NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581697 | 2mte | 25158 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1HT SER 1 0.732 -15.322 -8.584 2 H2 SER 1 2HT SER 1 -0.107 -16.677 -7.947 3 H3 SER 1 3HT SER 1 1.560 -16.456 -7.601 4 HA SER 1 HA SER 1 0.490 -15.800 -5.704 5 HB2 SER 1 2HB SER 1 0.821 -13.283 -5.760 6 HB3 SER 1 1HB SER 1 2.197 -14.236 -6.316 7 HG SER 1 HG SER 1 1.075 -12.316 -7.613 8 H THR 2 H THR 2 -0.954 -13.790 -4.881 9 HA THR 2 HA THR 2 -3.426 -13.692 -6.453 10 HB THR 2 HB THR 2 -3.837 -15.481 -4.913 11 HG1 THR 2 1HG THR 2 -4.998 -13.156 -3.786 12 HG21 THR 2 3HG2 THR 2 -3.234 -15.610 -2.754 13 HG22 THR 2 1HG2 THR 2 -3.494 -13.890 -2.464 14 HG23 THR 2 2HG2 THR 2 -2.016 -14.438 -3.254 15 H LYS 3 H LYS 3 -4.929 -12.007 -5.701 16 HA LYS 3 HA LYS 3 -3.641 -9.537 -5.385 17 HB2 LYS 3 2HB LYS 3 -6.165 -10.344 -6.076 18 HB3 LYS 3 1HB LYS 3 -6.443 -9.626 -4.496 19 HG2 LYS 3 2HG LYS 3 -6.682 -7.752 -5.718 20 HG3 LYS 3 1HG LYS 3 -4.923 -7.709 -5.582 21 HD2 LYS 3 2HD LYS 3 -5.720 -9.366 -7.798 22 HD3 LYS 3 1HD LYS 3 -6.458 -7.769 -7.929 23 HE2 LYS 3 2HE LYS 3 -3.976 -7.036 -7.261 24 HE3 LYS 3 1HE LYS 3 -3.609 -8.568 -8.051 25 HZ1 LYS 3 3HZ LYS 3 -5.444 -6.810 -9.461 26 HZ2 LYS 3 1HZ LYS 3 -4.188 -7.772 -10.061 27 HZ3 LYS 3 2HZ LYS 3 -3.844 -6.273 -9.357 28 H LEU 4 H LEU 4 -2.278 -9.710 -3.566 29 HA LEU 4 HA LEU 4 -3.590 -9.937 -0.956 30 HB2 LEU 4 2HB LEU 4 -0.922 -10.525 -1.999 31 HB3 LEU 4 1HB LEU 4 -0.888 -9.658 -0.475 32 HG LEU 4 HG LEU 4 -2.740 -11.615 0.034 33 HD11 LEU 4 1HD1 LEU 4 -2.226 -13.603 -0.953 34 HD12 LEU 4 2HD1 LEU 4 -0.556 -13.140 -1.275 35 HD13 LEU 4 3HD1 LEU 4 -1.855 -12.510 -2.286 36 HD21 LEU 4 3HD2 LEU 4 -0.842 -12.734 1.241 37 HD22 LEU 4 1HD2 LEU 4 -1.047 -11.017 1.589 38 HD23 LEU 4 2HD2 LEU 4 0.233 -11.549 0.498 39 H TYR 5 H TYR 5 -3.997 -8.202 0.242 40 HA TYR 5 HA TYR 5 -3.558 -5.587 -0.663 41 HB2 TYR 5 2HB TYR 5 -4.288 -6.686 2.050 42 HB3 TYR 5 1HB TYR 5 -4.173 -4.958 1.731 43 HD1 TYR 5 2HD TYR 5 -5.412 -4.538 -0.798 44 HD2 TYR 5 1HD TYR 5 -6.498 -7.312 2.240 45 HE1 TYR 5 2HE TYR 5 -7.726 -4.535 -1.630 46 HE2 TYR 5 1HE TYR 5 -8.814 -7.318 1.416 47 HH TYR 5 HH TYR 5 -9.703 -5.968 -1.580 48 H GLY 6 H GLY 6 -1.403 -5.210 -1.123 49 HA2 GLY 6 2HA GLY 6 0.298 -3.860 0.242 50 HA3 GLY 6 1HA GLY 6 0.478 -5.359 1.141 51 H ASP 7 H ASP 7 0.127 -6.968 -1.329 52 HA ASP 7 HA ASP 7 2.883 -7.081 -2.071 53 HB2 ASP 7 2HB ASP 7 1.319 -9.060 -1.907 54 HB3 ASP 7 1HB ASP 7 0.579 -8.508 -3.407 55 H VAL 8 H VAL 8 3.451 -5.176 -3.087 56 HA VAL 8 HA VAL 8 1.946 -4.249 -5.385 57 HB VAL 8 HB VAL 8 3.746 -2.499 -5.515 58 HG11 VAL 8 1HG1 VAL 8 1.549 -2.633 -3.936 59 HG12 VAL 8 2HG1 VAL 8 2.574 -1.207 -4.097 60 HG13 VAL 8 3HG1 VAL 8 2.803 -2.309 -2.739 61 HG21 VAL 8 3HG2 VAL 8 5.410 -2.311 -3.882 62 HG22 VAL 8 1HG2 VAL 8 5.417 -4.023 -4.308 63 HG23 VAL 8 2HG2 VAL 8 4.631 -3.487 -2.823 64 H ASN 9 H ASN 9 4.918 -5.972 -4.706 65 HA ASN 9 HA ASN 9 5.925 -5.782 -7.389 66 HB2 ASN 9 2HB ASN 9 7.579 -7.492 -6.591 67 HB3 ASN 9 1HB ASN 9 7.526 -6.024 -5.620 68 HD21 ASN 9 1HD2 ASN 9 8.155 -6.771 -3.690 69 HD22 ASN 9 2HD2 ASN 9 7.336 -8.000 -2.795 70 H ASP 10 H ASP 10 3.471 -7.591 -5.988 71 HA ASP 10 HA ASP 10 2.241 -9.377 -6.664 72 HB2 ASP 10 2HB ASP 10 2.531 -7.926 -8.847 73 HB3 ASP 10 1HB ASP 10 3.505 -9.296 -9.374 74 H ASP 11 H ASP 11 4.165 -10.290 -5.207 75 HA ASP 11 HA ASP 11 5.466 -12.452 -6.726 76 HB2 ASP 11 2HB ASP 11 7.134 -12.552 -4.945 77 HB3 ASP 11 1HB ASP 11 7.040 -10.924 -5.608 78 H GLY 12 H GLY 12 3.112 -11.741 -4.357 79 HA2 GLY 12 2HA GLY 12 1.538 -13.382 -3.655 80 HA3 GLY 12 1HA GLY 12 2.774 -14.614 -3.865 81 H LYS 13 H LYS 13 3.698 -11.712 -2.256 82 HA LYS 13 HA LYS 13 3.004 -12.496 0.389 83 HB2 LYS 13 2HB LYS 13 4.915 -14.090 -0.353 84 HB3 LYS 13 1HB LYS 13 5.952 -12.683 -0.157 85 HG2 LYS 13 2HG LYS 13 6.169 -13.553 1.917 86 HG3 LYS 13 1HG LYS 13 4.716 -12.590 2.194 87 HD2 LYS 13 2HD LYS 13 4.149 -14.657 3.090 88 HD3 LYS 13 1HD LYS 13 3.447 -14.723 1.472 89 HE2 LYS 13 2HE LYS 13 5.159 -16.120 0.671 90 HE3 LYS 13 1HE LYS 13 6.199 -15.776 2.053 91 HZ1 LYS 13 3HZ LYS 13 3.629 -16.994 2.654 92 HZ2 LYS 13 1HZ LYS 13 5.152 -17.287 3.330 93 HZ3 LYS 13 2HZ LYS 13 4.740 -17.978 1.842 94 H VAL 14 H VAL 14 3.498 -10.912 1.918 95 HA VAL 14 HA VAL 14 4.172 -8.326 0.773 96 HB VAL 14 HB VAL 14 3.369 -8.937 3.618 97 HG11 VAL 14 1HG1 VAL 14 2.868 -6.357 2.210 98 HG12 VAL 14 2HG1 VAL 14 4.480 -6.696 2.842 99 HG13 VAL 14 3HG1 VAL 14 3.091 -6.677 3.930 100 HG21 VAL 14 3HG2 VAL 14 1.581 -8.084 1.345 101 HG22 VAL 14 1HG2 VAL 14 1.099 -8.427 3.006 102 HG23 VAL 14 2HG2 VAL 14 1.687 -9.729 1.971 103 H ASN 15 H ASN 15 6.340 -8.147 0.504 104 HA ASN 15 HA ASN 15 8.058 -8.704 2.828 105 HB2 ASN 15 2HB ASN 15 8.417 -9.790 0.463 106 HB3 ASN 15 1HB ASN 15 9.148 -8.234 0.077 107 HD21 ASN 15 1HD2 ASN 15 10.510 -10.682 0.071 108 HD22 ASN 15 2HD2 ASN 15 11.715 -10.633 1.306 109 H SER 16 H SER 16 10.071 -7.244 2.854 110 HA SER 16 HA SER 16 9.257 -4.609 3.346 111 HB2 SER 16 2HB SER 16 11.365 -5.964 4.156 112 HB3 SER 16 1HB SER 16 12.126 -5.226 2.747 113 HG SER 16 HG SER 16 12.220 -4.050 4.838 114 H THR 17 H THR 17 10.566 -6.139 0.492 115 HA THR 17 HA THR 17 11.373 -3.873 -0.936 116 HB THR 17 HB THR 17 10.210 -6.450 -2.010 117 HG1 THR 17 1HG THR 17 12.920 -5.729 -1.610 118 HG21 THR 17 3HG2 THR 17 10.281 -4.851 -3.785 119 HG22 THR 17 1HG2 THR 17 11.616 -5.984 -3.989 120 HG23 THR 17 2HG2 THR 17 11.920 -4.370 -3.346 121 H ASP 18 H ASP 18 8.211 -5.240 -0.375 122 HA ASP 18 HA ASP 18 6.815 -3.885 -2.420 123 HB2 ASP 18 2HB ASP 18 5.858 -4.931 0.252 124 HB3 ASP 18 1HB ASP 18 4.795 -4.354 -1.028 125 H ALA 19 H ALA 19 7.838 -2.952 0.788 126 HA ALA 19 HA ALA 19 6.197 -0.654 1.043 127 HB1 ALA 19 1HB ALA 19 7.497 -0.105 2.937 128 HB2 ALA 19 2HB ALA 19 8.878 -1.033 2.352 129 HB3 ALA 19 3HB ALA 19 7.423 -1.867 2.896 130 H VAL 20 H VAL 20 9.677 -0.933 0.295 131 HA VAL 20 HA VAL 20 10.071 1.763 -0.346 132 HB VAL 20 HB VAL 20 11.925 0.212 0.093 133 HG11 VAL 20 1HG1 VAL 20 12.616 -1.463 -1.418 134 HG12 VAL 20 2HG1 VAL 20 11.514 -0.894 -2.672 135 HG13 VAL 20 3HG1 VAL 20 10.876 -1.678 -1.227 136 HG21 VAL 20 3HG2 VAL 20 12.391 1.182 -2.690 137 HG22 VAL 20 1HG2 VAL 20 13.439 1.275 -1.275 138 HG23 VAL 20 2HG2 VAL 20 12.047 2.348 -1.413 139 H ALA 21 H ALA 21 8.974 -0.948 -2.292 140 HA ALA 21 HA ALA 21 9.215 0.245 -4.827 141 HB1 ALA 21 1HB ALA 21 7.766 -2.067 -3.696 142 HB2 ALA 21 2HB ALA 21 8.832 -1.968 -5.097 143 HB3 ALA 21 3HB ALA 21 7.159 -1.425 -5.222 144 H LEU 22 H LEU 22 6.489 0.119 -2.553 145 HA LEU 22 HA LEU 22 4.645 1.504 -4.156 146 HB2 LEU 22 2HB LEU 22 4.198 0.175 -2.038 147 HB3 LEU 22 1HB LEU 22 4.739 1.585 -1.146 148 HG LEU 22 HG LEU 22 2.920 2.911 -2.062 149 HD11 LEU 22 1HD1 LEU 22 2.057 2.366 -4.031 150 HD12 LEU 22 2HD1 LEU 22 1.221 1.030 -3.240 151 HD13 LEU 22 3HD1 LEU 22 2.801 0.768 -3.977 152 HD21 LEU 22 3HD2 LEU 22 2.605 1.459 -0.030 153 HD22 LEU 22 1HD2 LEU 22 1.794 0.298 -1.082 154 HD23 LEU 22 2HD2 LEU 22 1.125 1.917 -0.873 155 H LYS 23 H LYS 23 7.082 2.624 -1.871 156 HA LYS 23 HA LYS 23 6.309 5.308 -1.705 157 HB2 LYS 23 2HB LYS 23 8.021 4.155 -0.272 158 HB3 LYS 23 1HB LYS 23 9.142 4.266 -1.621 159 HG2 LYS 23 2HG LYS 23 9.439 6.511 -1.374 160 HG3 LYS 23 1HG LYS 23 7.829 6.761 -0.697 161 HD2 LYS 23 2HD LYS 23 10.003 5.296 0.778 162 HD3 LYS 23 1HD LYS 23 9.781 7.043 0.898 163 HE2 LYS 23 2HE LYS 23 7.602 5.046 1.472 164 HE3 LYS 23 1HE LYS 23 8.686 5.678 2.709 165 HZ1 LYS 23 3HZ LYS 23 7.669 7.671 2.708 166 HZ2 LYS 23 1HZ LYS 23 6.357 6.793 2.098 167 HZ3 LYS 23 2HZ LYS 23 7.360 7.657 1.045 168 H ARG 24 H ARG 24 8.117 3.570 -4.143 169 HA ARG 24 HA ARG 24 9.128 5.848 -5.506 170 HB2 ARG 24 2HB ARG 24 8.580 3.128 -6.695 171 HB3 ARG 24 1HB ARG 24 9.732 4.329 -7.264 172 HG2 ARG 24 2HG ARG 24 10.208 3.564 -4.505 173 HG3 ARG 24 1HG ARG 24 10.274 2.192 -5.613 174 HD2 ARG 24 2HD ARG 24 11.647 4.511 -6.680 175 HD3 ARG 24 1HD ARG 24 12.295 4.031 -5.113 176 HE ARG 24 HE ARG 24 11.953 1.843 -6.945 177 HH11 ARG 24 1HH1 ARG 24 14.099 4.388 -5.894 178 HH12 ARG 24 2HH1 ARG 24 15.527 3.588 -6.459 179 HH21 ARG 24 1HH2 ARG 24 13.832 0.790 -7.689 180 HH22 ARG 24 2HH2 ARG 24 15.376 1.546 -7.479 181 H TYR 25 H TYR 25 6.239 3.846 -5.905 182 HA TYR 25 HA TYR 25 5.309 5.114 -8.259 183 HB2 TYR 25 2HB TYR 25 4.529 2.890 -7.524 184 HB3 TYR 25 1HB TYR 25 3.728 3.635 -6.145 185 HD1 TYR 25 1HD TYR 25 3.683 3.291 -9.814 186 HD2 TYR 25 2HD TYR 25 1.617 4.734 -6.387 187 HE1 TYR 25 1HE TYR 25 1.664 3.624 -11.179 188 HE2 TYR 25 2HE TYR 25 -0.408 5.070 -7.741 189 HH TYR 25 HH TYR 25 -0.947 3.705 -10.613 190 H VAL 26 H VAL 26 4.566 5.596 -4.823 191 HA VAL 26 HA VAL 26 2.594 7.557 -5.127 192 HB VAL 26 HB VAL 26 4.580 7.379 -2.858 193 HG11 VAL 26 1HG1 VAL 26 1.794 8.522 -3.025 194 HG12 VAL 26 2HG1 VAL 26 3.296 9.422 -2.813 195 HG13 VAL 26 3HG1 VAL 26 2.726 8.346 -1.538 196 HG21 VAL 26 3HG2 VAL 26 2.958 5.340 -3.685 197 HG22 VAL 26 1HG2 VAL 26 1.949 6.152 -2.488 198 HG23 VAL 26 2HG2 VAL 26 3.550 5.564 -2.039 199 H LEU 27 H LEU 27 6.082 7.753 -5.220 200 HA LEU 27 HA LEU 27 6.197 10.612 -5.054 201 HB2 LEU 27 2HB LEU 27 8.024 8.885 -4.472 202 HB3 LEU 27 1HB LEU 27 8.357 8.868 -6.193 203 HG LEU 27 HG LEU 27 8.687 11.377 -6.034 204 HD11 LEU 27 1HD1 LEU 27 9.274 11.096 -3.160 205 HD12 LEU 27 2HD1 LEU 27 7.568 11.171 -3.598 206 HD13 LEU 27 3HD1 LEU 27 8.656 12.477 -4.067 207 HD21 LEU 27 3HD2 LEU 27 10.922 10.940 -4.651 208 HD22 LEU 27 1HD2 LEU 27 10.693 10.350 -6.297 209 HD23 LEU 27 2HD2 LEU 27 10.444 9.265 -4.929 210 H ARG 28 H ARG 28 5.179 8.559 -7.473 211 HA ARG 28 HA ARG 28 4.694 8.837 -9.673 212 HB2 ARG 28 2HB ARG 28 5.279 11.737 -9.047 213 HB3 ARG 28 1HB ARG 28 4.548 11.163 -10.539 214 HG2 ARG 28 2HG ARG 28 2.592 10.449 -9.417 215 HG3 ARG 28 1HG ARG 28 3.346 10.650 -7.834 216 HD2 ARG 28 2HD ARG 28 3.154 12.941 -7.882 217 HD3 ARG 28 1HD ARG 28 3.136 13.008 -9.644 218 HE ARG 28 HE ARG 28 0.865 12.879 -9.560 219 HH11 ARG 28 1HH1 ARG 28 2.136 11.605 -6.570 220 HH12 ARG 28 2HH1 ARG 28 0.574 11.389 -5.853 221 HH21 ARG 28 1HH2 ARG 28 -1.189 12.597 -8.618 222 HH22 ARG 28 2HH2 ARG 28 -1.313 11.953 -7.015 223 H SER 29 H SER 29 7.229 7.935 -9.100 224 HA SER 29 HA SER 29 9.153 9.419 -10.670 225 HB2 SER 29 2HB SER 29 9.566 7.940 -8.538 226 HB3 SER 29 1HB SER 29 9.630 6.621 -9.708 227 HG SER 29 HG SER 29 11.692 7.571 -9.295 228 H GLY 30 H GLY 30 6.920 6.817 -11.137 229 HA2 GLY 30 2HA GLY 30 6.250 6.252 -13.377 230 HA3 GLY 30 1HA GLY 30 7.902 6.545 -13.895 231 H ILE 31 H ILE 31 6.807 4.660 -11.113 232 HA ILE 31 HA ILE 31 8.219 2.341 -12.229 233 HB ILE 31 HB ILE 31 8.950 3.086 -10.005 234 HG12 ILE 31 2HG1 ILE 31 7.504 0.427 -9.976 235 HG13 ILE 31 1HG1 ILE 31 9.126 0.711 -10.599 236 HG21 ILE 31 1HG2 ILE 31 7.566 3.618 -8.341 237 HG22 ILE 31 2HG2 ILE 31 6.626 2.139 -8.539 238 HG23 ILE 31 3HG2 ILE 31 6.273 3.549 -9.538 239 HD11 ILE 31 3HD1 ILE 31 8.309 1.149 -7.738 240 HD12 ILE 31 1HD1 ILE 31 9.941 1.214 -8.406 241 HD13 ILE 31 2HD1 ILE 31 9.071 -0.319 -8.351 242 H SER 32 H SER 32 7.156 0.559 -12.837 243 HA SER 32 HA SER 32 4.272 0.549 -12.746 244 HB2 SER 32 2HB SER 32 5.562 -0.202 -14.751 245 HB3 SER 32 1HB SER 32 6.133 -1.584 -13.817 246 HG SER 32 HG SER 32 3.794 -2.010 -13.487 247 H ILE 33 H ILE 33 3.110 -0.295 -11.158 248 HA ILE 33 HA ILE 33 4.088 -2.674 -9.763 249 HB ILE 33 HB ILE 33 3.469 -1.754 -7.571 250 HG12 ILE 33 2HG1 ILE 33 3.327 0.964 -8.864 251 HG13 ILE 33 1HG1 ILE 33 1.887 -0.021 -8.628 252 HG21 ILE 33 1HG2 ILE 33 5.798 -1.563 -8.645 253 HG22 ILE 33 2HG2 ILE 33 5.457 -0.602 -7.206 254 HG23 ILE 33 3HG2 ILE 33 5.424 0.154 -8.800 255 HD11 ILE 33 3HD1 ILE 33 3.671 0.498 -6.306 256 HD12 ILE 33 1HD1 ILE 33 1.930 0.221 -6.355 257 HD13 ILE 33 2HD1 ILE 33 2.590 1.773 -6.869 258 H ASN 34 H ASN 34 2.241 -3.283 -8.056 259 HA ASN 34 HA ASN 34 -0.175 -3.550 -9.668 260 HB2 ASN 34 2HB ASN 34 1.171 -5.150 -7.647 261 HB3 ASN 34 1HB ASN 34 -0.547 -4.977 -7.298 262 HD21 ASN 34 1HD2 ASN 34 -1.999 -6.070 -8.491 263 HD22 ASN 34 2HD2 ASN 34 -1.594 -7.122 -9.799 264 H THR 35 H THR 35 -1.011 -1.441 -9.420 265 HA THR 35 HA THR 35 -1.408 -0.087 -7.025 266 HB THR 35 HB THR 35 -3.216 1.130 -8.236 267 HG1 THR 35 1HG THR 35 -3.982 -0.654 -9.459 268 HG21 THR 35 3HG2 THR 35 -1.610 2.351 -9.125 269 HG22 THR 35 1HG2 THR 35 -1.446 1.186 -10.439 270 HG23 THR 35 2HG2 THR 35 -0.485 1.001 -8.972 271 H ASP 36 H ASP 36 -3.228 -2.691 -8.472 272 HA ASP 36 HA ASP 36 -5.606 -2.456 -6.998 273 HB2 ASP 36 2HB ASP 36 -4.724 -4.119 -8.971 274 HB3 ASP 36 1HB ASP 36 -4.710 -5.204 -7.584 275 H ASN 37 H ASN 37 -2.570 -4.126 -6.297 276 HA ASN 37 HA ASN 37 -3.533 -5.176 -3.792 277 HB2 ASN 37 2HB ASN 37 -1.023 -5.331 -5.366 278 HB3 ASN 37 1HB ASN 37 -0.865 -5.521 -3.623 279 HD21 ASN 37 1HD2 ASN 37 -0.198 -7.572 -5.254 280 HD22 ASN 37 2HD2 ASN 37 -1.351 -8.850 -5.114 281 H ALA 38 H ALA 38 -1.726 -2.400 -4.892 282 HA ALA 38 HA ALA 38 -0.563 -1.584 -2.486 283 HB1 ALA 38 1HB ALA 38 0.202 -0.480 -4.387 284 HB2 ALA 38 2HB ALA 38 -0.753 0.748 -3.557 285 HB3 ALA 38 3HB ALA 38 -1.429 -0.106 -4.944 286 H ASP 39 H ASP 39 -3.739 -0.796 -3.871 287 HA ASP 39 HA ASP 39 -4.578 0.992 -1.894 288 HB2 ASP 39 2HB ASP 39 -5.661 0.393 -4.172 289 HB3 ASP 39 1HB ASP 39 -6.481 -0.881 -3.276 290 H LEU 40 H LEU 40 -4.229 0.389 0.190 291 HA LEU 40 HA LEU 40 -5.110 -2.217 1.125 292 HB2 LEU 40 2HB LEU 40 -3.655 0.076 2.416 293 HB3 LEU 40 1HB LEU 40 -4.246 -1.285 3.350 294 HG LEU 40 HG LEU 40 -2.585 -1.965 1.001 295 HD11 LEU 40 1HD1 LEU 40 -0.571 -1.206 1.762 296 HD12 LEU 40 2HD1 LEU 40 -1.111 -1.116 3.438 297 HD13 LEU 40 3HD1 LEU 40 -1.610 0.120 2.284 298 HD21 LEU 40 3HD2 LEU 40 -2.061 -2.964 3.735 299 HD22 LEU 40 1HD2 LEU 40 -2.117 -3.829 2.199 300 HD23 LEU 40 2HD2 LEU 40 -3.616 -3.386 3.017 301 H ASN 41 H ASN 41 -6.176 1.088 1.145 302 HA ASN 41 HA ASN 41 -8.257 0.485 3.113 303 HB2 ASN 41 2HB ASN 41 -8.662 2.878 3.191 304 HB3 ASN 41 1HB ASN 41 -6.943 2.562 3.394 305 HD21 ASN 41 1HD2 ASN 41 -7.455 5.018 2.769 306 HD22 ASN 41 2HD2 ASN 41 -7.142 5.369 1.107 307 H GLU 42 H GLU 42 -7.833 0.486 -0.225 308 HA GLU 42 HA GLU 42 -9.266 0.219 -1.969 309 HB2 GLU 42 2HB GLU 42 -11.458 -0.017 0.095 310 HB3 GLU 42 1HB GLU 42 -11.483 -0.620 -1.557 311 HG2 GLU 42 2HG GLU 42 -9.393 -1.985 -0.748 312 HG3 GLU 42 1HG GLU 42 -10.102 -1.705 0.842 313 H ASP 43 H ASP 43 -8.624 2.826 -1.144 314 HA ASP 43 HA ASP 43 -10.993 4.447 -1.097 315 HB2 ASP 43 2HB ASP 43 -9.417 6.343 -1.263 316 HB3 ASP 43 1HB ASP 43 -8.967 5.218 0.016 317 H GLY 44 H GLY 44 -9.155 2.946 -3.553 318 HA2 GLY 44 2HA GLY 44 -10.085 2.856 -5.774 319 HA3 GLY 44 1HA GLY 44 -10.625 4.513 -5.566 320 H ARG 45 H ARG 45 -7.759 4.858 -4.288 321 HA ARG 45 HA ARG 45 -6.144 4.768 -6.703 322 HB2 ARG 45 2HB ARG 45 -5.557 7.164 -6.553 323 HB3 ARG 45 1HB ARG 45 -7.255 6.911 -6.934 324 HG2 ARG 45 2HG ARG 45 -7.740 7.239 -4.487 325 HG3 ARG 45 1HG ARG 45 -6.061 7.756 -4.310 326 HD2 ARG 45 2HD ARG 45 -7.370 9.720 -4.576 327 HD3 ARG 45 1HD ARG 45 -6.505 9.467 -6.091 328 HE ARG 45 HE ARG 45 -9.075 8.270 -6.176 329 HH11 ARG 45 1HH1 ARG 45 -7.462 11.359 -6.358 330 HH12 ARG 45 2HH1 ARG 45 -8.700 12.089 -7.323 331 HH21 ARG 45 1HH2 ARG 45 -10.705 9.229 -7.446 332 HH22 ARG 45 2HH2 ARG 45 -10.542 10.881 -7.941 333 H VAL 46 H VAL 46 -3.920 4.881 -6.322 334 HA VAL 46 HA VAL 46 -3.141 4.175 -3.629 335 HB VAL 46 HB VAL 46 -1.345 4.517 -6.031 336 HG11 VAL 46 1HG1 VAL 46 0.131 4.313 -4.315 337 HG12 VAL 46 2HG1 VAL 46 -0.193 2.600 -4.585 338 HG13 VAL 46 3HG1 VAL 46 -1.016 3.459 -3.283 339 HG21 VAL 46 3HG2 VAL 46 -2.693 2.881 -6.866 340 HG22 VAL 46 1HG2 VAL 46 -3.198 2.327 -5.270 341 HG23 VAL 46 2HG2 VAL 46 -1.613 1.876 -5.899 342 H ASN 47 H ASN 47 -3.211 5.955 -2.334 343 HA ASN 47 HA ASN 47 -1.580 8.271 -3.138 344 HB2 ASN 47 2HB ASN 47 -2.919 9.407 -1.232 345 HB3 ASN 47 1HB ASN 47 -3.730 9.110 -2.766 346 HD21 ASN 47 1HD2 ASN 47 -5.781 8.853 -2.144 347 HD22 ASN 47 2HD2 ASN 47 -6.335 7.658 -1.025 348 H SER 48 H SER 48 -0.957 9.512 -0.926 349 HA SER 48 HA SER 48 1.138 8.072 0.200 350 HB2 SER 48 2HB SER 48 -0.148 10.258 1.786 351 HB3 SER 48 1HB SER 48 1.562 9.949 1.483 352 HG SER 48 HG SER 48 1.116 10.587 -0.733 353 H THR 49 H THR 49 -2.217 8.262 1.113 354 HA THR 49 HA THR 49 -2.071 7.356 3.752 355 HB THR 49 HB THR 49 -4.282 6.589 1.857 356 HG1 THR 49 1HG THR 49 -4.198 8.687 1.429 357 HG21 THR 49 3HG2 THR 49 -5.555 6.261 3.648 358 HG22 THR 49 1HG2 THR 49 -4.960 7.714 4.451 359 HG23 THR 49 2HG2 THR 49 -4.043 6.211 4.554 360 H ASP 50 H ASP 50 -2.494 5.504 0.741 361 HA ASP 50 HA ASP 50 -2.589 2.959 1.883 362 HB2 ASP 50 2HB ASP 50 -1.499 3.776 -0.820 363 HB3 ASP 50 1HB ASP 50 -1.911 2.131 -0.347 364 H LEU 51 H LEU 51 0.166 4.925 0.869 365 HA LEU 51 HA LEU 51 2.188 3.022 1.166 366 HB2 LEU 51 2HB LEU 51 2.334 5.371 0.186 367 HB3 LEU 51 1HB LEU 51 2.491 5.942 1.836 368 HG LEU 51 HG LEU 51 4.655 5.715 0.636 369 HD11 LEU 51 1HD1 LEU 51 4.311 5.492 3.160 370 HD12 LEU 51 2HD1 LEU 51 5.831 4.905 2.484 371 HD13 LEU 51 3HD1 LEU 51 4.556 3.764 2.910 372 HD21 LEU 51 3HD2 LEU 51 3.616 3.314 -0.239 373 HD22 LEU 51 1HD2 LEU 51 4.818 2.830 0.957 374 HD23 LEU 51 2HD2 LEU 51 5.288 3.847 -0.405 375 H GLY 52 H GLY 52 0.997 5.420 3.516 376 HA2 GLY 52 2HA GLY 52 2.630 4.663 5.659 377 HA3 GLY 52 1HA GLY 52 1.067 5.451 5.811 378 H ILE 53 H ILE 53 -0.530 3.428 4.654 379 HA ILE 53 HA ILE 53 -0.970 1.775 6.898 380 HB ILE 53 HB ILE 53 -1.991 1.339 4.087 381 HG12 ILE 53 2HG1 ILE 53 -3.623 2.672 6.195 382 HG13 ILE 53 1HG1 ILE 53 -2.369 3.625 5.408 383 HG21 ILE 53 1HG2 ILE 53 -3.646 0.620 6.405 384 HG22 ILE 53 2HG2 ILE 53 -2.188 -0.350 6.199 385 HG23 ILE 53 3HG2 ILE 53 -3.368 -0.244 4.893 386 HD11 ILE 53 3HD1 ILE 53 -3.758 2.305 3.359 387 HD12 ILE 53 1HD1 ILE 53 -3.782 4.023 3.758 388 HD13 ILE 53 2HD1 ILE 53 -4.974 2.935 4.470 389 H LEU 54 H LEU 54 0.556 1.172 3.759 390 HA LEU 54 HA LEU 54 0.963 -1.594 4.099 391 HB2 LEU 54 2HB LEU 54 1.183 -0.122 1.983 392 HB3 LEU 54 1HB LEU 54 2.821 0.172 2.536 393 HG LEU 54 HG LEU 54 1.965 -2.663 2.349 394 HD11 LEU 54 1HD1 LEU 54 1.156 -1.306 0.274 395 HD12 LEU 54 2HD1 LEU 54 2.006 -2.836 0.056 396 HD13 LEU 54 3HD1 LEU 54 2.867 -1.310 -0.152 397 HD21 LEU 54 3HD2 LEU 54 4.476 -1.674 1.172 398 HD22 LEU 54 1HD2 LEU 54 4.180 -3.055 2.228 399 HD23 LEU 54 2HD2 LEU 54 4.300 -1.433 2.910 400 H LYS 55 H LYS 55 2.980 1.209 4.871 401 HA LYS 55 HA LYS 55 5.225 -0.285 5.750 402 HB2 LYS 55 2HB LYS 55 4.779 2.343 5.206 403 HB3 LYS 55 1HB LYS 55 4.800 2.370 6.963 404 HG2 LYS 55 2HG LYS 55 7.006 1.729 7.083 405 HG3 LYS 55 1HG LYS 55 6.981 0.968 5.491 406 HD2 LYS 55 2HD LYS 55 6.442 3.542 4.836 407 HD3 LYS 55 1HD LYS 55 7.478 3.769 6.246 408 HE2 LYS 55 2HE LYS 55 8.110 2.293 3.700 409 HE3 LYS 55 1HE LYS 55 8.891 3.741 4.334 410 HZ1 LYS 55 3HZ LYS 55 9.008 1.020 5.518 411 HZ2 LYS 55 1HZ LYS 55 9.694 2.404 6.210 412 HZ3 LYS 55 2HZ LYS 55 10.267 1.826 4.727 413 H ARG 56 H ARG 56 2.481 1.191 7.440 414 HA ARG 56 HA ARG 56 3.319 0.577 10.055 415 HB2 ARG 56 2HB ARG 56 0.849 1.487 8.753 416 HB3 ARG 56 1HB ARG 56 0.579 0.552 10.217 417 HG2 ARG 56 2HG ARG 56 2.183 2.092 11.379 418 HG3 ARG 56 1HG ARG 56 2.159 3.093 9.925 419 HD2 ARG 56 2HD ARG 56 -0.026 3.739 10.242 420 HD3 ARG 56 1HD ARG 56 -0.426 2.301 11.181 421 HE ARG 56 HE ARG 56 1.457 4.028 12.488 422 HH11 ARG 56 1HH1 ARG 56 -1.932 3.424 11.916 423 HH12 ARG 56 2HH1 ARG 56 -2.448 4.237 13.355 424 HH21 ARG 56 1HH2 ARG 56 0.780 5.097 14.382 425 HH22 ARG 56 2HH2 ARG 56 -0.909 5.187 14.754 426 H TYR 57 H TYR 57 1.526 -1.258 7.654 427 HA TYR 57 HA TYR 57 0.597 -3.333 9.284 428 HB2 TYR 57 2HB TYR 57 -0.115 -2.945 6.934 429 HB3 TYR 57 1HB TYR 57 1.455 -3.524 6.388 430 HD1 TYR 57 1HD TYR 57 -1.542 -4.575 8.336 431 HD2 TYR 57 2HD TYR 57 1.780 -5.795 5.973 432 HE1 TYR 57 1HE TYR 57 -2.403 -6.877 8.324 433 HE2 TYR 57 2HE TYR 57 0.926 -8.101 5.954 434 HH TYR 57 HH TYR 57 -0.566 -9.524 7.373 435 H ILE 58 H ILE 58 3.661 -2.948 7.552 436 HA ILE 58 HA ILE 58 4.665 -5.502 8.418 437 HB ILE 58 HB ILE 58 6.277 -3.238 7.251 438 HG12 ILE 58 2HG1 ILE 58 4.746 -5.408 5.798 439 HG13 ILE 58 1HG1 ILE 58 4.348 -3.693 5.800 440 HG21 ILE 58 1HG2 ILE 58 7.010 -5.915 6.467 441 HG22 ILE 58 2HG2 ILE 58 7.000 -5.750 8.223 442 HG23 ILE 58 3HG2 ILE 58 7.982 -4.664 7.241 443 HD11 ILE 58 3HD1 ILE 58 7.060 -4.467 4.902 444 HD12 ILE 58 1HD1 ILE 58 6.005 -3.169 4.345 445 HD13 ILE 58 2HD1 ILE 58 5.702 -4.830 3.838 446 H LEU 59 H LEU 59 4.493 -2.376 9.780 447 HA LEU 59 HA LEU 59 6.784 -2.808 11.533 448 HB2 LEU 59 2HB LEU 59 5.266 -0.514 10.603 449 HB3 LEU 59 1HB LEU 59 5.482 -0.483 12.343 450 HG LEU 59 HG LEU 59 7.985 -0.904 11.818 451 HD11 LEU 59 1HD1 LEU 59 8.347 0.444 9.534 452 HD12 LEU 59 2HD1 LEU 59 6.841 -0.387 9.146 453 HD13 LEU 59 3HD1 LEU 59 8.264 -1.316 9.614 454 HD21 LEU 59 3HD2 LEU 59 8.311 1.557 11.439 455 HD22 LEU 59 1HD2 LEU 59 7.278 1.139 12.805 456 HD23 LEU 59 2HD2 LEU 59 6.559 1.695 11.294 457 H LYS 60 H LYS 60 4.124 -4.320 11.618 458 HA LYS 60 HA LYS 60 2.717 -5.188 13.178 459 HB2 LYS 60 2HB LYS 60 5.043 -4.323 14.882 460 HB3 LYS 60 1HB LYS 60 3.644 -5.132 15.574 461 HG2 LYS 60 2HG LYS 60 4.033 -7.082 14.237 462 HG3 LYS 60 1HG LYS 60 5.324 -6.268 13.351 463 HD2 LYS 60 2HD LYS 60 6.830 -6.583 15.003 464 HD3 LYS 60 1HD LYS 60 5.638 -6.318 16.277 465 HE2 LYS 60 2HE LYS 60 6.228 -8.568 16.503 466 HE3 LYS 60 1HE LYS 60 4.701 -8.606 15.622 467 HZ1 LYS 60 3HZ LYS 60 6.557 -10.076 14.769 468 HZ2 LYS 60 1HZ LYS 60 7.311 -8.660 14.229 469 HZ3 LYS 60 2HZ LYS 60 5.791 -9.092 13.626 470 H GLU 61 H GLU 61 2.104 -2.579 12.347 471 HA GLU 61 HA GLU 61 1.182 -1.252 14.799 472 HB2 GLU 61 2HB GLU 61 1.334 -0.229 11.958 473 HB3 GLU 61 1HB GLU 61 0.744 0.696 13.332 474 HG2 GLU 61 2HG GLU 61 3.324 -0.351 13.951 475 HG3 GLU 61 1HG GLU 61 3.384 0.461 12.388 476 H ILE 62 H ILE 62 0.086 -2.721 11.812 477 HA ILE 62 HA ILE 62 -2.637 -2.759 12.890 478 HB ILE 62 HB ILE 62 -3.517 -2.304 10.569 479 HG12 ILE 62 2HG1 ILE 62 -0.707 -1.259 10.150 480 HG13 ILE 62 1HG1 ILE 62 -1.391 -2.682 9.370 481 HG21 ILE 62 1HG2 ILE 62 -3.839 -0.138 11.121 482 HG22 ILE 62 2HG2 ILE 62 -2.120 0.167 11.370 483 HG23 ILE 62 3HG2 ILE 62 -3.063 -0.636 12.624 484 HD11 ILE 62 3HD1 ILE 62 -2.528 -1.466 7.870 485 HD12 ILE 62 1HD1 ILE 62 -1.343 -0.224 8.276 486 HD13 ILE 62 2HD1 ILE 62 -2.934 -0.208 9.037 487 H ASP 63 H ASP 63 -3.519 -4.717 12.758 488 HA ASP 63 HA ASP 63 -2.278 -6.678 10.947 489 HB2 ASP 63 2HB ASP 63 -3.605 -6.986 13.635 490 HB3 ASP 63 1HB ASP 63 -3.350 -8.361 12.563 491 H THR 64 H THR 64 -5.246 -5.141 11.874 492 HA THR 64 HA THR 64 -6.962 -7.007 10.522 493 HB THR 64 HB THR 64 -7.580 -4.194 11.441 494 HG1 THR 64 1HG THR 64 -7.340 -5.016 13.345 495 HG21 THR 64 3HG2 THR 64 -9.860 -4.833 11.504 496 HG22 THR 64 1HG2 THR 64 -9.466 -6.508 11.119 497 HG23 THR 64 2HG2 THR 64 -9.241 -5.248 9.906 498 H LEU 65 H LEU 65 -7.075 -7.157 8.390 499 HA LEU 65 HA LEU 65 -7.093 -4.698 6.796 500 HB2 LEU 65 2HB LEU 65 -5.075 -6.791 6.743 501 HB3 LEU 65 1HB LEU 65 -5.814 -6.558 5.170 502 HG LEU 65 HG LEU 65 -5.188 -4.215 5.172 503 HD11 LEU 65 1HD1 LEU 65 -5.269 -3.402 7.310 504 HD12 LEU 65 2HD1 LEU 65 -3.527 -3.591 7.106 505 HD13 LEU 65 3HD1 LEU 65 -4.447 -4.805 7.994 506 HD21 LEU 65 3HD2 LEU 65 -2.972 -6.136 5.848 507 HD22 LEU 65 1HD2 LEU 65 -2.688 -4.495 5.268 508 HD23 LEU 65 2HD2 LEU 65 -3.543 -5.655 4.251 509 HA PRO 66 HA PRO 66 -7.064 -4.402 4.516 510 HB2 PRO 66 2HB PRO 66 -8.917 -3.273 2.933 511 HB3 PRO 66 1HB PRO 66 -8.021 -4.714 2.434 512 HG2 PRO 66 2HG PRO 66 -10.790 -4.495 3.549 513 HG3 PRO 66 1HG PRO 66 -10.200 -5.494 2.208 514 HD2 PRO 66 2HD PRO 66 -10.606 -6.438 4.747 515 HD3 PRO 66 1HD PRO 66 -9.434 -7.136 3.611 516 H TYR 67 H TYR 67 -7.359 -2.032 4.631 517 HA TYR 67 HA TYR 67 -8.709 -1.315 7.081 518 HB2 TYR 67 2HB TYR 67 -6.479 -0.429 6.646 519 HB3 TYR 67 1HB TYR 67 -7.047 0.334 5.165 520 HD1 TYR 67 2HD TYR 67 -7.816 0.291 8.824 521 HD2 TYR 67 1HD TYR 67 -7.598 2.575 5.242 522 HE1 TYR 67 2HE TYR 67 -8.373 2.323 10.092 523 HE2 TYR 67 1HE TYR 67 -8.153 4.613 6.499 524 HH TYR 67 HH TYR 67 -7.903 5.373 8.978 525 H LYS 68 H LYS 68 -10.231 0.403 7.283 526 HA LYS 68 HA LYS 68 -11.853 0.799 4.855 527 HB2 LYS 68 2HB LYS 68 -12.773 -0.482 6.931 528 HB3 LYS 68 1HB LYS 68 -12.934 1.121 7.634 529 HG2 LYS 68 2HG LYS 68 -14.915 1.257 6.651 530 HG3 LYS 68 1HG LYS 68 -14.068 1.346 5.105 531 HD2 LYS 68 2HD LYS 68 -14.552 -0.803 4.566 532 HD3 LYS 68 1HD LYS 68 -14.448 -1.357 6.239 533 HE2 LYS 68 2HE LYS 68 -16.683 0.462 5.666 534 HE3 LYS 68 1HE LYS 68 -16.760 -1.093 4.839 535 HZ1 LYS 68 3HZ LYS 68 -16.581 -2.215 6.945 536 HZ2 LYS 68 1HZ LYS 68 -17.866 -1.116 7.011 537 HZ3 LYS 68 2HZ LYS 68 -16.399 -0.748 7.766 538 H ASN 69 H ASN 69 -10.801 2.675 4.173 539 HA ASN 69 HA ASN 69 -10.844 4.972 5.992 540 HB2 ASN 69 2HB ASN 69 -8.768 4.294 4.631 541 HB3 ASN 69 1HB ASN 69 -9.630 4.934 3.234 542 HD21 ASN 69 1HD2 ASN 69 -9.337 6.991 2.787 543 HD22 ASN 69 2HD2 ASN 69 -8.755 8.196 3.879 Start of MODEL 2 1 H1 SER 1 1HT SER 1 0.081 -13.919 -9.713 2 H2 SER 1 2HT SER 1 0.218 -15.458 -8.965 3 H3 SER 1 3HT SER 1 1.598 -14.450 -9.118 4 HA SER 1 HA SER 1 0.554 -14.557 -6.889 5 HB2 SER 1 2HB SER 1 0.752 -12.035 -6.656 6 HB3 SER 1 1HB SER 1 2.130 -12.834 -7.412 7 HG SER 1 HG SER 1 0.152 -11.213 -8.571 8 H THR 2 H THR 2 -1.226 -14.253 -5.655 9 HA THR 2 HA THR 2 -3.715 -13.652 -7.045 10 HB THR 2 HB THR 2 -3.678 -15.647 -5.662 11 HG1 THR 2 1HG THR 2 -5.470 -15.148 -4.341 12 HG21 THR 2 3HG2 THR 2 -3.679 -14.452 -3.054 13 HG22 THR 2 1HG2 THR 2 -2.149 -14.150 -3.879 14 HG23 THR 2 2HG2 THR 2 -2.729 -15.803 -3.674 15 H LYS 3 H LYS 3 -5.382 -12.397 -5.706 16 HA LYS 3 HA LYS 3 -4.425 -9.767 -5.343 17 HB2 LYS 3 2HB LYS 3 -6.724 -10.262 -6.046 18 HB3 LYS 3 1HB LYS 3 -7.053 -10.987 -4.478 19 HG2 LYS 3 2HG LYS 3 -6.025 -8.292 -4.222 20 HG3 LYS 3 1HG LYS 3 -7.485 -8.356 -5.212 21 HD2 LYS 3 2HD LYS 3 -7.607 -9.986 -2.779 22 HD3 LYS 3 1HD LYS 3 -7.438 -8.255 -2.483 23 HE2 LYS 3 2HE LYS 3 -9.804 -9.150 -2.646 24 HE3 LYS 3 1HE LYS 3 -9.418 -7.756 -3.652 25 HZ1 LYS 3 3HZ LYS 3 -9.661 -8.937 -5.534 26 HZ2 LYS 3 1HZ LYS 3 -10.617 -9.944 -4.567 27 HZ3 LYS 3 2HZ LYS 3 -9.006 -10.354 -4.882 28 H LEU 4 H LEU 4 -2.742 -9.975 -3.792 29 HA LEU 4 HA LEU 4 -3.636 -10.504 -1.041 30 HB2 LEU 4 2HB LEU 4 -1.059 -10.832 -2.473 31 HB3 LEU 4 1HB LEU 4 -0.970 -10.352 -0.788 32 HG LEU 4 HG LEU 4 -2.675 -12.692 -1.504 33 HD11 LEU 4 1HD1 LEU 4 -0.742 -13.292 -2.711 34 HD12 LEU 4 2HD1 LEU 4 -0.620 -14.125 -1.161 35 HD13 LEU 4 3HD1 LEU 4 0.330 -12.668 -1.456 36 HD21 LEU 4 3HD2 LEU 4 -2.509 -13.198 0.692 37 HD22 LEU 4 1HD2 LEU 4 -2.149 -11.476 0.829 38 HD23 LEU 4 2HD2 LEU 4 -0.835 -12.654 0.803 39 H TYR 5 H TYR 5 -4.076 -8.777 0.146 40 HA TYR 5 HA TYR 5 -3.507 -6.136 -0.611 41 HB2 TYR 5 2HB TYR 5 -4.371 -7.370 1.998 42 HB3 TYR 5 1HB TYR 5 -4.110 -5.636 1.835 43 HD1 TYR 5 2HD TYR 5 -5.580 -4.289 0.400 44 HD2 TYR 5 1HD TYR 5 -6.287 -8.440 1.014 45 HE1 TYR 5 2HE TYR 5 -7.864 -4.024 -0.474 46 HE2 TYR 5 1HE TYR 5 -8.571 -8.186 0.141 47 HH TYR 5 HH TYR 5 -10.237 -6.483 -0.192 48 H GLY 6 H GLY 6 -1.498 -5.373 -0.811 49 HA2 GLY 6 2HA GLY 6 0.335 -4.345 0.402 50 HA3 GLY 6 1HA GLY 6 0.328 -5.733 1.480 51 H ASP 7 H ASP 7 0.007 -6.119 -1.966 52 HA ASP 7 HA ASP 7 2.813 -6.983 -2.140 53 HB2 ASP 7 2HB ASP 7 1.408 -8.977 -1.866 54 HB3 ASP 7 1HB ASP 7 0.421 -8.480 -3.236 55 H VAL 8 H VAL 8 3.271 -5.015 -3.203 56 HA VAL 8 HA VAL 8 1.887 -4.371 -5.663 57 HB VAL 8 HB VAL 8 3.505 -2.494 -5.816 58 HG11 VAL 8 1HG1 VAL 8 2.354 -1.201 -4.327 59 HG12 VAL 8 2HG1 VAL 8 2.470 -2.392 -3.032 60 HG13 VAL 8 3HG1 VAL 8 1.314 -2.625 -4.343 61 HG21 VAL 8 3HG2 VAL 8 5.345 -3.732 -4.627 62 HG22 VAL 8 1HG2 VAL 8 4.495 -3.395 -3.119 63 HG23 VAL 8 2HG2 VAL 8 5.100 -2.064 -4.106 64 H ASN 9 H ASN 9 4.860 -5.909 -4.674 65 HA ASN 9 HA ASN 9 6.078 -5.809 -7.272 66 HB2 ASN 9 2HB ASN 9 7.697 -7.454 -6.243 67 HB3 ASN 9 1HB ASN 9 7.559 -5.910 -5.406 68 HD21 ASN 9 1HD2 ASN 9 8.045 -6.474 -3.377 69 HD22 ASN 9 2HD2 ASN 9 7.179 -7.641 -2.442 70 H ASP 10 H ASP 10 3.577 -7.639 -5.987 71 HA ASP 10 HA ASP 10 2.454 -9.484 -6.690 72 HB2 ASP 10 2HB ASP 10 4.041 -8.892 -9.191 73 HB3 ASP 10 1HB ASP 10 2.817 -10.156 -9.106 74 H ASP 11 H ASP 11 4.247 -10.234 -4.983 75 HA ASP 11 HA ASP 11 5.729 -12.465 -6.212 76 HB2 ASP 11 2HB ASP 11 7.232 -12.385 -4.288 77 HB3 ASP 11 1HB ASP 11 7.167 -10.814 -5.080 78 H GLY 12 H GLY 12 3.160 -11.639 -4.119 79 HA2 GLY 12 2HA GLY 12 1.562 -13.213 -3.379 80 HA3 GLY 12 1HA GLY 12 2.784 -14.472 -3.490 81 H LYS 13 H LYS 13 3.719 -11.544 -1.948 82 HA LYS 13 HA LYS 13 2.880 -12.200 0.690 83 HB2 LYS 13 2HB LYS 13 4.845 -13.838 0.002 84 HB3 LYS 13 1HB LYS 13 5.841 -12.447 0.408 85 HG2 LYS 13 2HG LYS 13 5.804 -13.425 2.442 86 HG3 LYS 13 1HG LYS 13 4.310 -12.496 2.587 87 HD2 LYS 13 2HD LYS 13 4.048 -15.160 1.348 88 HD3 LYS 13 1HD LYS 13 4.487 -15.150 3.057 89 HE2 LYS 13 2HE LYS 13 2.495 -14.262 3.706 90 HE3 LYS 13 1HE LYS 13 2.287 -13.355 2.209 91 HZ1 LYS 13 3HZ LYS 13 0.778 -15.367 2.670 92 HZ2 LYS 13 1HZ LYS 13 2.111 -16.296 2.198 93 HZ3 LYS 13 2HZ LYS 13 1.430 -15.184 1.121 94 H VAL 14 H VAL 14 3.318 -10.560 2.161 95 HA VAL 14 HA VAL 14 4.082 -8.039 0.967 96 HB VAL 14 HB VAL 14 3.308 -8.565 3.837 97 HG11 VAL 14 1HG1 VAL 14 4.149 -6.440 3.871 98 HG12 VAL 14 2HG1 VAL 14 2.479 -6.097 3.416 99 HG13 VAL 14 3HG1 VAL 14 3.740 -6.131 2.184 100 HG21 VAL 14 3HG2 VAL 14 1.674 -8.329 1.372 101 HG22 VAL 14 1HG2 VAL 14 1.081 -7.526 2.826 102 HG23 VAL 14 2HG2 VAL 14 1.383 -9.263 2.839 103 H ASN 15 H ASN 15 6.248 -7.913 0.658 104 HA ASN 15 HA ASN 15 7.994 -8.427 2.970 105 HB2 ASN 15 2HB ASN 15 8.302 -9.604 0.651 106 HB3 ASN 15 1HB ASN 15 9.025 -8.070 0.176 107 HD21 ASN 15 1HD2 ASN 15 10.427 -10.448 0.178 108 HD22 ASN 15 2HD2 ASN 15 11.650 -10.380 1.395 109 H SER 16 H SER 16 10.033 -7.001 2.919 110 HA SER 16 HA SER 16 9.287 -4.344 3.360 111 HB2 SER 16 2HB SER 16 12.044 -5.464 2.792 112 HB3 SER 16 1HB SER 16 11.712 -3.876 3.482 113 HG SER 16 HG SER 16 11.140 -4.779 5.340 114 H THR 17 H THR 17 10.409 -5.967 0.483 115 HA THR 17 HA THR 17 11.200 -3.769 -1.048 116 HB THR 17 HB THR 17 9.891 -6.336 -1.968 117 HG1 THR 17 1HG THR 17 12.035 -7.023 -2.238 118 HG21 THR 17 3HG2 THR 17 11.020 -5.994 -4.080 119 HG22 THR 17 1HG2 THR 17 11.644 -4.444 -3.515 120 HG23 THR 17 2HG2 THR 17 9.910 -4.664 -3.748 121 H ASP 18 H ASP 18 8.029 -5.014 -0.278 122 HA ASP 18 HA ASP 18 6.567 -3.641 -2.265 123 HB2 ASP 18 2HB ASP 18 5.773 -4.703 0.449 124 HB3 ASP 18 1HB ASP 18 4.624 -3.986 -0.677 125 H ALA 19 H ALA 19 7.683 -2.739 0.941 126 HA ALA 19 HA ALA 19 6.167 -0.370 1.208 127 HB1 ALA 19 1HB ALA 19 7.231 -0.119 3.178 128 HB2 ALA 19 2HB ALA 19 8.822 -0.422 2.480 129 HB3 ALA 19 3HB ALA 19 7.759 -1.774 2.872 130 H VAL 20 H VAL 20 9.513 -0.914 0.122 131 HA VAL 20 HA VAL 20 10.013 1.814 -0.491 132 HB VAL 20 HB VAL 20 11.834 0.224 -0.061 133 HG11 VAL 20 1HG1 VAL 20 10.972 -1.769 -1.076 134 HG12 VAL 20 2HG1 VAL 20 12.495 -1.358 -1.864 135 HG13 VAL 20 3HG1 VAL 20 10.965 -1.011 -2.669 136 HG21 VAL 20 3HG2 VAL 20 11.849 2.280 -1.814 137 HG22 VAL 20 1HG2 VAL 20 12.419 0.969 -2.848 138 HG23 VAL 20 2HG2 VAL 20 13.284 1.359 -1.361 139 H ALA 21 H ALA 21 8.751 -0.902 -2.320 140 HA ALA 21 HA ALA 21 8.948 0.275 -4.889 141 HB1 ALA 21 1HB ALA 21 8.688 -2.097 -4.705 142 HB2 ALA 21 2HB ALA 21 7.274 -1.454 -5.539 143 HB3 ALA 21 3HB ALA 21 7.162 -1.914 -3.841 144 H LEU 22 H LEU 22 6.419 0.254 -2.424 145 HA LEU 22 HA LEU 22 4.409 1.486 -3.970 146 HB2 LEU 22 2HB LEU 22 3.985 0.301 -1.852 147 HB3 LEU 22 1HB LEU 22 4.823 1.572 -0.981 148 HG LEU 22 HG LEU 22 3.107 3.187 -1.684 149 HD11 LEU 22 1HD1 LEU 22 0.953 2.015 -2.582 150 HD12 LEU 22 2HD1 LEU 22 2.098 0.819 -3.187 151 HD13 LEU 22 3HD1 LEU 22 2.231 2.503 -3.694 152 HD21 LEU 22 3HD2 LEU 22 1.681 0.834 -0.502 153 HD22 LEU 22 1HD2 LEU 22 1.513 2.547 -0.119 154 HD23 LEU 22 2HD2 LEU 22 2.953 1.666 0.391 155 H LYS 23 H LYS 23 6.890 2.805 -1.816 156 HA LYS 23 HA LYS 23 6.080 5.485 -1.891 157 HB2 LYS 23 2HB LYS 23 7.753 4.555 -0.310 158 HB3 LYS 23 1HB LYS 23 8.899 4.419 -1.636 159 HG2 LYS 23 2HG LYS 23 8.502 6.953 -1.934 160 HG3 LYS 23 1HG LYS 23 7.849 6.874 -0.296 161 HD2 LYS 23 2HD LYS 23 10.599 5.949 -1.128 162 HD3 LYS 23 1HD LYS 23 10.237 7.478 -0.326 163 HE2 LYS 23 2HE LYS 23 9.324 4.926 0.919 164 HE3 LYS 23 1HE LYS 23 11.020 5.389 1.054 165 HZ1 LYS 23 3HZ LYS 23 8.657 6.614 2.249 166 HZ2 LYS 23 1HZ LYS 23 9.896 7.660 1.765 167 HZ3 LYS 23 2HZ LYS 23 10.216 6.429 2.880 168 H ARG 24 H ARG 24 8.294 3.676 -3.985 169 HA ARG 24 HA ARG 24 9.155 5.821 -5.568 170 HB2 ARG 24 2HB ARG 24 8.876 2.879 -6.179 171 HB3 ARG 24 1HB ARG 24 9.606 4.024 -7.295 172 HG2 ARG 24 2HG ARG 24 11.125 4.619 -5.268 173 HG3 ARG 24 1HG ARG 24 10.611 3.042 -4.665 174 HD2 ARG 24 2HD ARG 24 11.386 2.012 -6.761 175 HD3 ARG 24 1HD ARG 24 11.939 3.592 -7.318 176 HE ARG 24 HE ARG 24 13.286 1.845 -5.514 177 HH11 ARG 24 1HH1 ARG 24 12.766 5.212 -6.275 178 HH12 ARG 24 2HH1 ARG 24 14.268 5.728 -5.585 179 HH21 ARG 24 1HH2 ARG 24 15.261 2.524 -4.607 180 HH22 ARG 24 2HH2 ARG 24 15.685 4.203 -4.638 181 H TYR 25 H TYR 25 6.260 3.855 -5.695 182 HA TYR 25 HA TYR 25 5.417 4.785 -8.267 183 HB2 TYR 25 2HB TYR 25 4.679 2.615 -7.374 184 HB3 TYR 25 1HB TYR 25 3.831 3.440 -6.069 185 HD1 TYR 25 2HD TYR 25 3.901 2.972 -9.746 186 HD2 TYR 25 1HD TYR 25 1.645 4.273 -6.381 187 HE1 TYR 25 2HE TYR 25 1.894 3.126 -11.159 188 HE2 TYR 25 1HE TYR 25 -0.368 4.430 -7.785 189 HH TYR 25 HH TYR 25 -0.985 4.656 -10.102 190 H VAL 26 H VAL 26 4.610 5.597 -4.915 191 HA VAL 26 HA VAL 26 2.548 7.415 -5.426 192 HB VAL 26 HB VAL 26 4.534 7.664 -3.168 193 HG11 VAL 26 1HG1 VAL 26 1.660 8.182 -2.781 194 HG12 VAL 26 2HG1 VAL 26 2.516 9.326 -3.815 195 HG13 VAL 26 3HG1 VAL 26 3.066 9.049 -2.162 196 HG21 VAL 26 3HG2 VAL 26 3.928 5.623 -2.513 197 HG22 VAL 26 1HG2 VAL 26 2.693 5.514 -3.767 198 HG23 VAL 26 2HG2 VAL 26 2.317 6.279 -2.223 199 H LEU 27 H LEU 27 6.017 7.761 -5.609 200 HA LEU 27 HA LEU 27 5.902 10.644 -5.853 201 HB2 LEU 27 2HB LEU 27 7.803 9.112 -4.865 202 HB3 LEU 27 1HB LEU 27 8.328 9.045 -6.536 203 HG LEU 27 HG LEU 27 8.491 11.508 -6.572 204 HD11 LEU 27 1HD1 LEU 27 6.868 12.146 -4.956 205 HD12 LEU 27 2HD1 LEU 27 8.440 12.679 -4.358 206 HD13 LEU 27 3HD1 LEU 27 7.684 11.234 -3.686 207 HD21 LEU 27 3HD2 LEU 27 10.485 10.268 -6.097 208 HD22 LEU 27 1HD2 LEU 27 10.025 10.083 -4.404 209 HD23 LEU 27 2HD2 LEU 27 10.443 11.676 -5.036 210 H ARG 28 H ARG 28 5.460 8.019 -7.929 211 HA ARG 28 HA ARG 28 5.216 7.826 -10.177 212 HB2 ARG 28 2HB ARG 28 5.126 10.837 -9.962 213 HB3 ARG 28 1HB ARG 28 4.840 9.967 -11.463 214 HG2 ARG 28 2HG ARG 28 3.107 8.693 -9.846 215 HG3 ARG 28 1HG ARG 28 3.114 10.294 -9.103 216 HD2 ARG 28 2HD ARG 28 2.466 11.329 -11.151 217 HD3 ARG 28 1HD ARG 28 2.704 9.831 -12.050 218 HE ARG 28 HE ARG 28 0.764 9.541 -9.980 219 HH11 ARG 28 1HH1 ARG 28 1.240 10.736 -13.224 220 HH12 ARG 28 2HH1 ARG 28 -0.423 10.551 -13.671 221 HH21 ARG 28 1HH2 ARG 28 -1.423 9.295 -10.566 222 HH22 ARG 28 2HH2 ARG 28 -1.935 9.733 -12.162 223 H SER 29 H SER 29 7.670 7.270 -9.512 224 HA SER 29 HA SER 29 9.505 8.920 -11.084 225 HB2 SER 29 2HB SER 29 9.862 7.805 -8.649 226 HB3 SER 29 1HB SER 29 10.524 6.525 -9.666 227 HG SER 29 HG SER 29 11.310 9.252 -9.624 228 H GLY 30 H GLY 30 7.506 7.288 -12.403 229 HA2 GLY 30 2HA GLY 30 7.383 5.955 -14.266 230 HA3 GLY 30 1HA GLY 30 9.128 6.111 -14.391 231 H ILE 31 H ILE 31 7.262 4.708 -11.734 232 HA ILE 31 HA ILE 31 8.661 2.164 -12.225 233 HB ILE 31 HB ILE 31 9.184 3.205 -10.063 234 HG12 ILE 31 2HG1 ILE 31 7.523 0.926 -9.185 235 HG13 ILE 31 1HG1 ILE 31 8.605 0.590 -10.533 236 HG21 ILE 31 1HG2 ILE 31 6.249 2.874 -9.458 237 HG22 ILE 31 2HG2 ILE 31 7.074 4.406 -9.743 238 HG23 ILE 31 3HG2 ILE 31 7.489 3.430 -8.334 239 HD11 ILE 31 3HD1 ILE 31 9.979 2.039 -8.466 240 HD12 ILE 31 1HD1 ILE 31 10.348 0.468 -9.177 241 HD13 ILE 31 2HD1 ILE 31 9.224 0.581 -7.822 242 H SER 32 H SER 32 7.517 0.401 -12.712 243 HA SER 32 HA SER 32 4.600 0.610 -12.731 244 HB2 SER 32 2HB SER 32 6.346 -0.314 -14.630 245 HB3 SER 32 1HB SER 32 5.816 -1.815 -13.870 246 HG SER 32 HG SER 32 4.227 0.176 -15.105 247 H ILE 33 H ILE 33 3.389 -0.380 -11.261 248 HA ILE 33 HA ILE 33 4.328 -2.842 -10.010 249 HB ILE 33 HB ILE 33 3.919 -2.088 -7.755 250 HG12 ILE 33 2HG1 ILE 33 3.313 0.619 -8.972 251 HG13 ILE 33 1HG1 ILE 33 2.131 -0.465 -8.243 252 HG21 ILE 33 1HG2 ILE 33 5.809 -0.674 -7.449 253 HG22 ILE 33 2HG2 ILE 33 5.678 -0.045 -9.092 254 HG23 ILE 33 3HG2 ILE 33 6.152 -1.723 -8.825 255 HD11 ILE 33 3HD1 ILE 33 3.114 -0.186 -6.085 256 HD12 ILE 33 1HD1 ILE 33 2.840 1.410 -6.785 257 HD13 ILE 33 2HD1 ILE 33 4.464 0.723 -6.765 258 H ASN 34 H ASN 34 2.485 -3.427 -8.250 259 HA ASN 34 HA ASN 34 0.034 -3.552 -9.824 260 HB2 ASN 34 2HB ASN 34 1.095 -5.605 -8.780 261 HB3 ASN 34 1HB ASN 34 0.611 -4.961 -7.214 262 HD21 ASN 34 1HD2 ASN 34 -0.338 -7.335 -7.737 263 HD22 ASN 34 2HD2 ASN 34 -2.006 -7.294 -8.188 264 H THR 35 H THR 35 -1.248 -1.831 -9.550 265 HA THR 35 HA THR 35 -1.375 -0.365 -7.094 266 HB THR 35 HB THR 35 -3.071 0.982 -8.213 267 HG1 THR 35 1HG THR 35 -2.927 -0.889 -10.336 268 HG21 THR 35 3HG2 THR 35 -1.526 0.748 -10.603 269 HG22 THR 35 1HG2 THR 35 -0.472 0.632 -9.194 270 HG23 THR 35 2HG2 THR 35 -1.530 2.030 -9.393 271 H ASP 36 H ASP 36 -3.198 -2.929 -8.581 272 HA ASP 36 HA ASP 36 -5.572 -2.762 -7.108 273 HB2 ASP 36 2HB ASP 36 -4.279 -4.663 -8.863 274 HB3 ASP 36 1HB ASP 36 -5.065 -5.493 -7.525 275 H ASN 37 H ASN 37 -2.524 -4.422 -6.436 276 HA ASN 37 HA ASN 37 -3.458 -5.448 -3.907 277 HB2 ASN 37 2HB ASN 37 -0.745 -5.449 -5.237 278 HB3 ASN 37 1HB ASN 37 -1.051 -6.169 -3.660 279 HD21 ASN 37 1HD2 ASN 37 -0.079 -7.874 -5.307 280 HD22 ASN 37 2HD2 ASN 37 -1.266 -8.925 -5.992 281 H ALA 38 H ALA 38 -1.460 -2.795 -5.053 282 HA ALA 38 HA ALA 38 -0.332 -1.977 -2.638 283 HB1 ALA 38 1HB ALA 38 0.095 -1.153 -5.053 284 HB2 ALA 38 2HB ALA 38 0.270 -0.015 -3.718 285 HB3 ALA 38 3HB ALA 38 -1.188 0.007 -4.709 286 H ASP 39 H ASP 39 -3.382 -0.958 -4.162 287 HA ASP 39 HA ASP 39 -4.159 0.889 -2.211 288 HB2 ASP 39 2HB ASP 39 -5.175 0.389 -4.546 289 HB3 ASP 39 1HB ASP 39 -6.147 -0.808 -3.696 290 H LEU 40 H LEU 40 -3.959 0.247 -0.118 291 HA LEU 40 HA LEU 40 -5.092 -2.284 0.747 292 HB2 LEU 40 2HB LEU 40 -3.617 -0.118 2.238 293 HB3 LEU 40 1HB LEU 40 -4.208 -1.590 2.983 294 HG LEU 40 HG LEU 40 -2.095 -1.385 0.837 295 HD11 LEU 40 1HD1 LEU 40 -2.034 -2.058 3.765 296 HD12 LEU 40 2HD1 LEU 40 -1.152 -0.790 2.914 297 HD13 LEU 40 3HD1 LEU 40 -0.726 -2.482 2.660 298 HD21 LEU 40 3HD2 LEU 40 -3.704 -3.661 1.823 299 HD22 LEU 40 1HD2 LEU 40 -1.973 -3.937 1.625 300 HD23 LEU 40 2HD2 LEU 40 -2.944 -3.401 0.254 301 H ASN 41 H ASN 41 -5.956 1.064 0.679 302 HA ASN 41 HA ASN 41 -8.141 0.599 2.578 303 HB2 ASN 41 2HB ASN 41 -8.384 3.033 2.649 304 HB3 ASN 41 1HB ASN 41 -6.728 2.557 3.016 305 HD21 ASN 41 1HD2 ASN 41 -7.120 5.090 2.336 306 HD22 ASN 41 2HD2 ASN 41 -6.546 5.410 0.738 307 H GLU 42 H GLU 42 -7.556 0.645 -0.734 308 HA GLU 42 HA GLU 42 -8.906 0.592 -2.562 309 HB2 GLU 42 2HB GLU 42 -11.077 0.195 -0.496 310 HB3 GLU 42 1HB GLU 42 -11.269 -0.055 -2.225 311 HG2 GLU 42 2HG GLU 42 -9.087 -1.607 -1.626 312 HG3 GLU 42 1HG GLU 42 -10.109 -1.790 -0.200 313 H ASP 43 H ASP 43 -8.226 3.115 -1.510 314 HA ASP 43 HA ASP 43 -10.544 4.807 -1.472 315 HB2 ASP 43 2HB ASP 43 -8.827 6.653 -1.527 316 HB3 ASP 43 1HB ASP 43 -8.656 5.520 -0.189 317 H GLY 44 H GLY 44 -8.613 3.425 -3.927 318 HA2 GLY 44 2HA GLY 44 -9.411 3.520 -6.197 319 HA3 GLY 44 1HA GLY 44 -9.928 5.171 -5.899 320 H ARG 45 H ARG 45 -7.134 5.354 -4.442 321 HA ARG 45 HA ARG 45 -5.351 5.345 -6.724 322 HB2 ARG 45 2HB ARG 45 -4.787 7.737 -6.519 323 HB3 ARG 45 1HB ARG 45 -6.455 7.488 -7.018 324 HG2 ARG 45 2HG ARG 45 -7.177 7.875 -4.693 325 HG3 ARG 45 1HG ARG 45 -5.500 8.209 -4.255 326 HD2 ARG 45 2HD ARG 45 -6.479 9.733 -6.559 327 HD3 ARG 45 1HD ARG 45 -7.320 10.081 -5.050 328 HE ARG 45 HE ARG 45 -4.585 10.720 -5.712 329 HH11 ARG 45 1HH1 ARG 45 -6.905 10.272 -3.141 330 HH12 ARG 45 2HH1 ARG 45 -6.023 11.238 -2.008 331 HH21 ARG 45 1HH2 ARG 45 -3.424 11.991 -4.220 332 HH22 ARG 45 2HH2 ARG 45 -4.047 12.214 -2.620 333 H VAL 46 H VAL 46 -3.150 5.585 -6.165 334 HA VAL 46 HA VAL 46 -2.566 4.761 -3.457 335 HB VAL 46 HB VAL 46 -0.592 5.316 -5.672 336 HG11 VAL 46 1HG1 VAL 46 -0.449 4.123 -2.967 337 HG12 VAL 46 2HG1 VAL 46 0.747 5.063 -3.859 338 HG13 VAL 46 3HG1 VAL 46 0.509 3.356 -4.235 339 HG21 VAL 46 3HG2 VAL 46 -2.084 2.777 -5.022 340 HG22 VAL 46 1HG2 VAL 46 -0.685 2.866 -6.092 341 HG23 VAL 46 2HG2 VAL 46 -2.173 3.713 -6.514 342 H ASN 47 H ASN 47 -2.824 6.462 -2.079 343 HA ASN 47 HA ASN 47 -1.295 8.911 -2.642 344 HB2 ASN 47 2HB ASN 47 -2.760 9.862 -0.767 345 HB3 ASN 47 1HB ASN 47 -3.550 9.510 -2.301 346 HD21 ASN 47 1HD2 ASN 47 -5.519 8.821 -1.899 347 HD22 ASN 47 2HD2 ASN 47 -5.967 7.655 -0.705 348 H SER 48 H SER 48 -0.830 10.027 -0.324 349 HA SER 48 HA SER 48 1.326 8.649 0.770 350 HB2 SER 48 2HB SER 48 0.563 11.178 0.942 351 HB3 SER 48 1HB SER 48 -0.146 10.628 2.461 352 HG SER 48 HG SER 48 2.566 10.597 1.669 353 H THR 49 H THR 49 -2.059 8.567 1.594 354 HA THR 49 HA THR 49 -1.904 7.468 4.164 355 HB THR 49 HB THR 49 -4.067 6.646 2.261 356 HG1 THR 49 1HG THR 49 -4.046 8.725 1.727 357 HG21 THR 49 3HG2 THR 49 -5.438 6.566 4.059 358 HG22 THR 49 1HG2 THR 49 -4.585 7.855 4.910 359 HG23 THR 49 2HG2 THR 49 -3.907 6.227 4.868 360 H ASP 50 H ASP 50 -2.109 5.874 0.992 361 HA ASP 50 HA ASP 50 -2.139 3.232 1.895 362 HB2 ASP 50 2HB ASP 50 -1.191 4.505 -0.661 363 HB3 ASP 50 1HB ASP 50 -1.052 2.770 -0.402 364 H LEU 51 H LEU 51 0.580 5.369 1.129 365 HA LEU 51 HA LEU 51 2.653 3.525 1.425 366 HB2 LEU 51 2HB LEU 51 2.819 5.875 0.538 367 HB3 LEU 51 1HB LEU 51 2.765 6.439 2.197 368 HG LEU 51 HG LEU 51 4.844 4.427 1.539 369 HD11 LEU 51 1HD1 LEU 51 5.533 7.242 0.933 370 HD12 LEU 51 2HD1 LEU 51 4.618 6.353 -0.284 371 HD13 LEU 51 3HD1 LEU 51 6.179 5.743 0.264 372 HD21 LEU 51 3HD2 LEU 51 4.392 6.656 3.432 373 HD22 LEU 51 1HD2 LEU 51 6.058 6.346 2.942 374 HD23 LEU 51 2HD2 LEU 51 5.108 5.067 3.697 375 H GLY 52 H GLY 52 0.818 5.331 3.802 376 HA2 GLY 52 2HA GLY 52 2.534 4.639 6.006 377 HA3 GLY 52 1HA GLY 52 0.948 5.391 6.113 378 H ILE 53 H ILE 53 -0.388 3.329 4.573 379 HA ILE 53 HA ILE 53 -0.994 1.536 6.700 380 HB ILE 53 HB ILE 53 -1.805 1.328 3.795 381 HG12 ILE 53 2HG1 ILE 53 -3.590 2.412 5.932 382 HG13 ILE 53 1HG1 ILE 53 -2.356 3.467 5.254 383 HG21 ILE 53 1HG2 ILE 53 -2.099 -0.541 5.777 384 HG22 ILE 53 2HG2 ILE 53 -3.107 -0.409 4.336 385 HG23 ILE 53 3HG2 ILE 53 -3.629 0.334 5.848 386 HD11 ILE 53 3HD1 ILE 53 -4.904 2.797 4.204 387 HD12 ILE 53 1HD1 ILE 53 -3.666 2.210 3.094 388 HD13 ILE 53 2HD1 ILE 53 -3.698 3.910 3.559 389 H LEU 54 H LEU 54 0.920 1.314 3.756 390 HA LEU 54 HA LEU 54 1.328 -1.485 3.815 391 HB2 LEU 54 2HB LEU 54 1.843 0.426 2.004 392 HB3 LEU 54 1HB LEU 54 3.446 0.266 2.697 393 HG LEU 54 HG LEU 54 3.150 -1.117 0.683 394 HD11 LEU 54 1HD1 LEU 54 4.103 -3.131 1.562 395 HD12 LEU 54 2HD1 LEU 54 3.431 -2.808 3.160 396 HD13 LEU 54 3HD1 LEU 54 4.701 -1.771 2.512 397 HD21 LEU 54 3HD2 LEU 54 0.642 -1.571 1.522 398 HD22 LEU 54 1HD2 LEU 54 1.419 -3.046 2.096 399 HD23 LEU 54 2HD2 LEU 54 1.490 -2.620 0.386 400 H LYS 55 H LYS 55 3.203 1.246 5.075 401 HA LYS 55 HA LYS 55 5.315 -0.368 6.106 402 HB2 LYS 55 2HB LYS 55 4.990 2.309 5.644 403 HB3 LYS 55 1HB LYS 55 4.865 2.238 7.397 404 HG2 LYS 55 2HG LYS 55 7.026 1.091 7.497 405 HG3 LYS 55 1HG LYS 55 7.151 1.189 5.740 406 HD2 LYS 55 2HD LYS 55 8.260 3.102 6.142 407 HD3 LYS 55 1HD LYS 55 6.653 3.785 6.392 408 HE2 LYS 55 2HE LYS 55 7.103 2.800 8.844 409 HE3 LYS 55 1HE LYS 55 8.766 3.115 8.351 410 HZ1 LYS 55 3HZ LYS 55 6.580 5.122 8.256 411 HZ2 LYS 55 1HZ LYS 55 8.220 5.397 7.942 412 HZ3 LYS 55 2HZ LYS 55 7.714 5.001 9.506 413 H ARG 56 H ARG 56 2.354 0.997 7.442 414 HA ARG 56 HA ARG 56 2.837 0.381 10.145 415 HB2 ARG 56 2HB ARG 56 0.358 0.888 8.533 416 HB3 ARG 56 1HB ARG 56 0.231 0.371 10.208 417 HG2 ARG 56 2HG ARG 56 1.458 2.306 10.948 418 HG3 ARG 56 1HG ARG 56 1.746 2.800 9.278 419 HD2 ARG 56 2HD ARG 56 -0.519 3.322 8.929 420 HD3 ARG 56 1HD ARG 56 -1.029 2.442 10.369 421 HE ARG 56 HE ARG 56 0.715 4.611 10.997 422 HH11 ARG 56 1HH1 ARG 56 -2.589 3.809 10.211 423 HH12 ARG 56 2HH1 ARG 56 -3.249 5.191 11.022 424 HH21 ARG 56 1HH2 ARG 56 -0.150 6.428 12.063 425 HH22 ARG 56 2HH2 ARG 56 -1.864 6.678 12.072 426 H TYR 57 H TYR 57 1.442 -1.480 7.503 427 HA TYR 57 HA TYR 57 0.488 -3.644 9.037 428 HB2 TYR 57 2HB TYR 57 -0.078 -3.119 6.623 429 HB3 TYR 57 1HB TYR 57 1.485 -3.803 6.191 430 HD1 TYR 57 1HD TYR 57 -1.433 -4.763 8.330 431 HD2 TYR 57 2HD TYR 57 1.426 -5.969 5.421 432 HE1 TYR 57 1HE TYR 57 -2.439 -7.007 8.280 433 HE2 TYR 57 2HE TYR 57 0.428 -8.216 5.361 434 HH TYR 57 HH TYR 57 -2.584 -8.929 6.820 435 H ILE 58 H ILE 58 3.605 -2.985 7.525 436 HA ILE 58 HA ILE 58 4.718 -5.542 8.197 437 HB ILE 58 HB ILE 58 6.221 -3.038 7.439 438 HG12 ILE 58 2HG1 ILE 58 5.359 -5.202 5.529 439 HG13 ILE 58 1HG1 ILE 58 4.342 -3.800 5.846 440 HG21 ILE 58 1HG2 ILE 58 6.969 -5.928 7.044 441 HG22 ILE 58 2HG2 ILE 58 7.505 -4.948 8.408 442 HG23 ILE 58 3HG2 ILE 58 7.978 -4.509 6.768 443 HD11 ILE 58 3HD1 ILE 58 5.553 -3.314 3.892 444 HD12 ILE 58 1HD1 ILE 58 7.070 -3.869 4.600 445 HD13 ILE 58 2HD1 ILE 58 6.319 -2.381 5.179 446 H LEU 59 H LEU 59 4.394 -2.483 9.780 447 HA LEU 59 HA LEU 59 6.469 -3.040 11.728 448 HB2 LEU 59 2HB LEU 59 5.335 -0.728 10.743 449 HB3 LEU 59 1HB LEU 59 4.627 -0.858 12.340 450 HG LEU 59 HG LEU 59 7.189 -1.287 12.995 451 HD11 LEU 59 1HD1 LEU 59 8.741 -0.413 11.611 452 HD12 LEU 59 2HD1 LEU 59 7.653 0.834 10.999 453 HD13 LEU 59 3HD1 LEU 59 7.546 -0.813 10.378 454 HD21 LEU 59 3HD2 LEU 59 5.728 0.402 13.967 455 HD22 LEU 59 1HD2 LEU 59 5.928 1.416 12.538 456 HD23 LEU 59 2HD2 LEU 59 7.307 1.087 13.587 457 H LYS 60 H LYS 60 3.584 -4.383 11.330 458 HA LYS 60 HA LYS 60 2.120 -5.486 12.671 459 HB2 LYS 60 2HB LYS 60 4.546 -5.788 13.872 460 HB3 LYS 60 1HB LYS 60 3.621 -5.048 15.170 461 HG2 LYS 60 2HG LYS 60 3.280 -7.286 15.556 462 HG3 LYS 60 1HG LYS 60 1.858 -6.865 14.599 463 HD2 LYS 60 2HD LYS 60 4.168 -7.670 12.993 464 HD3 LYS 60 1HD LYS 60 3.573 -8.936 14.070 465 HE2 LYS 60 2HE LYS 60 1.902 -7.381 12.097 466 HE3 LYS 60 1HE LYS 60 2.507 -9.019 11.857 467 HZ1 LYS 60 3HZ LYS 60 0.486 -8.085 13.803 468 HZ2 LYS 60 1HZ LYS 60 1.263 -9.579 13.971 469 HZ3 LYS 60 2HZ LYS 60 0.319 -9.264 12.603 470 H GLU 61 H GLU 61 1.864 -2.630 12.304 471 HA GLU 61 HA GLU 61 0.804 -1.692 14.861 472 HB2 GLU 61 2HB GLU 61 1.235 -0.307 12.212 473 HB3 GLU 61 1HB GLU 61 0.460 0.460 13.592 474 HG2 GLU 61 2HG GLU 61 3.174 -0.756 13.869 475 HG3 GLU 61 1HG GLU 61 2.976 0.848 13.164 476 H ILE 62 H ILE 62 -0.227 -2.699 11.677 477 HA ILE 62 HA ILE 62 -3.024 -2.488 12.576 478 HB ILE 62 HB ILE 62 -3.618 -2.166 10.135 479 HG12 ILE 62 2HG1 ILE 62 -0.709 -1.360 9.924 480 HG13 ILE 62 1HG1 ILE 62 -1.369 -2.861 9.281 481 HG21 ILE 62 1HG2 ILE 62 -2.603 0.322 10.293 482 HG22 ILE 62 2HG2 ILE 62 -2.413 -0.198 11.967 483 HG23 ILE 62 3HG2 ILE 62 -4.006 -0.223 11.211 484 HD11 ILE 62 3HD1 ILE 62 -1.699 -1.746 7.394 485 HD12 ILE 62 1HD1 ILE 62 -1.408 -0.191 8.174 486 HD13 ILE 62 2HD1 ILE 62 -3.015 -0.916 8.225 487 H ASP 63 H ASP 63 -4.103 -4.349 12.538 488 HA ASP 63 HA ASP 63 -2.967 -6.582 10.991 489 HB2 ASP 63 2HB ASP 63 -3.371 -6.506 13.671 490 HB3 ASP 63 1HB ASP 63 -4.907 -7.184 13.139 491 H THR 64 H THR 64 -5.841 -4.730 11.667 492 HA THR 64 HA THR 64 -7.590 -6.507 10.214 493 HB THR 64 HB THR 64 -8.083 -3.698 11.219 494 HG1 THR 64 1HG THR 64 -7.568 -5.379 12.812 495 HG21 THR 64 3HG2 THR 64 -10.149 -3.807 10.446 496 HG22 THR 64 1HG2 THR 64 -10.385 -5.411 11.142 497 HG23 THR 64 2HG2 THR 64 -9.674 -5.242 9.536 498 H LEU 65 H LEU 65 -7.764 -6.559 8.084 499 HA LEU 65 HA LEU 65 -7.432 -4.082 6.556 500 HB2 LEU 65 2HB LEU 65 -5.692 -6.410 6.484 501 HB3 LEU 65 1HB LEU 65 -6.360 -6.046 4.905 502 HG LEU 65 HG LEU 65 -5.437 -3.809 4.971 503 HD11 LEU 65 1HD1 LEU 65 -4.969 -4.498 7.809 504 HD12 LEU 65 2HD1 LEU 65 -5.419 -2.961 7.070 505 HD13 LEU 65 3HD1 LEU 65 -3.746 -3.513 7.007 506 HD21 LEU 65 3HD2 LEU 65 -3.496 -5.995 5.685 507 HD22 LEU 65 1HD2 LEU 65 -3.000 -4.397 5.130 508 HD23 LEU 65 2HD2 LEU 65 -3.958 -5.438 4.077 509 HA PRO 66 HA PRO 66 -7.253 -3.841 4.190 510 HB2 PRO 66 2HB PRO 66 -8.917 -2.413 2.623 511 HB3 PRO 66 1HB PRO 66 -8.231 -3.958 2.104 512 HG2 PRO 66 2HG PRO 66 -10.948 -3.367 3.211 513 HG3 PRO 66 1HG PRO 66 -10.496 -4.418 1.856 514 HD2 PRO 66 2HD PRO 66 -11.057 -5.352 4.357 515 HD3 PRO 66 1HD PRO 66 -9.953 -6.169 3.234 516 H TYR 67 H TYR 67 -7.201 -1.434 4.262 517 HA TYR 67 HA TYR 67 -8.152 -0.506 6.778 518 HB2 TYR 67 2HB TYR 67 -6.008 0.226 5.762 519 HB3 TYR 67 1HB TYR 67 -6.914 1.080 4.518 520 HD1 TYR 67 1HD TYR 67 -6.987 0.860 8.256 521 HD2 TYR 67 2HD TYR 67 -7.011 3.357 4.813 522 HE1 TYR 67 1HE TYR 67 -7.086 2.846 9.704 523 HE2 TYR 67 2HE TYR 67 -7.109 5.350 6.250 524 HH TYR 67 HH TYR 67 -6.461 5.941 8.624 525 H LYS 68 H LYS 68 -9.882 0.702 7.290 526 HA LYS 68 HA LYS 68 -11.428 1.974 5.156 527 HB2 LYS 68 2HB LYS 68 -12.273 -0.333 6.769 528 HB3 LYS 68 1HB LYS 68 -13.431 0.991 6.749 529 HG2 LYS 68 2HG LYS 68 -14.156 -0.146 4.930 530 HG3 LYS 68 1HG LYS 68 -12.950 0.878 4.146 531 HD2 LYS 68 2HD LYS 68 -12.089 -1.025 3.344 532 HD3 LYS 68 1HD LYS 68 -11.471 -1.287 4.976 533 HE2 LYS 68 2HE LYS 68 -14.262 -2.110 4.539 534 HE3 LYS 68 1HE LYS 68 -13.058 -3.029 3.638 535 HZ1 LYS 68 3HZ LYS 68 -13.148 -2.635 6.578 536 HZ2 LYS 68 1HZ LYS 68 -11.885 -3.405 5.758 537 HZ3 LYS 68 2HZ LYS 68 -13.438 -4.075 5.741 538 H ASN 69 H ASN 69 -10.378 3.836 6.185 539 HA ASN 69 HA ASN 69 -10.777 4.596 8.843 540 HB2 ASN 69 2HB ASN 69 -10.258 6.881 8.081 541 HB3 ASN 69 1HB ASN 69 -9.147 5.699 7.395 542 HD21 ASN 69 1HD2 ASN 69 -8.809 5.796 5.296 543 HD22 ASN 69 2HD2 ASN 69 -9.821 6.586 4.140 Start of MODEL 3 1 H1 SER 1 1HT SER 1 -0.164 -13.129 -10.318 2 H2 SER 1 2HT SER 1 1.319 -12.675 -9.584 3 H3 SER 1 3HT SER 1 -0.060 -11.664 -9.436 4 HA SER 1 HA SER 1 -0.010 -14.422 -8.445 5 HB2 SER 1 2HB SER 1 1.220 -11.954 -7.354 6 HB3 SER 1 1HB SER 1 0.290 -12.925 -6.213 7 HG SER 1 HG SER 1 1.724 -14.494 -6.355 8 H THR 2 H THR 2 -1.451 -14.325 -6.353 9 HA THR 2 HA THR 2 -4.043 -13.451 -7.229 10 HB THR 2 HB THR 2 -3.952 -15.540 -6.087 11 HG1 THR 2 1HG THR 2 -4.961 -13.684 -4.203 12 HG21 THR 2 3HG2 THR 2 -3.368 -15.172 -3.459 13 HG22 THR 2 1HG2 THR 2 -2.168 -14.149 -4.247 14 HG23 THR 2 2HG2 THR 2 -2.274 -15.860 -4.659 15 H LYS 3 H LYS 3 -5.506 -12.198 -5.822 16 HA LYS 3 HA LYS 3 -4.437 -9.674 -5.215 17 HB2 LYS 3 2HB LYS 3 -6.923 -10.564 -5.667 18 HB3 LYS 3 1HB LYS 3 -6.978 -10.493 -3.911 19 HG2 LYS 3 2HG LYS 3 -5.863 -8.077 -4.573 20 HG3 LYS 3 1HG LYS 3 -7.022 -8.346 -5.876 21 HD2 LYS 3 2HD LYS 3 -8.785 -8.033 -4.524 22 HD3 LYS 3 1HD LYS 3 -8.071 -8.990 -3.224 23 HE2 LYS 3 2HE LYS 3 -7.991 -6.981 -2.189 24 HE3 LYS 3 1HE LYS 3 -6.490 -6.830 -3.101 25 HZ1 LYS 3 3HZ LYS 3 -7.997 -4.877 -3.252 26 HZ2 LYS 3 1HZ LYS 3 -9.111 -5.845 -4.081 27 HZ3 LYS 3 2HZ LYS 3 -7.588 -5.546 -4.752 28 H LEU 4 H LEU 4 -2.911 -9.494 -3.675 29 HA LEU 4 HA LEU 4 -3.580 -10.500 -0.987 30 HB2 LEU 4 2HB LEU 4 -1.205 -10.888 -2.606 31 HB3 LEU 4 1HB LEU 4 -0.812 -10.154 -1.063 32 HG LEU 4 HG LEU 4 -2.462 -12.163 -0.263 33 HD11 LEU 4 1HD1 LEU 4 -2.806 -13.433 -2.108 34 HD12 LEU 4 2HD1 LEU 4 -1.259 -14.120 -1.614 35 HD13 LEU 4 3HD1 LEU 4 -1.315 -12.904 -2.888 36 HD21 LEU 4 3HD2 LEU 4 0.523 -12.159 -0.661 37 HD22 LEU 4 1HD2 LEU 4 -0.338 -13.393 0.260 38 HD23 LEU 4 2HD2 LEU 4 -0.377 -11.711 0.789 39 H TYR 5 H TYR 5 -3.961 -8.915 0.400 40 HA TYR 5 HA TYR 5 -3.596 -6.201 -0.118 41 HB2 TYR 5 2HB TYR 5 -4.182 -7.805 2.332 42 HB3 TYR 5 1HB TYR 5 -3.756 -6.108 2.524 43 HD1 TYR 5 1HD TYR 5 -5.048 -4.772 0.328 44 HD2 TYR 5 2HD TYR 5 -6.455 -8.038 2.663 45 HE1 TYR 5 1HE TYR 5 -7.366 -4.131 -0.183 46 HE2 TYR 5 2HE TYR 5 -8.778 -7.407 2.158 47 HH TYR 5 HH TYR 5 -9.792 -4.682 1.274 48 H GLY 6 H GLY 6 -1.569 -5.561 -0.692 49 HA2 GLY 6 2HA GLY 6 0.351 -4.438 0.314 50 HA3 GLY 6 1HA GLY 6 0.498 -5.808 1.404 51 H ASP 7 H ASP 7 -0.045 -5.865 -2.090 52 HA ASP 7 HA ASP 7 2.649 -6.985 -2.446 53 HB2 ASP 7 2HB ASP 7 1.028 -8.838 -2.380 54 HB3 ASP 7 1HB ASP 7 0.111 -8.081 -3.678 55 H VAL 8 H VAL 8 3.088 -4.776 -3.156 56 HA VAL 8 HA VAL 8 1.801 -3.718 -5.476 57 HB VAL 8 HB VAL 8 3.603 -2.036 -5.473 58 HG11 VAL 8 1HG1 VAL 8 2.833 -2.283 -2.612 59 HG12 VAL 8 2HG1 VAL 8 1.551 -2.156 -3.816 60 HG13 VAL 8 3HG1 VAL 8 2.768 -0.885 -3.685 61 HG21 VAL 8 3HG2 VAL 8 5.035 -2.299 -3.213 62 HG22 VAL 8 1HG2 VAL 8 5.589 -2.872 -4.786 63 HG23 VAL 8 2HG2 VAL 8 4.846 -3.997 -3.650 64 H ASN 9 H ASN 9 4.758 -5.545 -4.887 65 HA ASN 9 HA ASN 9 5.676 -5.324 -7.598 66 HB2 ASN 9 2HB ASN 9 7.411 -6.925 -6.914 67 HB3 ASN 9 1HB ASN 9 7.270 -5.600 -5.762 68 HD21 ASN 9 1HD2 ASN 9 8.368 -7.057 -4.310 69 HD22 ASN 9 2HD2 ASN 9 7.457 -8.242 -3.444 70 H ASP 10 H ASP 10 3.264 -7.141 -6.141 71 HA ASP 10 HA ASP 10 2.001 -8.911 -6.800 72 HB2 ASP 10 2HB ASP 10 2.149 -7.465 -8.955 73 HB3 ASP 10 1HB ASP 10 3.234 -8.725 -9.534 74 H ASP 11 H ASP 11 4.004 -9.812 -5.408 75 HA ASP 11 HA ASP 11 5.254 -11.970 -6.969 76 HB2 ASP 11 2HB ASP 11 6.929 -12.102 -5.176 77 HB3 ASP 11 1HB ASP 11 6.861 -10.484 -5.869 78 H GLY 12 H GLY 12 2.938 -11.291 -4.554 79 HA2 GLY 12 2HA GLY 12 1.379 -12.901 -3.799 80 HA3 GLY 12 1HA GLY 12 2.552 -14.163 -4.142 81 H LYS 13 H LYS 13 3.596 -11.346 -2.426 82 HA LYS 13 HA LYS 13 3.065 -12.301 0.202 83 HB2 LYS 13 2HB LYS 13 4.825 -13.911 -0.513 84 HB3 LYS 13 1HB LYS 13 5.920 -12.557 -0.758 85 HG2 LYS 13 2HG LYS 13 5.329 -12.027 1.738 86 HG3 LYS 13 1HG LYS 13 4.899 -13.739 1.775 87 HD2 LYS 13 2HD LYS 13 7.066 -14.427 1.362 88 HD3 LYS 13 1HD LYS 13 7.519 -12.894 0.612 89 HE2 LYS 13 2HE LYS 13 8.585 -13.116 2.780 90 HE3 LYS 13 1HE LYS 13 7.408 -11.803 2.809 91 HZ1 LYS 13 3HZ LYS 13 7.396 -14.335 4.232 92 HZ2 LYS 13 1HZ LYS 13 5.898 -13.828 3.630 93 HZ3 LYS 13 2HZ LYS 13 6.766 -12.834 4.687 94 H VAL 14 H VAL 14 3.291 -10.687 1.658 95 HA VAL 14 HA VAL 14 4.121 -8.099 0.657 96 HB VAL 14 HB VAL 14 3.110 -8.770 3.420 97 HG11 VAL 14 1HG1 VAL 14 3.058 -6.168 1.897 98 HG12 VAL 14 2HG1 VAL 14 4.253 -6.588 3.124 99 HG13 VAL 14 3HG1 VAL 14 2.553 -6.434 3.565 100 HG21 VAL 14 3HG2 VAL 14 1.700 -8.529 0.843 101 HG22 VAL 14 1HG2 VAL 14 0.988 -7.650 2.194 102 HG23 VAL 14 2HG2 VAL 14 1.243 -9.390 2.313 103 H ASN 15 H ASN 15 6.306 -7.956 0.545 104 HA ASN 15 HA ASN 15 7.831 -8.530 3.000 105 HB2 ASN 15 2HB ASN 15 8.331 -9.729 0.723 106 HB3 ASN 15 1HB ASN 15 9.128 -8.213 0.315 107 HD21 ASN 15 1HD2 ASN 15 10.459 -10.637 0.475 108 HD22 ASN 15 2HD2 ASN 15 11.565 -10.581 1.800 109 H SER 16 H SER 16 9.892 -7.139 3.125 110 HA SER 16 HA SER 16 9.151 -4.466 3.473 111 HB2 SER 16 2HB SER 16 11.687 -6.000 3.582 112 HB3 SER 16 1HB SER 16 11.839 -4.256 3.370 113 HG SER 16 HG SER 16 11.089 -3.938 5.332 114 H THR 17 H THR 17 10.533 -6.135 0.739 115 HA THR 17 HA THR 17 11.501 -3.958 -0.722 116 HB THR 17 HB THR 17 10.274 -6.523 -1.756 117 HG1 THR 17 1HG THR 17 12.916 -5.831 -1.015 118 HG21 THR 17 3HG2 THR 17 10.600 -5.701 -3.785 119 HG22 THR 17 1HG2 THR 17 12.328 -5.761 -3.442 120 HG23 THR 17 2HG2 THR 17 11.423 -4.275 -3.152 121 H ASP 18 H ASP 18 8.259 -5.160 -0.255 122 HA ASP 18 HA ASP 18 7.028 -3.787 -2.404 123 HB2 ASP 18 2HB ASP 18 5.886 -4.776 0.218 124 HB3 ASP 18 1HB ASP 18 4.918 -4.171 -1.124 125 H ALA 19 H ALA 19 7.773 -2.907 0.916 126 HA ALA 19 HA ALA 19 6.248 -0.556 1.075 127 HB1 ALA 19 1HB ALA 19 7.757 -1.930 2.829 128 HB2 ALA 19 2HB ALA 19 7.201 -0.278 3.102 129 HB3 ALA 19 3HB ALA 19 8.831 -0.571 2.495 130 H VAL 20 H VAL 20 9.621 -1.074 0.087 131 HA VAL 20 HA VAL 20 10.156 1.668 -0.435 132 HB VAL 20 HB VAL 20 11.957 0.058 -0.010 133 HG11 VAL 20 1HG1 VAL 20 11.202 -1.928 -1.036 134 HG12 VAL 20 2HG1 VAL 20 12.637 -1.439 -1.937 135 HG13 VAL 20 3HG1 VAL 20 11.033 -1.144 -2.606 136 HG21 VAL 20 3HG2 VAL 20 13.433 1.227 -1.241 137 HG22 VAL 20 1HG2 VAL 20 12.012 2.145 -1.738 138 HG23 VAL 20 2HG2 VAL 20 12.623 0.845 -2.761 139 H ALA 21 H ALA 21 8.826 -0.952 -2.326 140 HA ALA 21 HA ALA 21 9.117 0.273 -4.874 141 HB1 ALA 21 1HB ALA 21 8.775 -1.970 -5.117 142 HB2 ALA 21 2HB ALA 21 7.123 -1.397 -5.353 143 HB3 ALA 21 3HB ALA 21 7.615 -2.049 -3.790 144 H LEU 22 H LEU 22 6.480 0.151 -2.512 145 HA LEU 22 HA LEU 22 4.611 1.578 -4.096 146 HB2 LEU 22 2HB LEU 22 3.924 0.168 -2.228 147 HB3 LEU 22 1HB LEU 22 4.765 1.216 -1.103 148 HG LEU 22 HG LEU 22 3.214 3.042 -1.628 149 HD11 LEU 22 1HD1 LEU 22 1.110 2.337 -2.911 150 HD12 LEU 22 2HD1 LEU 22 2.104 1.029 -3.551 151 HD13 LEU 22 3HD1 LEU 22 2.563 2.707 -3.841 152 HD21 LEU 22 3HD2 LEU 22 1.945 0.431 -0.823 153 HD22 LEU 22 1HD2 LEU 22 1.167 2.005 -0.654 154 HD23 LEU 22 2HD2 LEU 22 2.649 1.652 0.236 155 H LYS 23 H LYS 23 7.094 2.537 -1.814 156 HA LYS 23 HA LYS 23 6.306 5.205 -1.428 157 HB2 LYS 23 2HB LYS 23 8.718 3.594 -0.963 158 HB3 LYS 23 1HB LYS 23 9.039 5.300 -1.237 159 HG2 LYS 23 2HG LYS 23 7.687 5.938 0.606 160 HG3 LYS 23 1HG LYS 23 7.050 4.301 0.783 161 HD2 LYS 23 2HD LYS 23 8.699 4.641 2.483 162 HD3 LYS 23 1HD LYS 23 9.375 3.535 1.286 163 HE2 LYS 23 2HE LYS 23 11.052 5.145 1.897 164 HE3 LYS 23 1HE LYS 23 10.538 5.455 0.239 165 HZ1 LYS 23 3HZ LYS 23 9.622 7.422 0.796 166 HZ2 LYS 23 1HZ LYS 23 10.728 7.352 2.075 167 HZ3 LYS 23 2HZ LYS 23 9.116 6.902 2.323 168 H ARG 24 H ARG 24 8.581 3.773 -3.755 169 HA ARG 24 HA ARG 24 9.347 6.140 -5.027 170 HB2 ARG 24 2HB ARG 24 9.146 3.329 -6.117 171 HB3 ARG 24 1HB ARG 24 9.935 4.658 -6.955 172 HG2 ARG 24 2HG ARG 24 11.467 4.887 -5.004 173 HG3 ARG 24 1HG ARG 24 10.741 3.426 -4.332 174 HD2 ARG 24 2HD ARG 24 11.522 2.102 -6.135 175 HD3 ARG 24 1HD ARG 24 11.965 3.524 -7.078 176 HE ARG 24 HE ARG 24 13.371 3.332 -4.585 177 HH11 ARG 24 1HH1 ARG 24 13.334 2.299 -7.917 178 HH12 ARG 24 2HH1 ARG 24 15.039 1.998 -7.973 179 HH21 ARG 24 1HH2 ARG 24 15.613 2.938 -4.657 180 HH22 ARG 24 2HH2 ARG 24 16.333 2.361 -6.123 181 H TYR 25 H TYR 25 6.564 4.050 -5.530 182 HA TYR 25 HA TYR 25 5.676 5.185 -7.953 183 HB2 TYR 25 2HB TYR 25 4.885 3.010 -7.039 184 HB3 TYR 25 1HB TYR 25 4.003 3.886 -5.793 185 HD1 TYR 25 1HD TYR 25 4.338 3.867 -9.520 186 HD2 TYR 25 2HD TYR 25 1.760 4.264 -6.160 187 HE1 TYR 25 1HE TYR 25 2.409 4.060 -11.032 188 HE2 TYR 25 2HE TYR 25 -0.178 4.458 -7.661 189 HH TYR 25 HH TYR 25 -0.244 3.534 -10.706 190 H VAL 26 H VAL 26 4.770 5.846 -4.580 191 HA VAL 26 HA VAL 26 2.907 7.884 -5.171 192 HB VAL 26 HB VAL 26 4.511 7.605 -2.628 193 HG11 VAL 26 1HG1 VAL 26 1.932 8.977 -3.329 194 HG12 VAL 26 2HG1 VAL 26 3.378 9.665 -2.590 195 HG13 VAL 26 3HG1 VAL 26 2.356 8.561 -1.668 196 HG21 VAL 26 3HG2 VAL 26 2.407 5.921 -3.772 197 HG22 VAL 26 1HG2 VAL 26 2.086 6.456 -2.122 198 HG23 VAL 26 2HG2 VAL 26 3.569 5.574 -2.491 199 H LEU 27 H LEU 27 6.353 7.858 -5.090 200 HA LEU 27 HA LEU 27 6.540 10.752 -4.830 201 HB2 LEU 27 2HB LEU 27 8.153 9.110 -3.750 202 HB3 LEU 27 1HB LEU 27 8.790 8.824 -5.359 203 HG LEU 27 HG LEU 27 8.983 11.502 -5.295 204 HD11 LEU 27 1HD1 LEU 27 9.486 10.678 -2.443 205 HD12 LEU 27 2HD1 LEU 27 8.057 11.558 -2.985 206 HD13 LEU 27 3HD1 LEU 27 9.655 12.290 -3.141 207 HD21 LEU 27 3HD2 LEU 27 10.812 10.074 -5.860 208 HD22 LEU 27 1HD2 LEU 27 10.927 9.476 -4.204 209 HD23 LEU 27 2HD2 LEU 27 11.348 11.150 -4.569 210 H ARG 28 H ARG 28 5.467 9.085 -7.249 211 HA ARG 28 HA ARG 28 5.439 9.263 -9.516 212 HB2 ARG 28 2HB ARG 28 6.738 11.936 -8.956 213 HB3 ARG 28 1HB ARG 28 5.949 11.469 -10.456 214 HG2 ARG 28 2HG ARG 28 3.829 11.201 -9.202 215 HG3 ARG 28 1HG ARG 28 4.648 11.816 -7.765 216 HD2 ARG 28 2HD ARG 28 3.652 13.724 -8.601 217 HD3 ARG 28 1HD ARG 28 5.268 13.820 -9.298 218 HE ARG 28 HE ARG 28 4.298 13.713 -11.349 219 HH11 ARG 28 1HH1 ARG 28 2.126 12.231 -9.055 220 HH12 ARG 28 2HH1 ARG 28 0.882 11.950 -10.226 221 HH21 ARG 28 1HH2 ARG 28 2.662 13.343 -12.891 222 HH22 ARG 28 2HH2 ARG 28 1.186 12.580 -12.403 223 H SER 29 H SER 29 7.621 7.852 -8.444 224 HA SER 29 HA SER 29 10.080 8.649 -9.634 225 HB2 SER 29 2HB SER 29 10.965 6.618 -8.827 226 HB3 SER 29 1HB SER 29 9.717 7.042 -7.654 227 HG SER 29 HG SER 29 9.918 4.827 -9.083 228 H GLY 30 H GLY 30 7.408 6.606 -10.645 229 HA2 GLY 30 2HA GLY 30 6.883 6.345 -12.965 230 HA3 GLY 30 1HA GLY 30 8.592 6.525 -13.335 231 H ILE 31 H ILE 31 7.132 4.441 -10.881 232 HA ILE 31 HA ILE 31 8.165 2.116 -12.371 233 HB ILE 31 HB ILE 31 9.415 2.515 -10.297 234 HG12 ILE 31 2HG1 ILE 31 7.624 0.077 -10.176 235 HG13 ILE 31 1HG1 ILE 31 9.118 0.212 -11.097 236 HG21 ILE 31 1HG2 ILE 31 7.579 3.620 -9.063 237 HG22 ILE 31 2HG2 ILE 31 8.377 2.356 -8.128 238 HG23 ILE 31 3HG2 ILE 31 6.804 2.048 -8.864 239 HD11 ILE 31 3HD1 ILE 31 8.758 0.091 -8.127 240 HD12 ILE 31 1HD1 ILE 31 10.253 0.663 -8.865 241 HD13 ILE 31 2HD1 ILE 31 9.690 -0.979 -9.175 242 H SER 32 H SER 32 6.723 0.636 -12.969 243 HA SER 32 HA SER 32 3.954 0.956 -12.351 244 HB2 SER 32 2HB SER 32 5.542 -1.040 -13.941 245 HB3 SER 32 1HB SER 32 3.835 -1.324 -13.603 246 HG SER 32 HG SER 32 4.882 1.010 -14.835 247 H ILE 33 H ILE 33 2.619 -0.314 -11.096 248 HA ILE 33 HA ILE 33 3.735 -2.554 -9.618 249 HB ILE 33 HB ILE 33 3.166 -1.701 -7.431 250 HG12 ILE 33 2HG1 ILE 33 2.376 0.849 -8.862 251 HG13 ILE 33 1HG1 ILE 33 1.277 -0.270 -8.063 252 HG21 ILE 33 1HG2 ILE 33 5.399 -1.188 -8.529 253 HG22 ILE 33 2HG2 ILE 33 4.955 -0.204 -7.134 254 HG23 ILE 33 3HG2 ILE 33 4.786 0.449 -8.764 255 HD11 ILE 33 3HD1 ILE 33 2.173 0.272 -5.923 256 HD12 ILE 33 1HD1 ILE 33 1.797 1.777 -6.762 257 HD13 ILE 33 2HD1 ILE 33 3.467 1.225 -6.650 258 H ASN 34 H ASN 34 1.885 -3.190 -7.885 259 HA ASN 34 HA ASN 34 -0.512 -3.563 -9.519 260 HB2 ASN 34 2HB ASN 34 0.952 -5.325 -7.976 261 HB3 ASN 34 1HB ASN 34 -0.427 -4.958 -6.943 262 HD21 ASN 34 1HD2 ASN 34 -0.183 -7.471 -7.760 263 HD22 ASN 34 2HD2 ASN 34 -1.347 -7.854 -8.977 264 H THR 35 H THR 35 -1.945 -1.967 -9.257 265 HA THR 35 HA THR 35 -2.211 -0.493 -6.822 266 HB THR 35 HB THR 35 -4.091 0.620 -7.960 267 HG1 THR 35 1HG THR 35 -5.018 -0.229 -9.645 268 HG21 THR 35 3HG2 THR 35 -2.562 0.781 -10.293 269 HG22 THR 35 1HG2 THR 35 -1.418 0.522 -8.977 270 HG23 THR 35 2HG2 THR 35 -2.546 1.877 -8.911 271 H ASP 36 H ASP 36 -3.807 -3.229 -8.272 272 HA ASP 36 HA ASP 36 -6.161 -3.265 -6.747 273 HB2 ASP 36 2HB ASP 36 -4.755 -5.039 -8.548 274 HB3 ASP 36 1HB ASP 36 -5.436 -5.940 -7.200 275 H ASN 37 H ASN 37 -2.967 -4.663 -6.166 276 HA ASN 37 HA ASN 37 -3.776 -5.695 -3.576 277 HB2 ASN 37 2HB ASN 37 -1.073 -5.691 -4.939 278 HB3 ASN 37 1HB ASN 37 -1.462 -6.539 -3.445 279 HD21 ASN 37 1HD2 ASN 37 -0.435 -7.881 -5.588 280 HD22 ASN 37 2HD2 ASN 37 -1.641 -8.920 -6.258 281 H ALA 38 H ALA 38 -1.887 -3.056 -4.914 282 HA ALA 38 HA ALA 38 -0.597 -2.185 -2.594 283 HB1 ALA 38 1HB ALA 38 -0.407 -0.013 -3.725 284 HB2 ALA 38 2HB ALA 38 -1.570 -0.553 -4.936 285 HB3 ALA 38 3HB ALA 38 -0.005 -1.354 -4.798 286 H ASP 39 H ASP 39 -3.827 -1.485 -3.836 287 HA ASP 39 HA ASP 39 -4.481 0.516 -1.948 288 HB2 ASP 39 2HB ASP 39 -5.663 -0.117 -4.170 289 HB3 ASP 39 1HB ASP 39 -6.520 -1.307 -3.198 290 H LEU 40 H LEU 40 -4.096 -0.027 0.147 291 HA LEU 40 HA LEU 40 -5.081 -2.546 1.208 292 HB2 LEU 40 2HB LEU 40 -3.702 -0.292 2.663 293 HB3 LEU 40 1HB LEU 40 -3.955 -1.924 3.255 294 HG LEU 40 HG LEU 40 -2.228 -1.215 0.883 295 HD11 LEU 40 1HD1 LEU 40 -0.433 -2.028 2.585 296 HD12 LEU 40 2HD1 LEU 40 -1.629 -1.546 3.788 297 HD13 LEU 40 3HD1 LEU 40 -1.008 -0.362 2.639 298 HD21 LEU 40 3HD2 LEU 40 -1.848 -3.413 0.579 299 HD22 LEU 40 1HD2 LEU 40 -3.407 -3.593 1.384 300 HD23 LEU 40 2HD2 LEU 40 -1.912 -3.771 2.305 301 H ASN 41 H ASN 41 -6.025 0.780 1.074 302 HA ASN 41 HA ASN 41 -8.052 0.356 3.151 303 HB2 ASN 41 2HB ASN 41 -8.366 2.797 3.082 304 HB3 ASN 41 1HB ASN 41 -6.690 2.365 3.403 305 HD21 ASN 41 1HD2 ASN 41 -7.191 4.853 2.581 306 HD22 ASN 41 2HD2 ASN 41 -6.676 5.083 0.948 307 H GLU 42 H GLU 42 -7.730 0.195 -0.182 308 HA GLU 42 HA GLU 42 -9.212 0.014 -1.895 309 HB2 GLU 42 2HB GLU 42 -11.225 -0.263 0.345 310 HB3 GLU 42 1HB GLU 42 -11.525 -0.647 -1.345 311 HG2 GLU 42 2HG GLU 42 -9.294 -2.128 -0.809 312 HG3 GLU 42 1HG GLU 42 -10.165 -2.192 0.723 313 H ASP 43 H ASP 43 -8.487 2.602 -1.088 314 HA ASP 43 HA ASP 43 -10.815 4.277 -0.960 315 HB2 ASP 43 2HB ASP 43 -9.125 6.126 -1.312 316 HB3 ASP 43 1HB ASP 43 -8.849 5.108 0.100 317 H GLY 44 H GLY 44 -9.093 2.738 -3.476 318 HA2 GLY 44 2HA GLY 44 -10.098 2.671 -5.666 319 HA3 GLY 44 1HA GLY 44 -10.597 4.339 -5.439 320 H ARG 45 H ARG 45 -7.686 4.622 -4.255 321 HA ARG 45 HA ARG 45 -6.098 4.436 -6.664 322 HB2 ARG 45 2HB ARG 45 -5.560 6.836 -6.738 323 HB3 ARG 45 1HB ARG 45 -7.264 6.537 -7.052 324 HG2 ARG 45 2HG ARG 45 -7.337 6.934 -4.390 325 HG3 ARG 45 1HG ARG 45 -5.967 7.958 -4.827 326 HD2 ARG 45 2HD ARG 45 -8.496 8.105 -6.411 327 HD3 ARG 45 1HD ARG 45 -8.393 8.924 -4.853 328 HE ARG 45 HE ARG 45 -7.199 9.752 -7.298 329 HH11 ARG 45 1HH1 ARG 45 -6.718 9.727 -3.841 330 HH12 ARG 45 2HH1 ARG 45 -5.716 11.139 -3.845 331 HH21 ARG 45 1HH2 ARG 45 -5.881 11.609 -7.305 332 HH22 ARG 45 2HH2 ARG 45 -5.240 12.208 -5.810 333 H VAL 46 H VAL 46 -3.857 4.788 -6.304 334 HA VAL 46 HA VAL 46 -3.051 4.187 -3.593 335 HB VAL 46 HB VAL 46 -1.270 4.615 -5.994 336 HG11 VAL 46 1HG1 VAL 46 0.014 2.820 -4.501 337 HG12 VAL 46 2HG1 VAL 46 -0.874 3.647 -3.222 338 HG13 VAL 46 3HG1 VAL 46 0.211 4.558 -4.272 339 HG21 VAL 46 3HG2 VAL 46 -2.746 2.168 -5.062 340 HG22 VAL 46 1HG2 VAL 46 -1.300 2.071 -6.067 341 HG23 VAL 46 2HG2 VAL 46 -2.735 2.901 -6.665 342 H ASN 47 H ASN 47 -3.258 5.980 -2.329 343 HA ASN 47 HA ASN 47 -1.796 8.394 -3.169 344 HB2 ASN 47 2HB ASN 47 -3.228 9.467 -1.294 345 HB3 ASN 47 1HB ASN 47 -4.005 9.078 -2.826 346 HD21 ASN 47 1HD2 ASN 47 -5.886 8.121 -2.654 347 HD22 ASN 47 2HD2 ASN 47 -6.414 7.129 -1.342 348 H SER 48 H SER 48 -1.297 9.718 -0.965 349 HA SER 48 HA SER 48 0.910 8.494 0.182 350 HB2 SER 48 2HB SER 48 -0.468 10.982 0.452 351 HB3 SER 48 1HB SER 48 -0.113 10.367 2.066 352 HG SER 48 HG SER 48 1.834 10.456 0.016 353 H THR 49 H THR 49 -2.449 8.327 1.080 354 HA THR 49 HA THR 49 -2.208 7.435 3.721 355 HB THR 49 HB THR 49 -4.355 6.328 1.962 356 HG1 THR 49 1HG THR 49 -5.362 8.304 1.863 357 HG21 THR 49 3HG2 THR 49 -4.344 6.015 4.447 358 HG22 THR 49 1HG2 THR 49 -5.794 6.764 3.782 359 HG23 THR 49 2HG2 THR 49 -4.582 7.756 4.593 360 H ASP 50 H ASP 50 -2.387 5.592 0.687 361 HA ASP 50 HA ASP 50 -2.245 3.031 1.808 362 HB2 ASP 50 2HB ASP 50 -1.262 4.006 -0.882 363 HB3 ASP 50 1HB ASP 50 -1.451 2.314 -0.436 364 H LEU 51 H LEU 51 0.270 5.320 0.905 365 HA LEU 51 HA LEU 51 2.495 3.643 1.145 366 HB2 LEU 51 2HB LEU 51 2.380 6.021 0.238 367 HB3 LEU 51 1HB LEU 51 2.462 6.556 1.906 368 HG LEU 51 HG LEU 51 4.574 4.698 0.921 369 HD11 LEU 51 1HD1 LEU 51 5.876 6.515 0.014 370 HD12 LEU 51 2HD1 LEU 51 4.581 7.660 0.363 371 HD13 LEU 51 3HD1 LEU 51 4.343 6.401 -0.849 372 HD21 LEU 51 3HD2 LEU 51 5.206 7.078 2.519 373 HD22 LEU 51 1HD2 LEU 51 5.698 5.398 2.735 374 HD23 LEU 51 2HD2 LEU 51 4.113 5.932 3.293 375 H GLY 52 H GLY 52 0.651 5.412 3.563 376 HA2 GLY 52 2HA GLY 52 2.500 4.822 5.696 377 HA3 GLY 52 1HA GLY 52 0.917 5.566 5.861 378 H ILE 53 H ILE 53 -0.624 3.555 4.618 379 HA ILE 53 HA ILE 53 -1.057 1.817 6.789 380 HB ILE 53 HB ILE 53 -1.998 1.459 3.940 381 HG12 ILE 53 2HG1 ILE 53 -3.617 2.673 6.159 382 HG13 ILE 53 1HG1 ILE 53 -2.511 3.672 5.223 383 HG21 ILE 53 1HG2 ILE 53 -2.190 -0.533 5.417 384 HG22 ILE 53 2HG2 ILE 53 -3.740 0.084 4.846 385 HG23 ILE 53 3HG2 ILE 53 -3.211 0.420 6.495 386 HD11 ILE 53 3HD1 ILE 53 -4.670 3.883 4.267 387 HD12 ILE 53 1HD1 ILE 53 -4.885 2.133 4.217 388 HD13 ILE 53 2HD1 ILE 53 -3.700 2.906 3.165 389 H LEU 54 H LEU 54 0.547 1.329 3.665 390 HA LEU 54 HA LEU 54 1.024 -1.425 3.932 391 HB2 LEU 54 2HB LEU 54 1.252 -0.087 1.833 392 HB3 LEU 54 1HB LEU 54 2.740 0.584 2.475 393 HG LEU 54 HG LEU 54 3.700 -1.706 2.549 394 HD11 LEU 54 1HD1 LEU 54 1.190 -2.474 1.066 395 HD12 LEU 54 2HD1 LEU 54 1.584 -2.935 2.722 396 HD13 LEU 54 3HD1 LEU 54 2.578 -3.515 1.385 397 HD21 LEU 54 3HD2 LEU 54 3.700 -0.022 0.525 398 HD22 LEU 54 1HD2 LEU 54 2.759 -1.301 -0.244 399 HD23 LEU 54 2HD2 LEU 54 4.378 -1.643 0.366 400 H LYS 55 H LYS 55 3.062 1.370 4.746 401 HA LYS 55 HA LYS 55 5.256 -0.114 5.706 402 HB2 LYS 55 2HB LYS 55 4.351 2.698 5.836 403 HB3 LYS 55 1HB LYS 55 5.455 2.195 7.108 404 HG2 LYS 55 2HG LYS 55 7.198 1.880 5.667 405 HG3 LYS 55 1HG LYS 55 6.145 1.531 4.295 406 HD2 LYS 55 2HD LYS 55 6.077 3.679 3.672 407 HD3 LYS 55 1HD LYS 55 5.803 4.235 5.324 408 HE2 LYS 55 2HE LYS 55 8.472 3.450 4.154 409 HE3 LYS 55 1HE LYS 55 7.902 5.103 4.386 410 HZ1 LYS 55 3HZ LYS 55 8.613 3.102 6.443 411 HZ2 LYS 55 1HZ LYS 55 7.663 4.452 6.815 412 HZ3 LYS 55 2HZ LYS 55 9.236 4.660 6.229 413 H ARG 56 H ARG 56 2.407 1.219 7.325 414 HA ARG 56 HA ARG 56 3.171 0.573 9.958 415 HB2 ARG 56 2HB ARG 56 0.598 1.233 8.598 416 HB3 ARG 56 1HB ARG 56 0.532 0.543 10.214 417 HG2 ARG 56 2HG ARG 56 1.973 2.356 11.032 418 HG3 ARG 56 1HG ARG 56 1.978 3.060 9.414 419 HD2 ARG 56 2HD ARG 56 -0.444 3.334 9.517 420 HD3 ARG 56 1HD ARG 56 -0.466 2.604 11.122 421 HE ARG 56 HE ARG 56 1.257 4.884 10.963 422 HH11 ARG 56 1HH1 ARG 56 -2.055 3.865 11.385 423 HH12 ARG 56 2HH1 ARG 56 -2.517 5.296 12.245 424 HH21 ARG 56 1HH2 ARG 56 0.652 6.766 12.093 425 HH22 ARG 56 2HH2 ARG 56 -0.980 6.943 12.647 426 H TYR 57 H TYR 57 1.384 -1.223 7.497 427 HA TYR 57 HA TYR 57 0.651 -3.402 9.139 428 HB2 TYR 57 2HB TYR 57 -0.375 -2.868 6.925 429 HB3 TYR 57 1HB TYR 57 1.106 -3.423 6.149 430 HD1 TYR 57 1HD TYR 57 -1.677 -4.537 8.347 431 HD2 TYR 57 2HD TYR 57 1.416 -5.695 5.665 432 HE1 TYR 57 1HE TYR 57 -2.551 -6.836 8.342 433 HE2 TYR 57 2HE TYR 57 0.551 -7.997 5.651 434 HH TYR 57 HH TYR 57 -2.357 -8.874 6.489 435 H ILE 58 H ILE 58 3.429 -2.838 7.019 436 HA ILE 58 HA ILE 58 4.589 -5.412 7.507 437 HB ILE 58 HB ILE 58 5.962 -2.955 6.415 438 HG12 ILE 58 2HG1 ILE 58 4.803 -5.141 4.717 439 HG13 ILE 58 1HG1 ILE 58 3.780 -3.816 5.261 440 HG21 ILE 58 1HG2 ILE 58 7.105 -5.055 5.181 441 HG22 ILE 58 2HG2 ILE 58 6.700 -5.791 6.733 442 HG23 ILE 58 3HG2 ILE 58 7.715 -4.349 6.678 443 HD11 ILE 58 3HD1 ILE 58 4.746 -3.512 2.997 444 HD12 ILE 58 1HD1 ILE 58 6.344 -3.441 3.740 445 HD13 ILE 58 2HD1 ILE 58 5.137 -2.216 4.129 446 H LEU 59 H LEU 59 4.533 -2.449 9.219 447 HA LEU 59 HA LEU 59 7.003 -3.014 10.659 448 HB2 LEU 59 2HB LEU 59 5.074 -0.714 10.641 449 HB3 LEU 59 1HB LEU 59 6.280 -0.872 11.904 450 HG LEU 59 HG LEU 59 7.030 -0.839 8.991 451 HD11 LEU 59 1HD1 LEU 59 5.705 1.220 9.879 452 HD12 LEU 59 2HD1 LEU 59 7.187 1.456 8.954 453 HD13 LEU 59 3HD1 LEU 59 7.215 1.591 10.712 454 HD21 LEU 59 3HD2 LEU 59 8.504 -0.419 11.579 455 HD22 LEU 59 1HD2 LEU 59 9.174 0.021 10.008 456 HD23 LEU 59 2HD2 LEU 59 8.778 -1.662 10.359 457 H LYS 60 H LYS 60 4.321 -4.550 10.848 458 HA LYS 60 HA LYS 60 3.104 -5.622 12.441 459 HB2 LYS 60 2HB LYS 60 5.408 -4.934 14.270 460 HB3 LYS 60 1HB LYS 60 4.256 -6.247 14.469 461 HG2 LYS 60 2HG LYS 60 6.038 -6.082 12.066 462 HG3 LYS 60 1HG LYS 60 6.583 -6.810 13.578 463 HD2 LYS 60 2HD LYS 60 4.487 -8.249 13.456 464 HD3 LYS 60 1HD LYS 60 4.324 -7.681 11.794 465 HE2 LYS 60 2HE LYS 60 6.898 -8.442 11.765 466 HE3 LYS 60 1HE LYS 60 6.277 -9.552 12.986 467 HZ1 LYS 60 3HZ LYS 60 5.783 -10.778 11.182 468 HZ2 LYS 60 1HZ LYS 60 5.753 -9.451 10.132 469 HZ3 LYS 60 2HZ LYS 60 4.412 -9.791 11.106 470 H GLU 61 H GLU 61 2.522 -2.870 12.065 471 HA GLU 61 HA GLU 61 1.925 -1.906 14.769 472 HB2 GLU 61 2HB GLU 61 1.763 -0.509 12.093 473 HB3 GLU 61 1HB GLU 61 1.342 0.227 13.634 474 HG2 GLU 61 2HG GLU 61 3.999 -0.956 13.630 475 HG3 GLU 61 1HG GLU 61 3.799 0.307 12.416 476 H ILE 62 H ILE 62 0.387 -2.733 11.700 477 HA ILE 62 HA ILE 62 -2.177 -2.926 13.129 478 HB ILE 62 HB ILE 62 -3.284 -2.215 10.960 479 HG12 ILE 62 2HG1 ILE 62 -0.509 -1.145 10.398 480 HG13 ILE 62 1HG1 ILE 62 -1.288 -2.461 9.526 481 HG21 ILE 62 1HG2 ILE 62 -1.818 -0.473 12.857 482 HG22 ILE 62 2HG2 ILE 62 -3.550 -0.617 12.554 483 HG23 ILE 62 3HG2 ILE 62 -2.531 0.288 11.434 484 HD11 ILE 62 3HD1 ILE 62 -3.078 -0.853 8.868 485 HD12 ILE 62 1HD1 ILE 62 -1.481 -0.496 8.212 486 HD13 ILE 62 2HD1 ILE 62 -2.099 0.430 9.580 487 H ASP 63 H ASP 63 -3.240 -4.784 12.827 488 HA ASP 63 HA ASP 63 -2.235 -6.611 10.749 489 HB2 ASP 63 2HB ASP 63 -2.800 -6.974 13.565 490 HB3 ASP 63 1HB ASP 63 -3.731 -8.107 12.591 491 H THR 64 H THR 64 -5.009 -4.947 11.952 492 HA THR 64 HA THR 64 -6.948 -6.601 10.625 493 HB THR 64 HB THR 64 -7.462 -5.280 12.670 494 HG1 THR 64 1HG THR 64 -9.081 -5.899 11.055 495 HG21 THR 64 3HG2 THR 64 -6.197 -3.220 11.933 496 HG22 THR 64 1HG2 THR 64 -7.784 -2.959 12.656 497 HG23 THR 64 2HG2 THR 64 -7.585 -2.860 10.906 498 H LEU 65 H LEU 65 -7.479 -6.543 8.553 499 HA LEU 65 HA LEU 65 -7.150 -4.046 7.053 500 HB2 LEU 65 2HB LEU 65 -5.679 -6.529 6.664 501 HB3 LEU 65 1HB LEU 65 -6.521 -6.026 5.211 502 HG LEU 65 HG LEU 65 -5.363 -3.910 5.198 503 HD11 LEU 65 1HD1 LEU 65 -4.568 -4.744 7.932 504 HD12 LEU 65 2HD1 LEU 65 -5.027 -3.155 7.319 505 HD13 LEU 65 3HD1 LEU 65 -3.417 -3.797 6.988 506 HD21 LEU 65 3HD2 LEU 65 -4.234 -6.276 4.601 507 HD22 LEU 65 1HD2 LEU 65 -3.079 -5.676 5.791 508 HD23 LEU 65 2HD2 LEU 65 -3.437 -4.722 4.352 509 HA PRO 66 HA PRO 66 -7.278 -3.746 4.706 510 HB2 PRO 66 2HB PRO 66 -8.975 -2.156 3.361 511 HB3 PRO 66 1HB PRO 66 -8.536 -3.762 2.765 512 HG2 PRO 66 2HG PRO 66 -10.995 -2.896 4.238 513 HG3 PRO 66 1HG PRO 66 -10.856 -3.960 2.826 514 HD2 PRO 66 2HD PRO 66 -11.157 -4.882 5.377 515 HD3 PRO 66 1HD PRO 66 -10.315 -5.788 4.105 516 H TYR 67 H TYR 67 -6.988 -1.362 4.800 517 HA TYR 67 HA TYR 67 -7.671 -0.391 7.414 518 HB2 TYR 67 2HB TYR 67 -5.464 0.065 6.494 519 HB3 TYR 67 1HB TYR 67 -6.179 0.911 5.125 520 HD1 TYR 67 1HD TYR 67 -5.924 1.045 8.840 521 HD2 TYR 67 2HD TYR 67 -6.514 3.215 5.229 522 HE1 TYR 67 1HE TYR 67 -5.817 3.155 10.098 523 HE2 TYR 67 2HE TYR 67 -6.408 5.332 6.476 524 HH TYR 67 HH TYR 67 -5.137 5.735 9.312 525 H LYS 68 H LYS 68 -9.656 0.360 7.786 526 HA LYS 68 HA LYS 68 -10.895 2.098 5.755 527 HB2 LYS 68 2HB LYS 68 -12.047 -0.100 6.327 528 HB3 LYS 68 1HB LYS 68 -12.370 0.592 7.912 529 HG2 LYS 68 2HG LYS 68 -13.845 2.164 7.071 530 HG3 LYS 68 1HG LYS 68 -13.190 2.051 5.436 531 HD2 LYS 68 2HD LYS 68 -14.176 -0.122 5.134 532 HD3 LYS 68 1HD LYS 68 -14.694 -0.167 6.820 533 HE2 LYS 68 2HE LYS 68 -16.510 1.086 6.416 534 HE3 LYS 68 1HE LYS 68 -15.631 2.184 5.353 535 HZ1 LYS 68 3HZ LYS 68 -16.210 1.022 3.531 536 HZ2 LYS 68 1HZ LYS 68 -17.493 0.496 4.500 537 HZ3 LYS 68 2HZ LYS 68 -16.126 -0.480 4.304 538 H ASN 69 H ASN 69 -10.311 4.109 6.384 539 HA ASN 69 HA ASN 69 -10.185 4.911 9.125 540 HB2 ASN 69 2HB ASN 69 -9.805 7.178 8.199 541 HB3 ASN 69 1HB ASN 69 -8.743 5.971 7.478 542 HD21 ASN 69 1HD2 ASN 69 -8.385 6.702 5.494 543 HD22 ASN 69 2HD2 ASN 69 -9.605 7.114 4.343 Start of MODEL 4 1 H1 SER 1 1HT SER 1 -0.004 -13.100 -9.039 2 H2 SER 1 2HT SER 1 0.030 -14.816 -9.084 3 H3 SER 1 3HT SER 1 1.464 -13.935 -8.747 4 HA SER 1 HA SER 1 0.337 -14.996 -6.826 5 HB2 SER 1 2HB SER 1 1.090 -12.099 -7.080 6 HB3 SER 1 1HB SER 1 0.549 -12.731 -5.525 7 HG SER 1 HG SER 1 2.944 -12.984 -6.706 8 H THR 2 H THR 2 -1.062 -13.764 -4.965 9 HA THR 2 HA THR 2 -3.723 -13.443 -6.171 10 HB THR 2 HB THR 2 -3.610 -15.315 -4.655 11 HG1 THR 2 1HG THR 2 -5.458 -13.849 -4.552 12 HG21 THR 2 3HG2 THR 2 -2.201 -15.327 -2.953 13 HG22 THR 2 1HG2 THR 2 -3.290 -14.221 -2.116 14 HG23 THR 2 2HG2 THR 2 -1.952 -13.586 -3.073 15 H LYS 3 H LYS 3 -5.181 -11.875 -5.256 16 HA LYS 3 HA LYS 3 -4.019 -9.338 -4.921 17 HB2 LYS 3 2HB LYS 3 -6.422 -10.026 -5.675 18 HB3 LYS 3 1HB LYS 3 -6.793 -9.953 -3.958 19 HG2 LYS 3 2HG LYS 3 -5.958 -7.615 -3.934 20 HG3 LYS 3 1HG LYS 3 -5.766 -7.714 -5.686 21 HD2 LYS 3 2HD LYS 3 -8.061 -7.846 -6.053 22 HD3 LYS 3 1HD LYS 3 -8.393 -8.358 -4.398 23 HE2 LYS 3 2HE LYS 3 -7.572 -6.070 -3.677 24 HE3 LYS 3 1HE LYS 3 -7.634 -5.618 -5.379 25 HZ1 LYS 3 3HZ LYS 3 -10.029 -6.861 -4.304 26 HZ2 LYS 3 1HZ LYS 3 -9.870 -5.558 -5.372 27 HZ3 LYS 3 2HZ LYS 3 -9.675 -5.318 -3.710 28 H LEU 4 H LEU 4 -2.524 -9.478 -3.223 29 HA LEU 4 HA LEU 4 -3.660 -9.830 -0.534 30 HB2 LEU 4 2HB LEU 4 -1.276 -10.767 -1.739 31 HB3 LEU 4 1HB LEU 4 -0.803 -9.602 -0.516 32 HG LEU 4 HG LEU 4 -2.796 -11.634 0.306 33 HD11 LEU 4 1HD1 LEU 4 -1.045 -13.306 0.717 34 HD12 LEU 4 2HD1 LEU 4 0.103 -12.305 -0.171 35 HD13 LEU 4 3HD1 LEU 4 -1.286 -13.004 -1.004 36 HD21 LEU 4 3HD2 LEU 4 -0.631 -9.999 1.484 37 HD22 LEU 4 1HD2 LEU 4 -0.931 -11.574 2.217 38 HD23 LEU 4 2HD2 LEU 4 -2.233 -10.389 2.112 39 H TYR 5 H TYR 5 -4.091 -8.043 0.563 40 HA TYR 5 HA TYR 5 -3.490 -5.458 -0.270 41 HB2 TYR 5 2HB TYR 5 -4.068 -6.374 2.555 42 HB3 TYR 5 1HB TYR 5 -4.238 -4.733 1.941 43 HD1 TYR 5 1HD TYR 5 -5.774 -4.641 -0.289 44 HD2 TYR 5 2HD TYR 5 -6.012 -7.583 2.774 45 HE1 TYR 5 1HE TYR 5 -8.097 -5.122 -0.940 46 HE2 TYR 5 2HE TYR 5 -8.334 -8.074 2.132 47 HH TYR 5 HH TYR 5 -10.195 -6.115 0.322 48 H GLY 6 H GLY 6 -1.377 -5.003 -0.692 49 HA2 GLY 6 2HA GLY 6 0.412 -3.809 0.631 50 HA3 GLY 6 1HA GLY 6 0.521 -5.302 1.551 51 H ASP 7 H ASP 7 0.070 -6.868 -0.977 52 HA ASP 7 HA ASP 7 2.848 -7.078 -1.704 53 HB2 ASP 7 2HB ASP 7 1.359 -9.062 -1.415 54 HB3 ASP 7 1HB ASP 7 0.472 -8.559 -2.849 55 H VAL 8 H VAL 8 3.373 -5.198 -2.809 56 HA VAL 8 HA VAL 8 1.831 -4.408 -5.134 57 HB VAL 8 HB VAL 8 3.616 -2.645 -5.369 58 HG11 VAL 8 1HG1 VAL 8 1.409 -2.691 -3.830 59 HG12 VAL 8 2HG1 VAL 8 2.456 -1.281 -3.995 60 HG13 VAL 8 3HG1 VAL 8 2.632 -2.352 -2.605 61 HG21 VAL 8 3HG2 VAL 8 5.383 -2.470 -3.955 62 HG22 VAL 8 1HG2 VAL 8 5.175 -4.219 -3.884 63 HG23 VAL 8 2HG2 VAL 8 4.517 -3.201 -2.604 64 H ASN 9 H ASN 9 4.795 -6.104 -4.403 65 HA ASN 9 HA ASN 9 5.683 -6.069 -7.165 66 HB2 ASN 9 2HB ASN 9 7.549 -7.494 -6.293 67 HB3 ASN 9 1HB ASN 9 7.405 -5.929 -5.496 68 HD21 ASN 9 1HD2 ASN 9 8.538 -6.730 -3.708 69 HD22 ASN 9 2HD2 ASN 9 7.786 -7.775 -2.556 70 H ASP 10 H ASP 10 3.513 -7.889 -5.367 71 HA ASP 10 HA ASP 10 2.389 -9.823 -5.759 72 HB2 ASP 10 2HB ASP 10 3.671 -9.680 -8.497 73 HB3 ASP 10 1HB ASP 10 2.266 -10.646 -8.055 74 H ASP 11 H ASP 11 4.483 -10.275 -4.250 75 HA ASP 11 HA ASP 11 5.987 -12.502 -5.435 76 HB2 ASP 11 2HB ASP 11 7.453 -12.266 -3.417 77 HB3 ASP 11 1HB ASP 11 7.418 -10.840 -4.450 78 H GLY 12 H GLY 12 3.428 -11.814 -3.281 79 HA2 GLY 12 2HA GLY 12 1.986 -13.557 -2.522 80 HA3 GLY 12 1HA GLY 12 3.367 -14.643 -2.493 81 H LYS 13 H LYS 13 3.911 -11.523 -1.181 82 HA LYS 13 HA LYS 13 3.028 -12.035 1.474 83 HB2 LYS 13 2HB LYS 13 5.285 -12.217 2.507 84 HB3 LYS 13 1HB LYS 13 4.849 -13.613 1.530 85 HG2 LYS 13 2HG LYS 13 6.137 -12.307 -0.344 86 HG3 LYS 13 1HG LYS 13 6.899 -11.517 1.038 87 HD2 LYS 13 2HD LYS 13 6.702 -14.481 1.075 88 HD3 LYS 13 1HD LYS 13 7.869 -13.750 -0.030 89 HE2 LYS 13 2HE LYS 13 8.171 -12.394 2.404 90 HE3 LYS 13 1HE LYS 13 8.020 -14.100 2.823 91 HZ1 LYS 13 3HZ LYS 13 9.918 -13.027 0.808 92 HZ2 LYS 13 1HZ LYS 13 9.825 -14.625 1.358 93 HZ3 LYS 13 2HZ LYS 13 10.327 -13.396 2.406 94 H VAL 14 H VAL 14 3.738 -10.340 2.991 95 HA VAL 14 HA VAL 14 4.226 -7.831 1.542 96 HB VAL 14 HB VAL 14 3.164 -8.143 4.350 97 HG11 VAL 14 1HG1 VAL 14 2.947 -5.900 4.425 98 HG12 VAL 14 2HG1 VAL 14 2.546 -5.774 2.711 99 HG13 VAL 14 3HG1 VAL 14 4.228 -5.944 3.214 100 HG21 VAL 14 3HG2 VAL 14 1.646 -7.803 1.766 101 HG22 VAL 14 1HG2 VAL 14 0.944 -7.692 3.381 102 HG23 VAL 14 2HG2 VAL 14 1.626 -9.218 2.819 103 H ASN 15 H ASN 15 6.406 -7.592 1.463 104 HA ASN 15 HA ASN 15 7.877 -7.733 4.011 105 HB2 ASN 15 2HB ASN 15 9.107 -7.807 1.256 106 HB3 ASN 15 1HB ASN 15 9.862 -8.231 2.789 107 HD21 ASN 15 1HD2 ASN 15 9.760 -9.856 0.474 108 HD22 ASN 15 2HD2 ASN 15 8.862 -11.277 0.869 109 H SER 16 H SER 16 10.108 -6.318 3.417 110 HA SER 16 HA SER 16 9.182 -3.623 3.630 111 HB2 SER 16 2HB SER 16 11.807 -3.253 3.429 112 HB3 SER 16 1HB SER 16 11.082 -3.902 4.900 113 HG SER 16 HG SER 16 12.795 -5.213 4.312 114 H THR 17 H THR 17 10.508 -5.600 1.080 115 HA THR 17 HA THR 17 11.333 -3.628 -0.712 116 HB THR 17 HB THR 17 10.092 -6.310 -1.353 117 HG1 THR 17 1HG THR 17 11.830 -7.025 -0.445 118 HG21 THR 17 3HG2 THR 17 11.789 -6.106 -3.293 119 HG22 THR 17 1HG2 THR 17 11.657 -4.373 -2.992 120 HG23 THR 17 2HG2 THR 17 10.222 -5.306 -3.418 121 H ASP 18 H ASP 18 8.140 -4.788 0.088 122 HA ASP 18 HA ASP 18 6.782 -3.731 -2.162 123 HB2 ASP 18 2HB ASP 18 5.750 -4.343 0.615 124 HB3 ASP 18 1HB ASP 18 4.742 -4.015 -0.791 125 H ALA 19 H ALA 19 7.805 -2.379 0.890 126 HA ALA 19 HA ALA 19 6.194 -0.031 0.758 127 HB1 ALA 19 1HB ALA 19 8.395 -1.020 2.461 128 HB2 ALA 19 2HB ALA 19 6.846 -0.307 2.907 129 HB3 ALA 19 3HB ALA 19 8.176 0.728 2.390 130 H VAL 20 H VAL 20 9.639 -0.646 0.093 131 HA VAL 20 HA VAL 20 10.299 1.943 -0.734 132 HB VAL 20 HB VAL 20 11.993 0.247 -0.218 133 HG11 VAL 20 1HG1 VAL 20 12.544 -1.483 -1.892 134 HG12 VAL 20 2HG1 VAL 20 11.096 -1.036 -2.794 135 HG13 VAL 20 3HG1 VAL 20 10.951 -1.710 -1.171 136 HG21 VAL 20 3HG2 VAL 20 13.583 0.946 -1.782 137 HG22 VAL 20 1HG2 VAL 20 12.384 2.240 -1.786 138 HG23 VAL 20 2HG2 VAL 20 12.396 1.044 -3.083 139 H ALA 21 H ALA 21 8.946 -0.781 -2.514 140 HA ALA 21 HA ALA 21 9.207 0.369 -5.097 141 HB1 ALA 21 1HB ALA 21 7.484 -1.845 -4.014 142 HB2 ALA 21 2HB ALA 21 8.940 -1.974 -5.000 143 HB3 ALA 21 3HB ALA 21 7.449 -1.351 -5.707 144 H LEU 22 H LEU 22 6.678 0.424 -2.645 145 HA LEU 22 HA LEU 22 4.719 1.691 -4.273 146 HB2 LEU 22 2HB LEU 22 4.292 0.379 -2.162 147 HB3 LEU 22 1HB LEU 22 4.907 1.755 -1.265 148 HG LEU 22 HG LEU 22 3.098 3.156 -2.150 149 HD11 LEU 22 1HD1 LEU 22 2.422 2.426 -4.193 150 HD12 LEU 22 2HD1 LEU 22 1.186 1.651 -3.204 151 HD13 LEU 22 3HD1 LEU 22 2.578 0.723 -3.762 152 HD21 LEU 22 3HD2 LEU 22 1.592 2.461 -0.605 153 HD22 LEU 22 1HD2 LEU 22 2.933 1.419 -0.131 154 HD23 LEU 22 2HD2 LEU 22 1.639 0.784 -1.148 155 H LYS 23 H LYS 23 7.319 2.825 -2.232 156 HA LYS 23 HA LYS 23 6.503 5.520 -2.013 157 HB2 LYS 23 2HB LYS 23 8.468 4.064 -0.878 158 HB3 LYS 23 1HB LYS 23 9.406 4.930 -2.088 159 HG2 LYS 23 2HG LYS 23 9.122 6.941 -1.073 160 HG3 LYS 23 1HG LYS 23 7.535 6.517 -0.428 161 HD2 LYS 23 2HD LYS 23 9.151 6.719 1.374 162 HD3 LYS 23 1HD LYS 23 8.615 5.045 1.219 163 HE2 LYS 23 2HE LYS 23 10.890 4.775 1.432 164 HE3 LYS 23 1HE LYS 23 10.709 4.818 -0.320 165 HZ1 LYS 23 3HZ LYS 23 11.051 7.402 0.205 166 HZ2 LYS 23 1HZ LYS 23 12.328 6.350 -0.145 167 HZ3 LYS 23 2HZ LYS 23 11.967 6.734 1.461 168 H ARG 24 H ARG 24 8.346 3.761 -4.433 169 HA ARG 24 HA ARG 24 9.291 6.004 -5.867 170 HB2 ARG 24 2HB ARG 24 8.723 3.224 -6.911 171 HB3 ARG 24 1HB ARG 24 9.753 4.430 -7.670 172 HG2 ARG 24 2HG ARG 24 10.896 4.261 -5.224 173 HG3 ARG 24 1HG ARG 24 10.301 2.613 -5.433 174 HD2 ARG 24 2HD ARG 24 11.740 3.895 -7.699 175 HD3 ARG 24 1HD ARG 24 12.684 3.357 -6.310 176 HE ARG 24 HE ARG 24 11.395 1.705 -8.279 177 HH11 ARG 24 1HH1 ARG 24 12.617 1.837 -5.012 178 HH12 ARG 24 2HH1 ARG 24 12.852 0.126 -4.898 179 HH21 ARG 24 1HH2 ARG 24 11.703 -0.545 -8.130 180 HH22 ARG 24 2HH2 ARG 24 12.334 -1.228 -6.669 181 H TYR 25 H TYR 25 6.464 3.902 -6.362 182 HA TYR 25 HA TYR 25 5.466 5.139 -8.654 183 HB2 TYR 25 2HB TYR 25 4.654 2.975 -7.767 184 HB3 TYR 25 1HB TYR 25 3.879 3.827 -6.437 185 HD1 TYR 25 1HD TYR 25 2.160 5.677 -7.132 186 HD2 TYR 25 2HD TYR 25 3.435 2.522 -9.686 187 HE1 TYR 25 1HE TYR 25 0.136 5.971 -8.495 188 HE2 TYR 25 2HE TYR 25 1.414 2.810 -11.059 189 HH TYR 25 HH TYR 25 -0.627 5.506 -10.784 190 H VAL 26 H VAL 26 4.883 5.855 -5.236 191 HA VAL 26 HA VAL 26 2.972 7.902 -5.695 192 HB VAL 26 HB VAL 26 4.756 7.611 -3.277 193 HG11 VAL 26 1HG1 VAL 26 2.886 8.695 -2.107 194 HG12 VAL 26 2HG1 VAL 26 2.036 8.865 -3.643 195 HG13 VAL 26 3HG1 VAL 26 3.556 9.720 -3.376 196 HG21 VAL 26 3HG2 VAL 26 3.633 5.803 -2.609 197 HG22 VAL 26 1HG2 VAL 26 3.019 5.688 -4.258 198 HG23 VAL 26 2HG2 VAL 26 2.078 6.524 -3.023 199 H LEU 27 H LEU 27 6.395 7.812 -5.943 200 HA LEU 27 HA LEU 27 6.636 10.715 -5.717 201 HB2 LEU 27 2HB LEU 27 8.281 8.907 -4.764 202 HB3 LEU 27 1HB LEU 27 8.918 8.910 -6.398 203 HG LEU 27 HG LEU 27 9.232 11.409 -6.154 204 HD11 LEU 27 1HD1 LEU 27 7.642 11.540 -4.189 205 HD12 LEU 27 2HD1 LEU 27 9.166 12.412 -4.023 206 HD13 LEU 27 3HD1 LEU 27 8.944 10.861 -3.213 207 HD21 LEU 27 3HD2 LEU 27 11.154 10.944 -4.359 208 HD22 LEU 27 1HD2 LEU 27 11.249 10.384 -6.030 209 HD23 LEU 27 2HD2 LEU 27 10.734 9.278 -4.757 210 H ARG 28 H ARG 28 5.247 9.308 -7.967 211 HA ARG 28 HA ARG 28 5.046 9.462 -10.226 212 HB2 ARG 28 2HB ARG 28 6.181 11.958 -9.304 213 HB3 ARG 28 1HB ARG 28 6.717 11.600 -10.939 214 HG2 ARG 28 2HG ARG 28 3.983 11.044 -10.928 215 HG3 ARG 28 1HG ARG 28 4.163 12.541 -10.011 216 HD2 ARG 28 2HD ARG 28 3.913 13.259 -12.217 217 HD3 ARG 28 1HD ARG 28 5.654 13.319 -11.944 218 HE ARG 28 HE ARG 28 4.743 10.840 -13.081 219 HH11 ARG 28 1HH1 ARG 28 5.787 14.096 -13.778 220 HH12 ARG 28 2HH1 ARG 28 6.295 13.721 -15.390 221 HH21 ARG 28 1HH2 ARG 28 5.410 10.345 -15.202 222 HH22 ARG 28 2HH2 ARG 28 6.081 11.592 -16.199 223 H SER 29 H SER 29 7.208 7.824 -9.127 224 HA SER 29 HA SER 29 9.540 8.093 -10.714 225 HB2 SER 29 2HB SER 29 10.187 5.950 -9.852 226 HB3 SER 29 1HB SER 29 9.360 6.805 -8.549 227 HG SER 29 HG SER 29 8.281 4.790 -10.232 228 H GLY 30 H GLY 30 6.484 6.437 -11.162 229 HA2 GLY 30 2HA GLY 30 5.542 5.762 -13.180 230 HA3 GLY 30 1HA GLY 30 7.068 6.108 -13.979 231 H ILE 31 H ILE 31 6.512 4.005 -11.189 232 HA ILE 31 HA ILE 31 7.694 1.799 -12.719 233 HB ILE 31 HB ILE 31 8.786 2.365 -10.593 234 HG12 ILE 31 2HG1 ILE 31 7.364 -0.306 -10.524 235 HG13 ILE 31 1HG1 ILE 31 8.837 0.046 -11.423 236 HG21 ILE 31 1HG2 ILE 31 6.829 1.270 -8.789 237 HG22 ILE 31 2HG2 ILE 31 6.170 2.658 -9.654 238 HG23 ILE 31 3HG2 ILE 31 7.665 2.822 -8.732 239 HD11 ILE 31 3HD1 ILE 31 9.054 -1.156 -9.187 240 HD12 ILE 31 1HD1 ILE 31 8.691 0.406 -8.455 241 HD13 ILE 31 2HD1 ILE 31 10.113 0.223 -9.481 242 H SER 32 H SER 32 6.594 -0.014 -13.195 243 HA SER 32 HA SER 32 3.754 -0.041 -12.861 244 HB2 SER 32 2HB SER 32 4.698 -0.950 -14.892 245 HB3 SER 32 1HB SER 32 5.667 -2.104 -13.975 246 HG SER 32 HG SER 32 3.771 -3.138 -13.345 247 H ILE 33 H ILE 33 2.627 -0.840 -11.220 248 HA ILE 33 HA ILE 33 3.654 -3.107 -9.702 249 HB ILE 33 HB ILE 33 3.316 -2.066 -7.543 250 HG12 ILE 33 2HG1 ILE 33 2.638 0.433 -9.113 251 HG13 ILE 33 1HG1 ILE 33 1.526 -0.508 -8.125 252 HG21 ILE 33 1HG2 ILE 33 5.277 -0.829 -7.461 253 HG22 ILE 33 2HG2 ILE 33 5.010 -0.115 -9.052 254 HG23 ILE 33 3HG2 ILE 33 5.487 -1.807 -8.912 255 HD11 ILE 33 3HD1 ILE 33 3.852 1.147 -7.197 256 HD12 ILE 33 1HD1 ILE 33 2.965 0.035 -6.154 257 HD13 ILE 33 2HD1 ILE 33 2.137 1.410 -6.884 258 H ASN 34 H ASN 34 1.940 -3.684 -7.933 259 HA ASN 34 HA ASN 34 -0.578 -3.962 -9.333 260 HB2 ASN 34 2HB ASN 34 0.836 -5.395 -7.260 261 HB3 ASN 34 1HB ASN 34 -0.822 -5.074 -6.759 262 HD21 ASN 34 1HD2 ASN 34 -2.295 -6.471 -7.385 263 HD22 ASN 34 2HD2 ASN 34 -2.151 -7.581 -8.701 264 H THR 35 H THR 35 -1.769 -2.133 -9.284 265 HA THR 35 HA THR 35 -1.875 -0.354 -7.080 266 HB THR 35 HB THR 35 -3.634 0.777 -8.294 267 HG1 THR 35 1HG THR 35 -4.508 -0.196 -10.179 268 HG21 THR 35 3HG2 THR 35 -1.140 0.356 -9.357 269 HG22 THR 35 1HG2 THR 35 -2.321 1.544 -9.909 270 HG23 THR 35 2HG2 THR 35 -2.222 -0.031 -10.695 271 H ASP 36 H ASP 36 -3.701 -3.163 -8.023 272 HA ASP 36 HA ASP 36 -5.948 -2.791 -6.356 273 HB2 ASP 36 2HB ASP 36 -4.923 -4.809 -8.112 274 HB3 ASP 36 1HB ASP 36 -5.398 -5.570 -6.600 275 H ASN 37 H ASN 37 -2.848 -4.419 -5.883 276 HA ASN 37 HA ASN 37 -3.477 -5.215 -3.188 277 HB2 ASN 37 2HB ASN 37 -0.786 -5.208 -4.567 278 HB3 ASN 37 1HB ASN 37 -1.234 -6.115 -3.126 279 HD21 ASN 37 1HD2 ASN 37 -0.138 -7.372 -5.286 280 HD22 ASN 37 2HD2 ASN 37 -1.325 -8.376 -6.042 281 H ALA 38 H ALA 38 -1.607 -2.676 -4.757 282 HA ALA 38 HA ALA 38 -0.279 -1.642 -2.534 283 HB1 ALA 38 1HB ALA 38 -1.229 -0.367 -5.082 284 HB2 ALA 38 2HB ALA 38 0.404 -0.861 -4.639 285 HB3 ALA 38 3HB ALA 38 -0.337 0.535 -3.858 286 H ASP 39 H ASP 39 -3.475 -0.822 -3.850 287 HA ASP 39 HA ASP 39 -4.072 1.203 -1.981 288 HB2 ASP 39 2HB ASP 39 -5.235 0.576 -4.229 289 HB3 ASP 39 1HB ASP 39 -6.194 -0.513 -3.231 290 H LEU 40 H LEU 40 -3.896 0.762 0.139 291 HA LEU 40 HA LEU 40 -4.835 -1.754 1.225 292 HB2 LEU 40 2HB LEU 40 -3.300 0.579 2.241 293 HB3 LEU 40 1HB LEU 40 -4.188 -0.372 3.416 294 HG LEU 40 HG LEU 40 -1.811 -1.046 3.175 295 HD11 LEU 40 1HD1 LEU 40 -4.113 -2.862 2.785 296 HD12 LEU 40 2HD1 LEU 40 -2.928 -2.790 4.091 297 HD13 LEU 40 3HD1 LEU 40 -2.503 -3.545 2.554 298 HD21 LEU 40 3HD2 LEU 40 -1.314 -0.715 0.912 299 HD22 LEU 40 1HD2 LEU 40 -2.717 -1.640 0.376 300 HD23 LEU 40 2HD2 LEU 40 -1.340 -2.467 1.105 301 H ASN 41 H ASN 41 -5.855 1.599 1.114 302 HA ASN 41 HA ASN 41 -8.082 1.054 2.919 303 HB2 ASN 41 2HB ASN 41 -8.476 3.431 2.919 304 HB3 ASN 41 1HB ASN 41 -6.754 3.149 3.154 305 HD21 ASN 41 1HD2 ASN 41 -7.186 5.560 2.461 306 HD22 ASN 41 2HD2 ASN 41 -6.899 5.867 0.787 307 H GLU 42 H GLU 42 -7.451 0.952 -0.392 308 HA GLU 42 HA GLU 42 -8.762 0.704 -2.233 309 HB2 GLU 42 2HB GLU 42 -10.762 0.035 -0.077 310 HB3 GLU 42 1HB GLU 42 -11.143 -0.078 -1.790 311 HG2 GLU 42 2HG GLU 42 -9.052 -1.630 -0.286 312 HG3 GLU 42 1HG GLU 42 -10.550 -2.246 -0.983 313 H ASP 43 H ASP 43 -8.369 3.320 -1.347 314 HA ASP 43 HA ASP 43 -10.858 4.747 -1.328 315 HB2 ASP 43 2HB ASP 43 -9.429 6.769 -1.425 316 HB3 ASP 43 1HB ASP 43 -8.949 5.663 -0.141 317 H GLY 44 H GLY 44 -8.969 3.368 -3.773 318 HA2 GLY 44 2HA GLY 44 -9.873 3.305 -6.007 319 HA3 GLY 44 1HA GLY 44 -10.423 4.957 -5.782 320 H ARG 45 H ARG 45 -7.361 4.706 -4.494 321 HA ARG 45 HA ARG 45 -5.789 4.846 -6.861 322 HB2 ARG 45 2HB ARG 45 -5.125 7.282 -6.485 323 HB3 ARG 45 1HB ARG 45 -6.684 6.991 -7.244 324 HG2 ARG 45 2HG ARG 45 -7.815 7.395 -5.140 325 HG3 ARG 45 1HG ARG 45 -6.264 7.609 -4.327 326 HD2 ARG 45 2HD ARG 45 -5.955 9.687 -5.173 327 HD3 ARG 45 1HD ARG 45 -6.733 9.293 -6.705 328 HE ARG 45 HE ARG 45 -7.968 10.428 -4.376 329 HH11 ARG 45 1HH1 ARG 45 -8.519 8.555 -7.268 330 HH12 ARG 45 2HH1 ARG 45 -10.196 8.974 -7.369 331 HH21 ARG 45 1HH2 ARG 45 -10.173 10.980 -4.508 332 HH22 ARG 45 2HH2 ARG 45 -11.136 10.351 -5.803 333 H VAL 46 H VAL 46 -3.569 4.928 -6.425 334 HA VAL 46 HA VAL 46 -2.874 4.189 -3.718 335 HB VAL 46 HB VAL 46 -1.013 4.513 -6.073 336 HG11 VAL 46 1HG1 VAL 46 -0.024 4.404 -3.779 337 HG12 VAL 46 2HG1 VAL 46 0.484 3.104 -4.857 338 HG13 VAL 46 3HG1 VAL 46 -0.728 2.797 -3.614 339 HG21 VAL 46 3HG2 VAL 46 -1.267 2.012 -6.268 340 HG22 VAL 46 1HG2 VAL 46 -2.663 2.961 -6.779 341 HG23 VAL 46 2HG2 VAL 46 -2.671 2.153 -5.211 342 H ASN 47 H ASN 47 -2.942 5.958 -2.407 343 HA ASN 47 HA ASN 47 -1.250 8.250 -3.154 344 HB2 ASN 47 2HB ASN 47 -2.600 9.429 -1.313 345 HB3 ASN 47 1HB ASN 47 -3.427 9.082 -2.828 346 HD21 ASN 47 1HD2 ASN 47 -5.461 8.674 -2.340 347 HD22 ASN 47 2HD2 ASN 47 -6.010 7.587 -1.115 348 H SER 48 H SER 48 -0.638 9.456 -0.926 349 HA SER 48 HA SER 48 1.377 7.919 0.242 350 HB2 SER 48 2HB SER 48 0.216 10.585 0.658 351 HB3 SER 48 1HB SER 48 0.914 9.877 2.116 352 HG SER 48 HG SER 48 2.306 9.916 -0.344 353 H THR 49 H THR 49 -1.974 8.331 1.108 354 HA THR 49 HA THR 49 -1.918 7.477 3.765 355 HB THR 49 HB THR 49 -4.161 6.730 1.913 356 HG1 THR 49 1HG THR 49 -4.283 8.727 1.323 357 HG21 THR 49 3HG2 THR 49 -4.926 6.197 3.969 358 HG22 THR 49 1HG2 THR 49 -5.342 7.911 3.977 359 HG23 THR 49 2HG2 THR 49 -3.876 7.355 4.786 360 H ASP 50 H ASP 50 -2.413 5.573 0.797 361 HA ASP 50 HA ASP 50 -2.657 3.070 2.015 362 HB2 ASP 50 2HB ASP 50 -1.468 3.659 -0.704 363 HB3 ASP 50 1HB ASP 50 -2.157 2.129 -0.172 364 H LEU 51 H LEU 51 0.210 4.809 0.882 365 HA LEU 51 HA LEU 51 2.085 2.768 1.305 366 HB2 LEU 51 2HB LEU 51 2.376 5.013 0.105 367 HB3 LEU 51 1HB LEU 51 2.665 5.694 1.695 368 HG LEU 51 HG LEU 51 4.303 3.332 1.073 369 HD11 LEU 51 1HD1 LEU 51 4.113 4.556 -1.130 370 HD12 LEU 51 2HD1 LEU 51 5.745 4.345 -0.494 371 HD13 LEU 51 3HD1 LEU 51 4.935 5.905 -0.345 372 HD21 LEU 51 3HD2 LEU 51 4.822 4.466 3.051 373 HD22 LEU 51 1HD2 LEU 51 4.701 6.048 2.284 374 HD23 LEU 51 2HD2 LEU 51 6.062 4.990 1.912 375 H GLY 52 H GLY 52 0.883 5.310 3.461 376 HA2 GLY 52 2HA GLY 52 2.592 4.717 5.636 377 HA3 GLY 52 1HA GLY 52 1.067 5.586 5.735 378 H ILE 53 H ILE 53 -0.406 3.311 4.545 379 HA ILE 53 HA ILE 53 -0.954 1.924 6.998 380 HB ILE 53 HB ILE 53 -2.067 1.398 4.237 381 HG12 ILE 53 2HG1 ILE 53 -3.613 2.835 6.336 382 HG13 ILE 53 1HG1 ILE 53 -2.345 3.733 5.509 383 HG21 ILE 53 1HG2 ILE 53 -4.006 0.523 5.699 384 HG22 ILE 53 2HG2 ILE 53 -2.793 0.430 6.976 385 HG23 ILE 53 3HG2 ILE 53 -2.579 -0.491 5.487 386 HD11 ILE 53 3HD1 ILE 53 -4.982 3.097 4.625 387 HD12 ILE 53 1HD1 ILE 53 -3.801 2.406 3.512 388 HD13 ILE 53 2HD1 ILE 53 -3.770 4.132 3.872 389 H LEU 54 H LEU 54 0.633 1.176 3.950 390 HA LEU 54 HA LEU 54 0.864 -1.610 4.324 391 HB2 LEU 54 2HB LEU 54 1.399 0.073 2.282 392 HB3 LEU 54 1HB LEU 54 3.027 -0.216 2.865 393 HG LEU 54 HG LEU 54 1.297 -2.590 2.407 394 HD11 LEU 54 1HD1 LEU 54 0.775 -1.490 0.403 395 HD12 LEU 54 2HD1 LEU 54 2.119 -2.560 -0.002 396 HD13 LEU 54 3HD1 LEU 54 2.405 -0.837 0.238 397 HD21 LEU 54 3HD2 LEU 54 3.689 -3.156 1.352 398 HD22 LEU 54 1HD2 LEU 54 3.330 -3.329 3.070 399 HD23 LEU 54 2HD2 LEU 54 4.167 -1.891 2.484 400 H LYS 55 H LYS 55 2.880 1.106 5.301 401 HA LYS 55 HA LYS 55 5.105 -0.396 6.178 402 HB2 LYS 55 2HB LYS 55 4.155 2.377 6.416 403 HB3 LYS 55 1HB LYS 55 5.147 1.838 7.764 404 HG2 LYS 55 2HG LYS 55 6.745 1.000 5.877 405 HG3 LYS 55 1HG LYS 55 5.868 2.173 4.893 406 HD2 LYS 55 2HD LYS 55 6.885 3.911 5.873 407 HD3 LYS 55 1HD LYS 55 6.668 3.233 7.489 408 HE2 LYS 55 2HE LYS 55 8.581 1.703 7.025 409 HE3 LYS 55 1HE LYS 55 8.840 2.564 5.508 410 HZ1 LYS 55 3HZ LYS 55 9.228 4.589 6.752 411 HZ2 LYS 55 1HZ LYS 55 10.288 3.376 7.270 412 HZ3 LYS 55 2HZ LYS 55 8.945 3.785 8.213 413 H ARG 56 H ARG 56 2.307 0.923 7.937 414 HA ARG 56 HA ARG 56 3.028 0.005 10.481 415 HB2 ARG 56 2HB ARG 56 0.281 0.478 9.312 416 HB3 ARG 56 1HB ARG 56 0.610 0.237 11.022 417 HG2 ARG 56 2HG ARG 56 1.847 2.266 11.151 418 HG3 ARG 56 1HG ARG 56 1.820 2.460 9.397 419 HD2 ARG 56 2HD ARG 56 -0.504 2.911 9.390 420 HD3 ARG 56 1HD ARG 56 -0.684 2.377 11.061 421 HE ARG 56 HE ARG 56 1.086 4.491 11.121 422 HH11 ARG 56 1HH1 ARG 56 -2.221 3.977 10.134 423 HH12 ARG 56 2HH1 ARG 56 -2.711 5.598 10.493 424 HH21 ARG 56 1HH2 ARG 56 0.443 6.624 11.592 425 HH22 ARG 56 2HH2 ARG 56 -1.199 7.102 11.320 426 H TYR 57 H TYR 57 1.260 -1.556 7.862 427 HA TYR 57 HA TYR 57 0.386 -3.819 9.282 428 HB2 TYR 57 2HB TYR 57 -0.421 -3.107 7.017 429 HB3 TYR 57 1HB TYR 57 1.097 -3.692 6.345 430 HD1 TYR 57 2HD TYR 57 -1.682 -4.907 8.536 431 HD2 TYR 57 1HD TYR 57 1.117 -5.823 5.466 432 HE1 TYR 57 2HE TYR 57 -2.648 -7.159 8.336 433 HE2 TYR 57 1HE TYR 57 0.158 -8.078 5.256 434 HH TYR 57 HH TYR 57 -2.711 -8.957 6.264 435 H ILE 58 H ILE 58 3.334 -3.220 7.409 436 HA ILE 58 HA ILE 58 4.398 -5.837 7.804 437 HB ILE 58 HB ILE 58 5.913 -3.332 7.070 438 HG12 ILE 58 2HG1 ILE 58 4.922 -5.333 5.072 439 HG13 ILE 58 1HG1 ILE 58 3.835 -4.071 5.644 440 HG21 ILE 58 1HG2 ILE 58 6.580 -6.196 7.221 441 HG22 ILE 58 2HG2 ILE 58 7.616 -4.777 7.370 442 HG23 ILE 58 3HG2 ILE 58 7.136 -5.354 5.775 443 HD11 ILE 58 3HD1 ILE 58 6.411 -3.011 4.861 444 HD12 ILE 58 1HD1 ILE 58 4.790 -2.546 4.347 445 HD13 ILE 58 2HD1 ILE 58 5.617 -3.885 3.551 446 H LEU 59 H LEU 59 4.336 -2.956 9.695 447 HA LEU 59 HA LEU 59 6.573 -3.810 11.360 448 HB2 LEU 59 2HB LEU 59 5.067 -1.312 10.947 449 HB3 LEU 59 1HB LEU 59 5.567 -1.610 12.601 450 HG LEU 59 HG LEU 59 7.916 -2.015 11.561 451 HD11 LEU 59 1HD1 LEU 59 7.127 -0.055 9.502 452 HD12 LEU 59 2HD1 LEU 59 6.646 -1.727 9.219 453 HD13 LEU 59 3HD1 LEU 59 8.347 -1.328 9.454 454 HD21 LEU 59 3HD2 LEU 59 8.366 0.435 11.665 455 HD22 LEU 59 1HD2 LEU 59 7.482 -0.196 13.055 456 HD23 LEU 59 2HD2 LEU 59 6.628 0.698 11.798 457 H LYS 60 H LYS 60 3.758 -5.086 11.178 458 HA LYS 60 HA LYS 60 2.272 -6.092 12.573 459 HB2 LYS 60 2HB LYS 60 4.835 -6.329 13.732 460 HB3 LYS 60 1HB LYS 60 3.730 -5.962 15.050 461 HG2 LYS 60 2HG LYS 60 3.478 -8.197 15.068 462 HG3 LYS 60 1HG LYS 60 2.305 -7.850 13.796 463 HD2 LYS 60 2HD LYS 60 3.685 -8.614 12.128 464 HD3 LYS 60 1HD LYS 60 5.156 -8.263 13.038 465 HE2 LYS 60 2HE LYS 60 4.031 -10.147 14.615 466 HE3 LYS 60 1HE LYS 60 3.452 -10.667 13.033 467 HZ1 LYS 60 3HZ LYS 60 5.847 -10.482 12.303 468 HZ2 LYS 60 1HZ LYS 60 5.485 -11.754 13.359 469 HZ3 LYS 60 2HZ LYS 60 6.252 -10.363 13.941 470 H GLU 61 H GLU 61 2.129 -3.214 12.324 471 HA GLU 61 HA GLU 61 1.328 -2.310 14.982 472 HB2 GLU 61 2HB GLU 61 1.637 -0.908 12.332 473 HB3 GLU 61 1HB GLU 61 0.894 -0.130 13.723 474 HG2 GLU 61 2HG GLU 61 3.633 -1.339 13.861 475 HG3 GLU 61 1HG GLU 61 3.363 0.310 13.300 476 H ILE 62 H ILE 62 -0.061 -2.771 11.749 477 HA ILE 62 HA ILE 62 -2.742 -2.603 12.962 478 HB ILE 62 HB ILE 62 -3.565 -2.154 10.647 479 HG12 ILE 62 2HG1 ILE 62 -0.672 -1.614 9.976 480 HG13 ILE 62 1HG1 ILE 62 -1.469 -3.130 9.571 481 HG21 ILE 62 1HG2 ILE 62 -1.649 -0.263 11.979 482 HG22 ILE 62 2HG2 ILE 62 -3.410 -0.287 12.063 483 HG23 ILE 62 3HG2 ILE 62 -2.605 0.203 10.572 484 HD11 ILE 62 3HD1 ILE 62 -3.155 -1.103 8.637 485 HD12 ILE 62 1HD1 ILE 62 -2.147 -2.195 7.689 486 HD13 ILE 62 2HD1 ILE 62 -1.517 -0.627 8.192 487 H ASP 63 H ASP 63 -4.108 -4.292 12.784 488 HA ASP 63 HA ASP 63 -3.152 -6.637 11.278 489 HB2 ASP 63 2HB ASP 63 -4.631 -6.405 13.887 490 HB3 ASP 63 1HB ASP 63 -4.693 -7.890 12.941 491 H THR 64 H THR 64 -5.844 -4.517 11.914 492 HA THR 64 HA THR 64 -7.766 -6.123 10.500 493 HB THR 64 HB THR 64 -7.925 -3.228 11.358 494 HG1 THR 64 1HG THR 64 -8.874 -5.566 12.650 495 HG21 THR 64 3HG2 THR 64 -10.386 -3.687 11.377 496 HG22 THR 64 1HG2 THR 64 -10.044 -5.160 10.471 497 HG23 THR 64 2HG2 THR 64 -9.645 -3.587 9.780 498 H LEU 65 H LEU 65 -7.990 -6.237 8.375 499 HA LEU 65 HA LEU 65 -7.356 -3.903 6.731 500 HB2 LEU 65 2HB LEU 65 -5.815 -6.338 6.830 501 HB3 LEU 65 1HB LEU 65 -6.501 -6.123 5.231 502 HG LEU 65 HG LEU 65 -5.419 -3.984 4.984 503 HD11 LEU 65 1HD1 LEU 65 -5.419 -2.912 7.014 504 HD12 LEU 65 2HD1 LEU 65 -3.729 -3.401 6.890 505 HD13 LEU 65 3HD1 LEU 65 -4.845 -4.333 7.888 506 HD21 LEU 65 3HD2 LEU 65 -3.148 -5.473 6.113 507 HD22 LEU 65 1HD2 LEU 65 -3.397 -4.838 4.488 508 HD23 LEU 65 2HD2 LEU 65 -4.142 -6.364 4.961 509 HA PRO 66 HA PRO 66 -7.262 -3.597 4.473 510 HB2 PRO 66 2HB PRO 66 -8.850 -2.062 2.936 511 HB3 PRO 66 1HB PRO 66 -8.253 -3.634 2.389 512 HG2 PRO 66 2HG PRO 66 -10.930 -2.910 3.511 513 HG3 PRO 66 1HG PRO 66 -10.537 -3.969 2.145 514 HD2 PRO 66 2HD PRO 66 -11.140 -4.889 4.648 515 HD3 PRO 66 1HD PRO 66 -10.109 -5.766 3.501 516 H TYR 67 H TYR 67 -7.271 -1.107 4.435 517 HA TYR 67 HA TYR 67 -7.989 -0.197 7.033 518 HB2 TYR 67 2HB TYR 67 -5.984 0.609 5.846 519 HB3 TYR 67 1HB TYR 67 -7.011 1.381 4.644 520 HD1 TYR 67 2HD TYR 67 -6.434 1.347 8.334 521 HD2 TYR 67 1HD TYR 67 -7.543 3.617 4.912 522 HE1 TYR 67 2HE TYR 67 -6.505 3.381 9.713 523 HE2 TYR 67 1HE TYR 67 -7.616 5.657 6.280 524 HH TYR 67 HH TYR 67 -7.492 5.581 9.704 525 H LYS 68 H LYS 68 -9.597 1.155 7.698 526 HA LYS 68 HA LYS 68 -11.721 1.695 5.735 527 HB2 LYS 68 2HB LYS 68 -12.097 0.221 7.847 528 HB3 LYS 68 1HB LYS 68 -12.131 1.754 8.708 529 HG2 LYS 68 2HG LYS 68 -13.873 2.350 6.796 530 HG3 LYS 68 1HG LYS 68 -14.083 0.598 6.804 531 HD2 LYS 68 2HD LYS 68 -15.653 1.304 8.358 532 HD3 LYS 68 1HD LYS 68 -14.273 0.879 9.372 533 HE2 LYS 68 2HE LYS 68 -13.888 3.024 9.977 534 HE3 LYS 68 1HE LYS 68 -14.353 3.663 8.401 535 HZ1 LYS 68 3HZ LYS 68 -16.344 2.591 10.310 536 HZ2 LYS 68 1HZ LYS 68 -16.610 3.581 8.964 537 HZ3 LYS 68 2HZ LYS 68 -15.854 4.209 10.341 538 H ASN 69 H ASN 69 -10.827 3.659 5.001 539 HA ASN 69 HA ASN 69 -9.994 5.779 6.623 540 HB2 ASN 69 2HB ASN 69 -10.413 7.203 4.620 541 HB3 ASN 69 1HB ASN 69 -9.476 5.755 4.263 542 HD21 ASN 69 1HD2 ASN 69 -10.401 4.108 3.058 543 HD22 ASN 69 2HD2 ASN 69 -11.845 4.338 2.139 Start of MODEL 5 1 H1 SER 1 1HT SER 1 -0.221 -15.385 -7.668 2 H2 SER 1 2HT SER 1 1.252 -14.551 -7.949 3 H3 SER 1 3HT SER 1 -0.216 -13.944 -8.597 4 HA SER 1 HA SER 1 0.248 -14.278 -5.719 5 HB2 SER 1 2HB SER 1 0.833 -11.885 -5.691 6 HB3 SER 1 1HB SER 1 1.976 -12.804 -6.671 7 HG SER 1 HG SER 1 0.994 -12.033 -8.512 8 H THR 2 H THR 2 -1.807 -14.571 -5.062 9 HA THR 2 HA THR 2 -4.100 -13.569 -6.337 10 HB THR 2 HB THR 2 -4.279 -15.446 -4.844 11 HG1 THR 2 1HG THR 2 -6.188 -14.540 -4.685 12 HG21 THR 2 3HG2 THR 2 -4.141 -14.210 -2.284 13 HG22 THR 2 1HG2 THR 2 -2.611 -13.972 -3.128 14 HG23 THR 2 2HG2 THR 2 -3.248 -15.600 -2.901 15 H LYS 3 H LYS 3 -5.712 -12.111 -5.168 16 HA LYS 3 HA LYS 3 -4.593 -9.529 -4.948 17 HB2 LYS 3 2HB LYS 3 -7.083 -10.467 -5.425 18 HB3 LYS 3 1HB LYS 3 -7.256 -9.989 -3.742 19 HG2 LYS 3 2HG LYS 3 -6.159 -7.766 -4.567 20 HG3 LYS 3 1HG LYS 3 -6.730 -8.311 -6.145 21 HD2 LYS 3 2HD LYS 3 -8.976 -8.283 -5.464 22 HD3 LYS 3 1HD LYS 3 -8.545 -8.223 -3.754 23 HE2 LYS 3 2HE LYS 3 -7.805 -5.971 -3.935 24 HE3 LYS 3 1HE LYS 3 -7.895 -6.017 -5.695 25 HZ1 LYS 3 3HZ LYS 3 -9.811 -4.904 -5.094 26 HZ2 LYS 3 1HZ LYS 3 -10.092 -5.873 -3.736 27 HZ3 LYS 3 2HZ LYS 3 -10.373 -6.487 -5.286 28 H LEU 4 H LEU 4 -3.016 -9.583 -3.327 29 HA LEU 4 HA LEU 4 -4.021 -9.915 -0.581 30 HB2 LEU 4 2HB LEU 4 -2.010 -11.276 -1.586 31 HB3 LEU 4 1HB LEU 4 -1.109 -9.812 -1.241 32 HG LEU 4 HG LEU 4 -2.755 -11.058 0.923 33 HD11 LEU 4 1HD1 LEU 4 -1.340 -12.762 1.340 34 HD12 LEU 4 2HD1 LEU 4 0.069 -11.883 0.746 35 HD13 LEU 4 3HD1 LEU 4 -1.039 -12.649 -0.394 36 HD21 LEU 4 3HD2 LEU 4 -1.302 -8.797 0.840 37 HD22 LEU 4 1HD2 LEU 4 -0.066 -9.935 1.373 38 HD23 LEU 4 2HD2 LEU 4 -1.550 -9.744 2.306 39 H TYR 5 H TYR 5 -4.240 -8.153 0.623 40 HA TYR 5 HA TYR 5 -3.609 -5.573 -0.337 41 HB2 TYR 5 2HB TYR 5 -4.338 -6.484 2.454 42 HB3 TYR 5 1HB TYR 5 -4.291 -4.806 1.923 43 HD1 TYR 5 2HD TYR 5 -5.815 -4.192 -0.088 44 HD2 TYR 5 1HD TYR 5 -6.313 -7.696 2.272 45 HE1 TYR 5 2HE TYR 5 -8.148 -4.362 -0.845 46 HE2 TYR 5 1HE TYR 5 -8.649 -7.877 1.522 47 HH TYR 5 HH TYR 5 -10.405 -5.685 0.431 48 H GLY 6 H GLY 6 -1.542 -4.998 -0.645 49 HA2 GLY 6 2HA GLY 6 0.345 -3.955 0.498 50 HA3 GLY 6 1HA GLY 6 0.288 -5.274 1.657 51 H ASP 7 H ASP 7 -0.047 -5.710 -1.802 52 HA ASP 7 HA ASP 7 2.674 -6.814 -1.923 53 HB2 ASP 7 2HB ASP 7 1.096 -8.679 -1.618 54 HB3 ASP 7 1HB ASP 7 0.190 -8.145 -3.031 55 H VAL 8 H VAL 8 3.363 -4.989 -3.060 56 HA VAL 8 HA VAL 8 2.030 -4.246 -5.525 57 HB VAL 8 HB VAL 8 3.910 -2.586 -5.719 58 HG11 VAL 8 1HG1 VAL 8 2.951 -1.084 -4.196 59 HG12 VAL 8 2HG1 VAL 8 2.536 -2.367 -3.059 60 HG13 VAL 8 3HG1 VAL 8 1.656 -2.218 -4.580 61 HG21 VAL 8 3HG2 VAL 8 5.460 -4.012 -4.287 62 HG22 VAL 8 1HG2 VAL 8 4.589 -3.363 -2.897 63 HG23 VAL 8 2HG2 VAL 8 5.460 -2.276 -3.979 64 H ASN 9 H ASN 9 4.905 -5.972 -4.504 65 HA ASN 9 HA ASN 9 6.049 -6.104 -7.133 66 HB2 ASN 9 2HB ASN 9 7.589 -7.787 -6.053 67 HB3 ASN 9 1HB ASN 9 7.572 -6.195 -5.299 68 HD21 ASN 9 1HD2 ASN 9 8.154 -6.765 -3.278 69 HD22 ASN 9 2HD2 ASN 9 7.215 -7.790 -2.250 70 H ASP 10 H ASP 10 3.473 -7.686 -5.682 71 HA ASP 10 HA ASP 10 2.208 -9.484 -6.256 72 HB2 ASP 10 2HB ASP 10 3.794 -9.242 -8.820 73 HB3 ASP 10 1HB ASP 10 2.402 -10.300 -8.613 74 H ASP 11 H ASP 11 3.936 -10.276 -4.526 75 HA ASP 11 HA ASP 11 5.280 -12.650 -5.637 76 HB2 ASP 11 2HB ASP 11 6.732 -12.584 -3.644 77 HB3 ASP 11 1HB ASP 11 6.841 -11.099 -4.584 78 H GLY 12 H GLY 12 2.751 -11.573 -3.612 79 HA2 GLY 12 2HA GLY 12 1.048 -13.043 -2.856 80 HA3 GLY 12 1HA GLY 12 2.224 -14.349 -2.831 81 H LYS 13 H LYS 13 3.129 -11.308 -1.462 82 HA LYS 13 HA LYS 13 2.214 -11.804 1.186 83 HB2 LYS 13 2HB LYS 13 4.086 -13.519 0.825 84 HB3 LYS 13 1HB LYS 13 5.185 -12.147 0.829 85 HG2 LYS 13 2HG LYS 13 5.150 -12.010 3.044 86 HG3 LYS 13 1HG LYS 13 3.388 -12.081 3.095 87 HD2 LYS 13 2HD LYS 13 3.740 -14.060 4.113 88 HD3 LYS 13 1HD LYS 13 3.982 -14.648 2.468 89 HE2 LYS 13 2HE LYS 13 5.943 -15.394 3.279 90 HE3 LYS 13 1HE LYS 13 6.459 -13.724 3.041 91 HZ1 LYS 13 3HZ LYS 13 5.811 -13.286 5.365 92 HZ2 LYS 13 1HZ LYS 13 7.051 -14.430 5.235 93 HZ3 LYS 13 2HZ LYS 13 5.470 -14.930 5.567 94 H VAL 14 H VAL 14 2.930 -10.175 2.701 95 HA VAL 14 HA VAL 14 3.621 -7.686 1.330 96 HB VAL 14 HB VAL 14 2.699 -8.026 4.185 97 HG11 VAL 14 1HG1 VAL 14 3.695 -5.914 3.960 98 HG12 VAL 14 2HG1 VAL 14 1.967 -5.616 3.768 99 HG13 VAL 14 3HG1 VAL 14 3.016 -5.669 2.351 100 HG21 VAL 14 3HG2 VAL 14 1.163 -7.822 1.630 101 HG22 VAL 14 1HG2 VAL 14 0.506 -7.117 3.107 102 HG23 VAL 14 2HG2 VAL 14 0.870 -8.841 3.038 103 H ASN 15 H ASN 15 5.803 -7.596 1.130 104 HA ASN 15 HA ASN 15 7.410 -7.958 3.571 105 HB2 ASN 15 2HB ASN 15 7.811 -9.316 1.351 106 HB3 ASN 15 1HB ASN 15 8.638 -7.846 0.844 107 HD21 ASN 15 1HD2 ASN 15 9.832 -10.385 1.209 108 HD22 ASN 15 2HD2 ASN 15 10.995 -10.242 2.478 109 H SER 16 H SER 16 9.497 -6.583 3.478 110 HA SER 16 HA SER 16 8.756 -3.875 3.627 111 HB2 SER 16 2HB SER 16 11.306 -5.398 3.829 112 HB3 SER 16 1HB SER 16 11.422 -3.661 3.546 113 HG SER 16 HG SER 16 9.866 -4.814 5.616 114 H THR 17 H THR 17 10.175 -5.785 1.065 115 HA THR 17 HA THR 17 11.126 -3.728 -0.577 116 HB THR 17 HB THR 17 9.975 -6.403 -1.393 117 HG1 THR 17 1HG THR 17 11.731 -6.548 0.070 118 HG21 THR 17 3HG2 THR 17 12.049 -5.759 -3.101 119 HG22 THR 17 1HG2 THR 17 11.120 -4.266 -2.961 120 HG23 THR 17 2HG2 THR 17 10.325 -5.753 -3.480 121 H ASP 18 H ASP 18 7.901 -4.929 -0.026 122 HA ASP 18 HA ASP 18 6.691 -3.786 -2.326 123 HB2 ASP 18 2HB ASP 18 5.528 -4.630 0.333 124 HB3 ASP 18 1HB ASP 18 4.560 -4.112 -1.044 125 H ALA 19 H ALA 19 7.477 -2.583 0.856 126 HA ALA 19 HA ALA 19 5.839 -0.260 0.757 127 HB1 ALA 19 1HB ALA 19 8.294 -0.853 2.407 128 HB2 ALA 19 2HB ALA 19 6.617 -1.130 2.877 129 HB3 ALA 19 3HB ALA 19 7.211 0.516 2.653 130 H VAL 20 H VAL 20 9.336 -0.746 0.260 131 HA VAL 20 HA VAL 20 9.952 1.892 -0.433 132 HB VAL 20 HB VAL 20 11.671 0.233 0.120 133 HG11 VAL 20 1HG1 VAL 20 10.679 -1.692 -1.025 134 HG12 VAL 20 2HG1 VAL 20 12.362 -1.452 -1.493 135 HG13 VAL 20 3HG1 VAL 20 11.065 -0.960 -2.583 136 HG21 VAL 20 3HG2 VAL 20 12.477 2.152 -1.003 137 HG22 VAL 20 1HG2 VAL 20 11.892 1.574 -2.564 138 HG23 VAL 20 2HG2 VAL 20 13.252 0.771 -1.779 139 H ALA 21 H ALA 21 8.916 -0.838 -2.429 140 HA ALA 21 HA ALA 21 9.264 0.392 -4.936 141 HB1 ALA 21 1HB ALA 21 8.948 -1.828 -5.249 142 HB2 ALA 21 2HB ALA 21 7.272 -1.321 -5.458 143 HB3 ALA 21 3HB ALA 21 7.810 -1.968 -3.908 144 H LEU 22 H LEU 22 6.564 0.366 -2.668 145 HA LEU 22 HA LEU 22 4.724 1.681 -4.393 146 HB2 LEU 22 2HB LEU 22 4.003 0.336 -2.477 147 HB3 LEU 22 1HB LEU 22 4.763 1.474 -1.381 148 HG LEU 22 HG LEU 22 3.181 3.202 -1.999 149 HD11 LEU 22 1HD1 LEU 22 2.621 2.987 -4.205 150 HD12 LEU 22 2HD1 LEU 22 1.183 2.298 -3.450 151 HD13 LEU 22 3HD1 LEU 22 2.431 1.237 -4.103 152 HD21 LEU 22 3HD2 LEU 22 1.402 2.399 -0.795 153 HD22 LEU 22 1HD2 LEU 22 2.642 1.223 -0.364 154 HD23 LEU 22 2HD2 LEU 22 1.436 0.824 -1.587 155 H LYS 23 H LYS 23 7.050 2.771 -1.988 156 HA LYS 23 HA LYS 23 6.237 5.440 -1.778 157 HB2 LYS 23 2HB LYS 23 7.854 4.400 -0.254 158 HB3 LYS 23 1HB LYS 23 9.025 4.291 -1.559 159 HG2 LYS 23 2HG LYS 23 8.924 6.793 -1.726 160 HG3 LYS 23 1HG LYS 23 7.967 6.777 -0.242 161 HD2 LYS 23 2HD LYS 23 9.754 6.317 1.051 162 HD3 LYS 23 1HD LYS 23 10.453 5.212 -0.134 163 HE2 LYS 23 2HE LYS 23 11.198 7.148 -1.462 164 HE3 LYS 23 1HE LYS 23 10.550 8.225 -0.226 165 HZ1 LYS 23 3HZ LYS 23 12.261 7.813 1.154 166 HZ2 LYS 23 1HZ LYS 23 13.071 7.393 -0.271 167 HZ3 LYS 23 2HZ LYS 23 12.398 6.188 0.706 168 H ARG 24 H ARG 24 8.559 3.911 -3.986 169 HA ARG 24 HA ARG 24 9.396 6.236 -5.305 170 HB2 ARG 24 2HB ARG 24 9.177 3.431 -6.415 171 HB3 ARG 24 1HB ARG 24 10.131 4.737 -7.106 172 HG2 ARG 24 2HG ARG 24 11.681 4.688 -5.364 173 HG3 ARG 24 1HG ARG 24 10.596 3.790 -4.302 174 HD2 ARG 24 2HD ARG 24 11.169 1.801 -5.189 175 HD3 ARG 24 1HD ARG 24 11.263 2.443 -6.827 176 HE ARG 24 HE ARG 24 13.419 2.163 -4.947 177 HH11 ARG 24 1HH1 ARG 24 12.284 3.888 -7.761 178 HH12 ARG 24 2HH1 ARG 24 13.876 4.311 -8.297 179 HH21 ARG 24 1HH2 ARG 24 15.512 2.718 -5.651 180 HH22 ARG 24 2HH2 ARG 24 15.708 3.645 -7.100 181 H TYR 25 H TYR 25 6.659 4.087 -5.884 182 HA TYR 25 HA TYR 25 5.831 5.129 -8.348 183 HB2 TYR 25 2HB TYR 25 4.968 3.027 -7.371 184 HB3 TYR 25 1HB TYR 25 4.108 3.961 -6.152 185 HD1 TYR 25 2HD TYR 25 2.352 5.646 -6.986 186 HD2 TYR 25 1HD TYR 25 3.951 2.541 -9.416 187 HE1 TYR 25 2HE TYR 25 0.415 5.834 -8.488 188 HE2 TYR 25 1HE TYR 25 2.019 2.720 -10.926 189 HH TYR 25 HH TYR 25 0.310 4.698 -11.503 190 H VAL 26 H VAL 26 4.777 5.966 -5.053 191 HA VAL 26 HA VAL 26 2.980 7.993 -5.788 192 HB VAL 26 HB VAL 26 4.567 7.899 -3.223 193 HG11 VAL 26 1HG1 VAL 26 2.016 9.222 -4.074 194 HG12 VAL 26 2HG1 VAL 26 3.422 9.927 -3.277 195 HG13 VAL 26 3HG1 VAL 26 2.340 8.866 -2.377 196 HG21 VAL 26 3HG2 VAL 26 3.667 5.830 -3.058 197 HG22 VAL 26 1HG2 VAL 26 2.395 6.171 -4.231 198 HG23 VAL 26 2HG2 VAL 26 2.237 6.739 -2.568 199 H LEU 27 H LEU 27 6.408 7.940 -5.775 200 HA LEU 27 HA LEU 27 6.717 10.806 -5.542 201 HB2 LEU 27 2HB LEU 27 8.374 9.020 -4.748 202 HB3 LEU 27 1HB LEU 27 8.825 8.857 -6.434 203 HG LEU 27 HG LEU 27 9.139 11.489 -6.230 204 HD11 LEU 27 1HD1 LEU 27 8.354 11.542 -3.892 205 HD12 LEU 27 2HD1 LEU 27 10.006 12.133 -4.071 206 HD13 LEU 27 3HD1 LEU 27 9.713 10.514 -3.436 207 HD21 LEU 27 3HD2 LEU 27 11.042 9.316 -5.393 208 HD22 LEU 27 1HD2 LEU 27 11.536 11.000 -5.573 209 HD23 LEU 27 2HD2 LEU 27 10.909 10.111 -6.962 210 H ARG 28 H ARG 28 5.457 9.058 -7.932 211 HA ARG 28 HA ARG 28 5.114 9.402 -10.150 212 HB2 ARG 28 2HB ARG 28 5.856 11.983 -9.094 213 HB3 ARG 28 1HB ARG 28 6.447 11.810 -10.741 214 HG2 ARG 28 2HG ARG 28 3.599 11.316 -9.905 215 HG3 ARG 28 1HG ARG 28 4.198 12.836 -10.574 216 HD2 ARG 28 2HD ARG 28 4.508 11.947 -12.671 217 HD3 ARG 28 1HD ARG 28 4.706 10.304 -12.062 218 HE ARG 28 HE ARG 28 2.460 10.003 -12.302 219 HH11 ARG 28 1HH1 ARG 28 3.101 13.432 -12.207 220 HH12 ARG 28 2HH1 ARG 28 1.464 13.874 -12.557 221 HH21 ARG 28 1HH2 ARG 28 0.307 10.582 -12.763 222 HH22 ARG 28 2HH2 ARG 28 -0.123 12.257 -12.872 223 H SER 29 H SER 29 7.420 7.953 -9.260 224 HA SER 29 HA SER 29 9.688 8.673 -10.840 225 HB2 SER 29 2HB SER 29 9.377 7.065 -8.697 226 HB3 SER 29 1HB SER 29 9.373 5.853 -9.978 227 HG SER 29 HG SER 29 11.452 7.113 -8.924 228 H GLY 30 H GLY 30 6.870 6.657 -11.312 229 HA2 GLY 30 2HA GLY 30 6.017 6.126 -13.456 230 HA3 GLY 30 1HA GLY 30 7.625 6.355 -14.125 231 H ILE 31 H ILE 31 7.007 4.440 -11.264 232 HA ILE 31 HA ILE 31 8.100 2.109 -12.626 233 HB ILE 31 HB ILE 31 8.996 2.694 -10.423 234 HG12 ILE 31 2HG1 ILE 31 7.414 0.118 -10.319 235 HG13 ILE 31 1HG1 ILE 31 8.933 0.323 -11.186 236 HG21 ILE 31 1HG2 ILE 31 7.183 1.924 -8.546 237 HG22 ILE 31 2HG2 ILE 31 6.155 2.742 -9.721 238 HG23 ILE 31 3HG2 ILE 31 7.519 3.595 -9.000 239 HD11 ILE 31 3HD1 ILE 31 9.909 -0.386 -9.323 240 HD12 ILE 31 1HD1 ILE 31 8.443 -0.156 -8.370 241 HD13 ILE 31 2HD1 ILE 31 9.532 1.202 -8.652 242 H SER 32 H SER 32 7.054 0.139 -12.820 243 HA SER 32 HA SER 32 4.145 0.295 -12.790 244 HB2 SER 32 2HB SER 32 6.170 -1.357 -14.193 245 HB3 SER 32 1HB SER 32 4.644 -2.154 -13.815 246 HG SER 32 HG SER 32 3.562 -0.644 -15.010 247 H ILE 33 H ILE 33 3.074 -0.351 -11.052 248 HA ILE 33 HA ILE 33 4.039 -2.718 -9.599 249 HB ILE 33 HB ILE 33 3.464 -1.725 -7.464 250 HG12 ILE 33 2HG1 ILE 33 2.815 0.773 -9.048 251 HG13 ILE 33 1HG1 ILE 33 1.647 -0.254 -8.223 252 HG21 ILE 33 1HG2 ILE 33 5.432 -0.650 -7.225 253 HG22 ILE 33 2HG2 ILE 33 5.120 0.447 -8.570 254 HG23 ILE 33 3HG2 ILE 33 5.684 -1.193 -8.884 255 HD11 ILE 33 3HD1 ILE 33 2.462 1.939 -7.112 256 HD12 ILE 33 1HD1 ILE 33 3.879 0.981 -6.681 257 HD13 ILE 33 2HD1 ILE 33 2.278 0.480 -6.138 258 H ASN 34 H ASN 34 2.170 -3.212 -7.840 259 HA ASN 34 HA ASN 34 -0.227 -3.629 -9.460 260 HB2 ASN 34 2HB ASN 34 0.982 -5.522 -8.232 261 HB3 ASN 34 1HB ASN 34 0.332 -4.828 -6.750 262 HD21 ASN 34 1HD2 ASN 34 -0.437 -7.239 -7.012 263 HD22 ASN 34 2HD2 ASN 34 -2.039 -7.399 -7.639 264 H THR 35 H THR 35 -1.588 -1.946 -9.317 265 HA THR 35 HA THR 35 -1.855 -0.351 -6.962 266 HB THR 35 HB THR 35 -3.677 0.765 -8.195 267 HG1 THR 35 1HG THR 35 -4.121 0.018 -10.324 268 HG21 THR 35 3HG2 THR 35 -2.050 1.927 -9.133 269 HG22 THR 35 1HG2 THR 35 -2.101 0.801 -10.489 270 HG23 THR 35 2HG2 THR 35 -0.982 0.523 -9.155 271 H ASP 36 H ASP 36 -3.522 -3.092 -8.325 272 HA ASP 36 HA ASP 36 -5.901 -2.971 -6.839 273 HB2 ASP 36 2HB ASP 36 -4.572 -4.841 -8.582 274 HB3 ASP 36 1HB ASP 36 -5.244 -5.693 -7.197 275 H ASN 37 H ASN 37 -2.777 -4.483 -6.166 276 HA ASN 37 HA ASN 37 -3.647 -5.436 -3.576 277 HB2 ASN 37 2HB ASN 37 -1.043 -5.553 -5.084 278 HB3 ASN 37 1HB ASN 37 -1.154 -6.055 -3.401 279 HD21 ASN 37 1HD2 ASN 37 -0.330 -7.947 -4.947 280 HD22 ASN 37 2HD2 ASN 37 -1.562 -9.096 -5.327 281 H ALA 38 H ALA 38 -1.743 -2.805 -4.903 282 HA ALA 38 HA ALA 38 -0.496 -1.890 -2.583 283 HB1 ALA 38 1HB ALA 38 -1.502 -0.230 -4.891 284 HB2 ALA 38 2HB ALA 38 0.040 -1.086 -4.842 285 HB3 ALA 38 3HB ALA 38 -0.267 0.240 -3.722 286 H ASP 39 H ASP 39 -3.708 -1.170 -3.883 287 HA ASP 39 HA ASP 39 -4.407 0.797 -1.988 288 HB2 ASP 39 2HB ASP 39 -5.549 0.128 -4.234 289 HB3 ASP 39 1HB ASP 39 -6.436 -1.025 -3.243 290 H LEU 40 H LEU 40 -4.067 0.264 0.116 291 HA LEU 40 HA LEU 40 -5.001 -2.277 1.157 292 HB2 LEU 40 2HB LEU 40 -3.798 0.024 2.687 293 HB3 LEU 40 1HB LEU 40 -3.946 -1.641 3.218 294 HG LEU 40 HG LEU 40 -2.203 -0.713 0.933 295 HD11 LEU 40 1HD1 LEU 40 -1.666 -1.178 3.835 296 HD12 LEU 40 2HD1 LEU 40 -1.121 0.134 2.790 297 HD13 LEU 40 3HD1 LEU 40 -0.403 -1.470 2.638 298 HD21 LEU 40 3HD2 LEU 40 -1.763 -3.311 2.240 299 HD22 LEU 40 1HD2 LEU 40 -1.665 -2.863 0.537 300 HD23 LEU 40 2HD2 LEU 40 -3.233 -3.186 1.276 301 H ASN 41 H ASN 41 -6.018 1.050 1.075 302 HA ASN 41 HA ASN 41 -8.106 0.529 3.059 303 HB2 ASN 41 2HB ASN 41 -8.496 2.932 3.045 304 HB3 ASN 41 1HB ASN 41 -6.786 2.598 3.294 305 HD21 ASN 41 1HD2 ASN 41 -7.260 5.041 2.574 306 HD22 ASN 41 2HD2 ASN 41 -6.904 5.330 0.909 307 H GLU 42 H GLU 42 -7.679 0.465 -0.286 308 HA GLU 42 HA GLU 42 -9.104 0.252 -2.044 309 HB2 GLU 42 2HB GLU 42 -10.938 -0.436 0.242 310 HB3 GLU 42 1HB GLU 42 -11.492 -0.456 -1.426 311 HG2 GLU 42 2HG GLU 42 -9.122 -2.032 -0.469 312 HG3 GLU 42 1HG GLU 42 -10.767 -2.665 -0.473 313 H ASP 43 H ASP 43 -8.628 2.861 -1.092 314 HA ASP 43 HA ASP 43 -11.103 4.310 -0.965 315 HB2 ASP 43 2HB ASP 43 -9.634 6.320 -1.093 316 HB3 ASP 43 1HB ASP 43 -9.180 5.203 0.191 317 H GLY 44 H GLY 44 -9.176 3.058 -3.489 318 HA2 GLY 44 2HA GLY 44 -10.024 3.001 -5.724 319 HA3 GLY 44 1HA GLY 44 -10.804 4.547 -5.431 320 H ARG 45 H ARG 45 -7.655 4.511 -4.208 321 HA ARG 45 HA ARG 45 -6.223 5.093 -6.597 322 HB2 ARG 45 2HB ARG 45 -5.794 7.513 -6.025 323 HB3 ARG 45 1HB ARG 45 -7.405 7.156 -6.633 324 HG2 ARG 45 2HG ARG 45 -7.673 6.897 -3.898 325 HG3 ARG 45 1HG ARG 45 -6.579 8.268 -4.086 326 HD2 ARG 45 2HD ARG 45 -8.153 9.393 -5.518 327 HD3 ARG 45 1HD ARG 45 -9.213 7.984 -5.523 328 HE ARG 45 HE ARG 45 -8.708 9.049 -2.900 329 HH11 ARG 45 1HH1 ARG 45 -10.720 9.274 -5.743 330 HH12 ARG 45 2HH1 ARG 45 -12.056 9.975 -4.895 331 HH21 ARG 45 1HH2 ARG 45 -10.465 9.972 -1.783 332 HH22 ARG 45 2HH2 ARG 45 -11.911 10.374 -2.647 333 H VAL 46 H VAL 46 -4.026 5.186 -6.255 334 HA VAL 46 HA VAL 46 -3.133 4.337 -3.639 335 HB VAL 46 HB VAL 46 -1.434 4.886 -6.074 336 HG11 VAL 46 1HG1 VAL 46 -0.792 2.844 -4.011 337 HG12 VAL 46 2HG1 VAL 46 -0.534 4.543 -3.616 338 HG13 VAL 46 3HG1 VAL 46 0.284 3.826 -5.005 339 HG21 VAL 46 3HG2 VAL 46 -3.030 3.300 -6.799 340 HG22 VAL 46 1HG2 VAL 46 -2.954 2.416 -5.275 341 HG23 VAL 46 2HG2 VAL 46 -1.585 2.378 -6.385 342 H ASN 47 H ASN 47 -3.207 6.029 -2.230 343 HA ASN 47 HA ASN 47 -1.693 8.450 -2.949 344 HB2 ASN 47 2HB ASN 47 -2.964 9.390 -0.888 345 HB3 ASN 47 1HB ASN 47 -3.836 9.191 -2.405 346 HD21 ASN 47 1HD2 ASN 47 -5.848 8.806 -1.733 347 HD22 ASN 47 2HD2 ASN 47 -6.315 7.512 -0.687 348 H SER 48 H SER 48 -0.923 9.566 -0.756 349 HA SER 48 HA SER 48 1.217 8.043 0.196 350 HB2 SER 48 2HB SER 48 -0.032 10.638 0.944 351 HB3 SER 48 1HB SER 48 1.046 9.894 2.125 352 HG SER 48 HG SER 48 2.512 10.859 0.947 353 H THR 49 H THR 49 -2.059 8.366 1.337 354 HA THR 49 HA THR 49 -1.755 7.423 3.955 355 HB THR 49 HB THR 49 -4.099 7.063 2.078 356 HG1 THR 49 1HG THR 49 -3.341 9.260 2.569 357 HG21 THR 49 3HG2 THR 49 -3.870 6.749 5.047 358 HG22 THR 49 1HG2 THR 49 -4.559 5.635 3.866 359 HG23 THR 49 2HG2 THR 49 -5.399 7.135 4.258 360 H ASP 50 H ASP 50 -2.473 5.653 0.954 361 HA ASP 50 HA ASP 50 -2.635 3.094 2.070 362 HB2 ASP 50 2HB ASP 50 -1.611 3.778 -0.693 363 HB3 ASP 50 1HB ASP 50 -2.324 2.253 -0.176 364 H LEU 51 H LEU 51 0.138 4.913 0.843 365 HA LEU 51 HA LEU 51 2.052 2.870 1.031 366 HB2 LEU 51 2HB LEU 51 2.491 4.925 -0.180 367 HB3 LEU 51 1HB LEU 51 2.360 5.861 1.298 368 HG LEU 51 HG LEU 51 4.357 4.471 2.134 369 HD11 LEU 51 1HD1 LEU 51 5.006 4.132 -0.756 370 HD12 LEU 51 2HD1 LEU 51 4.029 2.913 0.063 371 HD13 LEU 51 3HD1 LEU 51 5.649 3.286 0.651 372 HD21 LEU 51 3HD2 LEU 51 5.158 6.187 -0.160 373 HD22 LEU 51 1HD2 LEU 51 5.769 6.153 1.494 374 HD23 LEU 51 2HD2 LEU 51 4.215 6.910 1.143 375 H GLY 52 H GLY 52 0.695 5.035 3.421 376 HA2 GLY 52 2HA GLY 52 2.642 4.416 5.447 377 HA3 GLY 52 1HA GLY 52 1.142 5.301 5.677 378 H ILE 53 H ILE 53 -0.538 3.223 4.553 379 HA ILE 53 HA ILE 53 -0.995 1.714 6.913 380 HB ILE 53 HB ILE 53 -2.132 1.232 4.154 381 HG12 ILE 53 2HG1 ILE 53 -3.624 2.676 6.298 382 HG13 ILE 53 1HG1 ILE 53 -2.385 3.560 5.413 383 HG21 ILE 53 1HG2 ILE 53 -3.236 0.475 6.856 384 HG22 ILE 53 2HG2 ILE 53 -2.392 -0.629 5.770 385 HG23 ILE 53 3HG2 ILE 53 -3.927 0.088 5.280 386 HD11 ILE 53 3HD1 ILE 53 -4.156 2.076 3.660 387 HD12 ILE 53 1HD1 ILE 53 -3.686 3.775 3.627 388 HD13 ILE 53 2HD1 ILE 53 -5.008 3.246 4.667 389 H LEU 54 H LEU 54 0.728 1.098 3.941 390 HA LEU 54 HA LEU 54 0.916 -1.731 4.262 391 HB2 LEU 54 2HB LEU 54 1.369 -0.043 2.200 392 HB3 LEU 54 1HB LEU 54 3.016 -0.326 2.731 393 HG LEU 54 HG LEU 54 1.291 -2.713 2.341 394 HD11 LEU 54 1HD1 LEU 54 2.025 -0.804 0.203 395 HD12 LEU 54 2HD1 LEU 54 0.666 -1.924 0.312 396 HD13 LEU 54 3HD1 LEU 54 2.265 -2.519 -0.133 397 HD21 LEU 54 3HD2 LEU 54 4.179 -2.040 1.802 398 HD22 LEU 54 1HD2 LEU 54 3.434 -3.601 1.457 399 HD23 LEU 54 2HD2 LEU 54 3.541 -3.021 3.120 400 H LYS 55 H LYS 55 3.188 0.950 4.824 401 HA LYS 55 HA LYS 55 5.303 -0.602 5.810 402 HB2 LYS 55 2HB LYS 55 4.546 2.259 5.876 403 HB3 LYS 55 1HB LYS 55 5.680 1.735 7.113 404 HG2 LYS 55 2HG LYS 55 7.275 1.071 5.517 405 HG3 LYS 55 1HG LYS 55 6.106 1.154 4.198 406 HD2 LYS 55 2HD LYS 55 6.452 3.344 3.895 407 HD3 LYS 55 1HD LYS 55 6.379 3.679 5.626 408 HE2 LYS 55 2HE LYS 55 8.555 4.256 5.127 409 HE3 LYS 55 1HE LYS 55 8.741 2.587 5.660 410 HZ1 LYS 55 3HZ LYS 55 9.874 2.420 3.741 411 HZ2 LYS 55 1HZ LYS 55 9.098 3.740 3.020 412 HZ3 LYS 55 2HZ LYS 55 8.338 2.229 3.058 413 H ARG 56 H ARG 56 2.622 0.998 7.485 414 HA ARG 56 HA ARG 56 3.435 0.359 10.105 415 HB2 ARG 56 2HB ARG 56 0.804 1.099 8.862 416 HB3 ARG 56 1HB ARG 56 0.888 0.631 10.555 417 HG2 ARG 56 2HG ARG 56 2.556 2.428 10.918 418 HG3 ARG 56 1HG ARG 56 2.312 2.936 9.245 419 HD2 ARG 56 2HD ARG 56 -0.123 2.632 10.885 420 HD3 ARG 56 1HD ARG 56 0.951 3.957 11.330 421 HE ARG 56 HE ARG 56 0.365 3.835 8.517 422 HH11 ARG 56 1HH1 ARG 56 -0.708 5.033 11.615 423 HH12 ARG 56 2HH1 ARG 56 -1.634 6.327 10.934 424 HH21 ARG 56 1HH2 ARG 56 -0.852 5.538 7.620 425 HH22 ARG 56 2HH2 ARG 56 -1.716 6.615 8.665 426 H TYR 57 H TYR 57 1.678 -1.434 7.675 427 HA TYR 57 HA TYR 57 0.666 -3.453 9.398 428 HB2 TYR 57 2HB TYR 57 -0.230 -2.963 7.123 429 HB3 TYR 57 1HB TYR 57 1.241 -3.645 6.435 430 HD1 TYR 57 1HD TYR 57 -1.609 -4.517 8.674 431 HD2 TYR 57 2HD TYR 57 1.334 -5.917 5.939 432 HE1 TYR 57 1HE TYR 57 -2.632 -6.753 8.727 433 HE2 TYR 57 2HE TYR 57 0.320 -8.156 5.983 434 HH TYR 57 HH TYR 57 -1.890 -9.167 6.488 435 H ILE 58 H ILE 58 3.679 -2.996 7.684 436 HA ILE 58 HA ILE 58 4.598 -5.689 8.207 437 HB ILE 58 HB ILE 58 6.214 -3.356 7.183 438 HG12 ILE 58 2HG1 ILE 58 4.930 -5.479 5.475 439 HG13 ILE 58 1HG1 ILE 58 4.093 -3.978 5.860 440 HG21 ILE 58 1HG2 ILE 58 6.631 -6.332 6.927 441 HG22 ILE 58 2HG2 ILE 58 7.511 -5.261 8.018 442 HG23 ILE 58 3HG2 ILE 58 7.678 -5.071 6.273 443 HD11 ILE 58 3HD1 ILE 58 5.890 -4.451 3.777 444 HD12 ILE 58 1HD1 ILE 58 6.738 -3.410 4.920 445 HD13 ILE 58 2HD1 ILE 58 5.180 -2.910 4.261 446 H LEU 59 H LEU 59 4.709 -2.617 9.771 447 HA LEU 59 HA LEU 59 6.940 -3.413 11.480 448 HB2 LEU 59 2HB LEU 59 5.552 -0.869 10.857 449 HB3 LEU 59 1HB LEU 59 6.215 -1.028 12.472 450 HG LEU 59 HG LEU 59 8.046 -1.745 10.267 451 HD11 LEU 59 1HD1 LEU 59 6.828 0.953 10.553 452 HD12 LEU 59 2HD1 LEU 59 7.361 0.098 9.105 453 HD13 LEU 59 3HD1 LEU 59 8.549 0.835 10.180 454 HD21 LEU 59 3HD2 LEU 59 9.672 -0.763 11.686 455 HD22 LEU 59 1HD2 LEU 59 8.591 -1.693 12.726 456 HD23 LEU 59 2HD2 LEU 59 8.440 0.062 12.640 457 H LYS 60 H LYS 60 4.165 -4.623 11.539 458 HA LYS 60 HA LYS 60 2.637 -5.347 13.062 459 HB2 LYS 60 2HB LYS 60 5.075 -5.789 14.111 460 HB3 LYS 60 1HB LYS 60 4.414 -4.736 15.354 461 HG2 LYS 60 2HG LYS 60 2.793 -6.247 15.967 462 HG3 LYS 60 1HG LYS 60 2.807 -7.058 14.398 463 HD2 LYS 60 2HD LYS 60 5.212 -7.747 15.031 464 HD3 LYS 60 1HD LYS 60 4.742 -7.313 16.676 465 HE2 LYS 60 2HE LYS 60 3.232 -9.261 14.940 466 HE3 LYS 60 1HE LYS 60 4.456 -9.732 16.119 467 HZ1 LYS 60 3HZ LYS 60 1.733 -8.813 16.539 468 HZ2 LYS 60 1HZ LYS 60 2.882 -8.216 17.629 469 HZ3 LYS 60 2HZ LYS 60 2.668 -9.885 17.454 470 H GLU 61 H GLU 61 2.657 -2.491 12.410 471 HA GLU 61 HA GLU 61 1.881 -1.181 14.888 472 HB2 GLU 61 2HB GLU 61 1.950 -0.146 12.048 473 HB3 GLU 61 1HB GLU 61 1.602 0.823 13.473 474 HG2 GLU 61 2HG GLU 61 3.868 0.207 14.335 475 HG3 GLU 61 1HG GLU 61 4.191 -0.531 12.766 476 H ILE 62 H ILE 62 0.425 -2.556 12.028 477 HA ILE 62 HA ILE 62 -2.213 -2.186 13.253 478 HB ILE 62 HB ILE 62 -3.150 -1.766 10.937 479 HG12 ILE 62 2HG1 ILE 62 -0.300 -0.965 10.323 480 HG13 ILE 62 1HG1 ILE 62 -1.037 -2.462 9.759 481 HG21 ILE 62 1HG2 ILE 62 -1.575 0.150 12.566 482 HG22 ILE 62 2HG2 ILE 62 -3.305 0.103 12.230 483 HG23 ILE 62 3HG2 ILE 62 -2.185 0.698 11.005 484 HD11 ILE 62 3HD1 ILE 62 -2.032 -1.428 8.071 485 HD12 ILE 62 1HD1 ILE 62 -1.037 -0.026 8.462 486 HD13 ILE 62 2HD1 ILE 62 -2.667 -0.162 9.124 487 H ASP 63 H ASP 63 -3.338 -4.019 13.300 488 HA ASP 63 HA ASP 63 -2.483 -6.219 11.541 489 HB2 ASP 63 2HB ASP 63 -2.267 -6.428 14.100 490 HB3 ASP 63 1HB ASP 63 -4.022 -6.577 14.104 491 H THR 64 H THR 64 -4.661 -3.975 11.354 492 HA THR 64 HA THR 64 -6.926 -5.760 10.766 493 HB THR 64 HB THR 64 -6.924 -2.769 11.220 494 HG1 THR 64 1HG THR 64 -7.945 -3.333 13.176 495 HG21 THR 64 3HG2 THR 64 -8.935 -4.525 10.142 496 HG22 THR 64 1HG2 THR 64 -8.934 -2.768 10.299 497 HG23 THR 64 2HG2 THR 64 -9.473 -3.772 11.645 498 H LEU 65 H LEU 65 -6.929 -6.332 8.691 499 HA LEU 65 HA LEU 65 -6.601 -4.220 6.676 500 HB2 LEU 65 2HB LEU 65 -4.685 -6.091 7.108 501 HB3 LEU 65 1HB LEU 65 -5.664 -6.910 5.909 502 HG LEU 65 HG LEU 65 -5.316 -5.134 4.318 503 HD11 LEU 65 1HD1 LEU 65 -3.468 -3.399 5.223 504 HD12 LEU 65 2HD1 LEU 65 -4.379 -3.683 6.706 505 HD13 LEU 65 3HD1 LEU 65 -5.204 -3.090 5.265 506 HD21 LEU 65 3HD2 LEU 65 -3.510 -6.923 4.860 507 HD22 LEU 65 1HD2 LEU 65 -2.595 -5.548 5.481 508 HD23 LEU 65 2HD2 LEU 65 -3.112 -5.576 3.794 509 HA PRO 66 HA PRO 66 -6.825 -3.976 4.565 510 HB2 PRO 66 2HB PRO 66 -8.692 -2.752 3.071 511 HB3 PRO 66 1HB PRO 66 -7.940 -4.269 2.564 512 HG2 PRO 66 2HG PRO 66 -10.609 -3.808 3.830 513 HG3 PRO 66 1HG PRO 66 -10.169 -4.901 2.508 514 HD2 PRO 66 2HD PRO 66 -10.490 -5.697 5.114 515 HD3 PRO 66 1HD PRO 66 -9.467 -6.543 3.937 516 H TYR 67 H TYR 67 -7.027 -1.554 4.518 517 HA TYR 67 HA TYR 67 -7.837 -0.614 7.081 518 HB2 TYR 67 2HB TYR 67 -5.886 0.294 5.858 519 HB3 TYR 67 1HB TYR 67 -6.975 0.971 4.651 520 HD1 TYR 67 2HD TYR 67 -6.059 1.135 8.245 521 HD2 TYR 67 1HD TYR 67 -7.973 3.074 4.979 522 HE1 TYR 67 2HE TYR 67 -6.262 3.184 9.588 523 HE2 TYR 67 1HE TYR 67 -8.180 5.130 6.311 524 HH TYR 67 HH TYR 67 -6.995 6.173 8.284 525 H LYS 68 H LYS 68 -9.685 0.307 7.712 526 HA LYS 68 HA LYS 68 -11.561 1.254 5.656 527 HB2 LYS 68 2HB LYS 68 -12.435 -0.264 8.111 528 HB3 LYS 68 1HB LYS 68 -13.415 0.200 6.727 529 HG2 LYS 68 2HG LYS 68 -13.010 -1.773 5.815 530 HG3 LYS 68 1HG LYS 68 -11.298 -1.356 5.720 531 HD2 LYS 68 2HD LYS 68 -11.298 -3.345 6.929 532 HD3 LYS 68 1HD LYS 68 -11.205 -2.110 8.186 533 HE2 LYS 68 2HE LYS 68 -13.909 -2.985 7.348 534 HE3 LYS 68 1HE LYS 68 -12.943 -4.139 8.268 535 HZ1 LYS 68 3HZ LYS 68 -13.748 -1.406 9.095 536 HZ2 LYS 68 1HZ LYS 68 -12.615 -2.339 9.937 537 HZ3 LYS 68 2HZ LYS 68 -14.214 -2.872 9.797 538 H ASN 69 H ASN 69 -10.397 3.265 6.427 539 HA ASN 69 HA ASN 69 -10.427 5.251 7.535 540 HB2 ASN 69 2HB ASN 69 -13.194 4.215 7.806 541 HB3 ASN 69 1HB ASN 69 -12.744 5.541 8.875 542 HD21 ASN 69 1HD2 ASN 69 -11.830 4.805 5.534 543 HD22 ASN 69 2HD2 ASN 69 -12.406 6.290 4.867 Start of MODEL 6 1 H1 SER 1 1HT SER 1 0.787 -13.840 -9.977 2 H2 SER 1 2HT SER 1 -0.796 -13.237 -10.258 3 H3 SER 1 3HT SER 1 -0.541 -14.922 -10.054 4 HA SER 1 HA SER 1 -0.077 -14.714 -7.830 5 HB2 SER 1 2HB SER 1 0.529 -11.931 -8.649 6 HB3 SER 1 1HB SER 1 -0.150 -12.126 -7.034 7 HG SER 1 HG SER 1 2.129 -13.485 -8.047 8 H THR 2 H THR 2 -1.561 -14.039 -6.061 9 HA THR 2 HA THR 2 -4.274 -13.764 -7.125 10 HB THR 2 HB THR 2 -3.952 -15.677 -5.701 11 HG1 THR 2 1HG THR 2 -5.294 -13.679 -4.206 12 HG21 THR 2 3HG2 THR 2 -2.266 -13.972 -4.188 13 HG22 THR 2 1HG2 THR 2 -2.536 -15.706 -4.012 14 HG23 THR 2 2HG2 THR 2 -3.557 -14.562 -3.141 15 H LYS 3 H LYS 3 -5.826 -12.409 -5.979 16 HA LYS 3 HA LYS 3 -4.894 -9.775 -5.641 17 HB2 LYS 3 2HB LYS 3 -7.320 -10.864 -6.106 18 HB3 LYS 3 1HB LYS 3 -7.483 -10.496 -4.395 19 HG2 LYS 3 2HG LYS 3 -6.769 -8.151 -4.933 20 HG3 LYS 3 1HG LYS 3 -6.902 -8.582 -6.639 21 HD2 LYS 3 2HD LYS 3 -9.256 -9.149 -6.317 22 HD3 LYS 3 1HD LYS 3 -9.126 -8.745 -4.603 23 HE2 LYS 3 2HE LYS 3 -8.185 -6.473 -5.735 24 HE3 LYS 3 1HE LYS 3 -9.346 -6.991 -6.957 25 HZ1 LYS 3 3HZ LYS 3 -11.099 -6.831 -5.477 26 HZ2 LYS 3 1HZ LYS 3 -10.148 -5.498 -5.051 27 HZ3 LYS 3 2HZ LYS 3 -10.107 -6.901 -4.110 28 H LEU 4 H LEU 4 -3.347 -9.597 -4.059 29 HA LEU 4 HA LEU 4 -4.218 -10.195 -1.307 30 HB2 LEU 4 2HB LEU 4 -1.652 -10.559 -2.711 31 HB3 LEU 4 1HB LEU 4 -1.524 -9.889 -1.095 32 HG LEU 4 HG LEU 4 -3.162 -12.353 -1.526 33 HD11 LEU 4 1HD1 LEU 4 -1.330 -13.789 -1.456 34 HD12 LEU 4 2HD1 LEU 4 -0.221 -12.504 -0.977 35 HD13 LEU 4 3HD1 LEU 4 -0.853 -12.556 -2.622 36 HD21 LEU 4 3HD2 LEU 4 -1.862 -12.679 0.790 37 HD22 LEU 4 1HD2 LEU 4 -3.388 -11.804 0.659 38 HD23 LEU 4 2HD2 LEU 4 -1.863 -10.917 0.708 39 H TYR 5 H TYR 5 -3.609 -8.701 0.350 40 HA TYR 5 HA TYR 5 -3.585 -5.949 -0.616 41 HB2 TYR 5 2HB TYR 5 -4.080 -7.134 2.120 42 HB3 TYR 5 1HB TYR 5 -4.051 -5.404 1.797 43 HD1 TYR 5 1HD TYR 5 -5.784 -4.407 0.300 44 HD2 TYR 5 2HD TYR 5 -5.988 -8.451 1.603 45 HE1 TYR 5 1HE TYR 5 -8.165 -4.479 -0.314 46 HE2 TYR 5 2HE TYR 5 -8.368 -8.535 0.991 47 HH TYR 5 HH TYR 5 -9.838 -6.376 -0.980 48 H GLY 6 H GLY 6 -1.627 -5.125 -0.988 49 HA2 GLY 6 2HA GLY 6 0.263 -4.063 0.165 50 HA3 GLY 6 1HA GLY 6 0.450 -5.558 1.069 51 H ASP 7 H ASP 7 -0.073 -7.157 -1.398 52 HA ASP 7 HA ASP 7 2.629 -7.439 -2.219 53 HB2 ASP 7 2HB ASP 7 1.035 -9.325 -2.156 54 HB3 ASP 7 1HB ASP 7 0.125 -8.589 -3.472 55 H VAL 8 H VAL 8 3.158 -5.332 -2.997 56 HA VAL 8 HA VAL 8 1.805 -4.293 -5.325 57 HB VAL 8 HB VAL 8 3.566 -2.542 -5.286 58 HG11 VAL 8 1HG1 VAL 8 2.926 -1.613 -3.025 59 HG12 VAL 8 2HG1 VAL 8 2.053 -3.121 -2.751 60 HG13 VAL 8 3HG1 VAL 8 1.587 -2.062 -4.081 61 HG21 VAL 8 3HG2 VAL 8 5.343 -4.026 -4.349 62 HG22 VAL 8 1HG2 VAL 8 4.542 -3.908 -2.783 63 HG23 VAL 8 2HG2 VAL 8 5.206 -2.463 -3.545 64 H ASN 9 H ASN 9 4.734 -6.082 -4.618 65 HA ASN 9 HA ASN 9 5.793 -5.810 -7.284 66 HB2 ASN 9 2HB ASN 9 7.462 -7.518 -6.468 67 HB3 ASN 9 1HB ASN 9 7.396 -6.030 -5.529 68 HD21 ASN 9 1HD2 ASN 9 8.306 -7.088 -3.751 69 HD22 ASN 9 2HD2 ASN 9 7.381 -8.166 -2.767 70 H ASP 10 H ASP 10 3.367 -7.687 -5.926 71 HA ASP 10 HA ASP 10 2.161 -9.466 -6.660 72 HB2 ASP 10 2HB ASP 10 2.775 -8.046 -8.903 73 HB3 ASP 10 1HB ASP 10 3.448 -9.621 -9.310 74 H ASP 11 H ASP 11 4.203 -10.220 -5.128 75 HA ASP 11 HA ASP 11 5.431 -12.503 -6.526 76 HB2 ASP 11 2HB ASP 11 7.175 -12.467 -4.810 77 HB3 ASP 11 1HB ASP 11 7.064 -10.907 -5.617 78 H GLY 12 H GLY 12 3.195 -11.591 -4.110 79 HA2 GLY 12 2HA GLY 12 1.667 -13.099 -3.134 80 HA3 GLY 12 1HA GLY 12 2.804 -14.406 -3.428 81 H LYS 13 H LYS 13 3.901 -11.444 -1.988 82 HA LYS 13 HA LYS 13 3.528 -12.212 0.728 83 HB2 LYS 13 2HB LYS 13 5.258 -13.847 0.141 84 HB3 LYS 13 1HB LYS 13 6.298 -12.553 -0.436 85 HG2 LYS 13 2HG LYS 13 7.195 -12.709 1.611 86 HG3 LYS 13 1HG LYS 13 5.824 -11.701 2.076 87 HD2 LYS 13 2HD LYS 13 5.064 -14.479 2.040 88 HD3 LYS 13 1HD LYS 13 6.488 -14.244 3.055 89 HE2 LYS 13 2HE LYS 13 5.191 -13.454 4.672 90 HE3 LYS 13 1HE LYS 13 4.694 -12.130 3.620 91 HZ1 LYS 13 3HZ LYS 13 3.384 -14.701 3.208 92 HZ2 LYS 13 1HZ LYS 13 2.748 -13.136 3.120 93 HZ3 LYS 13 2HZ LYS 13 2.987 -13.868 4.626 94 H VAL 14 H VAL 14 3.616 -10.431 1.952 95 HA VAL 14 HA VAL 14 4.525 -7.958 0.732 96 HB VAL 14 HB VAL 14 3.294 -8.322 3.464 97 HG11 VAL 14 1HG1 VAL 14 4.527 -6.138 2.470 98 HG12 VAL 14 2HG1 VAL 14 3.191 -6.075 3.620 99 HG13 VAL 14 3HG1 VAL 14 2.883 -5.863 1.896 100 HG21 VAL 14 3HG2 VAL 14 1.278 -7.349 1.970 101 HG22 VAL 14 1HG2 VAL 14 1.519 -9.069 2.281 102 HG23 VAL 14 2HG2 VAL 14 2.088 -8.357 0.772 103 H ASN 15 H ASN 15 6.714 -7.835 0.781 104 HA ASN 15 HA ASN 15 8.027 -8.131 3.401 105 HB2 ASN 15 2HB ASN 15 10.141 -8.400 2.029 106 HB3 ASN 15 1HB ASN 15 8.974 -9.712 1.892 107 HD21 ASN 15 1HD2 ASN 15 11.122 -8.366 0.125 108 HD22 ASN 15 2HD2 ASN 15 10.334 -8.234 -1.406 109 H SER 16 H SER 16 10.284 -6.799 3.188 110 HA SER 16 HA SER 16 9.590 -4.113 3.481 111 HB2 SER 16 2HB SER 16 12.123 -5.647 3.337 112 HB3 SER 16 1HB SER 16 12.243 -3.919 3.007 113 HG SER 16 HG SER 16 11.206 -3.553 5.018 114 H THR 17 H THR 17 10.588 -5.917 0.667 115 HA THR 17 HA THR 17 11.304 -3.756 -0.992 116 HB THR 17 HB THR 17 10.065 -6.334 -1.948 117 HG1 THR 17 1HG THR 17 12.721 -5.860 -1.080 118 HG21 THR 17 3HG2 THR 17 11.134 -4.196 -3.348 119 HG22 THR 17 1HG2 THR 17 10.824 -5.821 -3.961 120 HG23 THR 17 2HG2 THR 17 12.418 -5.406 -3.330 121 H ASP 18 H ASP 18 8.222 -5.163 -0.139 122 HA ASP 18 HA ASP 18 6.682 -4.000 -2.205 123 HB2 ASP 18 2HB ASP 18 6.035 -5.130 0.502 124 HB3 ASP 18 1HB ASP 18 4.787 -4.336 -0.455 125 H ALA 19 H ALA 19 7.841 -2.816 0.867 126 HA ALA 19 HA ALA 19 6.110 -0.552 1.009 127 HB1 ALA 19 1HB ALA 19 7.096 -0.129 2.995 128 HB2 ALA 19 2HB ALA 19 8.722 -0.406 2.370 129 HB3 ALA 19 3HB ALA 19 7.697 -1.775 2.804 130 H VAL 20 H VAL 20 9.549 -0.919 0.141 131 HA VAL 20 HA VAL 20 9.999 1.754 -0.559 132 HB VAL 20 HB VAL 20 11.822 0.154 -0.197 133 HG11 VAL 20 1HG1 VAL 20 12.420 -1.480 -1.901 134 HG12 VAL 20 2HG1 VAL 20 11.001 -1.027 -2.847 135 HG13 VAL 20 3HG1 VAL 20 10.803 -1.793 -1.271 136 HG21 VAL 20 3HG2 VAL 20 13.259 1.247 -1.564 137 HG22 VAL 20 1HG2 VAL 20 11.834 2.234 -1.883 138 HG23 VAL 20 2HG2 VAL 20 12.286 0.950 -3.005 139 H ALA 21 H ALA 21 8.871 -0.991 -2.480 140 HA ALA 21 HA ALA 21 8.945 0.241 -5.000 141 HB1 ALA 21 1HB ALA 21 6.754 -1.670 -4.529 142 HB2 ALA 21 2HB ALA 21 8.373 -2.250 -4.141 143 HB3 ALA 21 3HB ALA 21 8.011 -1.664 -5.765 144 H LEU 22 H LEU 22 6.450 0.180 -2.500 145 HA LEU 22 HA LEU 22 4.471 1.511 -4.051 146 HB2 LEU 22 2HB LEU 22 4.060 0.095 -2.010 147 HB3 LEU 22 1HB LEU 22 4.681 1.421 -1.045 148 HG LEU 22 HG LEU 22 2.863 2.865 -1.854 149 HD11 LEU 22 1HD1 LEU 22 2.333 0.506 -3.565 150 HD12 LEU 22 2HD1 LEU 22 2.151 2.225 -3.911 151 HD13 LEU 22 3HD1 LEU 22 0.940 1.389 -2.942 152 HD21 LEU 22 3HD2 LEU 22 2.649 1.427 0.194 153 HD22 LEU 22 1HD2 LEU 22 1.753 0.275 -0.796 154 HD23 LEU 22 2HD2 LEU 22 1.124 1.903 -0.551 155 H LYS 23 H LYS 23 7.089 2.567 -1.999 156 HA LYS 23 HA LYS 23 6.235 5.250 -1.664 157 HB2 LYS 23 2HB LYS 23 7.942 4.114 -0.245 158 HB3 LYS 23 1HB LYS 23 9.059 4.173 -1.602 159 HG2 LYS 23 2HG LYS 23 7.847 6.742 -0.814 160 HG3 LYS 23 1HG LYS 23 8.971 6.021 0.338 161 HD2 LYS 23 2HD LYS 23 9.552 6.551 -2.575 162 HD3 LYS 23 1HD LYS 23 10.097 7.549 -1.226 163 HE2 LYS 23 2HE LYS 23 10.945 5.070 -0.467 164 HE3 LYS 23 1HE LYS 23 11.122 4.987 -2.219 165 HZ1 LYS 23 3HZ LYS 23 13.012 5.940 -0.685 166 HZ2 LYS 23 1HZ LYS 23 12.128 7.372 -0.857 167 HZ3 LYS 23 2HZ LYS 23 12.727 6.576 -2.225 168 H ARG 24 H ARG 24 8.405 3.674 -3.983 169 HA ARG 24 HA ARG 24 9.243 5.973 -5.342 170 HB2 ARG 24 2HB ARG 24 8.831 3.266 -6.609 171 HB3 ARG 24 1HB ARG 24 9.975 4.513 -7.088 172 HG2 ARG 24 2HG ARG 24 10.726 4.061 -4.516 173 HG3 ARG 24 1HG ARG 24 10.183 2.458 -5.015 174 HD2 ARG 24 2HD ARG 24 11.730 2.377 -6.791 175 HD3 ARG 24 1HD ARG 24 12.067 4.104 -6.678 176 HE ARG 24 HE ARG 24 12.777 2.933 -4.249 177 HH11 ARG 24 1HH1 ARG 24 13.777 2.851 -7.591 178 HH12 ARG 24 2HH1 ARG 24 15.426 2.479 -7.219 179 HH21 ARG 24 1HH2 ARG 24 14.947 2.444 -3.758 180 HH22 ARG 24 2HH2 ARG 24 16.091 2.247 -5.043 181 H TYR 25 H TYR 25 6.516 3.790 -5.988 182 HA TYR 25 HA TYR 25 5.586 5.034 -8.312 183 HB2 TYR 25 2HB TYR 25 4.832 2.812 -7.494 184 HB3 TYR 25 1HB TYR 25 3.934 3.616 -6.212 185 HD1 TYR 25 1HD TYR 25 4.196 3.332 -9.907 186 HD2 TYR 25 2HD TYR 25 1.753 4.395 -6.591 187 HE1 TYR 25 1HE TYR 25 2.262 3.550 -11.409 188 HE2 TYR 25 2HE TYR 25 -0.188 4.615 -8.083 189 HH TYR 25 HH TYR 25 0.099 4.683 -11.474 190 H VAL 26 H VAL 26 4.582 5.515 -4.931 191 HA VAL 26 HA VAL 26 2.722 7.567 -5.478 192 HB VAL 26 HB VAL 26 4.239 7.151 -2.900 193 HG11 VAL 26 1HG1 VAL 26 2.978 9.278 -3.133 194 HG12 VAL 26 2HG1 VAL 26 2.373 8.237 -1.844 195 HG13 VAL 26 3HG1 VAL 26 1.507 8.336 -3.377 196 HG21 VAL 26 3HG2 VAL 26 1.528 6.050 -3.146 197 HG22 VAL 26 1HG2 VAL 26 2.964 5.373 -2.379 198 HG23 VAL 26 2HG2 VAL 26 2.749 5.236 -4.123 199 H LEU 27 H LEU 27 6.173 7.557 -5.144 200 HA LEU 27 HA LEU 27 6.325 10.434 -4.779 201 HB2 LEU 27 2HB LEU 27 7.894 8.876 -3.641 202 HB3 LEU 27 1HB LEU 27 8.544 8.436 -5.209 203 HG LEU 27 HG LEU 27 8.583 11.317 -4.774 204 HD11 LEU 27 1HD1 LEU 27 9.643 9.524 -2.677 205 HD12 LEU 27 2HD1 LEU 27 9.079 11.192 -2.570 206 HD13 LEU 27 3HD1 LEU 27 10.688 10.844 -3.203 207 HD21 LEU 27 3HD2 LEU 27 10.938 9.515 -5.191 208 HD22 LEU 27 1HD2 LEU 27 10.681 11.165 -5.761 209 HD23 LEU 27 2HD2 LEU 27 9.794 9.829 -6.496 210 H ARG 28 H ARG 28 5.495 8.744 -7.349 211 HA ARG 28 HA ARG 28 5.569 9.051 -9.598 212 HB2 ARG 28 2HB ARG 28 6.541 11.743 -8.653 213 HB3 ARG 28 1HB ARG 28 6.305 11.378 -10.357 214 HG2 ARG 28 2HG ARG 28 4.063 10.838 -8.487 215 HG3 ARG 28 1HG ARG 28 4.424 12.513 -8.906 216 HD2 ARG 28 2HD ARG 28 4.408 11.687 -11.341 217 HD3 ARG 28 1HD ARG 28 3.593 10.259 -10.703 218 HE ARG 28 HE ARG 28 1.691 11.505 -10.440 219 HH11 ARG 28 1HH1 ARG 28 4.393 13.662 -10.914 220 HH12 ARG 28 2HH1 ARG 28 3.403 15.076 -11.050 221 HH21 ARG 28 1HH2 ARG 28 0.386 13.363 -10.619 222 HH22 ARG 28 2HH2 ARG 28 1.127 14.906 -10.882 223 H SER 29 H SER 29 7.605 7.529 -8.694 224 HA SER 29 HA SER 29 10.145 8.514 -9.642 225 HB2 SER 29 2HB SER 29 9.167 6.022 -8.331 226 HB3 SER 29 1HB SER 29 10.662 5.926 -9.263 227 HG SER 29 HG SER 29 11.524 6.672 -7.495 228 H GLY 30 H GLY 30 7.598 6.387 -10.796 229 HA2 GLY 30 2HA GLY 30 7.193 6.179 -13.156 230 HA3 GLY 30 1HA GLY 30 8.917 6.375 -13.428 231 H ILE 31 H ILE 31 7.539 4.271 -10.982 232 HA ILE 31 HA ILE 31 8.597 1.965 -12.479 233 HB ILE 31 HB ILE 31 9.748 2.373 -10.348 234 HG12 ILE 31 2HG1 ILE 31 8.004 -0.101 -10.324 235 HG13 ILE 31 1HG1 ILE 31 9.532 0.074 -11.184 236 HG21 ILE 31 1HG2 ILE 31 7.058 1.892 -9.074 237 HG22 ILE 31 2HG2 ILE 31 7.898 3.441 -9.154 238 HG23 ILE 31 3HG2 ILE 31 8.588 2.109 -8.224 239 HD11 ILE 31 3HD1 ILE 31 9.309 0.366 -8.207 240 HD12 ILE 31 1HD1 ILE 31 10.761 0.136 -9.179 241 HD13 ILE 31 2HD1 ILE 31 9.603 -1.180 -9.002 242 H SER 32 H SER 32 7.245 0.385 -13.063 243 HA SER 32 HA SER 32 4.431 0.678 -12.574 244 HB2 SER 32 2HB SER 32 5.440 -0.132 -14.743 245 HB3 SER 32 1HB SER 32 5.825 -1.643 -13.920 246 HG SER 32 HG SER 32 3.598 -1.917 -13.529 247 H ILE 33 H ILE 33 3.176 -0.384 -11.157 248 HA ILE 33 HA ILE 33 4.148 -2.799 -9.853 249 HB ILE 33 HB ILE 33 3.741 -1.966 -7.597 250 HG12 ILE 33 2HG1 ILE 33 3.291 0.710 -8.941 251 HG13 ILE 33 1HG1 ILE 33 2.067 -0.255 -8.124 252 HG21 ILE 33 1HG2 ILE 33 5.635 -0.109 -9.022 253 HG22 ILE 33 2HG2 ILE 33 5.994 -1.798 -8.664 254 HG23 ILE 33 3HG2 ILE 33 5.720 -0.656 -7.348 255 HD11 ILE 33 3HD1 ILE 33 4.486 0.963 -6.815 256 HD12 ILE 33 1HD1 ILE 33 3.213 0.046 -6.010 257 HD13 ILE 33 2HD1 ILE 33 2.845 1.604 -6.749 258 H ASN 34 H ASN 34 2.385 -3.482 -8.143 259 HA ASN 34 HA ASN 34 -0.117 -3.568 -9.612 260 HB2 ASN 34 2HB ASN 34 1.192 -5.190 -7.538 261 HB3 ASN 34 1HB ASN 34 -0.549 -5.024 -7.329 262 HD21 ASN 34 1HD2 ASN 34 -1.933 -5.888 -8.861 263 HD22 ASN 34 2HD2 ASN 34 -1.405 -7.028 -10.046 264 H THR 35 H THR 35 -1.340 -1.792 -9.348 265 HA THR 35 HA THR 35 -1.440 -0.326 -6.890 266 HB THR 35 HB THR 35 -3.079 1.073 -8.010 267 HG1 THR 35 1HG THR 35 -3.050 -0.835 -10.106 268 HG21 THR 35 3HG2 THR 35 -1.538 2.050 -9.250 269 HG22 THR 35 1HG2 THR 35 -1.572 0.732 -10.421 270 HG23 THR 35 2HG2 THR 35 -0.513 0.634 -9.014 271 H ASP 36 H ASP 36 -3.332 -2.833 -8.397 272 HA ASP 36 HA ASP 36 -5.695 -2.610 -6.911 273 HB2 ASP 36 2HB ASP 36 -4.483 -4.516 -8.710 274 HB3 ASP 36 1HB ASP 36 -5.263 -5.352 -7.373 275 H ASN 37 H ASN 37 -2.697 -4.375 -6.272 276 HA ASN 37 HA ASN 37 -3.649 -5.443 -3.777 277 HB2 ASN 37 2HB ASN 37 -0.869 -5.364 -4.969 278 HB3 ASN 37 1HB ASN 37 -1.320 -6.256 -3.519 279 HD21 ASN 37 1HD2 ASN 37 -0.176 -7.518 -5.660 280 HD22 ASN 37 2HD2 ASN 37 -1.335 -8.557 -6.409 281 H ALA 38 H ALA 38 -1.588 -2.776 -4.808 282 HA ALA 38 HA ALA 38 -0.551 -2.029 -2.326 283 HB1 ALA 38 1HB ALA 38 0.455 -0.479 -3.557 284 HB2 ALA 38 2HB ALA 38 -1.087 0.288 -3.939 285 HB3 ALA 38 3HB ALA 38 -0.486 -1.032 -4.942 286 H ASP 39 H ASP 39 -3.574 -1.095 -3.920 287 HA ASP 39 HA ASP 39 -4.417 0.823 -2.063 288 HB2 ASP 39 2HB ASP 39 -5.395 0.190 -4.383 289 HB3 ASP 39 1HB ASP 39 -6.344 -0.994 -3.487 290 H LEU 40 H LEU 40 -4.222 0.278 0.058 291 HA LEU 40 HA LEU 40 -5.283 -2.245 1.026 292 HB2 LEU 40 2HB LEU 40 -3.975 0.041 2.501 293 HB3 LEU 40 1HB LEU 40 -4.420 -1.499 3.213 294 HG LEU 40 HG LEU 40 -2.330 -1.043 1.084 295 HD11 LEU 40 1HD1 LEU 40 -2.232 -1.674 4.012 296 HD12 LEU 40 2HD1 LEU 40 -1.398 -0.400 3.122 297 HD13 LEU 40 3HD1 LEU 40 -0.897 -2.081 2.935 298 HD21 LEU 40 3HD2 LEU 40 -3.527 -3.145 0.708 299 HD22 LEU 40 1HD2 LEU 40 -3.219 -3.619 2.378 300 HD23 LEU 40 2HD2 LEU 40 -1.875 -3.431 1.252 301 H ASN 41 H ASN 41 -6.276 1.052 0.766 302 HA ASN 41 HA ASN 41 -8.482 0.589 2.647 303 HB2 ASN 41 2HB ASN 41 -8.796 3.011 2.646 304 HB3 ASN 41 1HB ASN 41 -7.130 2.604 3.045 305 HD21 ASN 41 1HD2 ASN 41 -7.514 5.088 2.320 306 HD22 ASN 41 2HD2 ASN 41 -6.965 5.389 0.709 307 H GLU 42 H GLU 42 -7.833 0.456 -0.626 308 HA GLU 42 HA GLU 42 -9.134 0.282 -2.481 309 HB2 GLU 42 2HB GLU 42 -11.519 0.158 -0.643 310 HB3 GLU 42 1HB GLU 42 -11.347 -0.550 -2.243 311 HG2 GLU 42 2HG GLU 42 -9.427 -1.911 -1.138 312 HG3 GLU 42 1HG GLU 42 -10.239 -1.474 0.365 313 H ASP 43 H ASP 43 -8.464 2.868 -1.621 314 HA ASP 43 HA ASP 43 -10.775 4.566 -1.734 315 HB2 ASP 43 2HB ASP 43 -9.106 6.407 -1.831 316 HB3 ASP 43 1HB ASP 43 -8.833 5.302 -0.487 317 H GLY 44 H GLY 44 -8.830 2.996 -4.058 318 HA2 GLY 44 2HA GLY 44 -9.401 2.898 -6.347 319 HA3 GLY 44 1HA GLY 44 -10.232 4.437 -6.181 320 H ARG 45 H ARG 45 -7.181 4.485 -4.713 321 HA ARG 45 HA ARG 45 -5.583 5.030 -7.003 322 HB2 ARG 45 2HB ARG 45 -5.244 7.447 -6.580 323 HB3 ARG 45 1HB ARG 45 -6.881 7.070 -7.099 324 HG2 ARG 45 2HG ARG 45 -7.625 7.179 -4.757 325 HG3 ARG 45 1HG ARG 45 -5.986 7.621 -4.277 326 HD2 ARG 45 2HD ARG 45 -7.432 9.585 -4.466 327 HD3 ARG 45 1HD ARG 45 -6.115 9.637 -5.635 328 HE ARG 45 HE ARG 45 -8.946 9.342 -6.196 329 HH11 ARG 45 1HH1 ARG 45 -5.682 9.162 -7.429 330 HH12 ARG 45 2HH1 ARG 45 -6.169 9.311 -9.083 331 HH21 ARG 45 1HH2 ARG 45 -9.582 9.537 -8.371 332 HH22 ARG 45 2HH2 ARG 45 -8.380 9.525 -9.618 333 H VAL 46 H VAL 46 -3.414 5.198 -6.500 334 HA VAL 46 HA VAL 46 -2.705 4.400 -3.812 335 HB VAL 46 HB VAL 46 -0.830 4.969 -6.109 336 HG11 VAL 46 1HG1 VAL 46 0.824 4.063 -4.862 337 HG12 VAL 46 2HG1 VAL 46 -0.253 2.908 -4.076 338 HG13 VAL 46 3HG1 VAL 46 -0.203 4.582 -3.525 339 HG21 VAL 46 3HG2 VAL 46 -2.195 2.378 -5.378 340 HG22 VAL 46 1HG2 VAL 46 -0.917 2.558 -6.581 341 HG23 VAL 46 2HG2 VAL 46 -2.480 3.337 -6.831 342 H ASN 47 H ASN 47 -2.932 6.108 -2.437 343 HA ASN 47 HA ASN 47 -1.409 8.549 -3.061 344 HB2 ASN 47 2HB ASN 47 -2.887 9.503 -1.152 345 HB3 ASN 47 1HB ASN 47 -3.608 9.260 -2.739 346 HD21 ASN 47 1HD2 ASN 47 -5.678 8.973 -2.093 347 HD22 ASN 47 2HD2 ASN 47 -6.214 7.642 -1.131 348 H SER 48 H SER 48 -0.944 9.711 -0.770 349 HA SER 48 HA SER 48 1.162 8.285 0.386 350 HB2 SER 48 2HB SER 48 -0.353 10.752 1.186 351 HB3 SER 48 1HB SER 48 0.864 10.072 2.266 352 HG SER 48 HG SER 48 1.397 10.640 -0.454 353 H THR 49 H THR 49 -2.228 8.411 1.174 354 HA THR 49 HA THR 49 -2.174 7.466 3.801 355 HB THR 49 HB THR 49 -4.288 6.701 1.795 356 HG1 THR 49 1HG THR 49 -3.860 9.203 3.047 357 HG21 THR 49 3HG2 THR 49 -4.623 7.561 4.651 358 HG22 THR 49 1HG2 THR 49 -4.445 5.876 4.161 359 HG23 THR 49 2HG2 THR 49 -5.817 6.822 3.584 360 H ASP 50 H ASP 50 -2.441 5.648 0.751 361 HA ASP 50 HA ASP 50 -2.516 3.086 1.875 362 HB2 ASP 50 2HB ASP 50 -1.312 3.861 -0.791 363 HB3 ASP 50 1HB ASP 50 -1.906 2.268 -0.330 364 H LEU 51 H LEU 51 0.208 5.119 0.909 365 HA LEU 51 HA LEU 51 2.253 3.237 1.272 366 HB2 LEU 51 2HB LEU 51 2.633 5.340 0.123 367 HB3 LEU 51 1HB LEU 51 2.292 6.238 1.590 368 HG LEU 51 HG LEU 51 4.514 4.273 1.710 369 HD11 LEU 51 1HD1 LEU 51 4.500 5.805 -0.493 370 HD12 LEU 51 2HD1 LEU 51 5.972 5.345 0.362 371 HD13 LEU 51 3HD1 LEU 51 5.245 6.926 0.647 372 HD21 LEU 51 3HD2 LEU 51 5.508 6.202 2.999 373 HD22 LEU 51 1HD2 LEU 51 4.053 5.483 3.690 374 HD23 LEU 51 2HD2 LEU 51 3.952 7.013 2.818 375 H GLY 52 H GLY 52 0.561 5.324 3.531 376 HA2 GLY 52 2HA GLY 52 2.328 4.816 5.732 377 HA3 GLY 52 1HA GLY 52 0.740 5.566 5.821 378 H ILE 53 H ILE 53 -0.581 3.319 4.485 379 HA ILE 53 HA ILE 53 -1.082 1.729 6.813 380 HB ILE 53 HB ILE 53 -2.075 1.262 3.998 381 HG12 ILE 53 2HG1 ILE 53 -3.719 2.595 6.107 382 HG13 ILE 53 1HG1 ILE 53 -2.514 3.555 5.255 383 HG21 ILE 53 1HG2 ILE 53 -3.392 0.454 6.576 384 HG22 ILE 53 2HG2 ILE 53 -2.254 -0.591 5.727 385 HG23 ILE 53 3HG2 ILE 53 -3.752 -0.096 4.940 386 HD11 ILE 53 3HD1 ILE 53 -4.155 3.921 3.791 387 HD12 ILE 53 1HD1 ILE 53 -5.095 2.537 4.351 388 HD13 ILE 53 2HD1 ILE 53 -3.782 2.302 3.199 389 H LEU 54 H LEU 54 0.762 1.354 3.869 390 HA LEU 54 HA LEU 54 1.145 -1.463 4.089 391 HB2 LEU 54 2HB LEU 54 1.536 0.328 2.108 392 HB3 LEU 54 1HB LEU 54 3.182 0.159 2.686 393 HG LEU 54 HG LEU 54 2.526 -2.443 2.470 394 HD11 LEU 54 1HD1 LEU 54 0.466 -2.524 1.538 395 HD12 LEU 54 2HD1 LEU 54 1.396 -2.344 0.051 396 HD13 LEU 54 3HD1 LEU 54 0.622 -0.939 0.782 397 HD21 LEU 54 3HD2 LEU 54 4.487 -1.740 1.460 398 HD22 LEU 54 1HD2 LEU 54 3.672 -0.503 0.502 399 HD23 LEU 54 2HD2 LEU 54 3.496 -2.206 0.077 400 H LYS 55 H LYS 55 3.188 1.347 4.852 401 HA LYS 55 HA LYS 55 5.382 -0.094 5.839 402 HB2 LYS 55 2HB LYS 55 4.713 2.596 5.491 403 HB3 LYS 55 1HB LYS 55 4.993 2.431 7.218 404 HG2 LYS 55 2HG LYS 55 7.203 2.136 6.964 405 HG3 LYS 55 1HG LYS 55 7.009 1.147 5.515 406 HD2 LYS 55 2HD LYS 55 6.651 3.124 4.167 407 HD3 LYS 55 1HD LYS 55 6.699 4.148 5.604 408 HE2 LYS 55 2HE LYS 55 8.998 2.403 4.753 409 HE3 LYS 55 1HE LYS 55 8.812 4.073 4.219 410 HZ1 LYS 55 3HZ LYS 55 9.142 3.116 7.009 411 HZ2 LYS 55 1HZ LYS 55 8.770 4.716 6.598 412 HZ3 LYS 55 2HZ LYS 55 10.239 4.035 6.109 413 H ARG 56 H ARG 56 2.615 1.345 7.545 414 HA ARG 56 HA ARG 56 3.373 0.588 10.135 415 HB2 ARG 56 2HB ARG 56 0.849 1.433 8.820 416 HB3 ARG 56 1HB ARG 56 0.698 0.609 10.366 417 HG2 ARG 56 2HG ARG 56 2.167 2.267 11.396 418 HG3 ARG 56 1HG ARG 56 2.324 3.091 9.843 419 HD2 ARG 56 2HD ARG 56 0.449 4.221 10.218 420 HD3 ARG 56 1HD ARG 56 -0.448 2.717 10.432 421 HE ARG 56 HE ARG 56 -0.353 3.017 12.702 422 HH11 ARG 56 1HH1 ARG 56 1.918 5.181 11.174 423 HH12 ARG 56 2HH1 ARG 56 2.260 6.052 12.632 424 HH21 ARG 56 1HH2 ARG 56 0.093 4.162 14.619 425 HH22 ARG 56 2HH2 ARG 56 1.224 5.473 14.587 426 H TYR 57 H TYR 57 1.421 -1.083 7.700 427 HA TYR 57 HA TYR 57 0.623 -3.260 9.276 428 HB2 TYR 57 2HB TYR 57 -0.345 -2.706 7.063 429 HB3 TYR 57 1HB TYR 57 1.152 -3.226 6.297 430 HD1 TYR 57 2HD TYR 57 -1.468 -4.513 8.630 431 HD2 TYR 57 1HD TYR 57 1.289 -5.397 5.512 432 HE1 TYR 57 2HE TYR 57 -2.328 -6.815 8.530 433 HE2 TYR 57 1HE TYR 57 0.436 -7.700 5.402 434 HH TYR 57 HH TYR 57 -0.748 -9.292 6.756 435 H ILE 58 H ILE 58 3.422 -2.881 7.120 436 HA ILE 58 HA ILE 58 4.489 -5.460 7.605 437 HB ILE 58 HB ILE 58 6.005 -3.004 6.721 438 HG12 ILE 58 2HG1 ILE 58 4.966 -5.040 4.801 439 HG13 ILE 58 1HG1 ILE 58 3.842 -3.836 5.425 440 HG21 ILE 58 1HG2 ILE 58 7.463 -4.810 7.377 441 HG22 ILE 58 2HG2 ILE 58 7.476 -4.658 5.620 442 HG23 ILE 58 3HG2 ILE 58 6.552 -5.949 6.386 443 HD11 ILE 58 3HD1 ILE 58 5.166 -2.055 4.540 444 HD12 ILE 58 1HD1 ILE 58 4.885 -3.235 3.261 445 HD13 ILE 58 2HD1 ILE 58 6.447 -3.175 4.078 446 H LEU 59 H LEU 59 4.525 -2.551 9.435 447 HA LEU 59 HA LEU 59 6.862 -3.335 10.984 448 HB2 LEU 59 2HB LEU 59 5.128 -0.909 10.845 449 HB3 LEU 59 1HB LEU 59 6.076 -1.192 12.293 450 HG LEU 59 HG LEU 59 7.198 -0.949 9.499 451 HD11 LEU 59 1HD1 LEU 59 7.332 0.984 11.808 452 HD12 LEU 59 2HD1 LEU 59 6.294 1.162 10.393 453 HD13 LEU 59 3HD1 LEU 59 8.048 1.195 10.209 454 HD21 LEU 59 3HD2 LEU 59 8.367 -1.656 12.134 455 HD22 LEU 59 1HD2 LEU 59 9.311 -0.622 11.062 456 HD23 LEU 59 2HD2 LEU 59 8.794 -2.217 10.518 457 H LYS 60 H LYS 60 4.044 -4.666 10.966 458 HA LYS 60 HA LYS 60 2.669 -5.701 12.452 459 HB2 LYS 60 2HB LYS 60 5.309 -5.573 13.786 460 HB3 LYS 60 1HB LYS 60 3.940 -5.952 14.821 461 HG2 LYS 60 2HG LYS 60 4.048 -7.465 12.309 462 HG3 LYS 60 1HG LYS 60 5.371 -7.778 13.434 463 HD2 LYS 60 2HD LYS 60 3.525 -8.016 15.210 464 HD3 LYS 60 1HD LYS 60 2.422 -8.159 13.840 465 HE2 LYS 60 2HE LYS 60 3.419 -10.136 13.093 466 HE3 LYS 60 1HE LYS 60 4.882 -9.861 14.037 467 HZ1 LYS 60 3HZ LYS 60 2.206 -10.524 15.144 468 HZ2 LYS 60 1HZ LYS 60 3.606 -10.252 16.055 469 HZ3 LYS 60 2HZ LYS 60 3.516 -11.587 15.021 470 H GLU 61 H GLU 61 2.601 -2.768 12.291 471 HA GLU 61 HA GLU 61 1.943 -1.939 15.003 472 HB2 GLU 61 2HB GLU 61 2.066 -0.472 12.371 473 HB3 GLU 61 1HB GLU 61 1.453 0.273 13.841 474 HG2 GLU 61 2HG GLU 61 4.147 -1.001 13.851 475 HG3 GLU 61 1HG GLU 61 3.934 0.596 13.136 476 H ILE 62 H ILE 62 0.359 -2.500 11.898 477 HA ILE 62 HA ILE 62 -2.238 -2.370 13.288 478 HB ILE 62 HB ILE 62 -3.212 -1.771 11.036 479 HG12 ILE 62 2HG1 ILE 62 -0.328 -1.111 10.400 480 HG13 ILE 62 1HG1 ILE 62 -1.228 -2.456 9.706 481 HG21 ILE 62 1HG2 ILE 62 -3.168 0.414 11.606 482 HG22 ILE 62 2HG2 ILE 62 -1.409 0.459 11.727 483 HG23 ILE 62 3HG2 ILE 62 -2.368 -0.208 13.049 484 HD11 ILE 62 3HD1 ILE 62 -2.697 -0.977 8.563 485 HD12 ILE 62 1HD1 ILE 62 -1.046 -0.442 8.252 486 HD13 ILE 62 2HD1 ILE 62 -2.047 0.422 9.419 487 H ASP 63 H ASP 63 -3.380 -4.189 13.262 488 HA ASP 63 HA ASP 63 -2.599 -6.297 11.363 489 HB2 ASP 63 2HB ASP 63 -2.352 -6.728 13.847 490 HB3 ASP 63 1HB ASP 63 -4.109 -6.677 13.950 491 H THR 64 H THR 64 -4.713 -3.986 11.289 492 HA THR 64 HA THR 64 -7.053 -5.647 10.664 493 HB THR 64 HB THR 64 -6.905 -2.647 11.005 494 HG1 THR 64 1HG THR 64 -7.706 -4.676 12.814 495 HG21 THR 64 3HG2 THR 64 -8.897 -2.772 9.983 496 HG22 THR 64 1HG2 THR 64 -9.444 -3.302 11.574 497 HG23 THR 64 2HG2 THR 64 -9.087 -4.493 10.323 498 H LEU 65 H LEU 65 -6.989 -6.291 8.603 499 HA LEU 65 HA LEU 65 -6.640 -4.230 6.544 500 HB2 LEU 65 2HB LEU 65 -4.660 -5.939 6.997 501 HB3 LEU 65 1HB LEU 65 -5.643 -6.980 5.988 502 HG LEU 65 HG LEU 65 -5.532 -5.367 4.164 503 HD11 LEU 65 1HD1 LEU 65 -5.079 -3.225 4.517 504 HD12 LEU 65 2HD1 LEU 65 -3.464 -3.644 5.087 505 HD13 LEU 65 3HD1 LEU 65 -4.808 -3.566 6.226 506 HD21 LEU 65 3HD2 LEU 65 -2.923 -6.203 5.401 507 HD22 LEU 65 1HD2 LEU 65 -3.021 -5.439 3.813 508 HD23 LEU 65 2HD2 LEU 65 -3.822 -6.984 4.099 509 HA PRO 66 HA PRO 66 -6.897 -3.999 4.417 510 HB2 PRO 66 2HB PRO 66 -8.835 -2.778 3.003 511 HB3 PRO 66 1HB PRO 66 -8.064 -4.267 2.446 512 HG2 PRO 66 2HG PRO 66 -10.701 -3.892 3.807 513 HG3 PRO 66 1HG PRO 66 -10.283 -4.945 2.443 514 HD2 PRO 66 2HD PRO 66 -10.507 -5.825 5.022 515 HD3 PRO 66 1HD PRO 66 -9.468 -6.594 3.808 516 H TYR 67 H TYR 67 -6.923 -1.653 4.568 517 HA TYR 67 HA TYR 67 -7.844 -0.754 7.106 518 HB2 TYR 67 2HB TYR 67 -5.760 0.076 6.116 519 HB3 TYR 67 1HB TYR 67 -6.666 0.808 4.796 520 HD1 TYR 67 2HD TYR 67 -6.800 0.823 8.540 521 HD2 TYR 67 1HD TYR 67 -6.912 3.087 4.940 522 HE1 TYR 67 2HE TYR 67 -7.032 2.889 9.853 523 HE2 TYR 67 1HE TYR 67 -7.143 5.159 6.241 524 HH TYR 67 HH TYR 67 -6.477 5.401 9.447 525 H LYS 68 H LYS 68 -10.017 -0.643 7.330 526 HA LYS 68 HA LYS 68 -11.578 0.765 5.289 527 HB2 LYS 68 2HB LYS 68 -12.231 -1.530 6.269 528 HB3 LYS 68 1HB LYS 68 -12.713 -0.629 7.700 529 HG2 LYS 68 2HG LYS 68 -14.655 -0.957 6.388 530 HG3 LYS 68 1HG LYS 68 -14.204 0.741 6.230 531 HD2 LYS 68 2HD LYS 68 -14.004 0.541 4.022 532 HD3 LYS 68 1HD LYS 68 -12.902 -0.826 4.200 533 HE2 LYS 68 2HE LYS 68 -14.634 -2.385 4.139 534 HE3 LYS 68 1HE LYS 68 -15.858 -1.179 4.530 535 HZ1 LYS 68 3HZ LYS 68 -16.045 -0.550 2.392 536 HZ2 LYS 68 1HZ LYS 68 -15.422 -2.089 2.072 537 HZ3 LYS 68 2HZ LYS 68 -14.399 -0.743 2.059 538 H ASN 69 H ASN 69 -10.843 2.874 5.827 539 HA ASN 69 HA ASN 69 -11.335 3.905 8.484 540 HB2 ASN 69 2HB ASN 69 -9.532 4.574 6.570 541 HB3 ASN 69 1HB ASN 69 -10.763 5.802 6.289 542 HD21 ASN 69 1HD2 ASN 69 -9.404 7.442 6.989 543 HD22 ASN 69 2HD2 ASN 69 -9.020 7.671 8.658 Start of MODEL 7 1 H1 SER 1 1HT SER 1 0.423 -14.063 -9.567 2 H2 SER 1 2HT SER 1 -0.038 -15.678 -9.213 3 H3 SER 1 3HT SER 1 1.565 -15.151 -8.898 4 HA SER 1 HA SER 1 0.280 -15.302 -6.901 5 HB2 SER 1 2HB SER 1 0.757 -12.401 -7.582 6 HB3 SER 1 1HB SER 1 1.007 -13.217 -6.038 7 HG SER 1 HG SER 1 2.693 -14.420 -7.100 8 H THR 2 H THR 2 -1.297 -14.035 -5.537 9 HA THR 2 HA THR 2 -3.704 -13.472 -7.132 10 HB THR 2 HB THR 2 -3.977 -15.364 -5.638 11 HG1 THR 2 1HG THR 2 -5.764 -14.595 -4.482 12 HG21 THR 2 3HG2 THR 2 -2.402 -13.876 -3.839 13 HG22 THR 2 1HG2 THR 2 -3.064 -15.499 -3.635 14 HG23 THR 2 2HG2 THR 2 -3.986 -14.097 -3.095 15 H LYS 3 H LYS 3 -5.271 -11.951 -5.949 16 HA LYS 3 HA LYS 3 -3.989 -9.438 -5.656 17 HB2 LYS 3 2HB LYS 3 -6.717 -10.455 -5.763 18 HB3 LYS 3 1HB LYS 3 -6.548 -9.127 -4.623 19 HG2 LYS 3 2HG LYS 3 -5.814 -7.646 -6.294 20 HG3 LYS 3 1HG LYS 3 -5.522 -8.956 -7.438 21 HD2 LYS 3 2HD LYS 3 -8.191 -9.251 -6.810 22 HD3 LYS 3 1HD LYS 3 -7.976 -7.499 -6.846 23 HE2 LYS 3 2HE LYS 3 -8.312 -7.742 -9.056 24 HE3 LYS 3 1HE LYS 3 -6.616 -8.224 -9.072 25 HZ1 LYS 3 3HZ LYS 3 -7.139 -10.396 -9.383 26 HZ2 LYS 3 1HZ LYS 3 -8.496 -9.713 -10.129 27 HZ3 LYS 3 2HZ LYS 3 -8.606 -10.298 -8.547 28 H LEU 4 H LEU 4 -2.495 -9.835 -3.935 29 HA LEU 4 HA LEU 4 -3.674 -10.147 -1.270 30 HB2 LEU 4 2HB LEU 4 -1.545 -11.391 -2.291 31 HB3 LEU 4 1HB LEU 4 -0.734 -9.970 -1.660 32 HG LEU 4 HG LEU 4 -2.515 -11.716 0.031 33 HD11 LEU 4 1HD1 LEU 4 -0.048 -12.319 0.890 34 HD12 LEU 4 2HD1 LEU 4 0.284 -12.090 -0.826 35 HD13 LEU 4 3HD1 LEU 4 -0.917 -13.274 -0.311 36 HD21 LEU 4 3HD2 LEU 4 -2.219 -10.103 1.526 37 HD22 LEU 4 1HD2 LEU 4 -1.150 -9.225 0.432 38 HD23 LEU 4 2HD2 LEU 4 -0.490 -10.453 1.513 39 H TYR 5 H TYR 5 -3.960 -8.450 0.009 40 HA TYR 5 HA TYR 5 -3.427 -5.821 -0.769 41 HB2 TYR 5 2HB TYR 5 -3.900 -6.882 2.025 42 HB3 TYR 5 1HB TYR 5 -4.044 -5.199 1.528 43 HD1 TYR 5 1HD TYR 5 -5.779 -4.667 -0.305 44 HD2 TYR 5 2HD TYR 5 -5.748 -8.299 1.910 45 HE1 TYR 5 1HE TYR 5 -8.136 -5.039 -0.895 46 HE2 TYR 5 2HE TYR 5 -8.105 -8.682 1.325 47 HH TYR 5 HH TYR 5 -10.069 -7.364 0.633 48 H GLY 6 H GLY 6 -1.375 -5.236 -1.221 49 HA2 GLY 6 2HA GLY 6 0.488 -4.131 0.028 50 HA3 GLY 6 1HA GLY 6 0.638 -5.648 0.905 51 H ASP 7 H ASP 7 0.097 -7.190 -1.588 52 HA ASP 7 HA ASP 7 2.810 -7.456 -2.430 53 HB2 ASP 7 2HB ASP 7 1.278 -9.383 -2.291 54 HB3 ASP 7 1HB ASP 7 0.298 -8.693 -3.581 55 H VAL 8 H VAL 8 3.285 -5.368 -3.274 56 HA VAL 8 HA VAL 8 1.842 -4.385 -5.569 57 HB VAL 8 HB VAL 8 3.575 -2.617 -5.629 58 HG11 VAL 8 1HG1 VAL 8 2.701 -1.443 -3.854 59 HG12 VAL 8 2HG1 VAL 8 2.726 -2.840 -2.778 60 HG13 VAL 8 3HG1 VAL 8 1.500 -2.722 -4.040 61 HG21 VAL 8 3HG2 VAL 8 5.340 -2.510 -4.056 62 HG22 VAL 8 1HG2 VAL 8 5.391 -4.135 -4.739 63 HG23 VAL 8 2HG2 VAL 8 4.701 -3.873 -3.137 64 H ASN 9 H ASN 9 4.707 -6.273 -4.969 65 HA ASN 9 HA ASN 9 5.631 -6.018 -7.713 66 HB2 ASN 9 2HB ASN 9 7.432 -7.609 -6.928 67 HB3 ASN 9 1HB ASN 9 7.374 -6.062 -6.089 68 HD21 ASN 9 1HD2 ASN 9 8.576 -7.166 -4.430 69 HD22 ASN 9 2HD2 ASN 9 7.737 -8.124 -3.262 70 H ASP 10 H ASP 10 3.134 -7.594 -6.528 71 HA ASP 10 HA ASP 10 2.040 -9.566 -6.904 72 HB2 ASP 10 2HB ASP 10 1.838 -10.128 -9.262 73 HB3 ASP 10 1HB ASP 10 1.840 -8.380 -9.061 74 H ASP 11 H ASP 11 4.150 -10.266 -5.487 75 HA ASP 11 HA ASP 11 5.455 -12.479 -6.912 76 HB2 ASP 11 2HB ASP 11 7.076 -12.480 -5.043 77 HB3 ASP 11 1HB ASP 11 7.007 -10.925 -5.868 78 H GLY 12 H GLY 12 3.064 -11.785 -4.574 79 HA2 GLY 12 2HA GLY 12 1.552 -13.394 -3.751 80 HA3 GLY 12 1HA GLY 12 2.745 -14.645 -4.069 81 H LYS 13 H LYS 13 3.697 -11.750 -2.412 82 HA LYS 13 HA LYS 13 3.218 -12.681 0.235 83 HB2 LYS 13 2HB LYS 13 5.023 -14.237 -0.400 84 HB3 LYS 13 1HB LYS 13 6.060 -12.869 -0.784 85 HG2 LYS 13 2HG LYS 13 5.478 -12.215 1.721 86 HG3 LYS 13 1HG LYS 13 5.250 -13.960 1.846 87 HD2 LYS 13 2HD LYS 13 7.580 -13.906 0.515 88 HD3 LYS 13 1HD LYS 13 7.716 -12.389 1.407 89 HE2 LYS 13 2HE LYS 13 7.135 -15.090 2.618 90 HE3 LYS 13 1HE LYS 13 8.702 -14.284 2.628 91 HZ1 LYS 13 3HZ LYS 13 6.480 -12.739 3.678 92 HZ2 LYS 13 1HZ LYS 13 8.067 -12.879 4.246 93 HZ3 LYS 13 2HZ LYS 13 6.932 -14.082 4.600 94 H VAL 14 H VAL 14 3.459 -11.061 1.701 95 HA VAL 14 HA VAL 14 4.082 -8.437 0.651 96 HB VAL 14 HB VAL 14 3.290 -9.153 3.474 97 HG11 VAL 14 1HG1 VAL 14 3.901 -6.984 3.692 98 HG12 VAL 14 2HG1 VAL 14 2.285 -6.707 3.045 99 HG13 VAL 14 3HG1 VAL 14 3.686 -6.637 1.976 100 HG21 VAL 14 3HG2 VAL 14 1.470 -9.963 2.328 101 HG22 VAL 14 1HG2 VAL 14 1.662 -8.821 0.998 102 HG23 VAL 14 2HG2 VAL 14 1.004 -8.276 2.541 103 H ASN 15 H ASN 15 6.246 -8.167 0.401 104 HA ASN 15 HA ASN 15 7.957 -8.671 2.743 105 HB2 ASN 15 2HB ASN 15 8.378 -9.759 0.385 106 HB3 ASN 15 1HB ASN 15 9.073 -8.186 0.007 107 HD21 ASN 15 1HD2 ASN 15 10.463 -10.652 0.075 108 HD22 ASN 15 2HD2 ASN 15 11.663 -10.543 1.314 109 H SER 16 H SER 16 9.908 -7.145 2.809 110 HA SER 16 HA SER 16 8.994 -4.529 3.240 111 HB2 SER 16 2HB SER 16 11.246 -3.978 3.792 112 HB3 SER 16 1HB SER 16 11.018 -5.654 4.291 113 HG SER 16 HG SER 16 11.946 -6.197 2.174 114 H THR 17 H THR 17 10.450 -6.057 0.457 115 HA THR 17 HA THR 17 11.238 -3.786 -0.973 116 HB THR 17 HB THR 17 10.189 -6.404 -2.068 117 HG1 THR 17 1HG THR 17 12.769 -5.583 -1.251 118 HG21 THR 17 3HG2 THR 17 10.346 -5.190 -3.982 119 HG22 THR 17 1HG2 THR 17 12.014 -5.743 -3.841 120 HG23 THR 17 2HG2 THR 17 11.580 -4.111 -3.333 121 H ASP 18 H ASP 18 8.100 -5.238 -0.502 122 HA ASP 18 HA ASP 18 6.751 -3.940 -2.623 123 HB2 ASP 18 2HB ASP 18 5.787 -5.136 -0.025 124 HB3 ASP 18 1HB ASP 18 4.691 -4.434 -1.210 125 H ALA 19 H ALA 19 7.307 -3.080 0.761 126 HA ALA 19 HA ALA 19 5.667 -0.798 0.837 127 HB1 ALA 19 1HB ALA 19 7.826 -1.924 2.493 128 HB2 ALA 19 2HB ALA 19 6.242 -1.301 2.957 129 HB3 ALA 19 3HB ALA 19 7.572 -0.186 2.646 130 H VAL 20 H VAL 20 9.192 -1.051 0.353 131 HA VAL 20 HA VAL 20 9.656 1.668 -0.118 132 HB VAL 20 HB VAL 20 11.457 0.059 0.349 133 HG11 VAL 20 1HG1 VAL 20 11.018 -0.900 -2.477 134 HG12 VAL 20 2HG1 VAL 20 10.603 -1.797 -1.015 135 HG13 VAL 20 3HG1 VAL 20 12.290 -1.430 -1.375 136 HG21 VAL 20 3HG2 VAL 20 12.838 0.824 -1.859 137 HG22 VAL 20 1HG2 VAL 20 12.547 1.852 -0.457 138 HG23 VAL 20 2HG2 VAL 20 11.504 1.978 -1.874 139 H ALA 21 H ALA 21 8.818 -0.955 -2.335 140 HA ALA 21 HA ALA 21 9.173 0.410 -4.750 141 HB1 ALA 21 1HB ALA 21 8.838 -1.786 -5.182 142 HB2 ALA 21 2HB ALA 21 7.172 -1.248 -5.398 143 HB3 ALA 21 3HB ALA 21 7.671 -1.981 -3.873 144 H LEU 22 H LEU 22 6.396 0.268 -2.568 145 HA LEU 22 HA LEU 22 4.587 1.654 -4.234 146 HB2 LEU 22 2HB LEU 22 4.025 0.283 -2.193 147 HB3 LEU 22 1HB LEU 22 4.588 1.629 -1.219 148 HG LEU 22 HG LEU 22 2.840 3.060 -2.122 149 HD11 LEU 22 1HD1 LEU 22 2.346 0.703 -3.889 150 HD12 LEU 22 2HD1 LEU 22 2.450 2.415 -4.302 151 HD13 LEU 22 3HD1 LEU 22 1.022 1.792 -3.476 152 HD21 LEU 22 3HD2 LEU 22 2.497 1.254 -0.234 153 HD22 LEU 22 1HD2 LEU 22 1.363 0.580 -1.405 154 HD23 LEU 22 2HD2 LEU 22 1.152 2.232 -0.822 155 H LYS 23 H LYS 23 6.977 2.721 -1.888 156 HA LYS 23 HA LYS 23 6.181 5.404 -1.678 157 HB2 LYS 23 2HB LYS 23 8.086 3.900 -0.485 158 HB3 LYS 23 1HB LYS 23 9.085 4.838 -1.587 159 HG2 LYS 23 2HG LYS 23 7.105 6.100 0.286 160 HG3 LYS 23 1HG LYS 23 8.782 5.781 0.730 161 HD2 LYS 23 2HD LYS 23 9.172 7.833 -0.095 162 HD3 LYS 23 1HD LYS 23 9.079 7.041 -1.669 163 HE2 LYS 23 2HE LYS 23 6.612 7.528 -1.647 164 HE3 LYS 23 1HE LYS 23 6.893 8.520 -0.216 165 HZ1 LYS 23 3HZ LYS 23 8.512 9.022 -2.609 166 HZ2 LYS 23 1HZ LYS 23 7.993 10.101 -1.414 167 HZ3 LYS 23 2HZ LYS 23 6.910 9.563 -2.596 168 H ARG 24 H ARG 24 8.360 3.780 -3.943 169 HA ARG 24 HA ARG 24 9.241 6.115 -5.269 170 HB2 ARG 24 2HB ARG 24 9.022 3.385 -6.530 171 HB3 ARG 24 1HB ARG 24 10.171 4.663 -6.904 172 HG2 ARG 24 2HG ARG 24 11.003 4.352 -4.501 173 HG3 ARG 24 1HG ARG 24 10.105 2.833 -4.535 174 HD2 ARG 24 2HD ARG 24 11.413 2.531 -6.813 175 HD3 ARG 24 1HD ARG 24 12.540 3.644 -6.038 176 HE ARG 24 HE ARG 24 11.784 1.418 -4.384 177 HH11 ARG 24 1HH1 ARG 24 13.994 2.537 -6.842 178 HH12 ARG 24 2HH1 ARG 24 15.226 1.390 -6.435 179 HH21 ARG 24 1HH2 ARG 24 13.403 -0.092 -3.847 180 HH22 ARG 24 2HH2 ARG 24 14.890 -0.104 -4.734 181 H TYR 25 H TYR 25 6.428 4.070 -5.637 182 HA TYR 25 HA TYR 25 5.615 4.966 -8.185 183 HB2 TYR 25 2HB TYR 25 4.745 2.929 -7.018 184 HB3 TYR 25 1HB TYR 25 3.836 3.986 -5.945 185 HD1 TYR 25 2HD TYR 25 4.239 3.015 -9.505 186 HD2 TYR 25 1HD TYR 25 1.727 4.810 -6.578 187 HE1 TYR 25 2HE TYR 25 2.388 3.051 -11.124 188 HE2 TYR 25 1HE TYR 25 -0.130 4.851 -8.188 189 HH TYR 25 HH TYR 25 0.127 4.674 -11.300 190 H VAL 26 H VAL 26 4.797 6.066 -4.912 191 HA VAL 26 HA VAL 26 2.937 8.037 -5.671 192 HB VAL 26 HB VAL 26 4.729 8.144 -3.244 193 HG11 VAL 26 1HG1 VAL 26 2.972 9.436 -2.243 194 HG12 VAL 26 2HG1 VAL 26 1.933 9.194 -3.648 195 HG13 VAL 26 3HG1 VAL 26 3.394 10.170 -3.790 196 HG21 VAL 26 3HG2 VAL 26 2.445 7.075 -2.309 197 HG22 VAL 26 1HG2 VAL 26 3.835 6.114 -2.814 198 HG23 VAL 26 2HG2 VAL 26 2.482 6.355 -3.919 199 H LEU 27 H LEU 27 6.422 8.013 -5.573 200 HA LEU 27 HA LEU 27 6.777 10.838 -5.717 201 HB2 LEU 27 2HB LEU 27 8.480 9.167 -4.919 202 HB3 LEU 27 1HB LEU 27 8.711 8.699 -6.593 203 HG LEU 27 HG LEU 27 9.119 11.351 -6.818 204 HD11 LEU 27 1HD1 LEU 27 10.646 11.894 -4.836 205 HD12 LEU 27 2HD1 LEU 27 9.780 10.613 -3.989 206 HD13 LEU 27 3HD1 LEU 27 8.904 12.019 -4.593 207 HD21 LEU 27 3HD2 LEU 27 11.078 9.196 -6.058 208 HD22 LEU 27 1HD2 LEU 27 11.563 10.806 -6.587 209 HD23 LEU 27 2HD2 LEU 27 10.655 9.757 -7.675 210 H ARG 28 H ARG 28 5.664 8.600 -7.966 211 HA ARG 28 HA ARG 28 5.184 8.725 -10.182 212 HB2 ARG 28 2HB ARG 28 5.533 11.552 -9.390 213 HB3 ARG 28 1HB ARG 28 5.668 11.228 -11.113 214 HG2 ARG 28 2HG ARG 28 3.367 10.006 -9.727 215 HG3 ARG 28 1HG ARG 28 3.353 11.763 -9.890 216 HD2 ARG 28 2HD ARG 28 4.097 10.239 -12.305 217 HD3 ARG 28 1HD ARG 28 2.424 10.074 -11.773 218 HE ARG 28 HE ARG 28 3.660 12.403 -12.922 219 HH11 ARG 28 1HH1 ARG 28 1.048 11.241 -10.919 220 HH12 ARG 28 2HH1 ARG 28 0.038 12.614 -11.224 221 HH21 ARG 28 1HH2 ARG 28 2.332 14.210 -13.323 222 HH22 ARG 28 2HH2 ARG 28 0.766 14.299 -12.588 223 H SER 29 H SER 29 7.460 7.519 -9.807 224 HA SER 29 HA SER 29 9.496 8.814 -11.475 225 HB2 SER 29 2HB SER 29 11.088 7.323 -10.535 226 HB3 SER 29 1HB SER 29 10.070 7.838 -9.190 227 HG SER 29 HG SER 29 8.918 5.875 -9.416 228 H GLY 30 H GLY 30 6.929 7.351 -12.329 229 HA2 GLY 30 2HA GLY 30 6.313 6.097 -14.149 230 HA3 GLY 30 1HA GLY 30 7.979 6.217 -14.691 231 H ILE 31 H ILE 31 7.121 4.821 -11.603 232 HA ILE 31 HA ILE 31 8.306 2.303 -12.444 233 HB ILE 31 HB ILE 31 8.954 3.276 -10.278 234 HG12 ILE 31 2HG1 ILE 31 7.412 0.748 -9.731 235 HG13 ILE 31 1HG1 ILE 31 8.831 0.748 -10.774 236 HG21 ILE 31 1HG2 ILE 31 6.444 2.528 -8.945 237 HG22 ILE 31 2HG2 ILE 31 6.353 3.953 -9.982 238 HG23 ILE 31 3HG2 ILE 31 7.520 3.897 -8.661 239 HD11 ILE 31 3HD1 ILE 31 9.909 1.972 -8.699 240 HD12 ILE 31 1HD1 ILE 31 9.804 0.215 -8.797 241 HD13 ILE 31 2HD1 ILE 31 8.626 1.116 -7.843 242 H SER 32 H SER 32 7.178 0.576 -13.042 243 HA SER 32 HA SER 32 4.281 0.638 -12.869 244 HB2 SER 32 2HB SER 32 5.963 -0.245 -14.816 245 HB3 SER 32 1HB SER 32 5.592 -1.759 -13.993 246 HG SER 32 HG SER 32 3.592 -1.654 -14.680 247 H ILE 33 H ILE 33 3.234 -0.199 -11.200 248 HA ILE 33 HA ILE 33 4.234 -2.665 -9.975 249 HB ILE 33 HB ILE 33 3.861 -1.848 -7.723 250 HG12 ILE 33 2HG1 ILE 33 3.255 0.825 -9.012 251 HG13 ILE 33 1HG1 ILE 33 2.072 -0.227 -8.242 252 HG21 ILE 33 1HG2 ILE 33 5.901 -0.915 -7.545 253 HG22 ILE 33 2HG2 ILE 33 5.542 0.348 -8.724 254 HG23 ILE 33 3HG2 ILE 33 5.996 -1.267 -9.271 255 HD11 ILE 33 3HD1 ILE 33 3.078 0.099 -6.103 256 HD12 ILE 33 1HD1 ILE 33 2.819 1.679 -6.842 257 HD13 ILE 33 2HD1 ILE 33 4.434 0.971 -6.820 258 H ASN 34 H ASN 34 2.468 -3.242 -8.135 259 HA ASN 34 HA ASN 34 -0.034 -3.457 -9.616 260 HB2 ASN 34 2HB ASN 34 1.268 -4.976 -7.419 261 HB3 ASN 34 1HB ASN 34 -0.492 -4.945 -7.428 262 HD21 ASN 34 1HD2 ASN 34 -0.779 -7.061 -7.956 263 HD22 ASN 34 2HD2 ASN 34 -0.343 -7.730 -9.488 264 H THR 35 H THR 35 -1.308 -1.722 -9.350 265 HA THR 35 HA THR 35 -1.405 -0.228 -6.909 266 HB THR 35 HB THR 35 -3.158 1.077 -8.023 267 HG1 THR 35 1HG THR 35 -2.914 -0.761 -10.164 268 HG21 THR 35 3HG2 THR 35 -1.686 1.075 -10.392 269 HG22 THR 35 1HG2 THR 35 -0.538 0.678 -9.114 270 HG23 THR 35 2HG2 THR 35 -1.501 2.152 -9.009 271 H ASP 36 H ASP 36 -3.261 -2.793 -8.364 272 HA ASP 36 HA ASP 36 -5.595 -2.606 -6.817 273 HB2 ASP 36 2HB ASP 36 -4.428 -4.460 -8.686 274 HB3 ASP 36 1HB ASP 36 -5.114 -5.341 -7.327 275 H ASN 37 H ASN 37 -2.556 -4.337 -6.290 276 HA ASN 37 HA ASN 37 -3.428 -5.408 -3.757 277 HB2 ASN 37 2HB ASN 37 -0.773 -5.434 -5.197 278 HB3 ASN 37 1HB ASN 37 -1.009 -6.155 -3.608 279 HD21 ASN 37 1HD2 ASN 37 -0.141 -7.836 -5.381 280 HD22 ASN 37 2HD2 ASN 37 -1.382 -8.879 -5.977 281 H ALA 38 H ALA 38 -1.458 -2.738 -4.901 282 HA ALA 38 HA ALA 38 -0.214 -2.004 -2.514 283 HB1 ALA 38 1HB ALA 38 -0.780 -0.732 -5.090 284 HB2 ALA 38 2HB ALA 38 0.689 -0.721 -4.115 285 HB3 ALA 38 3HB ALA 38 -0.623 0.397 -3.745 286 H ASP 39 H ASP 39 -3.418 -1.209 -3.768 287 HA ASP 39 HA ASP 39 -4.132 0.717 -1.863 288 HB2 ASP 39 2HB ASP 39 -5.327 -0.020 -4.053 289 HB3 ASP 39 1HB ASP 39 -6.127 -1.204 -3.025 290 H LEU 40 H LEU 40 -3.750 0.267 0.244 291 HA LEU 40 HA LEU 40 -4.472 -2.302 1.368 292 HB2 LEU 40 2HB LEU 40 -2.890 0.033 2.200 293 HB3 LEU 40 1HB LEU 40 -3.770 -0.750 3.500 294 HG LEU 40 HG LEU 40 -1.436 -1.562 3.234 295 HD11 LEU 40 1HD1 LEU 40 -3.531 -3.658 2.689 296 HD12 LEU 40 2HD1 LEU 40 -3.198 -2.943 4.266 297 HD13 LEU 40 3HD1 LEU 40 -1.963 -3.906 3.456 298 HD21 LEU 40 3HD2 LEU 40 -1.206 -1.410 0.838 299 HD22 LEU 40 1HD2 LEU 40 -2.485 -2.601 0.605 300 HD23 LEU 40 2HD2 LEU 40 -0.958 -3.082 1.343 301 H ASN 41 H ASN 41 -5.755 0.939 1.241 302 HA ASN 41 HA ASN 41 -7.788 0.270 3.237 303 HB2 ASN 41 2HB ASN 41 -8.334 2.618 3.281 304 HB3 ASN 41 1HB ASN 41 -6.587 2.446 3.406 305 HD21 ASN 41 1HD2 ASN 41 -7.486 4.837 2.726 306 HD22 ASN 41 2HD2 ASN 41 -7.223 5.163 1.050 307 H GLU 42 H GLU 42 -7.378 0.215 -0.109 308 HA GLU 42 HA GLU 42 -8.795 -0.138 -1.851 309 HB2 GLU 42 2HB GLU 42 -10.834 -0.727 0.302 310 HB3 GLU 42 1HB GLU 42 -10.943 -1.194 -1.390 311 HG2 GLU 42 2HG GLU 42 -8.541 -2.266 -0.642 312 HG3 GLU 42 1HG GLU 42 -9.514 -2.450 0.816 313 H ASP 43 H ASP 43 -8.467 2.511 -0.994 314 HA ASP 43 HA ASP 43 -11.017 3.820 -0.858 315 HB2 ASP 43 2HB ASP 43 -9.666 5.907 -1.077 316 HB3 ASP 43 1HB ASP 43 -9.132 4.858 0.234 317 H GLY 44 H GLY 44 -9.074 2.603 -3.387 318 HA2 GLY 44 2HA GLY 44 -10.046 2.435 -5.587 319 HA3 GLY 44 1HA GLY 44 -10.780 4.009 -5.333 320 H ARG 45 H ARG 45 -7.631 4.060 -4.185 321 HA ARG 45 HA ARG 45 -6.223 4.434 -6.629 322 HB2 ARG 45 2HB ARG 45 -5.788 6.922 -6.170 323 HB3 ARG 45 1HB ARG 45 -7.324 6.484 -6.905 324 HG2 ARG 45 2HG ARG 45 -8.284 6.517 -4.552 325 HG3 ARG 45 1HG ARG 45 -6.782 7.314 -4.073 326 HD2 ARG 45 2HD ARG 45 -8.548 8.938 -4.540 327 HD3 ARG 45 1HD ARG 45 -7.206 9.102 -5.671 328 HE ARG 45 HE ARG 45 -9.105 7.405 -6.816 329 HH11 ARG 45 1HH1 ARG 45 -8.787 10.751 -5.876 330 HH12 ARG 45 2HH1 ARG 45 -9.888 11.325 -7.083 331 HH21 ARG 45 1HH2 ARG 45 -10.553 8.158 -8.405 332 HH22 ARG 45 2HH2 ARG 45 -10.891 9.853 -8.519 333 H VAL 46 H VAL 46 -4.009 4.668 -6.321 334 HA VAL 46 HA VAL 46 -3.076 3.987 -3.670 335 HB VAL 46 HB VAL 46 -1.411 4.472 -6.141 336 HG11 VAL 46 1HG1 VAL 46 0.243 3.097 -5.023 337 HG12 VAL 46 2HG1 VAL 46 -0.845 2.860 -3.656 338 HG13 VAL 46 3HG1 VAL 46 -0.198 4.464 -4.000 339 HG21 VAL 46 3HG2 VAL 46 -2.915 2.783 -6.790 340 HG22 VAL 46 1HG2 VAL 46 -2.854 2.006 -5.207 341 HG23 VAL 46 2HG2 VAL 46 -1.457 1.930 -6.281 342 H ASN 47 H ASN 47 -3.218 5.753 -2.353 343 HA ASN 47 HA ASN 47 -1.772 8.175 -3.198 344 HB2 ASN 47 2HB ASN 47 -3.108 9.218 -1.242 345 HB3 ASN 47 1HB ASN 47 -3.959 8.867 -2.744 346 HD21 ASN 47 1HD2 ASN 47 -5.956 8.651 -1.837 347 HD22 ASN 47 2HD2 ASN 47 -6.386 7.354 -0.780 348 H SER 48 H SER 48 -1.131 9.442 -1.019 349 HA SER 48 HA SER 48 1.051 8.047 0.051 350 HB2 SER 48 2HB SER 48 1.067 10.460 0.005 351 HB3 SER 48 1HB SER 48 -0.366 10.535 1.032 352 HG SER 48 HG SER 48 2.211 10.369 1.749 353 H THR 49 H THR 49 -2.264 8.315 1.087 354 HA THR 49 HA THR 49 -2.013 7.548 3.763 355 HB THR 49 HB THR 49 -4.341 6.555 2.191 356 HG1 THR 49 1HG THR 49 -4.794 8.425 1.395 357 HG21 THR 49 3HG2 THR 49 -4.403 6.419 4.617 358 HG22 THR 49 1HG2 THR 49 -5.625 7.534 4.006 359 HG23 THR 49 2HG2 THR 49 -4.141 8.160 4.727 360 H ASP 50 H ASP 50 -2.612 5.536 0.884 361 HA ASP 50 HA ASP 50 -2.652 3.061 2.177 362 HB2 ASP 50 2HB ASP 50 -1.612 3.577 -0.615 363 HB3 ASP 50 1HB ASP 50 -2.291 2.075 0.006 364 H LEU 51 H LEU 51 0.039 4.934 0.863 365 HA LEU 51 HA LEU 51 2.064 3.031 1.179 366 HB2 LEU 51 2HB LEU 51 2.225 5.212 -0.053 367 HB3 LEU 51 1HB LEU 51 2.346 6.019 1.498 368 HG LEU 51 HG LEU 51 4.523 5.635 0.283 369 HD11 LEU 51 1HD1 LEU 51 4.814 4.188 2.826 370 HD12 LEU 51 2HD1 LEU 51 3.982 5.740 2.920 371 HD13 LEU 51 3HD1 LEU 51 5.611 5.652 2.250 372 HD21 LEU 51 3HD2 LEU 51 3.683 3.186 -0.250 373 HD22 LEU 51 1HD2 LEU 51 4.495 2.835 1.276 374 HD23 LEU 51 2HD2 LEU 51 5.397 3.556 -0.057 375 H GLY 52 H GLY 52 0.582 5.248 3.457 376 HA2 GLY 52 2HA GLY 52 2.506 4.813 5.539 377 HA3 GLY 52 1HA GLY 52 0.945 5.601 5.710 378 H ILE 53 H ILE 53 -0.598 3.398 4.672 379 HA ILE 53 HA ILE 53 -0.922 1.920 7.083 380 HB ILE 53 HB ILE 53 -2.135 1.354 4.374 381 HG12 ILE 53 2HG1 ILE 53 -3.379 2.898 6.649 382 HG13 ILE 53 1HG1 ILE 53 -2.509 3.682 5.335 383 HG21 ILE 53 1HG2 ILE 53 -3.920 0.272 5.721 384 HG22 ILE 53 2HG2 ILE 53 -2.916 0.493 7.155 385 HG23 ILE 53 3HG2 ILE 53 -2.357 -0.537 5.837 386 HD11 ILE 53 3HD1 ILE 53 -5.209 2.670 5.420 387 HD12 ILE 53 1HD1 ILE 53 -4.306 2.015 4.054 388 HD13 ILE 53 2HD1 ILE 53 -4.445 3.761 4.264 389 H LEU 54 H LEU 54 0.526 1.238 3.946 390 HA LEU 54 HA LEU 54 0.887 -1.527 4.262 391 HB2 LEU 54 2HB LEU 54 1.394 0.301 2.286 392 HB3 LEU 54 1HB LEU 54 3.014 -0.131 2.800 393 HG LEU 54 HG LEU 54 0.923 -2.135 1.952 394 HD11 LEU 54 1HD1 LEU 54 2.652 -2.273 -0.028 395 HD12 LEU 54 2HD1 LEU 54 2.941 -0.590 0.410 396 HD13 LEU 54 3HD1 LEU 54 1.322 -1.117 -0.052 397 HD21 LEU 54 3HD2 LEU 54 3.839 -2.678 1.940 398 HD22 LEU 54 1HD2 LEU 54 2.484 -3.764 2.248 399 HD23 LEU 54 2HD2 LEU 54 3.018 -2.642 3.501 400 H LYS 55 H LYS 55 2.989 1.209 5.080 401 HA LYS 55 HA LYS 55 5.161 -0.346 6.006 402 HB2 LYS 55 2HB LYS 55 4.334 2.503 6.203 403 HB3 LYS 55 1HB LYS 55 5.523 1.930 7.365 404 HG2 LYS 55 2HG LYS 55 7.143 1.691 5.805 405 HG3 LYS 55 1HG LYS 55 6.004 1.250 4.531 406 HD2 LYS 55 2HD LYS 55 6.385 3.318 3.748 407 HD3 LYS 55 1HD LYS 55 5.305 3.842 5.041 408 HE2 LYS 55 2HE LYS 55 7.184 5.196 5.306 409 HE3 LYS 55 1HE LYS 55 7.417 3.918 6.499 410 HZ1 LYS 55 3HZ LYS 55 9.380 4.562 5.022 411 HZ2 LYS 55 1HZ LYS 55 8.587 3.705 3.797 412 HZ3 LYS 55 2HZ LYS 55 9.053 2.915 5.218 413 H ARG 56 H ARG 56 2.272 0.912 7.562 414 HA ARG 56 HA ARG 56 3.012 0.447 10.232 415 HB2 ARG 56 2HB ARG 56 0.483 0.908 8.764 416 HB3 ARG 56 1HB ARG 56 0.330 0.106 10.321 417 HG2 ARG 56 2HG ARG 56 1.438 1.942 11.425 418 HG3 ARG 56 1HG ARG 56 1.738 2.729 9.874 419 HD2 ARG 56 2HD ARG 56 -0.239 3.732 9.997 420 HD3 ARG 56 1HD ARG 56 -1.038 2.162 10.044 421 HE ARG 56 HE ARG 56 -1.345 2.420 12.301 422 HH11 ARG 56 1HH1 ARG 56 0.979 4.776 11.192 423 HH12 ARG 56 2HH1 ARG 56 1.011 5.636 12.694 424 HH21 ARG 56 1HH2 ARG 56 -1.308 3.551 14.276 425 HH22 ARG 56 2HH2 ARG 56 -0.289 4.941 14.446 426 H TYR 57 H TYR 57 1.372 -1.615 7.864 427 HA TYR 57 HA TYR 57 0.857 -3.778 9.589 428 HB2 TYR 57 2HB TYR 57 -0.224 -3.499 7.387 429 HB3 TYR 57 1HB TYR 57 1.315 -3.824 6.598 430 HD1 TYR 57 1HD TYR 57 -1.419 -5.303 8.571 431 HD2 TYR 57 2HD TYR 57 2.153 -6.061 6.388 432 HE1 TYR 57 1HE TYR 57 -1.927 -7.708 8.588 433 HE2 TYR 57 2HE TYR 57 1.655 -8.469 6.398 434 HH TYR 57 HH TYR 57 0.358 -10.076 7.670 435 H ILE 58 H ILE 58 3.648 -2.934 7.619 436 HA ILE 58 HA ILE 58 5.026 -5.402 8.105 437 HB ILE 58 HB ILE 58 6.209 -2.800 7.138 438 HG12 ILE 58 2HG1 ILE 58 5.289 -5.046 5.361 439 HG13 ILE 58 1HG1 ILE 58 4.181 -3.766 5.846 440 HG21 ILE 58 1HG2 ILE 58 7.131 -5.646 7.168 441 HG22 ILE 58 2HG2 ILE 58 7.991 -4.189 7.664 442 HG23 ILE 58 3HG2 ILE 58 7.732 -4.519 5.951 443 HD11 ILE 58 3HD1 ILE 58 6.603 -3.611 4.112 444 HD12 ILE 58 1HD1 ILE 58 6.008 -2.178 4.949 445 HD13 ILE 58 2HD1 ILE 58 4.965 -3.029 3.810 446 H LEU 59 H LEU 59 4.613 -2.481 9.849 447 HA LEU 59 HA LEU 59 7.029 -2.893 11.435 448 HB2 LEU 59 2HB LEU 59 5.666 -0.625 10.625 449 HB3 LEU 59 1HB LEU 59 5.229 -0.776 12.316 450 HG LEU 59 HG LEU 59 7.947 -1.157 12.393 451 HD11 LEU 59 1HD1 LEU 59 9.003 0.481 11.029 452 HD12 LEU 59 2HD1 LEU 59 7.452 1.070 10.430 453 HD13 LEU 59 3HD1 LEU 59 8.023 -0.535 9.971 454 HD21 LEU 59 3HD2 LEU 59 8.010 1.181 13.238 455 HD22 LEU 59 1HD2 LEU 59 6.729 0.202 13.954 456 HD23 LEU 59 2HD2 LEU 59 6.344 1.378 12.697 457 H LYS 60 H LYS 60 4.510 -4.628 11.466 458 HA LYS 60 HA LYS 60 3.255 -5.771 12.978 459 HB2 LYS 60 2HB LYS 60 5.659 -6.029 13.872 460 HB3 LYS 60 1HB LYS 60 5.185 -4.862 15.098 461 HG2 LYS 60 2HG LYS 60 3.878 -6.339 16.196 462 HG3 LYS 60 1HG LYS 60 3.376 -7.162 14.718 463 HD2 LYS 60 2HD LYS 60 5.378 -8.415 14.623 464 HD3 LYS 60 1HD LYS 60 6.159 -7.400 15.837 465 HE2 LYS 60 2HE LYS 60 5.180 -8.483 17.559 466 HE3 LYS 60 1HE LYS 60 3.665 -8.716 16.688 467 HZ1 LYS 60 3HZ LYS 60 4.363 -10.841 16.665 468 HZ2 LYS 60 1HZ LYS 60 5.997 -10.440 16.851 469 HZ3 LYS 60 2HZ LYS 60 5.269 -10.340 15.328 470 H GLU 61 H GLU 61 2.636 -2.958 12.523 471 HA GLU 61 HA GLU 61 1.675 -2.037 15.121 472 HB2 GLU 61 2HB GLU 61 1.650 -0.745 12.390 473 HB3 GLU 61 1HB GLU 61 0.969 -0.007 13.833 474 HG2 GLU 61 2HG GLU 61 3.802 -0.913 13.882 475 HG3 GLU 61 1HG GLU 61 3.390 0.573 13.028 476 H ILE 62 H ILE 62 0.440 -3.043 11.965 477 HA ILE 62 HA ILE 62 -2.214 -3.368 13.200 478 HB ILE 62 HB ILE 62 -3.195 -2.894 10.942 479 HG12 ILE 62 2HG1 ILE 62 -0.423 -1.825 10.370 480 HG13 ILE 62 1HG1 ILE 62 -1.130 -3.259 9.634 481 HG21 ILE 62 1HG2 ILE 62 -3.456 -0.688 11.440 482 HG22 ILE 62 2HG2 ILE 62 -1.737 -0.437 11.738 483 HG23 ILE 62 3HG2 ILE 62 -2.736 -1.232 12.955 484 HD11 ILE 62 3HD1 ILE 62 -1.464 -1.663 8.017 485 HD12 ILE 62 1HD1 ILE 62 -1.784 -0.387 9.191 486 HD13 ILE 62 2HD1 ILE 62 -3.001 -1.626 8.882 487 H ASP 63 H ASP 63 -3.098 -5.326 12.998 488 HA ASP 63 HA ASP 63 -1.778 -7.249 11.203 489 HB2 ASP 63 2HB ASP 63 -3.139 -7.562 13.862 490 HB3 ASP 63 1HB ASP 63 -2.968 -8.939 12.778 491 H THR 64 H THR 64 -4.809 -5.788 12.076 492 HA THR 64 HA THR 64 -6.436 -7.642 10.600 493 HB THR 64 HB THR 64 -7.126 -4.888 11.638 494 HG1 THR 64 1HG THR 64 -7.960 -6.021 13.415 495 HG21 THR 64 3HG2 THR 64 -9.088 -7.099 11.284 496 HG22 THR 64 1HG2 THR 64 -8.657 -6.077 9.914 497 HG23 THR 64 2HG2 THR 64 -9.354 -5.358 11.365 498 H LEU 65 H LEU 65 -6.432 -7.720 8.463 499 HA LEU 65 HA LEU 65 -6.490 -5.206 6.957 500 HB2 LEU 65 2HB LEU 65 -4.393 -7.219 6.912 501 HB3 LEU 65 1HB LEU 65 -5.081 -6.964 5.321 502 HG LEU 65 HG LEU 65 -4.515 -4.625 5.374 503 HD11 LEU 65 1HD1 LEU 65 -4.752 -3.754 7.456 504 HD12 LEU 65 2HD1 LEU 65 -3.006 -3.999 7.472 505 HD13 LEU 65 3HD1 LEU 65 -4.067 -5.173 8.250 506 HD21 LEU 65 3HD2 LEU 65 -2.396 -6.610 6.035 507 HD22 LEU 65 1HD2 LEU 65 -1.963 -4.904 5.924 508 HD23 LEU 65 2HD2 LEU 65 -2.685 -5.721 4.539 509 HA PRO 66 HA PRO 66 -6.363 -4.853 4.666 510 HB2 PRO 66 2HB PRO 66 -8.190 -3.729 3.047 511 HB3 PRO 66 1HB PRO 66 -7.234 -5.130 2.542 512 HG2 PRO 66 2HG PRO 66 -10.048 -5.023 3.560 513 HG3 PRO 66 1HG PRO 66 -9.379 -5.965 2.214 514 HD2 PRO 66 2HD PRO 66 -9.848 -6.999 4.703 515 HD3 PRO 66 1HD PRO 66 -8.609 -7.622 3.596 516 H TYR 67 H TYR 67 -6.816 -2.468 4.734 517 HA TYR 67 HA TYR 67 -8.127 -1.826 7.214 518 HB2 TYR 67 2HB TYR 67 -6.017 -0.751 6.676 519 HB3 TYR 67 1HB TYR 67 -6.694 -0.092 5.191 520 HD1 TYR 67 2HD TYR 67 -7.412 -0.085 8.865 521 HD2 TYR 67 1HD TYR 67 -7.357 2.113 5.224 522 HE1 TYR 67 2HE TYR 67 -8.096 1.939 10.083 523 HE2 TYR 67 1HE TYR 67 -8.039 4.143 6.429 524 HH TYR 67 HH TYR 67 -7.792 4.954 8.956 525 H LYS 68 H LYS 68 -10.128 -1.075 7.476 526 HA LYS 68 HA LYS 68 -11.457 0.351 5.314 527 HB2 LYS 68 2HB LYS 68 -13.526 -1.109 5.703 528 HB3 LYS 68 1HB LYS 68 -12.221 -1.794 4.746 529 HG2 LYS 68 2HG LYS 68 -11.427 -2.811 6.985 530 HG3 LYS 68 1HG LYS 68 -13.069 -2.463 7.532 531 HD2 LYS 68 2HD LYS 68 -12.655 -3.897 4.946 532 HD3 LYS 68 1HD LYS 68 -12.488 -4.783 6.463 533 HE2 LYS 68 2HE LYS 68 -14.874 -3.084 6.289 534 HE3 LYS 68 1HE LYS 68 -14.830 -4.407 5.125 535 HZ1 LYS 68 3HZ LYS 68 -14.992 -4.502 8.044 536 HZ2 LYS 68 1HZ LYS 68 -14.146 -5.743 7.266 537 HZ3 LYS 68 2HZ LYS 68 -15.769 -5.461 6.888 538 H ASN 69 H ASN 69 -10.883 1.932 7.093 539 HA ASN 69 HA ASN 69 -13.125 2.066 8.998 540 HB2 ASN 69 2HB ASN 69 -10.702 1.549 9.904 541 HB3 ASN 69 1HB ASN 69 -10.486 3.285 9.701 542 HD21 ASN 69 1HD2 ASN 69 -10.353 2.001 12.162 543 HD22 ASN 69 2HD2 ASN 69 -11.676 2.535 13.138 Start of MODEL 8 1 H1 SER 1 1HT SER 1 0.252 -16.609 -7.832 2 H2 SER 1 2HT SER 1 1.868 -16.031 -7.863 3 H3 SER 1 3HT SER 1 0.610 -15.107 -8.577 4 HA SER 1 HA SER 1 1.174 -15.603 -5.748 5 HB2 SER 1 2HB SER 1 0.517 -13.048 -7.218 6 HB3 SER 1 1HB SER 1 1.286 -13.226 -5.642 7 HG SER 1 HG SER 1 3.144 -13.480 -6.591 8 H THR 2 H THR 2 -0.495 -13.686 -4.728 9 HA THR 2 HA THR 2 -3.209 -14.381 -5.558 10 HB THR 2 HB THR 2 -3.910 -15.112 -3.417 11 HG1 THR 2 1HG THR 2 -1.344 -14.455 -2.412 12 HG21 THR 2 3HG2 THR 2 -2.756 -16.895 -4.536 13 HG22 THR 2 1HG2 THR 2 -2.407 -16.962 -2.809 14 HG23 THR 2 2HG2 THR 2 -1.204 -16.319 -3.928 15 H LYS 3 H LYS 3 -4.837 -12.951 -4.704 16 HA LYS 3 HA LYS 3 -4.026 -10.247 -4.680 17 HB2 LYS 3 2HB LYS 3 -6.331 -11.382 -5.273 18 HB3 LYS 3 1HB LYS 3 -6.678 -11.074 -3.576 19 HG2 LYS 3 2HG LYS 3 -6.289 -8.704 -3.896 20 HG3 LYS 3 1HG LYS 3 -5.849 -8.985 -5.582 21 HD2 LYS 3 2HD LYS 3 -8.362 -10.200 -5.196 22 HD3 LYS 3 1HD LYS 3 -8.447 -8.616 -4.421 23 HE2 LYS 3 2HE LYS 3 -8.932 -7.883 -6.488 24 HE3 LYS 3 1HE LYS 3 -7.191 -7.995 -6.744 25 HZ1 LYS 3 3HZ LYS 3 -7.937 -10.484 -7.310 26 HZ2 LYS 3 1HZ LYS 3 -7.832 -9.259 -8.472 27 HZ3 LYS 3 2HZ LYS 3 -9.329 -9.654 -7.792 28 H LEU 4 H LEU 4 -2.458 -10.184 -2.981 29 HA LEU 4 HA LEU 4 -3.574 -10.308 -0.264 30 HB2 LEU 4 2HB LEU 4 -1.275 -11.411 -1.257 31 HB3 LEU 4 1HB LEU 4 -0.676 -9.918 -0.560 32 HG LEU 4 HG LEU 4 -2.319 -10.937 1.426 33 HD11 LEU 4 1HD1 LEU 4 -1.180 -13.266 1.641 34 HD12 LEU 4 2HD1 LEU 4 -1.027 -13.144 -0.112 35 HD13 LEU 4 3HD1 LEU 4 -2.621 -13.080 0.642 36 HD21 LEU 4 3HD2 LEU 4 0.097 -11.734 2.258 37 HD22 LEU 4 1HD2 LEU 4 -0.407 -10.044 2.242 38 HD23 LEU 4 2HD2 LEU 4 0.582 -10.681 0.929 39 H TYR 5 H TYR 5 -3.910 -8.492 0.840 40 HA TYR 5 HA TYR 5 -3.651 -5.952 -0.295 41 HB2 TYR 5 2HB TYR 5 -4.040 -6.853 2.557 42 HB3 TYR 5 1HB TYR 5 -4.006 -5.151 2.106 43 HD1 TYR 5 2HD TYR 5 -5.680 -4.419 0.260 44 HD2 TYR 5 1HD TYR 5 -6.046 -8.025 2.487 45 HE1 TYR 5 2HE TYR 5 -8.071 -4.516 -0.304 46 HE2 TYR 5 1HE TYR 5 -8.438 -8.134 1.928 47 HH TYR 5 HH TYR 5 -10.115 -5.508 0.506 48 H GLY 6 H GLY 6 -1.753 -5.102 -0.876 49 HA2 GLY 6 2HA GLY 6 0.091 -3.758 0.051 50 HA3 GLY 6 1HA GLY 6 0.412 -5.100 1.137 51 H ASP 7 H ASP 7 -0.085 -7.056 -1.054 52 HA ASP 7 HA ASP 7 2.574 -7.369 -1.916 53 HB2 ASP 7 2HB ASP 7 1.018 -9.254 -1.699 54 HB3 ASP 7 1HB ASP 7 0.046 -8.614 -3.019 55 H VAL 8 H VAL 8 3.090 -5.320 -2.860 56 HA VAL 8 HA VAL 8 1.736 -4.473 -5.259 57 HB VAL 8 HB VAL 8 3.551 -2.753 -5.372 58 HG11 VAL 8 1HG1 VAL 8 1.723 -1.875 -4.330 59 HG12 VAL 8 2HG1 VAL 8 2.877 -1.787 -2.999 60 HG13 VAL 8 3HG1 VAL 8 1.711 -3.108 -3.069 61 HG21 VAL 8 3HG2 VAL 8 4.429 -3.385 -2.628 62 HG22 VAL 8 1HG2 VAL 8 5.336 -2.722 -3.988 63 HG23 VAL 8 2HG2 VAL 8 5.026 -4.456 -3.896 64 H ASN 9 H ASN 9 4.581 -6.320 -4.448 65 HA ASN 9 HA ASN 9 5.673 -6.203 -7.119 66 HB2 ASN 9 2HB ASN 9 7.285 -7.920 -6.204 67 HB3 ASN 9 1HB ASN 9 7.273 -6.372 -5.363 68 HD21 ASN 9 1HD2 ASN 9 7.935 -7.024 -3.396 69 HD22 ASN 9 2HD2 ASN 9 7.064 -8.127 -2.391 70 H ASP 10 H ASP 10 3.190 -7.936 -5.676 71 HA ASP 10 HA ASP 10 1.944 -9.724 -6.316 72 HB2 ASP 10 2HB ASP 10 2.281 -8.440 -8.556 73 HB3 ASP 10 1HB ASP 10 3.372 -9.763 -8.958 74 H ASP 11 H ASP 11 3.850 -10.522 -4.722 75 HA ASP 11 HA ASP 11 5.150 -12.821 -6.024 76 HB2 ASP 11 2HB ASP 11 6.737 -12.814 -4.157 77 HB3 ASP 11 1HB ASP 11 6.713 -11.249 -4.964 78 H GLY 12 H GLY 12 2.722 -11.901 -3.806 79 HA2 GLY 12 2HA GLY 12 1.092 -13.491 -3.081 80 HA3 GLY 12 1HA GLY 12 2.341 -14.725 -3.089 81 H LYS 13 H LYS 13 3.267 -11.732 -1.716 82 HA LYS 13 HA LYS 13 2.339 -12.186 0.935 83 HB2 LYS 13 2HB LYS 13 4.336 -13.882 0.359 84 HB3 LYS 13 1HB LYS 13 5.292 -12.485 0.837 85 HG2 LYS 13 2HG LYS 13 5.011 -13.830 2.762 86 HG3 LYS 13 1HG LYS 13 3.967 -12.420 2.963 87 HD2 LYS 13 2HD LYS 13 2.661 -14.263 3.629 88 HD3 LYS 13 1HD LYS 13 2.101 -13.859 2.005 89 HE2 LYS 13 2HE LYS 13 2.303 -16.171 1.929 90 HE3 LYS 13 1HE LYS 13 3.818 -15.614 1.219 91 HZ1 LYS 13 3HZ LYS 13 3.376 -17.122 3.614 92 HZ2 LYS 13 1HZ LYS 13 4.372 -15.778 3.877 93 HZ3 LYS 13 2HZ LYS 13 4.790 -16.927 2.709 94 H VAL 14 H VAL 14 3.240 -10.619 2.476 95 HA VAL 14 HA VAL 14 3.929 -8.135 1.094 96 HB VAL 14 HB VAL 14 3.147 -8.486 3.989 97 HG11 VAL 14 1HG1 VAL 14 4.384 -6.388 3.119 98 HG12 VAL 14 2HG1 VAL 14 2.937 -6.178 4.105 99 HG13 VAL 14 3HG1 VAL 14 2.843 -5.997 2.354 100 HG21 VAL 14 3HG2 VAL 14 1.523 -8.392 1.528 101 HG22 VAL 14 1HG2 VAL 14 0.978 -7.368 2.856 102 HG23 VAL 14 2HG2 VAL 14 1.163 -9.104 3.100 103 H ASN 15 H ASN 15 6.089 -8.044 0.792 104 HA ASN 15 HA ASN 15 7.830 -8.570 3.106 105 HB2 ASN 15 2HB ASN 15 8.091 -9.799 0.809 106 HB3 ASN 15 1HB ASN 15 8.859 -8.299 0.303 107 HD21 ASN 15 1HD2 ASN 15 10.186 -10.720 0.349 108 HD22 ASN 15 2HD2 ASN 15 11.414 -10.666 1.562 109 H SER 16 H SER 16 9.903 -7.207 3.034 110 HA SER 16 HA SER 16 9.236 -4.519 3.411 111 HB2 SER 16 2HB SER 16 11.195 -5.618 4.451 112 HB3 SER 16 1HB SER 16 11.980 -5.680 2.873 113 HG SER 16 HG SER 16 11.093 -3.266 4.056 114 H THR 17 H THR 17 10.323 -6.243 0.583 115 HA THR 17 HA THR 17 11.232 -4.126 -0.988 116 HB THR 17 HB THR 17 9.778 -6.629 -1.869 117 HG1 THR 17 1HG THR 17 11.553 -7.593 -1.373 118 HG21 THR 17 3HG2 THR 17 10.241 -6.191 -4.000 119 HG22 THR 17 1HG2 THR 17 11.840 -5.551 -3.619 120 HG23 THR 17 2HG2 THR 17 10.419 -4.516 -3.474 121 H ASP 18 H ASP 18 7.994 -5.147 -0.186 122 HA ASP 18 HA ASP 18 6.627 -3.726 -2.217 123 HB2 ASP 18 2HB ASP 18 5.700 -4.615 0.522 124 HB3 ASP 18 1HB ASP 18 4.640 -3.989 -0.736 125 H ALA 19 H ALA 19 7.840 -2.842 0.946 126 HA ALA 19 HA ALA 19 6.443 -0.405 1.234 127 HB1 ALA 19 1HB ALA 19 8.634 0.073 2.683 128 HB2 ALA 19 2HB ALA 19 8.793 -1.675 2.509 129 HB3 ALA 19 3HB ALA 19 7.339 -0.989 3.234 130 H VAL 20 H VAL 20 9.671 -1.148 -0.054 131 HA VAL 20 HA VAL 20 10.310 1.552 -0.681 132 HB VAL 20 HB VAL 20 12.050 -0.151 -0.361 133 HG11 VAL 20 1HG1 VAL 20 12.502 -1.757 -2.214 134 HG12 VAL 20 2HG1 VAL 20 10.939 -1.321 -2.906 135 HG13 VAL 20 3HG1 VAL 20 11.018 -2.084 -1.318 136 HG21 VAL 20 3HG2 VAL 20 12.303 0.746 -3.204 137 HG22 VAL 20 1HG2 VAL 20 13.525 0.695 -1.934 138 HG23 VAL 20 2HG2 VAL 20 12.265 1.929 -1.896 139 H ALA 21 H ALA 21 8.770 -1.073 -2.426 140 HA ALA 21 HA ALA 21 8.877 0.124 -4.999 141 HB1 ALA 21 1HB ALA 21 7.428 -2.163 -3.775 142 HB2 ALA 21 2HB ALA 21 8.479 -2.114 -5.190 143 HB3 ALA 21 3HB ALA 21 6.824 -1.518 -5.301 144 H LEU 22 H LEU 22 6.492 0.147 -2.393 145 HA LEU 22 HA LEU 22 4.503 1.562 -3.859 146 HB2 LEU 22 2HB LEU 22 4.196 0.128 -1.768 147 HB3 LEU 22 1HB LEU 22 4.777 1.512 -0.863 148 HG LEU 22 HG LEU 22 2.894 2.851 -1.837 149 HD11 LEU 22 1HD1 LEU 22 1.392 0.413 -2.495 150 HD12 LEU 22 2HD1 LEU 22 2.662 0.846 -3.638 151 HD13 LEU 22 3HD1 LEU 22 1.382 1.999 -3.264 152 HD21 LEU 22 3HD2 LEU 22 1.318 2.102 -0.258 153 HD22 LEU 22 1HD2 LEU 22 2.892 1.676 0.415 154 HD23 LEU 22 2HD2 LEU 22 1.896 0.438 -0.350 155 H LYS 23 H LYS 23 7.187 2.502 -1.811 156 HA LYS 23 HA LYS 23 6.454 5.204 -1.441 157 HB2 LYS 23 2HB LYS 23 8.886 3.567 -1.067 158 HB3 LYS 23 1HB LYS 23 9.161 5.289 -1.297 159 HG2 LYS 23 2HG LYS 23 7.102 4.441 0.670 160 HG3 LYS 23 1HG LYS 23 8.805 4.261 1.095 161 HD2 LYS 23 2HD LYS 23 7.629 6.836 0.071 162 HD3 LYS 23 1HD LYS 23 7.721 6.435 1.787 163 HE2 LYS 23 2HE LYS 23 10.049 6.635 -0.122 164 HE3 LYS 23 1HE LYS 23 9.607 7.824 1.103 165 HZ1 LYS 23 3HZ LYS 23 9.808 5.640 2.599 166 HZ2 LYS 23 1HZ LYS 23 11.109 6.682 2.306 167 HZ3 LYS 23 2HZ LYS 23 10.942 5.261 1.404 168 H ARG 24 H ARG 24 8.575 3.632 -3.821 169 HA ARG 24 HA ARG 24 9.337 5.968 -5.182 170 HB2 ARG 24 2HB ARG 24 9.131 3.108 -6.134 171 HB3 ARG 24 1HB ARG 24 9.861 4.402 -7.076 172 HG2 ARG 24 2HG ARG 24 11.335 4.741 -4.957 173 HG3 ARG 24 1HG ARG 24 10.838 3.090 -4.583 174 HD2 ARG 24 2HD ARG 24 11.541 2.915 -7.226 175 HD3 ARG 24 1HD ARG 24 12.704 4.084 -6.601 176 HE ARG 24 HE ARG 24 12.435 1.731 -4.971 177 HH11 ARG 24 1HH1 ARG 24 14.062 3.138 -7.720 178 HH12 ARG 24 2HH1 ARG 24 15.429 2.080 -7.611 179 HH21 ARG 24 1HH2 ARG 24 14.232 0.339 -4.826 180 HH22 ARG 24 2HH2 ARG 24 15.525 0.491 -5.968 181 H TYR 25 H TYR 25 6.481 3.972 -5.390 182 HA TYR 25 HA TYR 25 5.541 4.939 -7.884 183 HB2 TYR 25 2HB TYR 25 4.777 2.835 -6.710 184 HB3 TYR 25 1HB TYR 25 3.850 3.865 -5.623 185 HD1 TYR 25 2HD TYR 25 4.181 2.716 -9.113 186 HD2 TYR 25 1HD TYR 25 1.786 4.847 -6.315 187 HE1 TYR 25 2HE TYR 25 2.317 2.716 -10.717 188 HE2 TYR 25 1HE TYR 25 -0.085 4.851 -7.911 189 HH TYR 25 HH TYR 25 -0.038 4.606 -10.802 190 H VAL 26 H VAL 26 4.602 5.744 -4.539 191 HA VAL 26 HA VAL 26 2.782 7.763 -5.142 192 HB VAL 26 HB VAL 26 4.592 7.731 -2.725 193 HG11 VAL 26 1HG1 VAL 26 3.224 9.255 -1.784 194 HG12 VAL 26 2HG1 VAL 26 1.779 8.583 -2.539 195 HG13 VAL 26 3HG1 VAL 26 2.842 9.646 -3.461 196 HG21 VAL 26 3HG2 VAL 26 2.440 5.916 -3.538 197 HG22 VAL 26 1HG2 VAL 26 2.250 6.588 -1.918 198 HG23 VAL 26 2HG2 VAL 26 3.716 5.702 -2.338 199 H LEU 27 H LEU 27 6.272 7.815 -5.025 200 HA LEU 27 HA LEU 27 6.500 10.674 -5.063 201 HB2 LEU 27 2HB LEU 27 8.271 9.304 -4.119 202 HB3 LEU 27 1HB LEU 27 8.510 8.505 -5.661 203 HG LEU 27 HG LEU 27 8.810 11.448 -5.673 204 HD11 LEU 27 1HD1 LEU 27 9.947 10.251 -3.551 205 HD12 LEU 27 2HD1 LEU 27 10.653 11.634 -4.390 206 HD13 LEU 27 3HD1 LEU 27 11.208 10.001 -4.760 207 HD21 LEU 27 3HD2 LEU 27 10.662 9.358 -6.768 208 HD22 LEU 27 1HD2 LEU 27 10.410 11.015 -7.319 209 HD23 LEU 27 2HD2 LEU 27 9.167 9.795 -7.595 210 H ARG 28 H ARG 28 5.628 8.419 -7.392 211 HA ARG 28 HA ARG 28 5.282 8.544 -9.633 212 HB2 ARG 28 2HB ARG 28 5.917 11.480 -9.284 213 HB3 ARG 28 1HB ARG 28 5.127 10.750 -10.676 214 HG2 ARG 28 2HG ARG 28 3.675 10.008 -8.351 215 HG3 ARG 28 1HG ARG 28 3.958 11.749 -8.297 216 HD2 ARG 28 2HD ARG 28 1.991 11.626 -9.497 217 HD3 ARG 28 1HD ARG 28 3.197 11.681 -10.783 218 HE ARG 28 HE ARG 28 2.481 9.016 -9.974 219 HH11 ARG 28 1HH1 ARG 28 1.661 11.694 -12.055 220 HH12 ARG 28 2HH1 ARG 28 0.828 10.706 -13.208 221 HH21 ARG 28 1HH2 ARG 28 1.388 7.714 -11.490 222 HH22 ARG 28 2HH2 ARG 28 0.672 8.446 -12.887 223 H SER 29 H SER 29 7.602 7.459 -9.106 224 HA SER 29 HA SER 29 9.686 8.874 -10.595 225 HB2 SER 29 2HB SER 29 11.175 7.055 -9.754 226 HB3 SER 29 1HB SER 29 10.394 7.968 -8.465 227 HG SER 29 HG SER 29 9.321 5.556 -9.477 228 H GLY 30 H GLY 30 7.231 7.407 -11.716 229 HA2 GLY 30 2HA GLY 30 6.783 6.240 -13.640 230 HA3 GLY 30 1HA GLY 30 8.480 6.426 -14.051 231 H ILE 31 H ILE 31 7.167 4.791 -11.212 232 HA ILE 31 HA ILE 31 8.520 2.344 -12.095 233 HB ILE 31 HB ILE 31 9.145 3.190 -9.881 234 HG12 ILE 31 2HG1 ILE 31 7.603 0.772 -9.143 235 HG13 ILE 31 1HG1 ILE 31 8.643 0.615 -10.555 236 HG21 ILE 31 1HG2 ILE 31 6.241 3.319 -9.554 237 HG22 ILE 31 2HG2 ILE 31 7.518 4.235 -8.754 238 HG23 ILE 31 3HG2 ILE 31 7.093 2.624 -8.176 239 HD11 ILE 31 3HD1 ILE 31 9.579 0.004 -8.245 240 HD12 ILE 31 1HD1 ILE 31 9.700 1.746 -7.999 241 HD13 ILE 31 2HD1 ILE 31 10.572 0.979 -9.327 242 H SER 32 H SER 32 7.482 0.360 -12.171 243 HA SER 32 HA SER 32 4.554 0.515 -12.322 244 HB2 SER 32 2HB SER 32 6.049 -0.277 -14.296 245 HB3 SER 32 1HB SER 32 6.183 -1.778 -13.382 246 HG SER 32 HG SER 32 4.181 -0.957 -14.933 247 H ILE 33 H ILE 33 3.279 -0.658 -11.011 248 HA ILE 33 HA ILE 33 4.324 -2.944 -9.565 249 HB ILE 33 HB ILE 33 3.772 -2.121 -7.356 250 HG12 ILE 33 2HG1 ILE 33 3.176 0.537 -8.680 251 HG13 ILE 33 1HG1 ILE 33 1.957 -0.572 -8.059 252 HG21 ILE 33 1HG2 ILE 33 5.510 -0.046 -8.664 253 HG22 ILE 33 2HG2 ILE 33 6.036 -1.706 -8.388 254 HG23 ILE 33 3HG2 ILE 33 5.613 -0.676 -7.021 255 HD11 ILE 33 3HD1 ILE 33 3.846 -0.073 -5.998 256 HD12 ILE 33 1HD1 ILE 33 2.133 0.343 -6.060 257 HD13 ILE 33 2HD1 ILE 33 3.338 1.467 -6.688 258 H ASN 34 H ASN 34 2.451 -3.557 -7.846 259 HA ASN 34 HA ASN 34 0.082 -3.908 -9.499 260 HB2 ASN 34 2HB ASN 34 1.212 -5.253 -7.087 261 HB3 ASN 34 1HB ASN 34 -0.527 -5.340 -7.343 262 HD21 ASN 34 1HD2 ASN 34 -0.738 -7.428 -7.894 263 HD22 ASN 34 2HD2 ASN 34 0.001 -8.155 -9.277 264 H THR 35 H THR 35 -1.266 -2.212 -9.417 265 HA THR 35 HA THR 35 -1.609 -0.618 -7.061 266 HB THR 35 HB THR 35 -3.357 0.536 -8.392 267 HG1 THR 35 1HG THR 35 -4.274 -0.742 -9.791 268 HG21 THR 35 3HG2 THR 35 -0.593 0.329 -9.118 269 HG22 THR 35 1HG2 THR 35 -1.669 1.725 -9.172 270 HG23 THR 35 2HG2 THR 35 -1.588 0.621 -10.545 271 H ASP 36 H ASP 36 -3.208 -3.345 -8.499 272 HA ASP 36 HA ASP 36 -5.707 -3.192 -7.258 273 HB2 ASP 36 2HB ASP 36 -4.187 -5.138 -8.740 274 HB3 ASP 36 1HB ASP 36 -4.991 -5.920 -7.385 275 H ASN 37 H ASN 37 -2.662 -4.619 -6.163 276 HA ASN 37 HA ASN 37 -3.826 -5.366 -3.608 277 HB2 ASN 37 2HB ASN 37 -0.985 -5.623 -4.614 278 HB3 ASN 37 1HB ASN 37 -1.614 -6.322 -3.126 279 HD21 ASN 37 1HD2 ASN 37 -0.417 -7.931 -4.929 280 HD22 ASN 37 2HD2 ASN 37 -1.583 -8.944 -5.702 281 H ALA 38 H ALA 38 -1.779 -2.895 -4.976 282 HA ALA 38 HA ALA 38 -0.558 -1.871 -2.703 283 HB1 ALA 38 1HB ALA 38 -0.016 -1.156 -4.982 284 HB2 ALA 38 2HB ALA 38 -0.348 0.221 -3.930 285 HB3 ALA 38 3HB ALA 38 -1.566 -0.320 -5.085 286 H ASP 39 H ASP 39 -3.706 -0.988 -4.109 287 HA ASP 39 HA ASP 39 -4.388 0.966 -2.221 288 HB2 ASP 39 2HB ASP 39 -5.510 0.345 -4.481 289 HB3 ASP 39 1HB ASP 39 -6.446 -0.796 -3.522 290 H LEU 40 H LEU 40 -4.093 0.423 -0.109 291 HA LEU 40 HA LEU 40 -5.163 -2.067 0.927 292 HB2 LEU 40 2HB LEU 40 -3.901 0.171 2.497 293 HB3 LEU 40 1HB LEU 40 -4.085 -1.503 2.980 294 HG LEU 40 HG LEU 40 -2.243 -0.445 0.837 295 HD11 LEU 40 1HD1 LEU 40 -0.669 -1.758 2.545 296 HD12 LEU 40 2HD1 LEU 40 -1.928 -1.241 3.667 297 HD13 LEU 40 3HD1 LEU 40 -1.047 -0.044 2.716 298 HD21 LEU 40 3HD2 LEU 40 -1.487 -2.991 1.149 299 HD22 LEU 40 1HD2 LEU 40 -2.651 -2.477 -0.073 300 HD23 LEU 40 2HD2 LEU 40 -3.215 -3.169 1.448 301 H ASN 41 H ASN 41 -5.977 1.321 0.859 302 HA ASN 41 HA ASN 41 -8.130 0.928 2.793 303 HB2 ASN 41 2HB ASN 41 -8.399 3.350 2.729 304 HB3 ASN 41 1HB ASN 41 -6.713 2.932 3.013 305 HD21 ASN 41 1HD2 ASN 41 -7.177 5.403 2.208 306 HD22 ASN 41 2HD2 ASN 41 -6.730 5.631 0.555 307 H GLU 42 H GLU 42 -7.669 0.783 -0.547 308 HA GLU 42 HA GLU 42 -9.087 0.593 -2.312 309 HB2 GLU 42 2HB GLU 42 -11.237 0.288 -0.210 310 HB3 GLU 42 1HB GLU 42 -11.338 -0.213 -1.893 311 HG2 GLU 42 2HG GLU 42 -9.174 -1.597 -1.173 312 HG3 GLU 42 1HG GLU 42 -9.975 -1.491 0.393 313 H ASP 43 H ASP 43 -8.475 3.202 -1.385 314 HA ASP 43 HA ASP 43 -10.870 4.784 -1.371 315 HB2 ASP 43 2HB ASP 43 -9.396 6.701 -1.300 316 HB3 ASP 43 1HB ASP 43 -8.793 5.473 -0.191 317 H GLY 44 H GLY 44 -9.049 3.309 -3.813 318 HA2 GLY 44 2HA GLY 44 -9.940 3.316 -6.053 319 HA3 GLY 44 1HA GLY 44 -10.392 4.997 -5.818 320 H ARG 45 H ARG 45 -7.543 5.148 -4.473 321 HA ARG 45 HA ARG 45 -5.835 4.959 -6.800 322 HB2 ARG 45 2HB ARG 45 -5.164 7.415 -6.526 323 HB3 ARG 45 1HB ARG 45 -6.684 7.081 -7.341 324 HG2 ARG 45 2HG ARG 45 -7.721 7.393 -4.983 325 HG3 ARG 45 1HG ARG 45 -6.205 8.222 -4.626 326 HD2 ARG 45 2HD ARG 45 -6.631 9.619 -6.685 327 HD3 ARG 45 1HD ARG 45 -8.247 8.917 -6.725 328 HE ARG 45 HE ARG 45 -7.545 10.105 -4.198 329 HH11 ARG 45 1HH1 ARG 45 -8.900 10.680 -7.363 330 HH12 ARG 45 2HH1 ARG 45 -9.792 12.077 -6.865 331 HH21 ARG 45 1HH2 ARG 45 -8.717 11.943 -3.542 332 HH22 ARG 45 2HH2 ARG 45 -9.688 12.795 -4.696 333 H VAL 46 H VAL 46 -3.604 5.218 -6.316 334 HA VAL 46 HA VAL 46 -2.964 4.508 -3.586 335 HB VAL 46 HB VAL 46 -1.044 4.926 -5.878 336 HG11 VAL 46 1HG1 VAL 46 -0.466 4.641 -3.262 337 HG12 VAL 46 2HG1 VAL 46 0.575 4.066 -4.565 338 HG13 VAL 46 3HG1 VAL 46 -0.524 2.948 -3.757 339 HG21 VAL 46 3HG2 VAL 46 -2.206 3.233 -6.822 340 HG22 VAL 46 1HG2 VAL 46 -2.916 2.723 -5.290 341 HG23 VAL 46 2HG2 VAL 46 -1.266 2.250 -5.698 342 H ASN 47 H ASN 47 -3.162 6.276 -2.281 343 HA ASN 47 HA ASN 47 -1.551 8.642 -2.974 344 HB2 ASN 47 2HB ASN 47 -3.020 9.769 -1.197 345 HB3 ASN 47 1HB ASN 47 -3.781 9.364 -2.733 346 HD21 ASN 47 1HD2 ASN 47 -5.832 9.049 -2.133 347 HD22 ASN 47 2HD2 ASN 47 -6.354 7.876 -0.978 348 H SER 48 H SER 48 -1.118 9.874 -0.693 349 HA SER 48 HA SER 48 0.971 8.511 0.520 350 HB2 SER 48 2HB SER 48 0.431 11.022 0.573 351 HB3 SER 48 1HB SER 48 -0.615 10.644 1.942 352 HG SER 48 HG SER 48 2.117 9.904 1.827 353 H THR 49 H THR 49 -2.435 8.482 1.249 354 HA THR 49 HA THR 49 -2.366 7.496 3.866 355 HB THR 49 HB THR 49 -4.457 6.670 1.869 356 HG1 THR 49 1HG THR 49 -4.327 9.187 3.163 357 HG21 THR 49 3HG2 THR 49 -5.332 7.760 4.403 358 HG22 THR 49 1HG2 THR 49 -4.298 6.344 4.598 359 HG23 THR 49 2HG2 THR 49 -5.756 6.241 3.612 360 H ASP 50 H ASP 50 -2.494 5.752 0.769 361 HA ASP 50 HA ASP 50 -2.567 3.158 1.797 362 HB2 ASP 50 2HB ASP 50 -1.265 4.097 -0.768 363 HB3 ASP 50 1HB ASP 50 -1.739 2.442 -0.398 364 H LEU 51 H LEU 51 0.214 5.186 0.926 365 HA LEU 51 HA LEU 51 2.237 3.332 1.413 366 HB2 LEU 51 2HB LEU 51 2.300 5.757 0.437 367 HB3 LEU 51 1HB LEU 51 2.587 6.225 2.102 368 HG LEU 51 HG LEU 51 4.701 6.058 0.984 369 HD11 LEU 51 1HD1 LEU 51 4.290 5.037 3.347 370 HD12 LEU 51 2HD1 LEU 51 5.836 4.793 2.531 371 HD13 LEU 51 3HD1 LEU 51 4.625 3.509 2.531 372 HD21 LEU 51 3HD2 LEU 51 3.529 3.566 -0.082 373 HD22 LEU 51 1HD2 LEU 51 5.254 3.533 0.281 374 HD23 LEU 51 2HD2 LEU 51 4.612 4.729 -0.844 375 H GLY 52 H GLY 52 0.527 5.490 3.622 376 HA2 GLY 52 2HA GLY 52 2.163 4.938 5.887 377 HA3 GLY 52 1HA GLY 52 0.563 5.664 5.917 378 H ILE 53 H ILE 53 -0.614 3.369 4.474 379 HA ILE 53 HA ILE 53 -1.196 1.761 6.783 380 HB ILE 53 HB ILE 53 -2.100 1.350 3.929 381 HG12 ILE 53 2HG1 ILE 53 -3.859 2.548 6.014 382 HG13 ILE 53 1HG1 ILE 53 -2.622 3.577 5.298 383 HG21 ILE 53 1HG2 ILE 53 -3.813 -0.039 4.809 384 HG22 ILE 53 2HG2 ILE 53 -3.407 0.399 6.468 385 HG23 ILE 53 3HG2 ILE 53 -2.296 -0.588 5.520 386 HD11 ILE 53 3HD1 ILE 53 -4.061 3.987 3.668 387 HD12 ILE 53 1HD1 ILE 53 -5.151 2.719 4.226 388 HD13 ILE 53 2HD1 ILE 53 -3.823 2.322 3.136 389 H LEU 54 H LEU 54 0.693 1.420 3.850 390 HA LEU 54 HA LEU 54 1.153 -1.393 4.173 391 HB2 LEU 54 2HB LEU 54 1.239 -0.048 2.002 392 HB3 LEU 54 1HB LEU 54 2.817 0.504 2.534 393 HG LEU 54 HG LEU 54 2.950 -2.268 2.775 394 HD11 LEU 54 1HD1 LEU 54 2.081 -1.917 -0.012 395 HD12 LEU 54 2HD1 LEU 54 0.795 -1.905 1.194 396 HD13 LEU 54 3HD1 LEU 54 1.883 -3.288 1.078 397 HD21 LEU 54 3HD2 LEU 54 4.882 -1.370 2.019 398 HD22 LEU 54 1HD2 LEU 54 4.062 -0.169 1.020 399 HD23 LEU 54 2HD2 LEU 54 4.216 -1.832 0.452 400 H LYS 55 H LYS 55 2.850 1.568 5.017 401 HA LYS 55 HA LYS 55 5.300 0.394 5.772 402 HB2 LYS 55 2HB LYS 55 4.118 2.997 5.798 403 HB3 LYS 55 1HB LYS 55 4.823 2.691 7.379 404 HG2 LYS 55 2HG LYS 55 6.958 2.579 6.563 405 HG3 LYS 55 1HG LYS 55 6.432 2.081 4.953 406 HD2 LYS 55 2HD LYS 55 6.957 4.229 4.454 407 HD3 LYS 55 1HD LYS 55 5.318 4.514 5.040 408 HE2 LYS 55 2HE LYS 55 7.637 4.566 6.930 409 HE3 LYS 55 1HE LYS 55 7.266 5.974 5.937 410 HZ1 LYS 55 3HZ LYS 55 6.235 5.793 8.267 411 HZ2 LYS 55 1HZ LYS 55 5.161 4.695 7.558 412 HZ3 LYS 55 2HZ LYS 55 5.246 6.285 6.987 413 H ARG 56 H ARG 56 2.537 1.449 7.762 414 HA ARG 56 HA ARG 56 3.554 0.465 10.197 415 HB2 ARG 56 2HB ARG 56 0.698 0.980 9.349 416 HB3 ARG 56 1HB ARG 56 1.210 0.669 11.002 417 HG2 ARG 56 2HG ARG 56 2.347 2.705 11.156 418 HG3 ARG 56 1HG ARG 56 2.356 2.933 9.406 419 HD2 ARG 56 2HD ARG 56 0.662 4.356 9.957 420 HD3 ARG 56 1HD ARG 56 -0.265 2.871 9.751 421 HE ARG 56 HE ARG 56 0.568 3.062 12.424 422 HH11 ARG 56 1HH1 ARG 56 -1.622 4.608 10.188 423 HH12 ARG 56 2HH1 ARG 56 -2.733 5.100 11.423 424 HH21 ARG 56 1HH2 ARG 56 -0.892 3.710 14.048 425 HH22 ARG 56 2HH2 ARG 56 -2.318 4.592 13.613 426 H TYR 57 H TYR 57 1.536 -0.992 7.705 427 HA TYR 57 HA TYR 57 0.758 -3.300 9.084 428 HB2 TYR 57 2HB TYR 57 -0.217 -2.581 6.929 429 HB3 TYR 57 1HB TYR 57 1.292 -2.995 6.120 430 HD1 TYR 57 2HD TYR 57 -1.328 -4.535 8.291 431 HD2 TYR 57 1HD TYR 57 1.505 -5.093 5.167 432 HE1 TYR 57 2HE TYR 57 -2.137 -6.836 7.976 433 HE2 TYR 57 1HE TYR 57 0.704 -7.395 4.843 434 HH TYR 57 HH TYR 57 -1.592 -8.632 5.332 435 H ILE 58 H ILE 58 3.539 -2.761 6.931 436 HA ILE 58 HA ILE 58 4.619 -5.369 7.321 437 HB ILE 58 HB ILE 58 6.080 -2.908 6.361 438 HG12 ILE 58 2HG1 ILE 58 4.878 -4.961 4.536 439 HG13 ILE 58 1HG1 ILE 58 3.867 -3.665 5.168 440 HG21 ILE 58 1HG2 ILE 58 7.506 -4.541 5.195 441 HG22 ILE 58 2HG2 ILE 58 6.609 -5.849 5.966 442 HG23 ILE 58 3HG2 ILE 58 7.559 -4.732 6.947 443 HD11 ILE 58 3HD1 ILE 58 4.747 -3.120 2.972 444 HD12 ILE 58 1HD1 ILE 58 6.394 -3.306 3.576 445 HD13 ILE 58 2HD1 ILE 58 5.368 -2.013 4.196 446 H LEU 59 H LEU 59 4.697 -2.487 9.175 447 HA LEU 59 HA LEU 59 7.129 -3.241 10.591 448 HB2 LEU 59 2HB LEU 59 5.571 -0.809 10.235 449 HB3 LEU 59 1HB LEU 59 6.007 -1.073 11.913 450 HG LEU 59 HG LEU 59 8.405 -1.501 10.800 451 HD11 LEU 59 1HD1 LEU 59 8.834 -0.153 8.926 452 HD12 LEU 59 2HD1 LEU 59 7.264 0.643 9.035 453 HD13 LEU 59 3HD1 LEU 59 7.364 -1.043 8.529 454 HD21 LEU 59 3HD2 LEU 59 8.881 0.910 11.267 455 HD22 LEU 59 1HD2 LEU 59 8.055 0.060 12.573 456 HD23 LEU 59 2HD2 LEU 59 7.151 1.144 11.514 457 H LYS 60 H LYS 60 4.362 -4.639 10.706 458 HA LYS 60 HA LYS 60 3.097 -5.727 12.248 459 HB2 LYS 60 2HB LYS 60 5.794 -5.561 13.367 460 HB3 LYS 60 1HB LYS 60 4.553 -5.753 14.597 461 HG2 LYS 60 2HG LYS 60 4.136 -7.546 12.364 462 HG3 LYS 60 1HG LYS 60 5.727 -7.758 13.097 463 HD2 LYS 60 2HD LYS 60 4.872 -8.626 14.988 464 HD3 LYS 60 1HD LYS 60 3.533 -7.478 15.023 465 HE2 LYS 60 2HE LYS 60 3.418 -9.488 12.877 466 HE3 LYS 60 1HE LYS 60 3.264 -10.123 14.514 467 HZ1 LYS 60 3HZ LYS 60 1.441 -8.452 12.996 468 HZ2 LYS 60 1HZ LYS 60 1.605 -8.049 14.631 469 HZ3 LYS 60 2HZ LYS 60 1.114 -9.605 14.189 470 H GLU 61 H GLU 61 2.859 -2.819 12.037 471 HA GLU 61 HA GLU 61 2.220 -1.998 14.764 472 HB2 GLU 61 2HB GLU 61 2.335 -0.522 12.140 473 HB3 GLU 61 1HB GLU 61 1.664 0.204 13.593 474 HG2 GLU 61 2HG GLU 61 3.831 -0.197 14.729 475 HG3 GLU 61 1HG GLU 61 4.481 -0.771 13.195 476 H ILE 62 H ILE 62 0.626 -2.290 11.599 477 HA ILE 62 HA ILE 62 -1.960 -2.386 13.014 478 HB ILE 62 HB ILE 62 -2.962 -1.651 10.819 479 HG12 ILE 62 2HG1 ILE 62 -0.142 -0.780 10.177 480 HG13 ILE 62 1HG1 ILE 62 -0.874 -2.233 9.503 481 HG21 ILE 62 1HG2 ILE 62 -1.359 -0.023 12.677 482 HG22 ILE 62 2HG2 ILE 62 -3.064 0.096 12.238 483 HG23 ILE 62 3HG2 ILE 62 -1.829 0.765 11.172 484 HD11 ILE 62 3HD1 ILE 62 -1.897 -1.057 7.937 485 HD12 ILE 62 1HD1 ILE 62 -0.997 0.355 8.489 486 HD13 ILE 62 2HD1 ILE 62 -2.606 0.028 9.134 487 H ASP 63 H ASP 63 -3.157 -4.168 12.786 488 HA ASP 63 HA ASP 63 -2.416 -6.075 10.666 489 HB2 ASP 63 2HB ASP 63 -3.078 -7.887 12.241 490 HB3 ASP 63 1HB ASP 63 -1.691 -6.955 12.798 491 H THR 64 H THR 64 -4.643 -3.927 11.167 492 HA THR 64 HA THR 64 -6.938 -5.687 10.632 493 HB THR 64 HB THR 64 -7.052 -2.770 11.393 494 HG1 THR 64 1HG THR 64 -7.359 -3.463 13.501 495 HG21 THR 64 3HG2 THR 64 -9.269 -3.941 12.408 496 HG22 THR 64 1HG2 THR 64 -9.048 -4.854 10.916 497 HG23 THR 64 2HG2 THR 64 -9.195 -3.098 10.862 498 H LEU 65 H LEU 65 -7.137 -5.970 8.499 499 HA LEU 65 HA LEU 65 -7.255 -3.568 6.814 500 HB2 LEU 65 2HB LEU 65 -5.441 -5.855 6.569 501 HB3 LEU 65 1HB LEU 65 -6.307 -5.486 5.090 502 HG LEU 65 HG LEU 65 -5.422 -3.242 5.059 503 HD11 LEU 65 1HD1 LEU 65 -4.592 -3.927 7.823 504 HD12 LEU 65 2HD1 LEU 65 -5.215 -2.413 7.166 505 HD13 LEU 65 3HD1 LEU 65 -3.536 -2.871 6.884 506 HD21 LEU 65 3HD2 LEU 65 -3.838 -4.377 3.938 507 HD22 LEU 65 1HD2 LEU 65 -3.655 -5.586 5.209 508 HD23 LEU 65 2HD2 LEU 65 -2.847 -4.024 5.353 509 HA PRO 66 HA PRO 66 -7.361 -3.565 4.389 510 HB2 PRO 66 2HB PRO 66 -9.269 -2.354 2.923 511 HB3 PRO 66 1HB PRO 66 -8.593 -3.924 2.470 512 HG2 PRO 66 2HG PRO 66 -11.165 -3.302 3.870 513 HG3 PRO 66 1HG PRO 66 -10.853 -4.465 2.568 514 HD2 PRO 66 2HD PRO 66 -11.042 -5.176 5.193 515 HD3 PRO 66 1HD PRO 66 -10.052 -6.059 4.014 516 H TYR 67 H TYR 67 -7.264 -1.213 4.359 517 HA TYR 67 HA TYR 67 -8.085 -0.077 6.836 518 HB2 TYR 67 2HB TYR 67 -5.979 0.523 5.631 519 HB3 TYR 67 1HB TYR 67 -6.954 1.344 4.417 520 HD1 TYR 67 1HD TYR 67 -6.236 1.331 8.073 521 HD2 TYR 67 2HD TYR 67 -7.511 3.589 4.701 522 HE1 TYR 67 1HE TYR 67 -6.190 3.378 9.434 523 HE2 TYR 67 2HE TYR 67 -7.468 5.642 6.051 524 HH TYR 67 HH TYR 67 -6.092 6.352 8.280 525 H LYS 68 H LYS 68 -9.634 1.447 7.282 526 HA LYS 68 HA LYS 68 -11.312 2.454 5.127 527 HB2 LYS 68 2HB LYS 68 -13.382 1.756 6.374 528 HB3 LYS 68 1HB LYS 68 -12.481 0.439 5.636 529 HG2 LYS 68 2HG LYS 68 -11.631 -0.280 7.713 530 HG3 LYS 68 1HG LYS 68 -12.142 1.205 8.519 531 HD2 LYS 68 2HD LYS 68 -14.503 0.281 7.519 532 HD3 LYS 68 1HD LYS 68 -13.663 -1.225 7.892 533 HE2 LYS 68 2HE LYS 68 -14.554 -0.877 9.940 534 HE3 LYS 68 1HE LYS 68 -13.134 0.150 10.133 535 HZ1 LYS 68 3HZ LYS 68 -15.931 0.884 9.872 536 HZ2 LYS 68 1HZ LYS 68 -14.839 1.868 9.033 537 HZ3 LYS 68 2HZ LYS 68 -14.680 1.661 10.704 538 H ASN 69 H ASN 69 -9.959 4.288 6.025 539 HA ASN 69 HA ASN 69 -11.610 5.781 7.882 540 HB2 ASN 69 2HB ASN 69 -9.161 4.525 8.724 541 HB3 ASN 69 1HB ASN 69 -8.982 6.275 8.800 542 HD21 ASN 69 1HD2 ASN 69 -9.752 3.701 10.578 543 HD22 ASN 69 2HD2 ASN 69 -10.835 4.415 11.719 Start of MODEL 9 1 H1 SER 1 1HT SER 1 0.128 -13.332 -10.671 2 H2 SER 1 2HT SER 1 1.527 -12.468 -10.181 3 H3 SER 1 3HT SER 1 -0.028 -11.767 -9.991 4 HA SER 1 HA SER 1 0.755 -14.275 -8.686 5 HB2 SER 1 2HB SER 1 1.998 -11.851 -8.262 6 HB3 SER 1 1HB SER 1 0.718 -11.837 -7.050 7 HG SER 1 HG SER 1 1.524 -14.046 -6.546 8 H THR 2 H THR 2 -0.415 -13.665 -6.279 9 HA THR 2 HA THR 2 -3.231 -13.794 -6.988 10 HB THR 2 HB THR 2 -3.606 -14.674 -4.818 11 HG1 THR 2 1HG THR 2 -2.559 -13.460 -3.401 12 HG21 THR 2 3HG2 THR 2 -2.453 -16.286 -6.202 13 HG22 THR 2 1HG2 THR 2 -1.950 -16.445 -4.520 14 HG23 THR 2 2HG2 THR 2 -0.893 -15.645 -5.683 15 H LYS 3 H LYS 3 -4.824 -12.636 -5.598 16 HA LYS 3 HA LYS 3 -4.091 -9.838 -5.457 17 HB2 LYS 3 2HB LYS 3 -6.367 -11.066 -6.231 18 HB3 LYS 3 1HB LYS 3 -6.775 -10.709 -4.559 19 HG2 LYS 3 2HG LYS 3 -5.674 -8.349 -5.507 20 HG3 LYS 3 1HG LYS 3 -6.644 -8.952 -6.852 21 HD2 LYS 3 2HD LYS 3 -8.592 -8.620 -5.760 22 HD3 LYS 3 1HD LYS 3 -7.922 -9.114 -4.205 23 HE2 LYS 3 2HE LYS 3 -7.091 -6.520 -5.435 24 HE3 LYS 3 1HE LYS 3 -8.635 -6.637 -4.591 25 HZ1 LYS 3 3HZ LYS 3 -6.361 -6.033 -3.378 26 HZ2 LYS 3 1HZ LYS 3 -6.320 -7.715 -3.198 27 HZ3 LYS 3 2HZ LYS 3 -7.631 -6.831 -2.598 28 H LEU 4 H LEU 4 -2.629 -9.938 -3.675 29 HA LEU 4 HA LEU 4 -3.908 -10.400 -1.066 30 HB2 LEU 4 2HB LEU 4 -1.374 -11.160 -2.133 31 HB3 LEU 4 1HB LEU 4 -1.096 -10.053 -0.802 32 HG LEU 4 HG LEU 4 -3.007 -12.286 -0.349 33 HD11 LEU 4 1HD1 LEU 4 -1.424 -13.673 -1.264 34 HD12 LEU 4 2HD1 LEU 4 -0.862 -13.581 0.406 35 HD13 LEU 4 3HD1 LEU 4 -0.086 -12.605 -0.841 36 HD21 LEU 4 3HD2 LEU 4 -1.431 -12.159 1.809 37 HD22 LEU 4 1HD2 LEU 4 -2.836 -11.120 1.582 38 HD23 LEU 4 2HD2 LEU 4 -1.223 -10.516 1.204 39 H TYR 5 H TYR 5 -3.774 -8.858 0.552 40 HA TYR 5 HA TYR 5 -3.620 -6.145 -0.339 41 HB2 TYR 5 2HB TYR 5 -3.907 -7.243 2.466 42 HB3 TYR 5 1HB TYR 5 -4.185 -5.573 1.981 43 HD1 TYR 5 1HD TYR 5 -5.845 -5.540 -0.248 44 HD2 TYR 5 2HD TYR 5 -5.845 -8.398 2.904 45 HE1 TYR 5 1HE TYR 5 -8.197 -6.071 -0.735 46 HE2 TYR 5 2HE TYR 5 -8.195 -8.937 2.425 47 HH TYR 5 HH TYR 5 -10.193 -7.050 0.667 48 H GLY 6 H GLY 6 -1.609 -5.473 -0.885 49 HA2 GLY 6 2HA GLY 6 0.233 -4.256 0.295 50 HA3 GLY 6 1HA GLY 6 0.496 -5.755 1.172 51 H ASP 7 H ASP 7 -0.030 -7.356 -1.278 52 HA ASP 7 HA ASP 7 2.645 -7.546 -2.184 53 HB2 ASP 7 2HB ASP 7 1.103 -9.471 -2.127 54 HB3 ASP 7 1HB ASP 7 0.137 -8.726 -3.397 55 H VAL 8 H VAL 8 3.069 -5.379 -2.905 56 HA VAL 8 HA VAL 8 1.661 -4.372 -5.219 57 HB VAL 8 HB VAL 8 3.393 -2.550 -5.140 58 HG11 VAL 8 1HG1 VAL 8 1.168 -2.459 -3.999 59 HG12 VAL 8 2HG1 VAL 8 2.411 -1.445 -3.267 60 HG13 VAL 8 3HG1 VAL 8 1.971 -2.981 -2.519 61 HG21 VAL 8 3HG2 VAL 8 4.189 -3.539 -2.444 62 HG22 VAL 8 1HG2 VAL 8 5.047 -2.468 -3.550 63 HG23 VAL 8 2HG2 VAL 8 4.991 -4.201 -3.867 64 H ASN 9 H ASN 9 4.628 -6.076 -4.533 65 HA ASN 9 HA ASN 9 5.698 -5.671 -7.190 66 HB2 ASN 9 2HB ASN 9 7.476 -7.273 -6.386 67 HB3 ASN 9 1HB ASN 9 7.314 -5.797 -5.438 68 HD21 ASN 9 1HD2 ASN 9 8.213 -6.697 -3.612 69 HD22 ASN 9 2HD2 ASN 9 7.394 -7.878 -2.654 70 H ASP 10 H ASP 10 3.390 -7.704 -5.863 71 HA ASP 10 HA ASP 10 2.289 -9.535 -6.635 72 HB2 ASP 10 2HB ASP 10 3.837 -8.995 -9.180 73 HB3 ASP 10 1HB ASP 10 2.446 -10.065 -9.035 74 H ASP 11 H ASP 11 4.193 -10.241 -4.998 75 HA ASP 11 HA ASP 11 5.664 -12.424 -6.322 76 HB2 ASP 11 2HB ASP 11 7.274 -12.313 -4.483 77 HB3 ASP 11 1HB ASP 11 7.133 -10.751 -5.283 78 H GLY 12 H GLY 12 3.209 -11.666 -4.070 79 HA2 GLY 12 2HA GLY 12 1.700 -13.307 -3.264 80 HA3 GLY 12 1HA GLY 12 2.973 -14.509 -3.403 81 H LYS 13 H LYS 13 3.808 -11.502 -1.949 82 HA LYS 13 HA LYS 13 3.121 -12.161 0.732 83 HB2 LYS 13 2HB LYS 13 4.950 -13.801 0.317 84 HB3 LYS 13 1HB LYS 13 6.036 -12.458 -0.006 85 HG2 LYS 13 2HG LYS 13 6.446 -13.121 2.214 86 HG3 LYS 13 1HG LYS 13 5.511 -11.629 2.316 87 HD2 LYS 13 2HD LYS 13 4.469 -12.991 3.879 88 HD3 LYS 13 1HD LYS 13 3.462 -13.209 2.445 89 HE2 LYS 13 2HE LYS 13 3.753 -15.390 3.080 90 HE3 LYS 13 1HE LYS 13 5.119 -15.195 1.982 91 HZ1 LYS 13 3HZ LYS 13 5.686 -16.285 4.113 92 HZ2 LYS 13 1HZ LYS 13 5.293 -14.854 4.926 93 HZ3 LYS 13 2HZ LYS 13 6.578 -14.876 3.827 94 H VAL 14 H VAL 14 3.454 -10.452 2.129 95 HA VAL 14 HA VAL 14 4.259 -7.955 0.845 96 HB VAL 14 HB VAL 14 3.023 -8.310 3.576 97 HG11 VAL 14 1HG1 VAL 14 3.906 -6.171 3.524 98 HG12 VAL 14 2HG1 VAL 14 2.256 -5.911 2.959 99 HG13 VAL 14 3HG1 VAL 14 3.586 -5.968 1.802 100 HG21 VAL 14 3HG2 VAL 14 1.545 -9.264 1.896 101 HG22 VAL 14 1HG2 VAL 14 1.663 -7.792 0.932 102 HG23 VAL 14 2HG2 VAL 14 0.883 -7.751 2.514 103 H ASN 15 H ASN 15 6.449 -7.812 0.899 104 HA ASN 15 HA ASN 15 7.756 -8.085 3.526 105 HB2 ASN 15 2HB ASN 15 9.867 -8.398 2.218 106 HB3 ASN 15 1HB ASN 15 8.674 -9.667 1.959 107 HD21 ASN 15 1HD2 ASN 15 10.926 -8.628 0.310 108 HD22 ASN 15 2HD2 ASN 15 10.221 -8.267 -1.225 109 H SER 16 H SER 16 9.997 -6.739 3.329 110 HA SER 16 HA SER 16 9.267 -4.050 3.574 111 HB2 SER 16 2HB SER 16 11.753 -3.623 3.560 112 HB3 SER 16 1HB SER 16 11.225 -4.849 4.713 113 HG SER 16 HG SER 16 13.087 -5.159 2.990 114 H THR 17 H THR 17 10.411 -5.890 0.836 115 HA THR 17 HA THR 17 11.220 -3.809 -0.844 116 HB THR 17 HB THR 17 9.862 -6.364 -1.715 117 HG1 THR 17 1HG THR 17 11.945 -7.257 -1.669 118 HG21 THR 17 3HG2 THR 17 10.270 -5.567 -3.747 119 HG22 THR 17 1HG2 THR 17 11.969 -5.885 -3.398 120 HG23 THR 17 2HG2 THR 17 11.300 -4.275 -3.130 121 H ASP 18 H ASP 18 8.040 -5.000 -0.028 122 HA ASP 18 HA ASP 18 6.625 -3.741 -2.139 123 HB2 ASP 18 2HB ASP 18 5.792 -4.785 0.563 124 HB3 ASP 18 1HB ASP 18 4.645 -4.027 -0.537 125 H ALA 19 H ALA 19 7.740 -2.676 0.995 126 HA ALA 19 HA ALA 19 6.143 -0.324 1.136 127 HB1 ALA 19 1HB ALA 19 8.411 -1.463 2.649 128 HB2 ALA 19 2HB ALA 19 6.882 -0.796 3.221 129 HB3 ALA 19 3HB ALA 19 8.192 0.285 2.748 130 H VAL 20 H VAL 20 9.452 -0.980 0.048 131 HA VAL 20 HA VAL 20 10.058 1.742 -0.536 132 HB VAL 20 HB VAL 20 11.825 0.099 -0.090 133 HG11 VAL 20 1HG1 VAL 20 10.858 -1.857 -1.128 134 HG12 VAL 20 2HG1 VAL 20 12.443 -1.536 -1.831 135 HG13 VAL 20 3HG1 VAL 20 10.981 -1.110 -2.721 136 HG21 VAL 20 3HG2 VAL 20 11.848 1.483 -2.757 137 HG22 VAL 20 1HG2 VAL 20 13.262 0.644 -2.120 138 HG23 VAL 20 2HG2 VAL 20 12.575 2.008 -1.238 139 H ALA 21 H ALA 21 8.688 -0.923 -2.351 140 HA ALA 21 HA ALA 21 8.959 0.211 -4.932 141 HB1 ALA 21 1HB ALA 21 7.420 -2.024 -3.740 142 HB2 ALA 21 2HB ALA 21 8.520 -2.010 -5.119 143 HB3 ALA 21 3HB ALA 21 6.875 -1.399 -5.297 144 H LEU 22 H LEU 22 6.365 0.298 -2.523 145 HA LEU 22 HA LEU 22 4.507 1.703 -4.135 146 HB2 LEU 22 2HB LEU 22 4.032 0.382 -2.024 147 HB3 LEU 22 1HB LEU 22 4.650 1.755 -1.125 148 HG LEU 22 HG LEU 22 2.876 3.172 -1.986 149 HD11 LEU 22 1HD1 LEU 22 2.415 0.845 -3.759 150 HD12 LEU 22 2HD1 LEU 22 2.275 2.573 -4.090 151 HD13 LEU 22 3HD1 LEU 22 0.998 1.739 -3.206 152 HD21 LEU 22 3HD2 LEU 22 2.526 1.689 0.021 153 HD22 LEU 22 1HD2 LEU 22 1.642 0.596 -1.043 154 HD23 LEU 22 2HD2 LEU 22 1.059 2.240 -0.788 155 H LYS 23 H LYS 23 7.145 2.699 -2.077 156 HA LYS 23 HA LYS 23 6.413 5.442 -1.890 157 HB2 LYS 23 2HB LYS 23 7.994 4.232 -0.351 158 HB3 LYS 23 1HB LYS 23 9.185 4.268 -1.644 159 HG2 LYS 23 2HG LYS 23 9.719 6.397 -1.248 160 HG3 LYS 23 1HG LYS 23 8.034 6.883 -1.058 161 HD2 LYS 23 2HD LYS 23 9.049 5.217 1.126 162 HD3 LYS 23 1HD LYS 23 9.882 6.764 0.956 163 HE2 LYS 23 2HE LYS 23 7.005 7.040 0.709 164 HE3 LYS 23 1HE LYS 23 7.470 6.312 2.247 165 HZ1 LYS 23 3HZ LYS 23 7.344 8.793 2.231 166 HZ2 LYS 23 1HZ LYS 23 8.687 8.804 1.201 167 HZ3 LYS 23 2HZ LYS 23 8.823 8.165 2.760 168 H ARG 24 H ARG 24 8.434 3.581 -4.100 169 HA ARG 24 HA ARG 24 9.566 5.751 -5.490 170 HB2 ARG 24 2HB ARG 24 9.068 2.874 -6.218 171 HB3 ARG 24 1HB ARG 24 9.784 3.998 -7.366 172 HG2 ARG 24 2HG ARG 24 11.499 4.484 -5.527 173 HG3 ARG 24 1HG ARG 24 10.893 3.013 -4.766 174 HD2 ARG 24 2HD ARG 24 12.446 1.986 -6.021 175 HD3 ARG 24 1HD ARG 24 11.270 2.172 -7.321 176 HE ARG 24 HE ARG 24 12.635 3.737 -8.293 177 HH11 ARG 24 1HH1 ARG 24 13.705 3.167 -5.020 178 HH12 ARG 24 2HH1 ARG 24 15.165 4.079 -5.206 179 HH21 ARG 24 1HH2 ARG 24 14.555 4.937 -8.539 180 HH22 ARG 24 2HH2 ARG 24 15.648 5.085 -7.204 181 H TYR 25 H TYR 25 6.517 4.049 -5.843 182 HA TYR 25 HA TYR 25 5.818 5.225 -8.346 183 HB2 TYR 25 2HB TYR 25 4.883 3.075 -7.305 184 HB3 TYR 25 1HB TYR 25 3.863 4.128 -6.332 185 HD1 TYR 25 2HD TYR 25 4.871 4.166 -9.934 186 HD2 TYR 25 1HD TYR 25 1.693 4.062 -7.109 187 HE1 TYR 25 2HE TYR 25 3.241 4.273 -11.772 188 HE2 TYR 25 1HE TYR 25 0.054 4.169 -8.939 189 HH TYR 25 HH TYR 25 0.352 5.196 -11.618 190 H VAL 26 H VAL 26 4.879 5.877 -4.981 191 HA VAL 26 HA VAL 26 3.127 7.999 -5.507 192 HB VAL 26 HB VAL 26 4.839 7.683 -3.040 193 HG11 VAL 26 1HG1 VAL 26 2.496 8.660 -2.171 194 HG12 VAL 26 2HG1 VAL 26 2.539 9.381 -3.779 195 HG13 VAL 26 3HG1 VAL 26 3.855 9.680 -2.644 196 HG21 VAL 26 3HG2 VAL 26 2.086 6.697 -2.943 197 HG22 VAL 26 1HG2 VAL 26 3.572 5.978 -2.323 198 HG23 VAL 26 2HG2 VAL 26 3.138 5.779 -4.020 199 H LEU 27 H LEU 27 6.567 7.850 -5.602 200 HA LEU 27 HA LEU 27 6.897 10.726 -5.353 201 HB2 LEU 27 2HB LEU 27 8.522 9.024 -4.422 202 HB3 LEU 27 1HB LEU 27 8.995 8.691 -6.076 203 HG LEU 27 HG LEU 27 9.795 10.965 -6.353 204 HD11 LEU 27 1HD1 LEU 27 8.589 12.453 -5.149 205 HD12 LEU 27 2HD1 LEU 27 9.907 12.225 -4.000 206 HD13 LEU 27 3HD1 LEU 27 8.388 11.356 -3.784 207 HD21 LEU 27 3HD2 LEU 27 11.003 10.310 -3.741 208 HD22 LEU 27 1HD2 LEU 27 11.764 10.602 -5.306 209 HD23 LEU 27 2HD2 LEU 27 11.035 9.033 -4.958 210 H ARG 28 H ARG 28 5.636 9.034 -7.723 211 HA ARG 28 HA ARG 28 5.432 9.258 -9.976 212 HB2 ARG 28 2HB ARG 28 6.809 11.914 -9.567 213 HB3 ARG 28 1HB ARG 28 5.781 11.457 -10.917 214 HG2 ARG 28 2HG ARG 28 4.516 11.208 -8.285 215 HG3 ARG 28 1HG ARG 28 4.959 12.854 -8.744 216 HD2 ARG 28 2HD ARG 28 3.635 12.772 -10.695 217 HD3 ARG 28 1HD ARG 28 3.448 11.023 -10.587 218 HE ARG 28 HE ARG 28 2.338 12.061 -8.283 219 HH11 ARG 28 1HH1 ARG 28 1.784 12.323 -11.718 220 HH12 ARG 28 2HH1 ARG 28 0.085 12.612 -11.548 221 HH21 ARG 28 1HH2 ARG 28 0.105 12.442 -8.057 222 HH22 ARG 28 2HH2 ARG 28 -0.869 12.680 -9.470 223 H SER 29 H SER 29 7.765 7.923 -8.981 224 HA SER 29 HA SER 29 10.069 8.728 -10.449 225 HB2 SER 29 2HB SER 29 9.366 6.096 -9.131 226 HB3 SER 29 1HB SER 29 10.945 6.473 -9.819 227 HG SER 29 HG SER 29 10.956 8.307 -8.338 228 H GLY 30 H GLY 30 7.343 6.643 -11.101 229 HA2 GLY 30 2HA GLY 30 6.644 6.206 -13.344 230 HA3 GLY 30 1HA GLY 30 8.318 6.345 -13.858 231 H ILE 31 H ILE 31 7.415 4.499 -11.042 232 HA ILE 31 HA ILE 31 8.435 2.092 -12.330 233 HB ILE 31 HB ILE 31 9.265 2.677 -10.090 234 HG12 ILE 31 2HG1 ILE 31 7.595 0.173 -9.890 235 HG13 ILE 31 1HG1 ILE 31 9.011 0.278 -10.932 236 HG21 ILE 31 1HG2 ILE 31 7.970 3.137 -8.317 237 HG22 ILE 31 2HG2 ILE 31 6.814 1.862 -8.702 238 HG23 ILE 31 3HG2 ILE 31 6.716 3.418 -9.526 239 HD11 ILE 31 3HD1 ILE 31 8.852 0.317 -7.953 240 HD12 ILE 31 1HD1 ILE 31 10.238 1.020 -8.787 241 HD13 ILE 31 2HD1 ILE 31 9.845 -0.685 -9.011 242 H SER 32 H SER 32 7.299 0.117 -12.375 243 HA SER 32 HA SER 32 4.389 0.457 -12.457 244 HB2 SER 32 2HB SER 32 6.266 -1.530 -13.731 245 HB3 SER 32 1HB SER 32 4.525 -1.803 -13.677 246 HG SER 32 HG SER 32 5.390 -0.704 -15.600 247 H ILE 33 H ILE 33 3.157 -0.359 -10.904 248 HA ILE 33 HA ILE 33 4.066 -2.736 -9.446 249 HB ILE 33 HB ILE 33 3.476 -1.802 -7.298 250 HG12 ILE 33 2HG1 ILE 33 2.845 0.739 -8.819 251 HG13 ILE 33 1HG1 ILE 33 1.680 -0.297 -8.001 252 HG21 ILE 33 1HG2 ILE 33 5.358 -0.073 -8.891 253 HG22 ILE 33 2HG2 ILE 33 5.756 -1.497 -7.928 254 HG23 ILE 33 3HG2 ILE 33 5.217 -0.017 -7.134 255 HD11 ILE 33 3HD1 ILE 33 1.912 1.110 -6.294 256 HD12 ILE 33 1HD1 ILE 33 3.411 1.784 -6.934 257 HD13 ILE 33 2HD1 ILE 33 3.446 0.289 -6.000 258 H ASN 34 H ASN 34 2.135 -3.239 -7.756 259 HA ASN 34 HA ASN 34 -0.227 -3.531 -9.457 260 HB2 ASN 34 2HB ASN 34 1.111 -5.248 -7.631 261 HB3 ASN 34 1HB ASN 34 -0.487 -4.927 -6.966 262 HD21 ASN 34 1HD2 ASN 34 -1.216 -6.998 -7.324 263 HD22 ASN 34 2HD2 ASN 34 -1.556 -7.610 -8.903 264 H THR 35 H THR 35 -1.568 -1.843 -9.264 265 HA THR 35 HA THR 35 -1.846 -0.325 -6.865 266 HB THR 35 HB THR 35 -3.606 0.873 -8.065 267 HG1 THR 35 1HG THR 35 -4.739 -0.351 -9.342 268 HG21 THR 35 3HG2 THR 35 -1.980 0.683 -10.400 269 HG22 THR 35 1HG2 THR 35 -0.957 0.659 -8.963 270 HG23 THR 35 2HG2 THR 35 -2.089 1.987 -9.217 271 H ASP 36 H ASP 36 -3.500 -3.039 -8.280 272 HA ASP 36 HA ASP 36 -5.890 -2.921 -6.791 273 HB2 ASP 36 2HB ASP 36 -4.627 -4.724 -8.636 274 HB3 ASP 36 1HB ASP 36 -5.250 -5.639 -7.269 275 H ASN 37 H ASN 37 -2.787 -4.508 -6.194 276 HA ASN 37 HA ASN 37 -3.646 -5.606 -3.672 277 HB2 ASN 37 2HB ASN 37 -1.013 -5.519 -5.131 278 HB3 ASN 37 1HB ASN 37 -1.131 -6.127 -3.484 279 HD21 ASN 37 1HD2 ASN 37 -0.202 -7.862 -5.190 280 HD22 ASN 37 2HD2 ASN 37 -1.378 -9.045 -5.638 281 H ALA 38 H ALA 38 -1.737 -2.859 -4.776 282 HA ALA 38 HA ALA 38 -0.647 -2.048 -2.341 283 HB1 ALA 38 1HB ALA 38 -0.159 -0.004 -3.368 284 HB2 ALA 38 2HB ALA 38 -1.564 -0.098 -4.430 285 HB3 ALA 38 3HB ALA 38 -0.184 -1.162 -4.698 286 H ASP 39 H ASP 39 -3.752 -1.193 -3.836 287 HA ASP 39 HA ASP 39 -4.614 0.639 -1.907 288 HB2 ASP 39 2HB ASP 39 -5.629 0.035 -4.217 289 HB3 ASP 39 1HB ASP 39 -6.512 -1.206 -3.333 290 H LEU 40 H LEU 40 -4.347 0.048 0.195 291 HA LEU 40 HA LEU 40 -5.293 -2.533 1.122 292 HB2 LEU 40 2HB LEU 40 -4.080 -0.236 2.659 293 HB3 LEU 40 1HB LEU 40 -4.398 -1.838 3.296 294 HG LEU 40 HG LEU 40 -2.392 -1.112 1.163 295 HD11 LEU 40 1HD1 LEU 40 -1.421 -0.570 3.195 296 HD12 LEU 40 2HD1 LEU 40 -0.883 -2.230 2.935 297 HD13 LEU 40 3HD1 LEU 40 -2.214 -1.896 4.043 298 HD21 LEU 40 3HD2 LEU 40 -3.295 -3.217 0.535 299 HD22 LEU 40 1HD2 LEU 40 -3.276 -3.796 2.201 300 HD23 LEU 40 2HD2 LEU 40 -1.760 -3.537 1.339 301 H ASN 41 H ASN 41 -6.400 0.743 0.995 302 HA ASN 41 HA ASN 41 -8.556 0.146 2.893 303 HB2 ASN 41 2HB ASN 41 -8.977 2.554 2.933 304 HB3 ASN 41 1HB ASN 41 -7.288 2.214 3.297 305 HD21 ASN 41 1HD2 ASN 41 -8.035 4.704 2.528 306 HD22 ASN 41 2HD2 ASN 41 -7.435 5.043 0.945 307 H GLU 42 H GLU 42 -7.972 0.075 -0.390 308 HA GLU 42 HA GLU 42 -9.300 -0.122 -2.222 309 HB2 GLU 42 2HB GLU 42 -11.513 -0.476 -0.192 310 HB3 GLU 42 1HB GLU 42 -11.595 -0.908 -1.894 311 HG2 GLU 42 2HG GLU 42 -9.572 -2.100 -0.027 312 HG3 GLU 42 1HG GLU 42 -11.181 -2.785 -0.251 313 H ASP 43 H ASP 43 -8.751 2.489 -1.285 314 HA ASP 43 HA ASP 43 -11.154 4.058 -1.368 315 HB2 ASP 43 2HB ASP 43 -9.630 5.992 -1.359 316 HB3 ASP 43 1HB ASP 43 -9.216 4.835 -0.097 317 H GLY 44 H GLY 44 -9.115 2.654 -3.716 318 HA2 GLY 44 2HA GLY 44 -9.620 2.576 -6.010 319 HA3 GLY 44 1HA GLY 44 -10.609 4.014 -5.820 320 H ARG 45 H ARG 45 -7.513 4.195 -4.373 321 HA ARG 45 HA ARG 45 -6.043 5.065 -6.648 322 HB2 ARG 45 2HB ARG 45 -5.833 7.470 -5.790 323 HB3 ARG 45 1HB ARG 45 -7.310 7.043 -6.644 324 HG2 ARG 45 2HG ARG 45 -8.531 6.885 -4.597 325 HG3 ARG 45 1HG ARG 45 -7.055 7.072 -3.646 326 HD2 ARG 45 2HD ARG 45 -7.365 9.252 -5.512 327 HD3 ARG 45 1HD ARG 45 -8.796 9.088 -4.493 328 HE ARG 45 HE ARG 45 -6.191 9.971 -3.687 329 HH11 ARG 45 1HH1 ARG 45 -9.133 8.442 -2.596 330 HH12 ARG 45 2HH1 ARG 45 -8.915 8.918 -0.945 331 HH21 ARG 45 1HH2 ARG 45 -5.903 10.597 -1.516 332 HH22 ARG 45 2HH2 ARG 45 -7.083 10.141 -0.332 333 H VAL 46 H VAL 46 -3.891 5.116 -6.213 334 HA VAL 46 HA VAL 46 -3.079 4.327 -3.544 335 HB VAL 46 HB VAL 46 -1.332 4.762 -5.969 336 HG11 VAL 46 1HG1 VAL 46 -0.618 2.805 -3.886 337 HG12 VAL 46 2HG1 VAL 46 -0.545 4.500 -3.403 338 HG13 VAL 46 3HG1 VAL 46 0.398 3.934 -4.783 339 HG21 VAL 46 3HG2 VAL 46 -1.852 2.727 -6.772 340 HG22 VAL 46 1HG2 VAL 46 -3.334 2.930 -5.838 341 HG23 VAL 46 2HG2 VAL 46 -1.985 2.014 -5.165 342 H ASN 47 H ASN 47 -3.194 6.076 -2.208 343 HA ASN 47 HA ASN 47 -1.621 8.450 -2.962 344 HB2 ASN 47 2HB ASN 47 -3.006 9.416 -0.921 345 HB3 ASN 47 1HB ASN 47 -3.693 9.354 -2.540 346 HD21 ASN 47 1HD2 ASN 47 -5.089 7.546 -3.044 347 HD22 ASN 47 2HD2 ASN 47 -6.033 6.830 -1.789 348 H SER 48 H SER 48 -1.048 9.654 -0.706 349 HA SER 48 HA SER 48 1.072 8.207 0.397 350 HB2 SER 48 2HB SER 48 -0.308 10.457 1.854 351 HB3 SER 48 1HB SER 48 1.406 10.042 1.846 352 HG SER 48 HG SER 48 1.396 10.639 -0.408 353 H THR 49 H THR 49 -2.288 8.396 1.287 354 HA THR 49 HA THR 49 -2.160 7.465 3.920 355 HB THR 49 HB THR 49 -4.367 6.735 2.005 356 HG1 THR 49 1HG THR 49 -5.230 8.811 2.473 357 HG21 THR 49 3HG2 THR 49 -5.399 6.096 3.850 358 HG22 THR 49 1HG2 THR 49 -5.376 7.775 4.389 359 HG23 THR 49 2HG2 THR 49 -4.073 6.681 4.855 360 H ASP 50 H ASP 50 -2.527 5.667 0.873 361 HA ASP 50 HA ASP 50 -2.666 3.099 1.964 362 HB2 ASP 50 2HB ASP 50 -1.638 4.082 -0.698 363 HB3 ASP 50 1HB ASP 50 -1.753 2.372 -0.298 364 H LEU 51 H LEU 51 0.128 5.037 0.979 365 HA LEU 51 HA LEU 51 2.116 3.112 1.383 366 HB2 LEU 51 2HB LEU 51 2.362 5.374 0.282 367 HB3 LEU 51 1HB LEU 51 2.413 6.070 1.890 368 HG LEU 51 HG LEU 51 4.337 3.888 1.420 369 HD11 LEU 51 1HD1 LEU 51 4.415 4.988 -0.756 370 HD12 LEU 51 2HD1 LEU 51 5.887 5.297 0.167 371 HD13 LEU 51 3HD1 LEU 51 4.650 6.547 0.034 372 HD21 LEU 51 3HD2 LEU 51 5.721 5.180 2.801 373 HD22 LEU 51 1HD2 LEU 51 4.099 5.410 3.456 374 HD23 LEU 51 2HD2 LEU 51 4.832 6.663 2.453 375 H GLY 52 H GLY 52 0.534 5.337 3.609 376 HA2 GLY 52 2HA GLY 52 2.224 4.784 5.838 377 HA3 GLY 52 1HA GLY 52 0.636 5.536 5.903 378 H ILE 53 H ILE 53 -0.644 3.283 4.526 379 HA ILE 53 HA ILE 53 -1.144 1.660 6.851 380 HB ILE 53 HB ILE 53 -2.240 1.346 4.051 381 HG12 ILE 53 2HG1 ILE 53 -3.717 2.592 6.349 382 HG13 ILE 53 1HG1 ILE 53 -2.627 3.566 5.366 383 HG21 ILE 53 1HG2 ILE 53 -3.398 0.354 6.647 384 HG22 ILE 53 2HG2 ILE 53 -2.391 -0.634 5.589 385 HG23 ILE 53 3HG2 ILE 53 -3.938 -0.017 5.010 386 HD11 ILE 53 3HD1 ILE 53 -3.987 2.610 3.378 387 HD12 ILE 53 1HD1 ILE 53 -4.659 3.917 4.352 388 HD13 ILE 53 2HD1 ILE 53 -5.196 2.257 4.612 389 H LEU 54 H LEU 54 0.658 1.387 3.884 390 HA LEU 54 HA LEU 54 0.962 -1.440 3.902 391 HB2 LEU 54 2HB LEU 54 1.355 0.297 1.997 392 HB3 LEU 54 1HB LEU 54 2.965 0.423 2.681 393 HG LEU 54 HG LEU 54 3.006 -1.123 0.835 394 HD11 LEU 54 1HD1 LEU 54 3.083 -2.896 3.242 395 HD12 LEU 54 2HD1 LEU 54 4.246 -1.584 3.055 396 HD13 LEU 54 3HD1 LEU 54 4.156 -2.863 1.843 397 HD21 LEU 54 3HD2 LEU 54 1.298 -3.155 2.087 398 HD22 LEU 54 1HD2 LEU 54 1.453 -2.682 0.395 399 HD23 LEU 54 2HD2 LEU 54 0.446 -1.732 1.489 400 H LYS 55 H LYS 55 3.141 1.212 4.855 401 HA LYS 55 HA LYS 55 5.211 -0.417 5.825 402 HB2 LYS 55 2HB LYS 55 4.464 2.430 6.011 403 HB3 LYS 55 1HB LYS 55 5.475 1.838 7.322 404 HG2 LYS 55 2HG LYS 55 7.019 0.927 5.530 405 HG3 LYS 55 1HG LYS 55 6.084 1.890 4.384 406 HD2 LYS 55 2HD LYS 55 6.548 3.845 6.017 407 HD3 LYS 55 1HD LYS 55 7.829 2.804 6.641 408 HE2 LYS 55 2HE LYS 55 9.114 3.068 4.808 409 HE3 LYS 55 1HE LYS 55 7.733 3.059 3.713 410 HZ1 LYS 55 3HZ LYS 55 7.283 5.372 4.723 411 HZ2 LYS 55 1HZ LYS 55 8.499 5.212 3.557 412 HZ3 LYS 55 2HZ LYS 55 8.906 5.318 5.195 413 H ARG 56 H ARG 56 2.415 1.025 7.450 414 HA ARG 56 HA ARG 56 3.058 0.311 10.073 415 HB2 ARG 56 2HB ARG 56 0.442 0.792 8.669 416 HB3 ARG 56 1HB ARG 56 0.492 0.329 10.365 417 HG2 ARG 56 2HG ARG 56 1.680 2.300 10.953 418 HG3 ARG 56 1HG ARG 56 1.958 2.711 9.259 419 HD2 ARG 56 2HD ARG 56 -0.170 3.475 8.953 420 HD3 ARG 56 1HD ARG 56 -0.852 2.383 10.158 421 HE ARG 56 HE ARG 56 0.151 5.043 10.592 422 HH11 ARG 56 1HH1 ARG 56 -0.534 1.962 12.082 423 HH12 ARG 56 2HH1 ARG 56 -0.690 2.624 13.673 424 HH21 ARG 56 1HH2 ARG 56 -0.052 5.916 12.686 425 HH22 ARG 56 2HH2 ARG 56 -0.417 4.869 14.017 426 H TYR 57 H TYR 57 1.633 -1.542 7.467 427 HA TYR 57 HA TYR 57 0.789 -3.737 9.084 428 HB2 TYR 57 2HB TYR 57 -0.189 -3.266 6.866 429 HB3 TYR 57 1HB TYR 57 1.356 -3.647 6.113 430 HD1 TYR 57 1HD TYR 57 -0.994 -5.237 8.556 431 HD2 TYR 57 2HD TYR 57 1.515 -5.732 5.155 432 HE1 TYR 57 1HE TYR 57 -1.649 -7.603 8.425 433 HE2 TYR 57 2HE TYR 57 0.865 -8.100 5.015 434 HH TYR 57 HH TYR 57 -1.630 -9.396 6.165 435 H ILE 58 H ILE 58 3.724 -2.919 7.345 436 HA ILE 58 HA ILE 58 4.915 -5.518 7.788 437 HB ILE 58 HB ILE 58 6.271 -3.010 6.800 438 HG12 ILE 58 2HG1 ILE 58 4.975 -5.214 5.178 439 HG13 ILE 58 1HG1 ILE 58 4.291 -3.609 5.419 440 HG21 ILE 58 1HG2 ILE 58 6.980 -5.932 6.658 441 HG22 ILE 58 2HG2 ILE 58 7.863 -4.647 7.481 442 HG23 ILE 58 3HG2 ILE 58 7.792 -4.680 5.719 443 HD11 ILE 58 3HD1 ILE 58 5.388 -3.827 3.252 444 HD12 ILE 58 1HD1 ILE 58 6.909 -4.205 4.061 445 HD13 ILE 58 2HD1 ILE 58 6.175 -2.614 4.261 446 H LEU 59 H LEU 59 4.774 -2.465 9.399 447 HA LEU 59 HA LEU 59 7.085 -3.078 11.070 448 HB2 LEU 59 2HB LEU 59 5.257 -0.676 11.036 449 HB3 LEU 59 1HB LEU 59 6.678 -0.848 12.049 450 HG LEU 59 HG LEU 59 6.810 -0.911 9.039 451 HD11 LEU 59 1HD1 LEU 59 7.129 1.437 10.903 452 HD12 LEU 59 2HD1 LEU 59 5.891 1.227 9.664 453 HD13 LEU 59 3HD1 LEU 59 7.579 1.430 9.197 454 HD21 LEU 59 3HD2 LEU 59 9.173 -0.379 9.443 455 HD22 LEU 59 1HD2 LEU 59 8.706 -1.911 10.181 456 HD23 LEU 59 2HD2 LEU 59 8.889 -0.469 11.181 457 H LYS 60 H LYS 60 4.361 -4.489 11.117 458 HA LYS 60 HA LYS 60 2.943 -5.390 12.649 459 HB2 LYS 60 2HB LYS 60 5.292 -4.728 14.426 460 HB3 LYS 60 1HB LYS 60 3.900 -5.654 14.972 461 HG2 LYS 60 2HG LYS 60 4.481 -7.109 12.847 462 HG3 LYS 60 1HG LYS 60 6.083 -6.419 13.114 463 HD2 LYS 60 2HD LYS 60 6.192 -7.319 15.315 464 HD3 LYS 60 1HD LYS 60 4.488 -7.775 15.280 465 HE2 LYS 60 2HE LYS 60 5.008 -9.348 13.427 466 HE3 LYS 60 1HE LYS 60 6.716 -8.954 13.624 467 HZ1 LYS 60 3HZ LYS 60 5.306 -9.788 16.027 468 HZ2 LYS 60 1HZ LYS 60 6.870 -10.167 15.500 469 HZ3 LYS 60 2HZ LYS 60 5.537 -10.985 14.855 470 H GLU 61 H GLU 61 2.708 -2.538 12.082 471 HA GLU 61 HA GLU 61 1.893 -1.365 14.619 472 HB2 GLU 61 2HB GLU 61 1.921 -0.263 11.805 473 HB3 GLU 61 1HB GLU 61 1.382 0.642 13.213 474 HG2 GLU 61 2HG GLU 61 4.040 -0.553 13.486 475 HG3 GLU 61 1HG GLU 61 3.905 0.661 12.215 476 H ILE 62 H ILE 62 0.495 -2.701 11.704 477 HA ILE 62 HA ILE 62 -2.151 -2.547 12.972 478 HB ILE 62 HB ILE 62 -3.135 -2.200 10.673 479 HG12 ILE 62 2HG1 ILE 62 -0.953 -0.764 9.539 480 HG13 ILE 62 1HG1 ILE 62 -0.374 -2.376 9.948 481 HG21 ILE 62 1HG2 ILE 62 -1.552 0.228 11.219 482 HG22 ILE 62 2HG2 ILE 62 -2.466 -0.428 12.577 483 HG23 ILE 62 3HG2 ILE 62 -3.297 0.013 11.086 484 HD11 ILE 62 3HD1 ILE 62 -2.952 -2.085 8.490 485 HD12 ILE 62 1HD1 ILE 62 -1.779 -3.402 8.459 486 HD13 ILE 62 2HD1 ILE 62 -1.431 -1.891 7.620 487 H ASP 63 H ASP 63 -3.134 -4.456 13.056 488 HA ASP 63 HA ASP 63 -2.216 -6.579 11.230 489 HB2 ASP 63 2HB ASP 63 -1.980 -6.596 13.942 490 HB3 ASP 63 1HB ASP 63 -3.531 -7.404 13.737 491 H THR 64 H THR 64 -4.596 -4.543 11.308 492 HA THR 64 HA THR 64 -6.687 -6.548 10.773 493 HB THR 64 HB THR 64 -7.131 -3.689 11.642 494 HG1 THR 64 1HG THR 64 -7.049 -6.085 13.140 495 HG21 THR 64 3HG2 THR 64 -8.903 -5.622 10.599 496 HG22 THR 64 1HG2 THR 64 -9.274 -4.028 11.258 497 HG23 THR 64 2HG2 THR 64 -9.257 -5.438 12.317 498 H LEU 65 H LEU 65 -6.755 -6.795 8.627 499 HA LEU 65 HA LEU 65 -6.922 -4.361 6.978 500 HB2 LEU 65 2HB LEU 65 -5.133 -6.646 6.763 501 HB3 LEU 65 1HB LEU 65 -6.033 -6.376 5.283 502 HG LEU 65 HG LEU 65 -5.185 -4.111 5.123 503 HD11 LEU 65 1HD1 LEU 65 -5.074 -3.500 7.440 504 HD12 LEU 65 2HD1 LEU 65 -3.471 -3.317 6.729 505 HD13 LEU 65 3HD1 LEU 65 -3.831 -4.713 7.746 506 HD21 LEU 65 3HD2 LEU 65 -3.189 -4.717 4.266 507 HD22 LEU 65 1HD2 LEU 65 -3.767 -6.344 4.627 508 HD23 LEU 65 2HD2 LEU 65 -2.677 -5.527 5.748 509 HA PRO 66 HA PRO 66 -7.134 -4.162 4.666 510 HB2 PRO 66 2HB PRO 66 -9.063 -2.878 3.303 511 HB3 PRO 66 1HB PRO 66 -8.391 -4.415 2.744 512 HG2 PRO 66 2HG PRO 66 -10.946 -3.888 4.211 513 HG3 PRO 66 1HG PRO 66 -10.648 -4.968 2.838 514 HD2 PRO 66 2HD PRO 66 -10.798 -5.826 5.427 515 HD3 PRO 66 1HD PRO 66 -9.844 -6.648 4.177 516 H TYR 67 H TYR 67 -7.033 -1.828 4.826 517 HA TYR 67 HA TYR 67 -7.867 -0.873 7.374 518 HB2 TYR 67 2HB TYR 67 -5.758 -0.156 6.355 519 HB3 TYR 67 1HB TYR 67 -6.642 0.612 5.040 520 HD1 TYR 67 1HD TYR 67 -6.385 0.690 8.765 521 HD2 TYR 67 2HD TYR 67 -7.115 2.872 5.187 522 HE1 TYR 67 1HE TYR 67 -6.494 2.774 10.065 523 HE2 TYR 67 2HE TYR 67 -7.226 4.962 6.477 524 HH TYR 67 HH TYR 67 -7.393 5.004 9.900 525 H LYS 68 H LYS 68 -9.926 -0.388 7.778 526 HA LYS 68 HA LYS 68 -11.381 1.235 5.793 527 HB2 LYS 68 2HB LYS 68 -12.065 -1.311 6.691 528 HB3 LYS 68 1HB LYS 68 -13.106 -0.237 7.617 529 HG2 LYS 68 2HG LYS 68 -13.455 0.829 5.195 530 HG3 LYS 68 1HG LYS 68 -13.078 -0.829 4.724 531 HD2 LYS 68 2HD LYS 68 -15.098 -0.269 6.864 532 HD3 LYS 68 1HD LYS 68 -15.545 -0.178 5.159 533 HE2 LYS 68 2HE LYS 68 -15.032 -2.455 4.804 534 HE3 LYS 68 1HE LYS 68 -14.180 -2.581 6.342 535 HZ1 LYS 68 3HZ LYS 68 -17.104 -2.236 5.956 536 HZ2 LYS 68 1HZ LYS 68 -16.330 -2.196 7.460 537 HZ3 LYS 68 2HZ LYS 68 -16.314 -3.614 6.538 538 H ASN 69 H ASN 69 -10.821 3.188 6.758 539 HA ASN 69 HA ASN 69 -11.720 3.600 9.524 540 HB2 ASN 69 2HB ASN 69 -9.344 4.284 8.376 541 HB3 ASN 69 1HB ASN 69 -10.255 5.779 8.181 542 HD21 ASN 69 1HD2 ASN 69 -9.583 3.303 10.631 543 HD22 ASN 69 2HD2 ASN 69 -9.426 4.407 11.950 Start of MODEL 10 1 H1 SER 1 1HT SER 1 0.858 -15.733 -9.175 2 H2 SER 1 2HT SER 1 1.966 -14.450 -9.442 3 H3 SER 1 3HT SER 1 0.310 -14.254 -9.846 4 HA SER 1 HA SER 1 1.240 -14.800 -7.118 5 HB2 SER 1 2HB SER 1 1.166 -12.402 -6.721 6 HB3 SER 1 1HB SER 1 2.278 -12.729 -8.050 7 HG SER 1 HG SER 1 0.721 -12.049 -9.494 8 H THR 2 H THR 2 -0.479 -13.147 -5.851 9 HA THR 2 HA THR 2 -3.163 -13.720 -6.865 10 HB THR 2 HB THR 2 -3.906 -14.747 -4.850 11 HG1 THR 2 1HG THR 2 -1.335 -14.224 -3.774 12 HG21 THR 2 3HG2 THR 2 -2.576 -16.228 -6.362 13 HG22 THR 2 1HG2 THR 2 -2.650 -16.746 -4.678 14 HG23 THR 2 2HG2 THR 2 -1.196 -15.962 -5.295 15 H LYS 3 H LYS 3 -4.855 -12.624 -5.475 16 HA LYS 3 HA LYS 3 -4.148 -9.874 -5.192 17 HB2 LYS 3 2HB LYS 3 -6.522 -11.348 -5.512 18 HB3 LYS 3 1HB LYS 3 -6.686 -10.516 -3.971 19 HG2 LYS 3 2HG LYS 3 -6.593 -8.422 -4.941 20 HG3 LYS 3 1HG LYS 3 -5.779 -9.016 -6.390 21 HD2 LYS 3 2HD LYS 3 -8.448 -10.151 -5.895 22 HD3 LYS 3 1HD LYS 3 -8.422 -8.422 -6.250 23 HE2 LYS 3 2HE LYS 3 -8.061 -8.814 -8.408 24 HE3 LYS 3 1HE LYS 3 -6.670 -9.833 -8.040 25 HZ1 LYS 3 3HZ LYS 3 -7.879 -11.707 -8.233 26 HZ2 LYS 3 1HZ LYS 3 -8.872 -10.739 -9.203 27 HZ3 LYS 3 2HZ LYS 3 -9.284 -11.021 -7.587 28 H LEU 4 H LEU 4 -2.550 -9.837 -3.574 29 HA LEU 4 HA LEU 4 -3.544 -10.362 -0.849 30 HB2 LEU 4 2HB LEU 4 -1.458 -11.602 -1.901 31 HB3 LEU 4 1HB LEU 4 -0.630 -10.127 -1.438 32 HG LEU 4 HG LEU 4 -2.290 -11.401 0.656 33 HD11 LEU 4 1HD1 LEU 4 0.042 -12.743 1.014 34 HD12 LEU 4 2HD1 LEU 4 -0.128 -12.807 -0.740 35 HD13 LEU 4 3HD1 LEU 4 -1.413 -13.433 0.293 36 HD21 LEU 4 3HD2 LEU 4 -0.895 -10.311 2.058 37 HD22 LEU 4 1HD2 LEU 4 -0.577 -9.333 0.625 38 HD23 LEU 4 2HD2 LEU 4 0.529 -10.634 1.067 39 H TYR 5 H TYR 5 -3.725 -8.681 0.485 40 HA TYR 5 HA TYR 5 -3.384 -6.038 -0.365 41 HB2 TYR 5 2HB TYR 5 -3.609 -7.154 2.438 42 HB3 TYR 5 1HB TYR 5 -3.728 -5.444 2.034 43 HD1 TYR 5 2HD TYR 5 -5.677 -4.589 0.814 44 HD2 TYR 5 1HD TYR 5 -5.419 -8.675 1.971 45 HE1 TYR 5 2HE TYR 5 -8.087 -4.850 0.406 46 HE2 TYR 5 1HE TYR 5 -7.828 -8.949 1.566 47 HH TYR 5 HH TYR 5 -9.591 -7.432 -0.143 48 H GLY 6 H GLY 6 -1.554 -4.983 -0.738 49 HA2 GLY 6 2HA GLY 6 0.410 -3.926 0.182 50 HA3 GLY 6 1HA GLY 6 0.693 -5.381 1.127 51 H ASP 7 H ASP 7 0.077 -7.099 -1.220 52 HA ASP 7 HA ASP 7 2.716 -7.374 -2.195 53 HB2 ASP 7 2HB ASP 7 1.145 -9.264 -2.016 54 HB3 ASP 7 1HB ASP 7 0.150 -8.553 -3.282 55 H VAL 8 H VAL 8 3.275 -5.353 -3.091 56 HA VAL 8 HA VAL 8 1.781 -4.349 -5.363 57 HB VAL 8 HB VAL 8 3.512 -2.578 -5.440 58 HG11 VAL 8 1HG1 VAL 8 2.792 -2.612 -2.583 59 HG12 VAL 8 2HG1 VAL 8 1.456 -2.826 -3.715 60 HG13 VAL 8 3HG1 VAL 8 2.481 -1.395 -3.821 61 HG21 VAL 8 3HG2 VAL 8 5.365 -4.006 -4.583 62 HG22 VAL 8 1HG2 VAL 8 4.644 -3.896 -2.977 63 HG23 VAL 8 2HG2 VAL 8 5.236 -2.442 -3.778 64 H ASN 9 H ASN 9 4.725 -6.131 -4.737 65 HA ASN 9 HA ASN 9 5.696 -5.898 -7.440 66 HB2 ASN 9 2HB ASN 9 7.388 -7.594 -6.663 67 HB3 ASN 9 1HB ASN 9 7.350 -6.105 -5.725 68 HD21 ASN 9 1HD2 ASN 9 8.146 -6.923 -3.854 69 HD22 ASN 9 2HD2 ASN 9 7.316 -8.090 -2.886 70 H ASP 10 H ASP 10 3.306 -7.742 -5.977 71 HA ASP 10 HA ASP 10 2.060 -9.516 -6.656 72 HB2 ASP 10 2HB ASP 10 3.491 -9.068 -9.285 73 HB3 ASP 10 1HB ASP 10 2.068 -10.081 -9.062 74 H ASP 11 H ASP 11 3.959 -10.356 -5.110 75 HA ASP 11 HA ASP 11 5.311 -12.574 -6.498 76 HB2 ASP 11 2HB ASP 11 6.871 -12.622 -4.601 77 HB3 ASP 11 1HB ASP 11 6.845 -11.036 -5.366 78 H GLY 12 H GLY 12 2.847 -11.798 -4.264 79 HA2 GLY 12 2HA GLY 12 1.243 -13.431 -3.603 80 HA3 GLY 12 1HA GLY 12 2.497 -14.658 -3.696 81 H LYS 13 H LYS 13 3.387 -11.730 -2.147 82 HA LYS 13 HA LYS 13 2.499 -12.373 0.478 83 HB2 LYS 13 2HB LYS 13 4.834 -12.781 1.387 84 HB3 LYS 13 1HB LYS 13 4.108 -14.105 0.487 85 HG2 LYS 13 2HG LYS 13 5.852 -14.155 -0.869 86 HG3 LYS 13 1HG LYS 13 5.545 -12.484 -1.346 87 HD2 LYS 13 2HD LYS 13 7.770 -12.566 -0.516 88 HD3 LYS 13 1HD LYS 13 6.792 -11.776 0.723 89 HE2 LYS 13 2HE LYS 13 6.723 -13.770 2.038 90 HE3 LYS 13 1HE LYS 13 7.465 -14.712 0.745 91 HZ1 LYS 13 3HZ LYS 13 8.979 -12.419 1.695 92 HZ2 LYS 13 1HZ LYS 13 9.513 -13.961 1.250 93 HZ3 LYS 13 2HZ LYS 13 8.834 -13.708 2.777 94 H VAL 14 H VAL 14 3.274 -10.852 2.084 95 HA VAL 14 HA VAL 14 3.925 -8.282 0.861 96 HB VAL 14 HB VAL 14 3.178 -8.826 3.735 97 HG11 VAL 14 1HG1 VAL 14 3.731 -6.411 2.134 98 HG12 VAL 14 2HG1 VAL 14 3.939 -6.703 3.860 99 HG13 VAL 14 3HG1 VAL 14 2.342 -6.326 3.217 100 HG21 VAL 14 3HG2 VAL 14 1.222 -9.481 2.793 101 HG22 VAL 14 1HG2 VAL 14 1.521 -8.601 1.294 102 HG23 VAL 14 2HG2 VAL 14 0.954 -7.739 2.724 103 H ASN 15 H ASN 15 6.080 -8.114 0.553 104 HA ASN 15 HA ASN 15 7.848 -8.719 2.828 105 HB2 ASN 15 2HB ASN 15 8.110 -9.789 0.429 106 HB3 ASN 15 1HB ASN 15 8.902 -8.258 0.067 107 HD21 ASN 15 1HD2 ASN 15 10.138 -10.789 0.018 108 HD22 ASN 15 2HD2 ASN 15 11.368 -10.803 1.232 109 H SER 16 H SER 16 9.863 -7.298 2.865 110 HA SER 16 HA SER 16 9.108 -4.641 3.334 111 HB2 SER 16 2HB SER 16 11.023 -5.570 4.472 112 HB3 SER 16 1HB SER 16 11.848 -5.866 2.941 113 HG SER 16 HG SER 16 11.066 -3.277 3.776 114 H THR 17 H THR 17 10.368 -6.222 0.490 115 HA THR 17 HA THR 17 11.251 -4.002 -0.957 116 HB THR 17 HB THR 17 9.965 -6.529 -2.011 117 HG1 THR 17 1HG THR 17 12.711 -5.937 -1.647 118 HG21 THR 17 3HG2 THR 17 11.969 -5.700 -3.746 119 HG22 THR 17 1HG2 THR 17 11.042 -4.244 -3.385 120 HG23 THR 17 2HG2 THR 17 10.228 -5.670 -4.030 121 H ASP 18 H ASP 18 8.038 -5.168 -0.302 122 HA ASP 18 HA ASP 18 6.660 -3.838 -2.366 123 HB2 ASP 18 2HB ASP 18 5.667 -4.555 0.401 124 HB3 ASP 18 1HB ASP 18 4.658 -4.161 -0.988 125 H ALA 19 H ALA 19 7.601 -2.839 0.887 126 HA ALA 19 HA ALA 19 6.196 -0.404 0.954 127 HB1 ALA 19 1HB ALA 19 7.654 -1.779 2.756 128 HB2 ALA 19 2HB ALA 19 7.177 -0.094 2.961 129 HB3 ALA 19 3HB ALA 19 8.787 -0.487 2.356 130 H VAL 20 H VAL 20 9.622 -1.034 0.179 131 HA VAL 20 HA VAL 20 10.300 1.590 -0.504 132 HB VAL 20 HB VAL 20 11.975 -0.162 -0.117 133 HG11 VAL 20 1HG1 VAL 20 10.998 -1.260 -2.748 134 HG12 VAL 20 2HG1 VAL 20 10.931 -2.047 -1.172 135 HG13 VAL 20 3HG1 VAL 20 12.488 -1.761 -1.949 136 HG21 VAL 20 3HG2 VAL 20 12.595 0.604 -2.896 137 HG22 VAL 20 1HG2 VAL 20 13.522 0.847 -1.416 138 HG23 VAL 20 2HG2 VAL 20 12.180 1.924 -1.803 139 H ALA 21 H ALA 21 8.818 -0.973 -2.393 140 HA ALA 21 HA ALA 21 9.094 0.284 -4.925 141 HB1 ALA 21 1HB ALA 21 8.443 -1.735 -5.572 142 HB2 ALA 21 2HB ALA 21 6.824 -1.403 -4.956 143 HB3 ALA 21 3HB ALA 21 8.028 -2.155 -3.911 144 H LEU 22 H LEU 22 6.544 0.260 -2.479 145 HA LEU 22 HA LEU 22 4.662 1.727 -4.021 146 HB2 LEU 22 2HB LEU 22 4.168 0.274 -2.016 147 HB3 LEU 22 1HB LEU 22 4.804 1.566 -1.016 148 HG LEU 22 HG LEU 22 3.047 3.069 -1.775 149 HD11 LEU 22 1HD1 LEU 22 2.391 2.629 -3.895 150 HD12 LEU 22 2HD1 LEU 22 1.143 1.702 -3.061 151 HD13 LEU 22 3HD1 LEU 22 2.567 0.884 -3.705 152 HD21 LEU 22 3HD2 LEU 22 1.709 0.491 -1.024 153 HD22 LEU 22 1HD2 LEU 22 1.280 2.137 -0.560 154 HD23 LEU 22 2HD2 LEU 22 2.721 1.379 0.115 155 H LYS 23 H LYS 23 7.284 2.610 -1.891 156 HA LYS 23 HA LYS 23 6.555 5.302 -1.453 157 HB2 LYS 23 2HB LYS 23 9.077 3.722 -1.220 158 HB3 LYS 23 1HB LYS 23 9.182 5.476 -1.173 159 HG2 LYS 23 2HG LYS 23 7.454 5.406 0.665 160 HG3 LYS 23 1HG LYS 23 7.707 3.660 0.710 161 HD2 LYS 23 2HD LYS 23 9.934 3.890 1.409 162 HD3 LYS 23 1HD LYS 23 9.998 5.588 0.934 163 HE2 LYS 23 2HE LYS 23 8.045 4.740 3.020 164 HE3 LYS 23 1HE LYS 23 9.745 4.894 3.457 165 HZ1 LYS 23 3HZ LYS 23 9.459 7.186 2.246 166 HZ2 LYS 23 1HZ LYS 23 9.021 6.997 3.870 167 HZ3 LYS 23 2HZ LYS 23 7.835 6.967 2.664 168 H ARG 24 H ARG 24 8.455 3.721 -3.972 169 HA ARG 24 HA ARG 24 9.374 6.081 -5.227 170 HB2 ARG 24 2HB ARG 24 8.884 3.433 -6.588 171 HB3 ARG 24 1HB ARG 24 10.038 4.679 -7.045 172 HG2 ARG 24 2HG ARG 24 10.596 3.899 -4.373 173 HG3 ARG 24 1HG ARG 24 10.425 2.442 -5.354 174 HD2 ARG 24 2HD ARG 24 12.268 2.897 -6.591 175 HD3 ARG 24 1HD ARG 24 12.007 4.639 -6.534 176 HE ARG 24 HE ARG 24 12.791 3.537 -4.008 177 HH11 ARG 24 1HH1 ARG 24 13.962 4.725 -7.072 178 HH12 ARG 24 2HH1 ARG 24 15.522 5.150 -6.454 179 HH21 ARG 24 1HH2 ARG 24 14.844 4.094 -3.192 180 HH22 ARG 24 2HH2 ARG 24 16.024 4.791 -4.251 181 H TYR 25 H TYR 25 6.511 4.066 -5.713 182 HA TYR 25 HA TYR 25 5.546 5.279 -8.040 183 HB2 TYR 25 2HB TYR 25 4.708 3.148 -6.974 184 HB3 TYR 25 1HB TYR 25 3.837 4.152 -5.820 185 HD1 TYR 25 1HD TYR 25 1.962 5.569 -6.581 186 HD2 TYR 25 2HD TYR 25 3.925 2.870 -9.220 187 HE1 TYR 25 1HE TYR 25 0.075 5.739 -8.149 188 HE2 TYR 25 2HE TYR 25 2.045 3.033 -10.795 189 HH TYR 25 HH TYR 25 0.070 5.179 -11.088 190 H VAL 26 H VAL 26 4.591 5.907 -4.660 191 HA VAL 26 HA VAL 26 2.949 8.118 -5.241 192 HB VAL 26 HB VAL 26 4.424 7.636 -2.652 193 HG11 VAL 26 1HG1 VAL 26 2.494 8.798 -1.662 194 HG12 VAL 26 2HG1 VAL 26 1.853 9.083 -3.281 195 HG13 VAL 26 3HG1 VAL 26 3.380 9.818 -2.795 196 HG21 VAL 26 3HG2 VAL 26 3.358 5.623 -2.849 197 HG22 VAL 26 1HG2 VAL 26 2.073 6.275 -3.864 198 HG23 VAL 26 2HG2 VAL 26 2.063 6.577 -2.126 199 H LEU 27 H LEU 27 6.352 7.815 -5.189 200 HA LEU 27 HA LEU 27 6.800 10.654 -4.709 201 HB2 LEU 27 2HB LEU 27 8.272 8.790 -3.793 202 HB3 LEU 27 1HB LEU 27 8.866 8.589 -5.431 203 HG LEU 27 HG LEU 27 9.351 11.182 -5.213 204 HD11 LEU 27 1HD1 LEU 27 8.308 10.853 -2.770 205 HD12 LEU 27 2HD1 LEU 27 9.550 12.050 -3.138 206 HD13 LEU 27 3HD1 LEU 27 10.000 10.507 -2.414 207 HD21 LEU 27 3HD2 LEU 27 11.620 10.567 -4.319 208 HD22 LEU 27 1HD2 LEU 27 11.076 9.626 -5.708 209 HD23 LEU 27 2HD2 LEU 27 11.004 8.931 -4.088 210 H ARG 28 H ARG 28 5.433 9.507 -7.164 211 HA ARG 28 HA ARG 28 5.451 9.711 -9.438 212 HB2 ARG 28 2HB ARG 28 5.872 11.958 -10.217 213 HB3 ARG 28 1HB ARG 28 5.069 12.026 -8.655 214 HG2 ARG 28 2HG ARG 28 7.126 12.575 -7.554 215 HG3 ARG 28 1HG ARG 28 8.040 12.323 -9.043 216 HD2 ARG 28 2HD ARG 28 6.527 14.151 -10.032 217 HD3 ARG 28 1HD ARG 28 6.121 14.526 -8.358 218 HE ARG 28 HE ARG 28 8.201 15.455 -8.091 219 HH11 ARG 28 1HH1 ARG 28 8.150 13.604 -11.051 220 HH12 ARG 28 2HH1 ARG 28 9.693 14.180 -11.584 221 HH21 ARG 28 1HH2 ARG 28 10.231 16.212 -8.792 222 HH22 ARG 28 2HH2 ARG 28 10.875 15.659 -10.302 223 H SER 29 H SER 29 7.652 8.206 -8.516 224 HA SER 29 HA SER 29 10.050 9.084 -9.817 225 HB2 SER 29 2HB SER 29 9.561 7.301 -7.831 226 HB3 SER 29 1HB SER 29 9.754 6.207 -9.201 227 HG SER 29 HG SER 29 11.625 7.657 -7.861 228 H GLY 30 H GLY 30 7.317 7.081 -10.666 229 HA2 GLY 30 2HA GLY 30 6.687 6.774 -12.949 230 HA3 GLY 30 1HA GLY 30 8.380 6.907 -13.397 231 H ILE 31 H ILE 31 7.244 4.931 -10.741 232 HA ILE 31 HA ILE 31 8.228 2.563 -12.160 233 HB ILE 31 HB ILE 31 9.203 3.008 -9.952 234 HG12 ILE 31 2HG1 ILE 31 7.463 0.588 -9.602 235 HG13 ILE 31 1HG1 ILE 31 8.647 0.639 -10.904 236 HG21 ILE 31 1HG2 ILE 31 7.694 2.577 -7.946 237 HG22 ILE 31 2HG2 ILE 31 6.345 2.845 -9.051 238 HG23 ILE 31 3HG2 ILE 31 7.521 4.129 -8.766 239 HD11 ILE 31 3HD1 ILE 31 9.727 -0.442 -9.143 240 HD12 ILE 31 1HD1 ILE 31 9.115 0.701 -7.948 241 HD13 ILE 31 2HD1 ILE 31 10.351 1.206 -9.100 242 H SER 32 H SER 32 6.997 0.707 -12.398 243 HA SER 32 HA SER 32 4.106 1.119 -12.171 244 HB2 SER 32 2HB SER 32 5.546 0.240 -14.287 245 HB3 SER 32 1HB SER 32 5.136 -1.300 -13.533 246 HG SER 32 HG SER 32 3.454 -0.860 -14.853 247 H ILE 33 H ILE 33 3.039 0.227 -10.544 248 HA ILE 33 HA ILE 33 4.041 -2.299 -9.409 249 HB ILE 33 HB ILE 33 3.479 -1.584 -7.173 250 HG12 ILE 33 2HG1 ILE 33 2.693 1.063 -8.420 251 HG13 ILE 33 1HG1 ILE 33 1.580 -0.119 -7.739 252 HG21 ILE 33 1HG2 ILE 33 5.661 -1.031 -7.402 253 HG22 ILE 33 2HG2 ILE 33 5.022 0.599 -7.191 254 HG23 ILE 33 3HG2 ILE 33 5.369 -0.008 -8.809 255 HD11 ILE 33 3HD1 ILE 33 3.144 0.239 -5.616 256 HD12 ILE 33 1HD1 ILE 33 1.744 1.256 -5.959 257 HD13 ILE 33 2HD1 ILE 33 3.362 1.808 -6.391 258 H ASN 34 H ASN 34 2.188 -3.039 -7.719 259 HA ASN 34 HA ASN 34 -0.174 -3.390 -9.391 260 HB2 ASN 34 2HB ASN 34 1.240 -5.128 -7.789 261 HB3 ASN 34 1HB ASN 34 -0.155 -4.740 -6.786 262 HD21 ASN 34 1HD2 ASN 34 -1.746 -6.117 -7.009 263 HD22 ASN 34 2HD2 ASN 34 -2.178 -6.962 -8.452 264 H THR 35 H THR 35 -1.650 -1.829 -9.201 265 HA THR 35 HA THR 35 -2.008 -0.334 -6.778 266 HB THR 35 HB THR 35 -3.779 0.830 -8.005 267 HG1 THR 35 1HG THR 35 -4.641 -0.916 -9.154 268 HG21 THR 35 3HG2 THR 35 -2.054 0.772 -10.278 269 HG22 THR 35 1HG2 THR 35 -1.091 0.756 -8.800 270 HG23 THR 35 2HG2 THR 35 -2.271 2.039 -9.071 271 H ASP 36 H ASP 36 -3.518 -3.070 -8.306 272 HA ASP 36 HA ASP 36 -5.959 -3.069 -6.898 273 HB2 ASP 36 2HB ASP 36 -4.525 -4.833 -8.687 274 HB3 ASP 36 1HB ASP 36 -5.278 -5.750 -7.387 275 H ASN 37 H ASN 37 -2.822 -4.554 -6.220 276 HA ASN 37 HA ASN 37 -3.751 -5.669 -3.716 277 HB2 ASN 37 2HB ASN 37 -1.111 -5.670 -5.163 278 HB3 ASN 37 1HB ASN 37 -1.243 -6.245 -3.504 279 HD21 ASN 37 1HD2 ASN 37 -0.357 -8.043 -5.147 280 HD22 ASN 37 2HD2 ASN 37 -1.562 -9.201 -5.587 281 H ALA 38 H ALA 38 -1.815 -2.956 -4.826 282 HA ALA 38 HA ALA 38 -0.676 -2.160 -2.411 283 HB1 ALA 38 1HB ALA 38 -1.349 -0.790 -4.959 284 HB2 ALA 38 2HB ALA 38 0.211 -1.001 -4.163 285 HB3 ALA 38 3HB ALA 38 -0.929 0.205 -3.565 286 H ASP 39 H ASP 39 -3.867 -1.488 -3.761 287 HA ASP 39 HA ASP 39 -4.675 0.438 -1.879 288 HB2 ASP 39 2HB ASP 39 -5.780 -0.292 -4.119 289 HB3 ASP 39 1HB ASP 39 -6.600 -1.497 -3.133 290 H LEU 40 H LEU 40 -4.302 -0.065 0.227 291 HA LEU 40 HA LEU 40 -5.159 -2.629 1.291 292 HB2 LEU 40 2HB LEU 40 -3.997 -0.305 2.815 293 HB3 LEU 40 1HB LEU 40 -4.071 -1.983 3.318 294 HG LEU 40 HG LEU 40 -2.350 -0.839 1.118 295 HD11 LEU 40 1HD1 LEU 40 -0.527 -1.182 2.515 296 HD12 LEU 40 2HD1 LEU 40 -1.417 -2.274 3.574 297 HD13 LEU 40 3HD1 LEU 40 -1.755 -0.544 3.608 298 HD21 LEU 40 3HD2 LEU 40 -3.321 -3.148 0.694 299 HD22 LEU 40 1HD2 LEU 40 -2.368 -3.688 2.076 300 HD23 LEU 40 2HD2 LEU 40 -1.563 -3.009 0.661 301 H ASN 41 H ASN 41 -6.273 0.649 1.132 302 HA ASN 41 HA ASN 41 -8.328 0.119 3.154 303 HB2 ASN 41 2HB ASN 41 -8.763 2.526 3.100 304 HB3 ASN 41 1HB ASN 41 -7.056 2.207 3.394 305 HD21 ASN 41 1HD2 ASN 41 -7.261 4.590 2.678 306 HD22 ASN 41 2HD2 ASN 41 -6.972 4.878 1.000 307 H GLU 42 H GLU 42 -7.921 -0.059 -0.164 308 HA GLU 42 HA GLU 42 -9.350 -0.349 -1.906 309 HB2 GLU 42 2HB GLU 42 -11.386 -0.678 0.304 310 HB3 GLU 42 1HB GLU 42 -11.665 -1.069 -1.387 311 HG2 GLU 42 2HG GLU 42 -9.313 -2.411 -0.628 312 HG3 GLU 42 1HG GLU 42 -10.484 -2.661 0.667 313 H ASP 43 H ASP 43 -8.758 2.288 -1.142 314 HA ASP 43 HA ASP 43 -11.162 3.859 -1.120 315 HB2 ASP 43 2HB ASP 43 -9.643 5.785 -1.310 316 HB3 ASP 43 1HB ASP 43 -9.122 4.679 -0.041 317 H GLY 44 H GLY 44 -9.300 2.343 -3.548 318 HA2 GLY 44 2HA GLY 44 -10.237 2.178 -5.762 319 HA3 GLY 44 1HA GLY 44 -10.816 3.827 -5.591 320 H ARG 45 H ARG 45 -7.952 4.271 -4.337 321 HA ARG 45 HA ARG 45 -6.311 4.113 -6.718 322 HB2 ARG 45 2HB ARG 45 -5.811 6.658 -6.430 323 HB3 ARG 45 1HB ARG 45 -7.210 6.143 -7.358 324 HG2 ARG 45 2HG ARG 45 -8.480 6.398 -5.110 325 HG3 ARG 45 1HG ARG 45 -7.094 7.386 -4.647 326 HD2 ARG 45 2HD ARG 45 -7.902 9.110 -5.788 327 HD3 ARG 45 1HD ARG 45 -7.947 8.147 -7.264 328 HE ARG 45 HE ARG 45 -10.157 8.755 -5.505 329 HH11 ARG 45 1HH1 ARG 45 -8.962 6.679 -8.047 330 HH12 ARG 45 2HH1 ARG 45 -10.542 6.201 -8.569 331 HH21 ARG 45 1HH2 ARG 45 -12.234 8.123 -6.192 332 HH22 ARG 45 2HH2 ARG 45 -12.398 7.020 -7.517 333 H VAL 46 H VAL 46 -4.103 4.432 -6.328 334 HA VAL 46 HA VAL 46 -3.321 3.944 -3.589 335 HB VAL 46 HB VAL 46 -1.519 4.265 -5.989 336 HG11 VAL 46 1HG1 VAL 46 -1.145 3.466 -3.173 337 HG12 VAL 46 2HG1 VAL 46 -0.026 4.241 -4.292 338 HG13 VAL 46 3HG1 VAL 46 -0.293 2.499 -4.377 339 HG21 VAL 46 3HG2 VAL 46 -3.309 2.520 -6.276 340 HG22 VAL 46 1HG2 VAL 46 -2.602 1.676 -4.899 341 HG23 VAL 46 2HG2 VAL 46 -1.652 1.923 -6.363 342 H ASN 47 H ASN 47 -3.426 5.741 -2.352 343 HA ASN 47 HA ASN 47 -2.030 8.150 -3.314 344 HB2 ASN 47 2HB ASN 47 -3.377 9.214 -1.344 345 HB3 ASN 47 1HB ASN 47 -4.191 8.875 -2.867 346 HD21 ASN 47 1HD2 ASN 47 -6.214 8.541 -2.156 347 HD22 ASN 47 2HD2 ASN 47 -6.674 7.288 -1.059 348 H SER 48 H SER 48 -1.411 9.524 -1.186 349 HA SER 48 HA SER 48 0.841 8.297 -0.108 350 HB2 SER 48 2HB SER 48 -0.768 10.667 0.855 351 HB3 SER 48 1HB SER 48 0.758 10.179 1.592 352 HG SER 48 HG SER 48 1.630 11.337 0.078 353 H THR 49 H THR 49 -2.470 8.323 0.994 354 HA THR 49 HA THR 49 -2.088 7.504 3.646 355 HB THR 49 HB THR 49 -4.411 6.603 1.957 356 HG1 THR 49 1HG THR 49 -5.234 8.593 1.988 357 HG21 THR 49 3HG2 THR 49 -3.879 6.679 4.761 358 HG22 THR 49 1HG2 THR 49 -5.283 6.044 3.904 359 HG23 THR 49 2HG2 THR 49 -5.234 7.741 4.380 360 H ASP 50 H ASP 50 -2.593 5.589 0.693 361 HA ASP 50 HA ASP 50 -2.568 3.056 1.860 362 HB2 ASP 50 2HB ASP 50 -1.760 4.013 -0.883 363 HB3 ASP 50 1HB ASP 50 -1.728 2.310 -0.439 364 H LEU 51 H LEU 51 0.094 5.085 0.728 365 HA LEU 51 HA LEU 51 2.177 3.245 0.999 366 HB2 LEU 51 2HB LEU 51 2.222 5.573 -0.044 367 HB3 LEU 51 1HB LEU 51 2.421 6.188 1.585 368 HG LEU 51 HG LEU 51 4.315 4.192 0.361 369 HD11 LEU 51 1HD1 LEU 51 5.766 6.385 0.275 370 HD12 LEU 51 2HD1 LEU 51 4.187 7.152 0.104 371 HD13 LEU 51 3HD1 LEU 51 4.707 5.936 -1.062 372 HD21 LEU 51 3HD2 LEU 51 5.748 5.532 2.161 373 HD22 LEU 51 1HD2 LEU 51 4.795 4.108 2.579 374 HD23 LEU 51 2HD2 LEU 51 4.155 5.721 2.894 375 H GLY 52 H GLY 52 0.673 5.397 3.360 376 HA2 GLY 52 2HA GLY 52 2.517 4.786 5.460 377 HA3 GLY 52 1HA GLY 52 0.968 5.600 5.639 378 H ILE 53 H ILE 53 -0.605 3.498 4.461 379 HA ILE 53 HA ILE 53 -1.080 1.933 6.769 380 HB ILE 53 HB ILE 53 -2.066 1.414 3.959 381 HG12 ILE 53 2HG1 ILE 53 -3.742 2.766 6.017 382 HG13 ILE 53 1HG1 ILE 53 -2.481 3.720 5.243 383 HG21 ILE 53 1HG2 ILE 53 -3.237 0.589 6.613 384 HG22 ILE 53 2HG2 ILE 53 -2.325 -0.468 5.535 385 HG23 ILE 53 3HG2 ILE 53 -3.870 0.202 5.014 386 HD11 ILE 53 3HD1 ILE 53 -5.061 3.043 4.272 387 HD12 ILE 53 1HD1 ILE 53 -3.850 2.331 3.205 388 HD13 ILE 53 2HD1 ILE 53 -3.828 4.064 3.530 389 H LEU 54 H LEU 54 0.448 1.203 3.652 390 HA LEU 54 HA LEU 54 0.875 -1.541 4.127 391 HB2 LEU 54 2HB LEU 54 1.195 0.086 1.992 392 HB3 LEU 54 1HB LEU 54 2.866 -0.102 2.486 393 HG LEU 54 HG LEU 54 1.033 -2.434 1.953 394 HD11 LEU 54 1HD1 LEU 54 1.194 -1.281 -0.113 395 HD12 LEU 54 2HD1 LEU 54 2.338 -2.622 -0.185 396 HD13 LEU 54 3HD1 LEU 54 2.918 -0.983 0.112 397 HD21 LEU 54 3HD2 LEU 54 3.964 -2.115 2.489 398 HD22 LEU 54 1HD2 LEU 54 3.340 -3.518 1.622 399 HD23 LEU 54 2HD2 LEU 54 2.801 -3.189 3.268 400 H LYS 55 H LYS 55 2.762 1.325 4.898 401 HA LYS 55 HA LYS 55 5.117 -0.031 5.701 402 HB2 LYS 55 2HB LYS 55 4.435 2.586 5.295 403 HB3 LYS 55 1HB LYS 55 4.541 2.519 7.049 404 HG2 LYS 55 2HG LYS 55 6.805 1.820 6.972 405 HG3 LYS 55 1HG LYS 55 6.724 1.533 5.233 406 HD2 LYS 55 2HD LYS 55 7.760 3.577 5.262 407 HD3 LYS 55 1HD LYS 55 6.070 4.083 5.180 408 HE2 LYS 55 2HE LYS 55 6.064 4.306 7.645 409 HE3 LYS 55 1HE LYS 55 7.781 3.905 7.658 410 HZ1 LYS 55 3HZ LYS 55 6.456 6.368 6.860 411 HZ2 LYS 55 1HZ LYS 55 7.779 5.899 5.916 412 HZ3 LYS 55 2HZ LYS 55 7.968 6.137 7.580 413 H ARG 56 H ARG 56 2.250 1.079 7.444 414 HA ARG 56 HA ARG 56 3.144 0.519 10.044 415 HB2 ARG 56 2HB ARG 56 0.421 0.741 8.797 416 HB3 ARG 56 1HB ARG 56 0.599 0.279 10.484 417 HG2 ARG 56 2HG ARG 56 1.897 2.374 10.850 418 HG3 ARG 56 1HG ARG 56 1.499 2.844 9.195 419 HD2 ARG 56 2HD ARG 56 -0.606 2.123 11.217 420 HD3 ARG 56 1HD ARG 56 0.016 3.764 11.049 421 HE ARG 56 HE ARG 56 -0.706 3.128 8.525 422 HH11 ARG 56 1HH1 ARG 56 -2.376 2.966 11.586 423 HH12 ARG 56 2HH1 ARG 56 -3.940 3.228 10.888 424 HH21 ARG 56 1HH2 ARG 56 -2.762 3.472 7.607 425 HH22 ARG 56 2HH2 ARG 56 -4.159 3.514 8.630 426 H TYR 57 H TYR 57 1.393 -1.484 7.702 427 HA TYR 57 HA TYR 57 0.939 -3.702 9.338 428 HB2 TYR 57 2HB TYR 57 -0.088 -3.347 7.101 429 HB3 TYR 57 1HB TYR 57 1.466 -3.715 6.360 430 HD1 TYR 57 2HD TYR 57 -1.278 -5.137 8.400 431 HD2 TYR 57 1HD TYR 57 2.154 -5.953 6.022 432 HE1 TYR 57 2HE TYR 57 -1.851 -7.528 8.403 433 HE2 TYR 57 1HE TYR 57 1.590 -8.347 6.018 434 HH TYR 57 HH TYR 57 -1.017 -9.623 6.439 435 H ILE 58 H ILE 58 3.762 -2.766 7.459 436 HA ILE 58 HA ILE 58 5.159 -5.230 7.825 437 HB ILE 58 HB ILE 58 6.337 -2.532 7.156 438 HG12 ILE 58 2HG1 ILE 58 5.676 -4.609 5.103 439 HG13 ILE 58 1HG1 ILE 58 4.400 -3.544 5.683 440 HG21 ILE 58 1HG2 ILE 58 8.195 -3.778 7.523 441 HG22 ILE 58 2HG2 ILE 58 7.876 -4.291 5.867 442 HG23 ILE 58 3HG2 ILE 58 7.367 -5.305 7.217 443 HD11 ILE 58 3HD1 ILE 58 6.551 -1.869 5.094 444 HD12 ILE 58 1HD1 ILE 58 5.058 -2.068 4.176 445 HD13 ILE 58 2HD1 ILE 58 6.477 -3.036 3.774 446 H LEU 59 H LEU 59 4.849 -2.282 9.657 447 HA LEU 59 HA LEU 59 7.034 -3.058 11.437 448 HB2 LEU 59 2HB LEU 59 5.651 -0.560 10.776 449 HB3 LEU 59 1HB LEU 59 5.966 -0.760 12.490 450 HG LEU 59 HG LEU 59 8.397 -1.284 11.751 451 HD11 LEU 59 1HD1 LEU 59 8.503 -1.432 9.497 452 HD12 LEU 59 2HD1 LEU 59 8.737 0.311 9.635 453 HD13 LEU 59 3HD1 LEU 59 7.143 -0.336 9.249 454 HD21 LEU 59 3HD2 LEU 59 8.898 1.167 11.678 455 HD22 LEU 59 1HD2 LEU 59 7.884 0.663 13.031 456 HD23 LEU 59 2HD2 LEU 59 7.159 1.460 11.635 457 H LYS 60 H LYS 60 4.376 -4.452 11.259 458 HA LYS 60 HA LYS 60 2.801 -5.359 12.631 459 HB2 LYS 60 2HB LYS 60 5.144 -4.888 14.431 460 HB3 LYS 60 1HB LYS 60 3.638 -5.481 15.117 461 HG2 LYS 60 2HG LYS 60 4.059 -7.542 14.424 462 HG3 LYS 60 1HG LYS 60 4.330 -6.991 12.770 463 HD2 LYS 60 2HD LYS 60 6.640 -6.278 13.537 464 HD3 LYS 60 1HD LYS 60 6.324 -7.188 15.016 465 HE2 LYS 60 2HE LYS 60 6.192 -8.341 12.234 466 HE3 LYS 60 1HE LYS 60 7.588 -8.469 13.302 467 HZ1 LYS 60 3HZ LYS 60 5.674 -10.299 13.178 468 HZ2 LYS 60 1HZ LYS 60 5.044 -9.329 14.414 469 HZ3 LYS 60 2HZ LYS 60 6.583 -10.013 14.575 470 H GLU 61 H GLU 61 2.702 -2.450 12.167 471 HA GLU 61 HA GLU 61 1.738 -1.309 14.641 472 HB2 GLU 61 2HB GLU 61 1.967 -0.294 11.818 473 HB3 GLU 61 1HB GLU 61 1.108 0.618 13.052 474 HG2 GLU 61 2HG GLU 61 3.113 0.761 14.392 475 HG3 GLU 61 1HG GLU 61 3.986 -0.243 13.235 476 H ILE 62 H ILE 62 0.412 -2.770 11.764 477 HA ILE 62 HA ILE 62 -2.259 -2.598 12.974 478 HB ILE 62 HB ILE 62 -3.178 -2.398 10.606 479 HG12 ILE 62 2HG1 ILE 62 -0.353 -1.438 10.089 480 HG13 ILE 62 1HG1 ILE 62 -1.073 -2.904 9.430 481 HG21 ILE 62 1HG2 ILE 62 -1.672 -0.079 11.809 482 HG22 ILE 62 2HG2 ILE 62 -3.313 -0.588 12.209 483 HG23 ILE 62 3HG2 ILE 62 -2.954 0.052 10.605 484 HD11 ILE 62 3HD1 ILE 62 -1.575 -0.061 8.721 485 HD12 ILE 62 1HD1 ILE 62 -2.854 -1.251 8.485 486 HD13 ILE 62 2HD1 ILE 62 -1.300 -1.455 7.676 487 H ASP 63 H ASP 63 -3.375 -4.459 12.955 488 HA ASP 63 HA ASP 63 -2.322 -6.673 11.320 489 HB2 ASP 63 2HB ASP 63 -2.867 -6.501 14.194 490 HB3 ASP 63 1HB ASP 63 -3.599 -7.907 13.425 491 H THR 64 H THR 64 -4.690 -4.627 11.179 492 HA THR 64 HA THR 64 -6.731 -6.653 10.545 493 HB THR 64 HB THR 64 -7.339 -5.275 12.518 494 HG1 THR 64 1HG THR 64 -8.879 -4.912 10.170 495 HG21 THR 64 3HG2 THR 64 -7.585 -2.946 10.647 496 HG22 THR 64 1HG2 THR 64 -6.196 -3.179 11.708 497 HG23 THR 64 2HG2 THR 64 -7.808 -2.978 12.396 498 H LEU 65 H LEU 65 -7.007 -6.811 8.427 499 HA LEU 65 HA LEU 65 -6.997 -4.351 6.821 500 HB2 LEU 65 2HB LEU 65 -5.239 -6.667 6.585 501 HB3 LEU 65 1HB LEU 65 -6.081 -6.309 5.089 502 HG LEU 65 HG LEU 65 -5.170 -4.073 5.042 503 HD11 LEU 65 1HD1 LEU 65 -3.327 -3.637 6.850 504 HD12 LEU 65 2HD1 LEU 65 -4.295 -4.759 7.806 505 HD13 LEU 65 3HD1 LEU 65 -5.020 -3.275 7.186 506 HD21 LEU 65 3HD2 LEU 65 -3.148 -4.694 4.262 507 HD22 LEU 65 1HD2 LEU 65 -3.767 -6.319 4.551 508 HD23 LEU 65 2HD2 LEU 65 -2.719 -5.550 5.742 509 HA PRO 66 HA PRO 66 -7.172 -4.055 4.535 510 HB2 PRO 66 2HB PRO 66 -9.066 -2.718 3.178 511 HB3 PRO 66 1HB PRO 66 -8.391 -4.238 2.579 512 HG2 PRO 66 2HG PRO 66 -10.970 -3.752 4.020 513 HG3 PRO 66 1HG PRO 66 -10.654 -4.777 2.608 514 HD2 PRO 66 2HD PRO 66 -10.853 -5.742 5.154 515 HD3 PRO 66 1HD PRO 66 -9.876 -6.514 3.890 516 H TYR 67 H TYR 67 -7.177 -1.678 4.695 517 HA TYR 67 HA TYR 67 -7.967 -0.826 7.294 518 HB2 TYR 67 2HB TYR 67 -5.927 0.013 6.222 519 HB3 TYR 67 1HB TYR 67 -6.892 0.778 4.963 520 HD1 TYR 67 1HD TYR 67 -7.077 0.696 8.701 521 HD2 TYR 67 2HD TYR 67 -6.887 3.069 5.176 522 HE1 TYR 67 1HE TYR 67 -7.235 2.732 10.070 523 HE2 TYR 67 2HE TYR 67 -7.045 5.112 6.535 524 HH TYR 67 HH TYR 67 -6.540 5.797 8.896 525 H LYS 68 H LYS 68 -9.587 0.531 7.935 526 HA LYS 68 HA LYS 68 -11.772 0.889 6.035 527 HB2 LYS 68 2HB LYS 68 -11.535 0.602 8.943 528 HB3 LYS 68 1HB LYS 68 -12.679 1.843 8.452 529 HG2 LYS 68 2HG LYS 68 -14.172 0.352 7.718 530 HG3 LYS 68 1HG LYS 68 -12.938 -0.663 6.970 531 HD2 LYS 68 2HD LYS 68 -12.814 -2.021 8.753 532 HD3 LYS 68 1HD LYS 68 -12.859 -0.676 9.893 533 HE2 LYS 68 2HE LYS 68 -15.403 -0.650 8.939 534 HE3 LYS 68 1HE LYS 68 -15.032 -2.372 8.876 535 HZ1 LYS 68 3HZ LYS 68 -15.947 -1.153 11.048 536 HZ2 LYS 68 1HZ LYS 68 -14.286 -0.996 11.325 537 HZ3 LYS 68 2HZ LYS 68 -14.966 -2.529 11.108 538 H ASN 69 H ASN 69 -10.769 2.594 4.830 539 HA ASN 69 HA ASN 69 -10.435 5.140 6.236 540 HB2 ASN 69 2HB ASN 69 -8.772 4.118 4.485 541 HB3 ASN 69 1HB ASN 69 -9.903 4.781 3.309 542 HD21 ASN 69 1HD2 ASN 69 -7.078 5.408 4.511 543 HD22 ASN 69 2HD2 ASN 69 -7.117 7.130 4.652 Start of MODEL 11 1 H1 SER 1 1HT SER 1 0.944 -12.740 -8.000 2 H2 SER 1 2HT SER 1 0.970 -13.893 -9.270 3 H3 SER 1 3HT SER 1 2.379 -13.616 -8.332 4 HA SER 1 HA SER 1 1.195 -15.662 -7.785 5 HB2 SER 1 2HB SER 1 1.938 -13.448 -5.972 6 HB3 SER 1 1HB SER 1 0.978 -14.730 -5.235 7 HG SER 1 HG SER 1 3.567 -14.791 -6.239 8 H THR 2 H THR 2 -0.442 -12.994 -6.090 9 HA THR 2 HA THR 2 -3.031 -13.784 -7.062 10 HB THR 2 HB THR 2 -2.863 -15.480 -5.394 11 HG1 THR 2 1HG THR 2 -4.275 -13.342 -4.186 12 HG21 THR 2 3HG2 THR 2 -1.636 -15.337 -3.568 13 HG22 THR 2 1HG2 THR 2 -2.601 -13.983 -2.981 14 HG23 THR 2 2HG2 THR 2 -1.205 -13.687 -4.016 15 H LYS 3 H LYS 3 -4.735 -12.356 -6.339 16 HA LYS 3 HA LYS 3 -3.812 -9.665 -6.046 17 HB2 LYS 3 2HB LYS 3 -5.954 -10.662 -7.247 18 HB3 LYS 3 1HB LYS 3 -6.686 -10.380 -5.672 19 HG2 LYS 3 2HG LYS 3 -6.067 -8.026 -5.794 20 HG3 LYS 3 1HG LYS 3 -5.308 -8.304 -7.363 21 HD2 LYS 3 2HD LYS 3 -7.451 -7.405 -7.814 22 HD3 LYS 3 1HD LYS 3 -7.557 -9.132 -8.164 23 HE2 LYS 3 2HE LYS 3 -9.427 -8.988 -6.908 24 HE3 LYS 3 1HE LYS 3 -8.281 -9.140 -5.576 25 HZ1 LYS 3 3HZ LYS 3 -8.203 -6.568 -5.775 26 HZ2 LYS 3 1HZ LYS 3 -9.484 -7.309 -4.955 27 HZ3 LYS 3 2HZ LYS 3 -9.700 -6.755 -6.538 28 H LEU 4 H LEU 4 -2.793 -9.483 -4.062 29 HA LEU 4 HA LEU 4 -4.539 -9.768 -1.704 30 HB2 LEU 4 2HB LEU 4 -1.967 -10.840 -2.211 31 HB3 LEU 4 1HB LEU 4 -1.769 -9.605 -0.983 32 HG LEU 4 HG LEU 4 -3.937 -11.627 -0.635 33 HD11 LEU 4 1HD1 LEU 4 -1.231 -12.261 0.416 34 HD12 LEU 4 2HD1 LEU 4 -1.588 -12.646 -1.267 35 HD13 LEU 4 3HD1 LEU 4 -2.574 -13.334 0.023 36 HD21 LEU 4 3HD2 LEU 4 -2.921 -11.307 1.768 37 HD22 LEU 4 1HD2 LEU 4 -4.020 -10.111 1.081 38 HD23 LEU 4 2HD2 LEU 4 -2.280 -9.825 1.060 39 H TYR 5 H TYR 5 -3.976 -8.259 0.102 40 HA TYR 5 HA TYR 5 -3.757 -5.573 -0.964 41 HB2 TYR 5 2HB TYR 5 -4.265 -6.545 1.857 42 HB3 TYR 5 1HB TYR 5 -4.350 -4.868 1.330 43 HD1 TYR 5 2HD TYR 5 -5.942 -4.561 -0.838 44 HD2 TYR 5 1HD TYR 5 -6.271 -7.651 2.067 45 HE1 TYR 5 2HE TYR 5 -8.307 -4.865 -1.437 46 HE2 TYR 5 1HE TYR 5 -8.636 -7.964 1.475 47 HH TYR 5 HH TYR 5 -10.008 -6.821 -1.284 48 H GLY 6 H GLY 6 -1.748 -4.876 -1.359 49 HA2 GLY 6 2HA GLY 6 0.137 -3.787 -0.208 50 HA3 GLY 6 1HA GLY 6 0.256 -5.231 0.786 51 H ASP 7 H ASP 7 -0.229 -6.992 -1.540 52 HA ASP 7 HA ASP 7 2.478 -7.365 -2.305 53 HB2 ASP 7 2HB ASP 7 0.882 -9.231 -2.114 54 HB3 ASP 7 1HB ASP 7 -0.033 -8.586 -3.472 55 H VAL 8 H VAL 8 2.962 -5.267 -3.206 56 HA VAL 8 HA VAL 8 1.668 -4.413 -5.624 57 HB VAL 8 HB VAL 8 3.406 -2.670 -5.705 58 HG11 VAL 8 1HG1 VAL 8 2.559 -2.722 -2.855 59 HG12 VAL 8 2HG1 VAL 8 1.313 -2.730 -4.103 60 HG13 VAL 8 3HG1 VAL 8 2.483 -1.413 -4.033 61 HG21 VAL 8 3HG2 VAL 8 4.680 -4.446 -3.732 62 HG22 VAL 8 1HG2 VAL 8 4.765 -2.722 -3.368 63 HG23 VAL 8 2HG2 VAL 8 5.402 -3.334 -4.894 64 H ASN 9 H ASN 9 4.621 -6.128 -4.786 65 HA ASN 9 HA ASN 9 5.663 -6.087 -7.463 66 HB2 ASN 9 2HB ASN 9 7.307 -7.758 -6.529 67 HB3 ASN 9 1HB ASN 9 7.262 -6.207 -5.696 68 HD21 ASN 9 1HD2 ASN 9 8.166 -7.162 -3.854 69 HD22 ASN 9 2HD2 ASN 9 7.225 -8.149 -2.795 70 H ASP 10 H ASP 10 3.208 -7.827 -5.981 71 HA ASP 10 HA ASP 10 1.981 -9.640 -6.586 72 HB2 ASP 10 2HB ASP 10 2.190 -8.420 -8.828 73 HB3 ASP 10 1HB ASP 10 3.431 -9.602 -9.229 74 H ASP 11 H ASP 11 3.929 -10.365 -4.989 75 HA ASP 11 HA ASP 11 5.243 -12.679 -6.246 76 HB2 ASP 11 2HB ASP 11 6.837 -12.608 -4.379 77 HB3 ASP 11 1HB ASP 11 6.801 -11.074 -5.244 78 H GLY 12 H GLY 12 2.823 -11.741 -4.026 79 HA2 GLY 12 2HA GLY 12 1.223 -13.301 -3.213 80 HA3 GLY 12 1HA GLY 12 2.454 -14.552 -3.276 81 H LYS 13 H LYS 13 3.275 -11.483 -1.907 82 HA LYS 13 HA LYS 13 2.546 -12.072 0.779 83 HB2 LYS 13 2HB LYS 13 4.883 -12.331 1.641 84 HB3 LYS 13 1HB LYS 13 4.301 -13.699 0.701 85 HG2 LYS 13 2HG LYS 13 5.579 -12.998 -1.210 86 HG3 LYS 13 1HG LYS 13 6.065 -11.515 -0.385 87 HD2 LYS 13 2HD LYS 13 7.114 -13.001 1.378 88 HD3 LYS 13 1HD LYS 13 6.851 -14.346 0.267 89 HE2 LYS 13 2HE LYS 13 8.115 -12.970 -1.454 90 HE3 LYS 13 1HE LYS 13 8.585 -11.920 -0.119 91 HZ1 LYS 13 3HZ LYS 13 10.000 -14.027 -0.889 92 HZ2 LYS 13 1HZ LYS 13 9.023 -14.765 0.279 93 HZ3 LYS 13 2HZ LYS 13 9.999 -13.449 0.702 94 H VAL 14 H VAL 14 3.398 -10.458 2.309 95 HA VAL 14 HA VAL 14 3.980 -7.929 0.917 96 HB VAL 14 HB VAL 14 2.778 -8.267 3.667 97 HG11 VAL 14 1HG1 VAL 14 2.228 -5.905 3.470 98 HG12 VAL 14 2HG1 VAL 14 2.981 -5.848 1.876 99 HG13 VAL 14 3HG1 VAL 14 3.967 -6.153 3.307 100 HG21 VAL 14 3HG2 VAL 14 1.514 -8.920 1.353 101 HG22 VAL 14 1HG2 VAL 14 1.100 -7.212 1.502 102 HG23 VAL 14 2HG2 VAL 14 0.703 -8.332 2.804 103 H ASN 15 H ASN 15 6.168 -7.800 0.919 104 HA ASN 15 HA ASN 15 7.544 -8.072 3.509 105 HB2 ASN 15 2HB ASN 15 8.170 -9.515 1.407 106 HB3 ASN 15 1HB ASN 15 9.002 -8.052 0.891 107 HD21 ASN 15 1HD2 ASN 15 10.283 -10.469 1.414 108 HD22 ASN 15 2HD2 ASN 15 11.312 -10.260 2.784 109 H SER 16 H SER 16 9.621 -6.671 3.557 110 HA SER 16 HA SER 16 8.882 -3.987 3.623 111 HB2 SER 16 2HB SER 16 11.425 -3.595 3.723 112 HB3 SER 16 1HB SER 16 10.709 -4.602 4.981 113 HG SER 16 HG SER 16 11.891 -5.624 2.615 114 H THR 17 H THR 17 10.250 -5.901 1.053 115 HA THR 17 HA THR 17 11.221 -3.865 -0.604 116 HB THR 17 HB THR 17 11.705 -6.230 -0.997 117 HG1 THR 17 1HG THR 17 11.362 -6.207 -3.251 118 HG21 THR 17 3HG2 THR 17 10.063 -7.711 -0.826 119 HG22 THR 17 1HG2 THR 17 9.595 -7.217 -2.453 120 HG23 THR 17 2HG2 THR 17 8.818 -6.482 -1.052 121 H ASP 18 H ASP 18 7.980 -5.000 -0.005 122 HA ASP 18 HA ASP 18 6.784 -3.757 -2.280 123 HB2 ASP 18 2HB ASP 18 5.569 -4.722 0.318 124 HB3 ASP 18 1HB ASP 18 4.645 -4.197 -1.086 125 H ALA 19 H ALA 19 7.270 -2.839 1.094 126 HA ALA 19 HA ALA 19 5.713 -0.516 1.125 127 HB1 ALA 19 1HB ALA 19 8.271 -0.874 2.668 128 HB2 ALA 19 2HB ALA 19 6.766 -1.687 3.098 129 HB3 ALA 19 3HB ALA 19 6.853 0.074 3.113 130 H VAL 20 H VAL 20 9.137 -0.977 0.309 131 HA VAL 20 HA VAL 20 9.653 1.772 -0.192 132 HB VAL 20 HB VAL 20 11.456 0.190 0.330 133 HG11 VAL 20 1HG1 VAL 20 12.252 -1.386 -1.375 134 HG12 VAL 20 2HG1 VAL 20 10.871 -0.972 -2.390 135 HG13 VAL 20 3HG1 VAL 20 10.615 -1.767 -0.838 136 HG21 VAL 20 3HG2 VAL 20 11.647 1.565 -2.344 137 HG22 VAL 20 1HG2 VAL 20 13.031 0.884 -1.489 138 HG23 VAL 20 2HG2 VAL 20 12.111 2.205 -0.768 139 H ALA 21 H ALA 21 8.683 -0.947 -2.216 140 HA ALA 21 HA ALA 21 9.021 0.270 -4.721 141 HB1 ALA 21 1HB ALA 21 8.660 -1.941 -5.029 142 HB2 ALA 21 2HB ALA 21 6.991 -1.405 -5.226 143 HB3 ALA 21 3HB ALA 21 7.533 -2.057 -3.679 144 H LEU 22 H LEU 22 6.209 0.145 -2.559 145 HA LEU 22 HA LEU 22 4.412 1.503 -4.232 146 HB2 LEU 22 2HB LEU 22 3.777 0.233 -2.203 147 HB3 LEU 22 1HB LEU 22 4.496 1.490 -1.215 148 HG LEU 22 HG LEU 22 2.846 3.100 -1.994 149 HD11 LEU 22 1HD1 LEU 22 2.228 0.935 -3.908 150 HD12 LEU 22 2HD1 LEU 22 2.176 2.686 -4.114 151 HD13 LEU 22 3HD1 LEU 22 0.862 1.857 -3.281 152 HD21 LEU 22 3HD2 LEU 22 1.239 2.407 -0.569 153 HD22 LEU 22 1HD2 LEU 22 2.412 1.141 -0.207 154 HD23 LEU 22 2HD2 LEU 22 1.092 0.823 -1.331 155 H LYS 23 H LYS 23 6.706 2.685 -1.815 156 HA LYS 23 HA LYS 23 5.940 5.374 -1.804 157 HB2 LYS 23 2HB LYS 23 7.656 4.056 -0.328 158 HB3 LYS 23 1HB LYS 23 8.818 4.582 -1.539 159 HG2 LYS 23 2HG LYS 23 7.677 6.932 -1.045 160 HG3 LYS 23 1HG LYS 23 7.362 6.149 0.505 161 HD2 LYS 23 2HD LYS 23 9.436 7.255 0.748 162 HD3 LYS 23 1HD LYS 23 9.822 5.545 0.544 163 HE2 LYS 23 2HE LYS 23 11.343 6.653 -0.845 164 HE3 LYS 23 1HE LYS 23 10.083 6.084 -1.940 165 HZ1 LYS 23 3HZ LYS 23 10.733 8.380 -2.391 166 HZ2 LYS 23 1HZ LYS 23 10.266 8.833 -0.829 167 HZ3 LYS 23 2HZ LYS 23 9.109 8.279 -1.932 168 H ARG 24 H ARG 24 8.013 3.569 -3.989 169 HA ARG 24 HA ARG 24 9.096 5.798 -5.359 170 HB2 ARG 24 2HB ARG 24 8.738 2.921 -6.206 171 HB3 ARG 24 1HB ARG 24 9.628 4.116 -7.141 172 HG2 ARG 24 2HG ARG 24 10.948 4.427 -4.896 173 HG3 ARG 24 1HG ARG 24 10.340 2.802 -4.570 174 HD2 ARG 24 2HD ARG 24 11.323 2.006 -6.653 175 HD3 ARG 24 1HD ARG 24 11.898 3.633 -7.017 176 HE ARG 24 HE ARG 24 13.633 3.315 -5.553 177 HH11 ARG 24 1HH1 ARG 24 11.247 0.817 -5.049 178 HH12 ARG 24 2HH1 ARG 24 12.251 -0.100 -3.977 179 HH21 ARG 24 1HH2 ARG 24 14.955 2.109 -4.143 180 HH22 ARG 24 2HH2 ARG 24 14.357 0.633 -3.462 181 H TYR 25 H TYR 25 6.133 3.977 -5.681 182 HA TYR 25 HA TYR 25 5.425 4.966 -8.258 183 HB2 TYR 25 2HB TYR 25 4.484 2.883 -7.316 184 HB3 TYR 25 1HB TYR 25 3.646 3.828 -6.091 185 HD1 TYR 25 1HD TYR 25 1.705 5.182 -6.673 186 HD2 TYR 25 2HD TYR 25 3.714 2.855 -9.614 187 HE1 TYR 25 1HE TYR 25 -0.212 5.454 -8.189 188 HE2 TYR 25 2HE TYR 25 1.803 3.120 -11.139 189 HH TYR 25 HH TYR 25 -0.074 4.647 -11.490 190 H VAL 26 H VAL 26 4.730 5.970 -4.948 191 HA VAL 26 HA VAL 26 2.828 7.962 -5.592 192 HB VAL 26 HB VAL 26 4.659 7.910 -3.189 193 HG11 VAL 26 1HG1 VAL 26 2.588 9.033 -2.166 194 HG12 VAL 26 2HG1 VAL 26 2.102 9.340 -3.834 195 HG13 VAL 26 3HG1 VAL 26 3.619 10.000 -3.222 196 HG21 VAL 26 3HG2 VAL 26 1.972 6.596 -3.591 197 HG22 VAL 26 1HG2 VAL 26 2.830 6.711 -2.054 198 HG23 VAL 26 2HG2 VAL 26 3.521 5.778 -3.382 199 H LEU 27 H LEU 27 6.320 7.926 -5.503 200 HA LEU 27 HA LEU 27 6.539 10.801 -5.732 201 HB2 LEU 27 2HB LEU 27 8.180 9.181 -4.564 202 HB3 LEU 27 1HB LEU 27 8.777 8.855 -6.181 203 HG LEU 27 HG LEU 27 9.288 11.267 -6.448 204 HD11 LEU 27 1HD1 LEU 27 9.423 12.376 -4.022 205 HD12 LEU 27 2HD1 LEU 27 8.001 11.359 -3.789 206 HD13 LEU 27 3HD1 LEU 27 8.026 12.556 -5.084 207 HD21 LEU 27 3HD2 LEU 27 11.243 11.276 -5.002 208 HD22 LEU 27 1HD2 LEU 27 11.003 9.678 -5.708 209 HD23 LEU 27 2HD2 LEU 27 10.549 9.978 -4.031 210 H ARG 28 H ARG 28 5.736 8.410 -7.870 211 HA ARG 28 HA ARG 28 5.603 8.294 -10.134 212 HB2 ARG 28 2HB ARG 28 5.865 11.177 -9.568 213 HB3 ARG 28 1HB ARG 28 6.286 10.704 -11.209 214 HG2 ARG 28 2HG ARG 28 3.678 10.106 -9.827 215 HG3 ARG 28 1HG ARG 28 3.948 11.370 -11.028 216 HD2 ARG 28 2HD ARG 28 4.916 8.974 -12.147 217 HD3 ARG 28 1HD ARG 28 3.357 8.593 -11.418 218 HE ARG 28 HE ARG 28 3.841 10.243 -13.725 219 HH11 ARG 28 1HH1 ARG 28 1.618 9.520 -11.133 220 HH12 ARG 28 2HH1 ARG 28 0.238 10.133 -11.979 221 HH21 ARG 28 1HH2 ARG 28 2.026 11.050 -14.838 222 HH22 ARG 28 2HH2 ARG 28 0.469 11.002 -14.082 223 H SER 29 H SER 29 7.779 7.120 -9.316 224 HA SER 29 HA SER 29 10.107 8.252 -10.659 225 HB2 SER 29 2HB SER 29 9.845 5.749 -8.977 226 HB3 SER 29 1HB SER 29 11.355 6.414 -9.597 227 HG SER 29 HG SER 29 11.012 7.079 -7.460 228 H GLY 30 H GLY 30 7.616 6.901 -11.939 229 HA2 GLY 30 2HA GLY 30 7.249 5.709 -13.864 230 HA3 GLY 30 1HA GLY 30 8.980 5.798 -14.151 231 H ILE 31 H ILE 31 7.309 4.291 -11.420 232 HA ILE 31 HA ILE 31 8.566 1.743 -12.183 233 HB ILE 31 HB ILE 31 9.228 2.617 -9.983 234 HG12 ILE 31 2HG1 ILE 31 7.479 0.232 -9.460 235 HG13 ILE 31 1HG1 ILE 31 8.852 0.104 -10.554 236 HG21 ILE 31 1HG2 ILE 31 7.650 2.784 -8.160 237 HG22 ILE 31 2HG2 ILE 31 6.332 2.274 -9.216 238 HG23 ILE 31 3HG2 ILE 31 7.134 3.821 -9.490 239 HD11 ILE 31 3HD1 ILE 31 9.603 -0.624 -8.449 240 HD12 ILE 31 1HD1 ILE 31 8.871 0.753 -7.626 241 HD13 ILE 31 2HD1 ILE 31 10.272 0.992 -8.670 242 H SER 32 H SER 32 7.338 0.087 -12.793 243 HA SER 32 HA SER 32 4.452 0.378 -12.772 244 HB2 SER 32 2HB SER 32 6.419 -1.342 -14.178 245 HB3 SER 32 1HB SER 32 4.829 -2.047 -13.889 246 HG SER 32 HG SER 32 4.160 -0.898 -15.500 247 H ILE 33 H ILE 33 3.233 -0.344 -11.166 248 HA ILE 33 HA ILE 33 3.995 -2.821 -9.795 249 HB ILE 33 HB ILE 33 3.487 -1.901 -7.609 250 HG12 ILE 33 2HG1 ILE 33 3.090 0.724 -9.064 251 HG13 ILE 33 1HG1 ILE 33 1.834 -0.220 -8.272 252 HG21 ILE 33 1HG2 ILE 33 5.770 -1.516 -8.972 253 HG22 ILE 33 2HG2 ILE 33 5.547 -1.034 -7.290 254 HG23 ILE 33 3HG2 ILE 33 5.365 0.155 -8.580 255 HD11 ILE 33 3HD1 ILE 33 2.622 1.747 -6.980 256 HD12 ILE 33 1HD1 ILE 33 4.196 0.964 -6.839 257 HD13 ILE 33 2HD1 ILE 33 2.770 0.212 -6.124 258 H ASN 34 H ASN 34 2.135 -3.527 -8.294 259 HA ASN 34 HA ASN 34 -0.272 -3.550 -9.896 260 HB2 ASN 34 2HB ASN 34 0.757 -5.090 -7.561 261 HB3 ASN 34 1HB ASN 34 -0.988 -5.022 -7.791 262 HD21 ASN 34 1HD2 ASN 34 -0.432 -7.403 -7.986 263 HD22 ASN 34 2HD2 ASN 34 -0.141 -7.990 -9.585 264 H THR 35 H THR 35 -1.320 -1.624 -9.737 265 HA THR 35 HA THR 35 -1.584 -0.107 -7.376 266 HB THR 35 HB THR 35 -3.261 1.175 -8.591 267 HG1 THR 35 1HG THR 35 -3.213 -1.020 -10.375 268 HG21 THR 35 3HG2 THR 35 -1.636 0.677 -10.930 269 HG22 THR 35 1HG2 THR 35 -0.665 0.840 -9.466 270 HG23 THR 35 2HG2 THR 35 -1.778 2.126 -9.934 271 H ASP 36 H ASP 36 -3.396 -2.757 -8.712 272 HA ASP 36 HA ASP 36 -5.751 -2.464 -7.173 273 HB2 ASP 36 2HB ASP 36 -4.776 -4.231 -9.141 274 HB3 ASP 36 1HB ASP 36 -5.158 -5.228 -7.744 275 H ASN 37 H ASN 37 -2.749 -4.271 -6.682 276 HA ASN 37 HA ASN 37 -3.603 -5.339 -4.149 277 HB2 ASN 37 2HB ASN 37 -1.094 -5.450 -5.776 278 HB3 ASN 37 1HB ASN 37 -1.029 -5.892 -4.074 279 HD21 ASN 37 1HD2 ASN 37 -0.337 -7.885 -5.437 280 HD22 ASN 37 2HD2 ASN 37 -1.593 -9.035 -5.726 281 H ALA 38 H ALA 38 -1.655 -2.648 -5.276 282 HA ALA 38 HA ALA 38 -0.396 -1.931 -2.895 283 HB1 ALA 38 1HB ALA 38 0.475 -0.650 -4.524 284 HB2 ALA 38 2HB ALA 38 -0.797 0.480 -4.065 285 HB3 ALA 38 3HB ALA 38 -1.032 -0.604 -5.437 286 H ASP 39 H ASP 39 -3.567 -0.968 -4.164 287 HA ASP 39 HA ASP 39 -4.258 0.838 -2.145 288 HB2 ASP 39 2HB ASP 39 -5.441 0.314 -4.391 289 HB3 ASP 39 1HB ASP 39 -6.284 -0.936 -3.483 290 H LEU 40 H LEU 40 -3.908 0.223 -0.070 291 HA LEU 40 HA LEU 40 -4.824 -2.368 0.867 292 HB2 LEU 40 2HB LEU 40 -3.472 -0.111 2.342 293 HB3 LEU 40 1HB LEU 40 -3.805 -1.699 3.006 294 HG LEU 40 HG LEU 40 -2.267 -1.795 0.519 295 HD11 LEU 40 1HD1 LEU 40 -0.377 -0.678 1.091 296 HD12 LEU 40 2HD1 LEU 40 -0.650 -0.872 2.822 297 HD13 LEU 40 3HD1 LEU 40 -1.549 0.347 1.919 298 HD21 LEU 40 3HD2 LEU 40 -0.931 -3.361 1.812 299 HD22 LEU 40 1HD2 LEU 40 -2.649 -3.715 1.996 300 HD23 LEU 40 2HD2 LEU 40 -1.776 -2.890 3.286 301 H ASN 41 H ASN 41 -5.820 0.965 0.959 302 HA ASN 41 HA ASN 41 -7.869 0.375 2.961 303 HB2 ASN 41 2HB ASN 41 -8.254 2.780 3.037 304 HB3 ASN 41 1HB ASN 41 -6.541 2.429 3.245 305 HD21 ASN 41 1HD2 ASN 41 -6.797 4.857 2.647 306 HD22 ASN 41 2HD2 ASN 41 -6.553 5.218 0.976 307 H GLU 42 H GLU 42 -7.523 0.432 -0.395 308 HA GLU 42 HA GLU 42 -8.992 0.281 -2.122 309 HB2 GLU 42 2HB GLU 42 -11.060 -0.258 0.013 310 HB3 GLU 42 1HB GLU 42 -11.167 -0.686 -1.688 311 HG2 GLU 42 2HG GLU 42 -9.225 -2.189 -1.386 312 HG3 GLU 42 1HG GLU 42 -9.255 -1.820 0.338 313 H ASP 43 H ASP 43 -8.477 2.853 -1.067 314 HA ASP 43 HA ASP 43 -10.941 4.313 -0.857 315 HB2 ASP 43 2HB ASP 43 -9.447 6.317 -0.935 316 HB3 ASP 43 1HB ASP 43 -9.014 5.158 0.317 317 H GLY 44 H GLY 44 -9.050 3.148 -3.450 318 HA2 GLY 44 2HA GLY 44 -10.002 3.198 -5.664 319 HA3 GLY 44 1HA GLY 44 -10.634 4.798 -5.307 320 H ARG 45 H ARG 45 -7.786 5.189 -4.013 321 HA ARG 45 HA ARG 45 -6.196 5.432 -6.439 322 HB2 ARG 45 2HB ARG 45 -5.690 7.836 -5.911 323 HB3 ARG 45 1HB ARG 45 -7.326 7.537 -6.481 324 HG2 ARG 45 2HG ARG 45 -8.270 8.094 -4.497 325 HG3 ARG 45 1HG ARG 45 -6.897 7.512 -3.554 326 HD2 ARG 45 2HD ARG 45 -5.774 9.486 -3.711 327 HD3 ARG 45 1HD ARG 45 -6.446 9.865 -5.296 328 HE ARG 45 HE ARG 45 -7.507 10.621 -2.742 329 HH11 ARG 45 1HH1 ARG 45 -8.314 9.969 -6.073 330 HH12 ARG 45 2HH1 ARG 45 -9.744 10.944 -6.048 331 HH21 ARG 45 1HH2 ARG 45 -9.388 11.905 -2.707 332 HH22 ARG 45 2HH2 ARG 45 -10.354 12.044 -4.137 333 H VAL 46 H VAL 46 -3.992 5.493 -6.075 334 HA VAL 46 HA VAL 46 -3.156 4.595 -3.457 335 HB VAL 46 HB VAL 46 -1.417 5.130 -5.867 336 HG11 VAL 46 1HG1 VAL 46 0.286 4.140 -4.756 337 HG12 VAL 46 2HG1 VAL 46 -0.777 3.029 -3.894 338 HG13 VAL 46 3HG1 VAL 46 -0.613 4.697 -3.344 339 HG21 VAL 46 3HG2 VAL 46 -1.657 2.789 -6.435 340 HG22 VAL 46 1HG2 VAL 46 -3.245 3.557 -6.400 341 HG23 VAL 46 2HG2 VAL 46 -2.729 2.535 -5.058 342 H ASN 47 H ASN 47 -3.218 6.271 -2.030 343 HA ASN 47 HA ASN 47 -1.625 8.659 -2.686 344 HB2 ASN 47 2HB ASN 47 -2.937 9.637 -0.681 345 HB3 ASN 47 1HB ASN 47 -3.781 9.436 -2.212 346 HD21 ASN 47 1HD2 ASN 47 -5.805 9.241 -1.384 347 HD22 ASN 47 2HD2 ASN 47 -6.318 7.909 -0.409 348 H SER 48 H SER 48 -0.984 9.729 -0.380 349 HA SER 48 HA SER 48 1.153 8.235 0.584 350 HB2 SER 48 2HB SER 48 -0.257 10.702 1.447 351 HB3 SER 48 1HB SER 48 0.760 9.910 2.651 352 HG SER 48 HG SER 48 1.491 11.418 0.555 353 H THR 49 H THR 49 -2.189 8.269 1.555 354 HA THR 49 HA THR 49 -1.976 7.149 4.109 355 HB THR 49 HB THR 49 -4.238 6.348 2.335 356 HG1 THR 49 1HG THR 49 -5.104 8.460 2.568 357 HG21 THR 49 3HG2 THR 49 -4.344 5.814 4.711 358 HG22 THR 49 1HG2 THR 49 -5.596 6.966 4.246 359 HG23 THR 49 2HG2 THR 49 -4.159 7.524 5.103 360 H ASP 50 H ASP 50 -2.488 5.537 0.972 361 HA ASP 50 HA ASP 50 -2.491 2.908 1.891 362 HB2 ASP 50 2HB ASP 50 -1.558 4.038 -0.755 363 HB3 ASP 50 1HB ASP 50 -1.770 2.319 -0.441 364 H LEU 51 H LEU 51 0.199 5.005 0.984 365 HA LEU 51 HA LEU 51 2.254 3.105 1.089 366 HB2 LEU 51 2HB LEU 51 2.385 5.465 0.201 367 HB3 LEU 51 1HB LEU 51 2.491 6.009 1.864 368 HG LEU 51 HG LEU 51 4.680 5.849 0.644 369 HD11 LEU 51 1HD1 LEU 51 4.933 3.949 2.880 370 HD12 LEU 51 2HD1 LEU 51 4.118 5.468 3.245 371 HD13 LEU 51 3HD1 LEU 51 5.754 5.482 2.589 372 HD21 LEU 51 3HD2 LEU 51 4.742 2.932 1.104 373 HD22 LEU 51 1HD2 LEU 51 5.519 3.903 -0.147 374 HD23 LEU 51 2HD2 LEU 51 3.809 3.490 -0.286 375 H GLY 52 H GLY 52 0.974 5.264 3.604 376 HA2 GLY 52 2HA GLY 52 2.723 4.465 5.658 377 HA3 GLY 52 1HA GLY 52 1.142 5.195 5.892 378 H ILE 53 H ILE 53 -0.382 3.160 4.603 379 HA ILE 53 HA ILE 53 -0.837 1.420 6.749 380 HB ILE 53 HB ILE 53 -1.634 1.039 3.857 381 HG12 ILE 53 2HG1 ILE 53 -3.455 2.074 5.996 382 HG13 ILE 53 1HG1 ILE 53 -2.314 3.178 5.237 383 HG21 ILE 53 1HG2 ILE 53 -1.859 -1.027 5.072 384 HG22 ILE 53 2HG2 ILE 53 -3.461 -0.340 4.810 385 HG23 ILE 53 3HG2 ILE 53 -2.693 -0.206 6.391 386 HD11 ILE 53 3HD1 ILE 53 -3.559 1.782 3.149 387 HD12 ILE 53 1HD1 ILE 53 -3.770 3.473 3.604 388 HD13 ILE 53 2HD1 ILE 53 -4.832 2.238 4.279 389 H LEU 54 H LEU 54 0.913 0.933 3.704 390 HA LEU 54 HA LEU 54 1.487 -1.798 4.074 391 HB2 LEU 54 2HB LEU 54 1.796 -0.123 2.023 392 HB3 LEU 54 1HB LEU 54 3.436 -0.069 2.642 393 HG LEU 54 HG LEU 54 3.174 -1.721 0.840 394 HD11 LEU 54 1HD1 LEU 54 4.886 -2.065 2.534 395 HD12 LEU 54 2HD1 LEU 54 4.223 -3.606 1.990 396 HD13 LEU 54 3HD1 LEU 54 3.730 -2.933 3.544 397 HD21 LEU 54 3HD2 LEU 54 1.431 -3.278 2.735 398 HD22 LEU 54 1HD2 LEU 54 1.809 -3.643 1.051 399 HD23 LEU 54 2HD2 LEU 54 0.784 -2.263 1.446 400 H LYS 55 H LYS 55 3.382 1.114 4.820 401 HA LYS 55 HA LYS 55 5.625 -0.230 5.869 402 HB2 LYS 55 2HB LYS 55 5.701 2.119 5.191 403 HB3 LYS 55 1HB LYS 55 4.578 2.542 6.476 404 HG2 LYS 55 2HG LYS 55 6.259 1.762 8.128 405 HG3 LYS 55 1HG LYS 55 7.388 1.512 6.795 406 HD2 LYS 55 2HD LYS 55 7.893 3.684 6.707 407 HD3 LYS 55 1HD LYS 55 6.190 4.149 6.700 408 HE2 LYS 55 2HE LYS 55 6.243 3.647 9.213 409 HE3 LYS 55 1HE LYS 55 7.998 3.672 9.049 410 HZ1 LYS 55 3HZ LYS 55 8.021 5.900 8.632 411 HZ2 LYS 55 1HZ LYS 55 6.672 5.826 9.650 412 HZ3 LYS 55 2HZ LYS 55 6.463 5.926 7.974 413 H ARG 56 H ARG 56 2.796 1.207 7.474 414 HA ARG 56 HA ARG 56 3.563 0.496 10.098 415 HB2 ARG 56 2HB ARG 56 0.983 1.312 8.811 416 HB3 ARG 56 1HB ARG 56 0.986 0.735 10.472 417 HG2 ARG 56 2HG ARG 56 2.562 2.493 11.087 418 HG3 ARG 56 1HG ARG 56 2.574 3.067 9.417 419 HD2 ARG 56 2HD ARG 56 0.608 4.125 9.643 420 HD3 ARG 56 1HD ARG 56 -0.101 2.807 10.576 421 HE ARG 56 HE ARG 56 1.608 3.941 12.331 422 HH11 ARG 56 1HH1 ARG 56 -0.912 5.239 10.296 423 HH12 ARG 56 2HH1 ARG 56 -1.292 6.534 11.381 424 HH21 ARG 56 1HH2 ARG 56 1.109 5.643 13.758 425 HH22 ARG 56 2HH2 ARG 56 -0.145 6.764 13.346 426 H TYR 57 H TYR 57 1.815 -1.193 7.578 427 HA TYR 57 HA TYR 57 0.672 -3.239 9.109 428 HB2 TYR 57 2HB TYR 57 0.061 -2.837 6.771 429 HB3 TYR 57 1HB TYR 57 1.669 -3.329 6.253 430 HD1 TYR 57 2HD TYR 57 -1.153 -4.680 8.307 431 HD2 TYR 57 1HD TYR 57 1.889 -5.473 5.441 432 HE1 TYR 57 2HE TYR 57 -1.930 -7.007 8.136 433 HE2 TYR 57 1HE TYR 57 1.122 -7.802 5.262 434 HH TYR 57 HH TYR 57 -0.124 -9.435 6.552 435 H ILE 58 H ILE 58 3.862 -2.966 7.612 436 HA ILE 58 HA ILE 58 4.656 -5.585 8.571 437 HB ILE 58 HB ILE 58 6.405 -3.504 7.265 438 HG12 ILE 58 2HG1 ILE 58 4.880 -5.755 5.936 439 HG13 ILE 58 1HG1 ILE 58 4.406 -4.059 5.879 440 HG21 ILE 58 1HG2 ILE 58 7.932 -5.018 7.944 441 HG22 ILE 58 2HG2 ILE 58 7.386 -5.898 6.516 442 HG23 ILE 58 3HG2 ILE 58 6.739 -6.307 8.105 443 HD11 ILE 58 3HD1 ILE 58 6.916 -3.847 4.980 444 HD12 ILE 58 1HD1 ILE 58 5.529 -4.135 3.931 445 HD13 ILE 58 2HD1 ILE 58 6.544 -5.484 4.441 446 H LEU 59 H LEU 59 4.551 -2.468 9.853 447 HA LEU 59 HA LEU 59 6.877 -2.859 11.574 448 HB2 LEU 59 2HB LEU 59 5.730 -0.615 10.425 449 HB3 LEU 59 1HB LEU 59 5.246 -0.505 12.106 450 HG LEU 59 HG LEU 59 7.633 -0.698 12.769 451 HD11 LEU 59 1HD1 LEU 59 8.647 -1.839 10.988 452 HD12 LEU 59 2HD1 LEU 59 9.283 -0.198 10.897 453 HD13 LEU 59 3HD1 LEU 59 8.010 -0.712 9.791 454 HD21 LEU 59 3HD2 LEU 59 6.713 1.488 12.697 455 HD22 LEU 59 1HD2 LEU 59 6.813 1.544 10.937 456 HD23 LEU 59 2HD2 LEU 59 8.287 1.574 11.904 457 H LYS 60 H LYS 60 4.255 -4.393 11.739 458 HA LYS 60 HA LYS 60 2.842 -5.204 13.328 459 HB2 LYS 60 2HB LYS 60 5.405 -4.705 14.622 460 HB3 LYS 60 1HB LYS 60 4.065 -4.672 15.760 461 HG2 LYS 60 2HG LYS 60 3.484 -6.902 14.326 462 HG3 LYS 60 1HG LYS 60 5.248 -6.917 14.299 463 HD2 LYS 60 2HD LYS 60 3.533 -6.699 16.773 464 HD3 LYS 60 1HD LYS 60 4.346 -8.162 16.215 465 HE2 LYS 60 2HE LYS 60 5.889 -7.413 17.724 466 HE3 LYS 60 1HE LYS 60 6.464 -6.591 16.273 467 HZ1 LYS 60 3HZ LYS 60 5.862 -4.586 17.063 468 HZ2 LYS 60 1HZ LYS 60 5.998 -5.347 18.568 469 HZ3 LYS 60 2HZ LYS 60 4.479 -5.166 17.846 470 H GLU 61 H GLU 61 2.568 -2.372 12.548 471 HA GLU 61 HA GLU 61 1.593 -1.109 14.990 472 HB2 GLU 61 2HB GLU 61 1.880 -0.110 12.156 473 HB3 GLU 61 1HB GLU 61 1.146 0.835 13.445 474 HG2 GLU 61 2HG GLU 61 3.920 -0.278 13.676 475 HG3 GLU 61 1HG GLU 61 3.591 1.274 12.905 476 H ILE 62 H ILE 62 0.412 -2.430 11.951 477 HA ILE 62 HA ILE 62 -2.286 -2.481 13.080 478 HB ILE 62 HB ILE 62 -3.205 -1.830 10.816 479 HG12 ILE 62 2HG1 ILE 62 -0.795 -0.260 10.209 480 HG13 ILE 62 1HG1 ILE 62 -0.589 -1.996 10.009 481 HG21 ILE 62 1HG2 ILE 62 -1.899 -0.035 12.773 482 HG22 ILE 62 2HG2 ILE 62 -3.595 -0.166 12.307 483 HG23 ILE 62 3HG2 ILE 62 -2.456 0.688 11.264 484 HD11 ILE 62 3HD1 ILE 62 -1.966 -0.102 8.336 485 HD12 ILE 62 1HD1 ILE 62 -3.021 -1.438 8.796 486 HD13 ILE 62 2HD1 ILE 62 -1.481 -1.763 7.999 487 H ASP 63 H ASP 63 -2.926 -4.524 13.032 488 HA ASP 63 HA ASP 63 -1.966 -6.257 10.856 489 HB2 ASP 63 2HB ASP 63 -2.461 -8.145 12.388 490 HB3 ASP 63 1HB ASP 63 -1.264 -7.032 13.043 491 H THR 64 H THR 64 -4.472 -4.412 11.218 492 HA THR 64 HA THR 64 -6.478 -6.452 10.520 493 HB THR 64 HB THR 64 -6.974 -3.611 11.426 494 HG1 THR 64 1HG THR 64 -7.338 -4.444 13.431 495 HG21 THR 64 3HG2 THR 64 -8.916 -5.884 11.533 496 HG22 THR 64 1HG2 THR 64 -8.776 -4.848 10.112 497 HG23 THR 64 2HG2 THR 64 -9.222 -4.153 11.671 498 H LEU 65 H LEU 65 -6.516 -6.674 8.369 499 HA LEU 65 HA LEU 65 -6.630 -4.222 6.740 500 HB2 LEU 65 2HB LEU 65 -4.955 -6.582 6.508 501 HB3 LEU 65 1HB LEU 65 -5.866 -6.292 5.038 502 HG LEU 65 HG LEU 65 -4.920 -4.084 4.815 503 HD11 LEU 65 1HD1 LEU 65 -4.068 -4.575 7.598 504 HD12 LEU 65 2HD1 LEU 65 -4.564 -3.079 6.806 505 HD13 LEU 65 3HD1 LEU 65 -2.932 -3.704 6.567 506 HD21 LEU 65 3HD2 LEU 65 -2.758 -6.080 5.471 507 HD22 LEU 65 1HD2 LEU 65 -2.597 -4.659 4.440 508 HD23 LEU 65 2HD2 LEU 65 -3.639 -5.994 3.945 509 HA PRO 66 HA PRO 66 -6.875 -3.961 4.455 510 HB2 PRO 66 2HB PRO 66 -8.765 -2.556 3.154 511 HB3 PRO 66 1HB PRO 66 -8.168 -4.106 2.548 512 HG2 PRO 66 2HG PRO 66 -10.680 -3.504 4.059 513 HG3 PRO 66 1HG PRO 66 -10.443 -4.567 2.661 514 HD2 PRO 66 2HD PRO 66 -10.600 -5.470 5.237 515 HD3 PRO 66 1HD PRO 66 -9.704 -6.309 3.956 516 H TYR 67 H TYR 67 -6.898 -1.526 4.477 517 HA TYR 67 HA TYR 67 -7.411 -0.608 7.122 518 HB2 TYR 67 2HB TYR 67 -5.519 0.178 5.692 519 HB3 TYR 67 1HB TYR 67 -6.683 1.035 4.689 520 HD1 TYR 67 2HD TYR 67 -6.392 0.717 8.399 521 HD2 TYR 67 1HD TYR 67 -6.354 3.303 5.021 522 HE1 TYR 67 2HE TYR 67 -6.242 2.661 9.896 523 HE2 TYR 67 1HE TYR 67 -6.202 5.254 6.507 524 HH TYR 67 HH TYR 67 -6.817 5.796 8.903 525 H LYS 68 H LYS 68 -9.265 0.112 7.912 526 HA LYS 68 HA LYS 68 -11.517 0.636 6.222 527 HB2 LYS 68 2HB LYS 68 -11.119 -0.044 8.918 528 HB3 LYS 68 1HB LYS 68 -11.886 1.536 8.944 529 HG2 LYS 68 2HG LYS 68 -13.609 0.573 7.358 530 HG3 LYS 68 1HG LYS 68 -12.917 -1.007 7.731 531 HD2 LYS 68 2HD LYS 68 -13.380 -0.649 10.107 532 HD3 LYS 68 1HD LYS 68 -14.062 0.936 9.737 533 HE2 LYS 68 2HE LYS 68 -15.991 -0.266 9.776 534 HE3 LYS 68 1HE LYS 68 -15.550 -0.524 8.088 535 HZ1 LYS 68 3HZ LYS 68 -16.152 -2.602 9.100 536 HZ2 LYS 68 1HZ LYS 68 -15.028 -2.380 10.346 537 HZ3 LYS 68 2HZ LYS 68 -14.496 -2.621 8.759 538 H ASN 69 H ASN 69 -10.735 2.398 4.954 539 HA ASN 69 HA ASN 69 -10.977 4.974 6.348 540 HB2 ASN 69 2HB ASN 69 -8.569 4.080 5.478 541 HB3 ASN 69 1HB ASN 69 -9.135 4.917 4.035 542 HD21 ASN 69 1HD2 ASN 69 -7.727 6.599 4.128 543 HD22 ASN 69 2HD2 ASN 69 -7.743 7.794 5.375 Start of MODEL 12 1 H1 SER 1 1HT SER 1 0.981 -13.326 -9.959 2 H2 SER 1 2HT SER 1 0.343 -11.818 -9.444 3 H3 SER 1 3HT SER 1 -0.687 -12.987 -10.161 4 HA SER 1 HA SER 1 -0.033 -14.483 -8.288 5 HB2 SER 1 2HB SER 1 0.908 -11.787 -7.278 6 HB3 SER 1 1HB SER 1 0.652 -13.190 -6.241 7 HG SER 1 HG SER 1 2.834 -12.995 -6.910 8 H THR 2 H THR 2 -1.446 -14.459 -6.337 9 HA THR 2 HA THR 2 -4.049 -13.629 -7.005 10 HB THR 2 HB THR 2 -3.689 -15.539 -5.564 11 HG1 THR 2 1HG THR 2 -5.124 -14.960 -3.871 12 HG21 THR 2 3HG2 THR 2 -2.499 -15.606 -3.671 13 HG22 THR 2 1HG2 THR 2 -3.019 -13.999 -3.162 14 HG23 THR 2 2HG2 THR 2 -1.717 -14.173 -4.339 15 H LYS 3 H LYS 3 -5.449 -12.215 -5.692 16 HA LYS 3 HA LYS 3 -4.243 -9.636 -5.384 17 HB2 LYS 3 2HB LYS 3 -6.719 -10.422 -6.076 18 HB3 LYS 3 1HB LYS 3 -6.989 -10.114 -4.366 19 HG2 LYS 3 2HG LYS 3 -6.030 -7.836 -4.700 20 HG3 LYS 3 1HG LYS 3 -5.990 -8.169 -6.433 21 HD2 LYS 3 2HD LYS 3 -8.008 -7.065 -6.200 22 HD3 LYS 3 1HD LYS 3 -8.503 -8.757 -6.108 23 HE2 LYS 3 2HE LYS 3 -9.585 -7.391 -4.381 24 HE3 LYS 3 1HE LYS 3 -8.548 -8.636 -3.684 25 HZ1 LYS 3 3HZ LYS 3 -7.480 -5.931 -4.142 26 HZ2 LYS 3 1HZ LYS 3 -7.002 -7.092 -3.007 27 HZ3 LYS 3 2HZ LYS 3 -8.441 -6.232 -2.782 28 H LEU 4 H LEU 4 -2.724 -10.049 -3.692 29 HA LEU 4 HA LEU 4 -3.852 -10.567 -1.041 30 HB2 LEU 4 2HB LEU 4 -1.600 -11.523 -2.208 31 HB3 LEU 4 1HB LEU 4 -0.946 -10.148 -1.339 32 HG LEU 4 HG LEU 4 -2.593 -11.466 0.509 33 HD11 LEU 4 1HD1 LEU 4 -2.754 -13.508 -0.517 34 HD12 LEU 4 2HD1 LEU 4 -1.266 -13.723 0.405 35 HD13 LEU 4 3HD1 LEU 4 -1.191 -13.354 -1.319 36 HD21 LEU 4 3HD2 LEU 4 0.403 -11.586 0.191 37 HD22 LEU 4 1HD2 LEU 4 -0.505 -11.892 1.671 38 HD23 LEU 4 2HD2 LEU 4 -0.493 -10.277 0.960 39 H TYR 5 H TYR 5 -3.965 -9.060 0.527 40 HA TYR 5 HA TYR 5 -3.650 -6.313 -0.174 41 HB2 TYR 5 2HB TYR 5 -4.327 -7.691 2.426 42 HB3 TYR 5 1HB TYR 5 -4.246 -5.940 2.263 43 HD1 TYR 5 2HD TYR 5 -5.554 -5.289 -0.166 44 HD2 TYR 5 1HD TYR 5 -6.514 -8.398 2.575 45 HE1 TYR 5 2HE TYR 5 -7.884 -5.252 -0.950 46 HE2 TYR 5 1HE TYR 5 -8.848 -8.370 1.799 47 HH TYR 5 HH TYR 5 -10.051 -7.658 -0.390 48 H GLY 6 H GLY 6 -1.629 -5.566 -0.458 49 HA2 GLY 6 2HA GLY 6 0.187 -4.501 0.779 50 HA3 GLY 6 1HA GLY 6 0.260 -5.942 1.783 51 H ASP 7 H ASP 7 -0.176 -6.250 -1.647 52 HA ASP 7 HA ASP 7 2.650 -7.032 -1.926 53 HB2 ASP 7 2HB ASP 7 0.958 -8.952 -1.816 54 HB3 ASP 7 1HB ASP 7 0.389 -8.391 -3.386 55 H VAL 8 H VAL 8 3.089 -4.956 -2.801 56 HA VAL 8 HA VAL 8 1.695 -4.032 -5.138 57 HB VAL 8 HB VAL 8 3.466 -2.275 -5.204 58 HG11 VAL 8 1HG1 VAL 8 1.346 -2.051 -3.915 59 HG12 VAL 8 2HG1 VAL 8 2.681 -1.093 -3.272 60 HG13 VAL 8 3HG1 VAL 8 2.215 -2.600 -2.482 61 HG21 VAL 8 3HG2 VAL 8 5.308 -2.297 -3.907 62 HG22 VAL 8 1HG2 VAL 8 5.014 -4.035 -3.860 63 HG23 VAL 8 2HG2 VAL 8 4.462 -3.011 -2.535 64 H ASN 9 H ASN 9 4.583 -5.876 -4.486 65 HA ASN 9 HA ASN 9 5.619 -5.602 -7.164 66 HB2 ASN 9 2HB ASN 9 7.285 -7.309 -6.399 67 HB3 ASN 9 1HB ASN 9 7.224 -5.861 -5.398 68 HD21 ASN 9 1HD2 ASN 9 8.157 -7.013 -3.683 69 HD22 ASN 9 2HD2 ASN 9 7.233 -8.121 -2.735 70 H ASP 10 H ASP 10 3.175 -7.436 -5.780 71 HA ASP 10 HA ASP 10 1.966 -9.239 -6.455 72 HB2 ASP 10 2HB ASP 10 2.227 -7.716 -8.620 73 HB3 ASP 10 1HB ASP 10 3.129 -9.114 -9.199 74 H ASP 11 H ASP 11 3.985 -10.135 -5.086 75 HA ASP 11 HA ASP 11 5.247 -12.249 -6.700 76 HB2 ASP 11 2HB ASP 11 6.949 -12.376 -4.900 77 HB3 ASP 11 1HB ASP 11 6.893 -10.795 -5.674 78 H GLY 12 H GLY 12 2.991 -11.621 -4.214 79 HA2 GLY 12 2HA GLY 12 1.479 -13.278 -3.446 80 HA3 GLY 12 1HA GLY 12 2.689 -14.505 -3.790 81 H LYS 13 H LYS 13 3.686 -11.650 -2.120 82 HA LYS 13 HA LYS 13 3.201 -12.573 0.526 83 HB2 LYS 13 2HB LYS 13 5.203 -13.972 -0.581 84 HB3 LYS 13 1HB LYS 13 6.119 -12.579 -0.022 85 HG2 LYS 13 2HG LYS 13 6.294 -13.835 1.841 86 HG3 LYS 13 1HG LYS 13 4.734 -13.092 2.202 87 HD2 LYS 13 2HD LYS 13 4.774 -15.616 0.623 88 HD3 LYS 13 1HD LYS 13 5.083 -15.704 2.358 89 HE2 LYS 13 2HE LYS 13 2.975 -14.545 2.792 90 HE3 LYS 13 1HE LYS 13 2.668 -14.445 1.059 91 HZ1 LYS 13 3HZ LYS 13 3.086 -17.046 2.398 92 HZ2 LYS 13 1HZ LYS 13 2.343 -16.731 0.911 93 HZ3 LYS 13 2HZ LYS 13 1.560 -16.318 2.352 94 H VAL 14 H VAL 14 3.419 -10.934 1.956 95 HA VAL 14 HA VAL 14 4.157 -8.343 0.909 96 HB VAL 14 HB VAL 14 3.275 -9.020 3.714 97 HG11 VAL 14 1HG1 VAL 14 3.147 -6.805 4.124 98 HG12 VAL 14 2HG1 VAL 14 2.647 -6.421 2.477 99 HG13 VAL 14 3HG1 VAL 14 4.349 -6.710 2.837 100 HG21 VAL 14 3HG2 VAL 14 1.514 -9.800 2.383 101 HG22 VAL 14 1HG2 VAL 14 1.685 -8.480 1.226 102 HG23 VAL 14 2HG2 VAL 14 1.029 -8.165 2.833 103 H ASN 15 H ASN 15 6.330 -8.141 0.702 104 HA ASN 15 HA ASN 15 7.977 -8.667 3.087 105 HB2 ASN 15 2HB ASN 15 8.414 -9.820 0.769 106 HB3 ASN 15 1HB ASN 15 9.155 -8.276 0.359 107 HD21 ASN 15 1HD2 ASN 15 10.520 -10.719 0.469 108 HD22 ASN 15 2HD2 ASN 15 11.686 -10.631 1.739 109 H SER 16 H SER 16 9.989 -7.204 3.142 110 HA SER 16 HA SER 16 9.155 -4.554 3.520 111 HB2 SER 16 2HB SER 16 11.110 -5.658 4.649 112 HB3 SER 16 1HB SER 16 12.006 -5.493 3.139 113 HG SER 16 HG SER 16 11.983 -3.312 3.354 114 H THR 17 H THR 17 10.547 -6.181 0.767 115 HA THR 17 HA THR 17 11.451 -3.984 -0.702 116 HB THR 17 HB THR 17 10.246 -6.558 -1.737 117 HG1 THR 17 1HG THR 17 12.018 -7.431 -1.086 118 HG21 THR 17 3HG2 THR 17 10.990 -6.116 -3.805 119 HG22 THR 17 1HG2 THR 17 12.396 -5.221 -3.226 120 HG23 THR 17 2HG2 THR 17 10.816 -4.440 -3.283 121 H ASP 18 H ASP 18 8.233 -5.251 -0.211 122 HA ASP 18 HA ASP 18 6.972 -3.851 -2.334 123 HB2 ASP 18 2HB ASP 18 5.824 -4.940 0.245 124 HB3 ASP 18 1HB ASP 18 4.870 -4.363 -1.117 125 H ALA 19 H ALA 19 7.818 -3.026 0.953 126 HA ALA 19 HA ALA 19 6.172 -0.755 1.247 127 HB1 ALA 19 1HB ALA 19 7.780 -2.122 2.916 128 HB2 ALA 19 2HB ALA 19 7.172 -0.502 3.255 129 HB3 ALA 19 3HB ALA 19 8.794 -0.715 2.596 130 H VAL 20 H VAL 20 9.588 -1.045 0.280 131 HA VAL 20 HA VAL 20 9.954 1.716 -0.216 132 HB VAL 20 HB VAL 20 11.840 0.193 0.168 133 HG11 VAL 20 1HG1 VAL 20 11.102 -0.936 -2.527 134 HG12 VAL 20 2HG1 VAL 20 11.066 -1.777 -0.978 135 HG13 VAL 20 3HG1 VAL 20 12.607 -1.276 -1.674 136 HG21 VAL 20 3HG2 VAL 20 12.335 2.270 -0.917 137 HG22 VAL 20 1HG2 VAL 20 11.852 1.624 -2.484 138 HG23 VAL 20 2HG2 VAL 20 13.297 1.007 -1.684 139 H ALA 21 H ALA 21 8.908 -0.973 -2.225 140 HA ALA 21 HA ALA 21 9.095 0.290 -4.729 141 HB1 ALA 21 1HB ALA 21 7.443 -1.417 -5.466 142 HB2 ALA 21 2HB ALA 21 7.270 -1.912 -3.782 143 HB3 ALA 21 3HB ALA 21 8.824 -2.089 -4.598 144 H LEU 22 H LEU 22 6.395 0.056 -2.434 145 HA LEU 22 HA LEU 22 4.548 1.498 -4.021 146 HB2 LEU 22 2HB LEU 22 3.925 0.003 -2.145 147 HB3 LEU 22 1HB LEU 22 4.599 1.167 -1.021 148 HG LEU 22 HG LEU 22 2.915 2.801 -1.632 149 HD11 LEU 22 1HD1 LEU 22 1.887 0.713 -3.549 150 HD12 LEU 22 2HD1 LEU 22 2.685 2.223 -3.990 151 HD13 LEU 22 3HD1 LEU 22 1.115 2.257 -3.186 152 HD21 LEU 22 3HD2 LEU 22 1.714 0.091 -1.074 153 HD22 LEU 22 1HD2 LEU 22 0.924 1.645 -0.800 154 HD23 LEU 22 2HD2 LEU 22 2.361 1.210 0.126 155 H LYS 23 H LYS 23 6.970 2.456 -1.678 156 HA LYS 23 HA LYS 23 6.093 5.113 -1.291 157 HB2 LYS 23 2HB LYS 23 7.864 3.678 0.003 158 HB3 LYS 23 1HB LYS 23 8.990 4.365 -1.160 159 HG2 LYS 23 2HG LYS 23 7.466 6.514 -0.194 160 HG3 LYS 23 1HG LYS 23 7.887 5.533 1.211 161 HD2 LYS 23 2HD LYS 23 10.094 5.940 -0.673 162 HD3 LYS 23 1HD LYS 23 9.495 7.426 0.068 163 HE2 LYS 23 2HE LYS 23 10.872 6.894 1.755 164 HE3 LYS 23 1HE LYS 23 9.607 5.756 2.213 165 HZ1 LYS 23 3HZ LYS 23 10.903 4.240 0.524 166 HZ2 LYS 23 1HZ LYS 23 11.389 4.367 2.140 167 HZ3 LYS 23 2HZ LYS 23 12.193 5.249 0.942 168 H ARG 24 H ARG 24 8.483 3.699 -3.506 169 HA ARG 24 HA ARG 24 9.342 6.082 -4.693 170 HB2 ARG 24 2HB ARG 24 9.191 3.281 -5.816 171 HB3 ARG 24 1HB ARG 24 10.010 4.617 -6.617 172 HG2 ARG 24 2HG ARG 24 11.262 4.794 -4.309 173 HG3 ARG 24 1HG ARG 24 10.781 3.100 -4.181 174 HD2 ARG 24 2HD ARG 24 12.689 2.721 -5.308 175 HD3 ARG 24 1HD ARG 24 11.728 3.170 -6.715 176 HE ARG 24 HE ARG 24 12.694 5.541 -5.864 177 HH11 ARG 24 1HH1 ARG 24 14.212 2.478 -6.572 178 HH12 ARG 24 2HH1 ARG 24 15.711 3.193 -7.064 179 HH21 ARG 24 1HH2 ARG 24 14.666 6.482 -6.510 180 HH22 ARG 24 2HH2 ARG 24 15.968 5.466 -7.028 181 H TYR 25 H TYR 25 6.514 4.109 -5.255 182 HA TYR 25 HA TYR 25 5.762 5.164 -7.758 183 HB2 TYR 25 2HB TYR 25 4.792 3.103 -6.844 184 HB3 TYR 25 1HB TYR 25 4.022 4.026 -5.558 185 HD1 TYR 25 2HD TYR 25 3.958 3.225 -9.139 186 HD2 TYR 25 1HD TYR 25 2.044 5.347 -5.986 187 HE1 TYR 25 2HE TYR 25 1.986 3.560 -10.569 188 HE2 TYR 25 1HE TYR 25 0.065 5.686 -7.407 189 HH TYR 25 HH TYR 25 -0.381 4.026 -10.363 190 H VAL 26 H VAL 26 4.597 5.978 -4.486 191 HA VAL 26 HA VAL 26 2.978 8.134 -5.267 192 HB VAL 26 HB VAL 26 4.371 7.825 -2.606 193 HG11 VAL 26 1HG1 VAL 26 3.386 9.996 -2.838 194 HG12 VAL 26 2HG1 VAL 26 2.357 9.037 -1.776 195 HG13 VAL 26 3HG1 VAL 26 1.886 9.305 -3.454 196 HG21 VAL 26 3HG2 VAL 26 2.756 5.943 -3.729 197 HG22 VAL 26 1HG2 VAL 26 1.590 6.928 -2.847 198 HG23 VAL 26 2HG2 VAL 26 2.950 6.196 -1.996 199 H LEU 27 H LEU 27 6.403 7.881 -4.792 200 HA LEU 27 HA LEU 27 6.838 10.720 -4.557 201 HB2 LEU 27 2HB LEU 27 8.277 8.732 -3.658 202 HB3 LEU 27 1HB LEU 27 8.986 8.762 -5.261 203 HG LEU 27 HG LEU 27 8.890 11.403 -4.009 204 HD11 LEU 27 1HD1 LEU 27 10.965 9.667 -2.810 205 HD12 LEU 27 2HD1 LEU 27 9.334 9.546 -2.150 206 HD13 LEU 27 3HD1 LEU 27 10.166 11.101 -2.162 207 HD21 LEU 27 3HD2 LEU 27 10.941 11.663 -5.029 208 HD22 LEU 27 1HD2 LEU 27 10.166 10.484 -6.087 209 HD23 LEU 27 2HD2 LEU 27 11.347 9.952 -4.890 210 H ARG 28 H ARG 28 5.903 8.892 -7.108 211 HA ARG 28 HA ARG 28 5.854 9.227 -9.354 212 HB2 ARG 28 2HB ARG 28 7.259 11.855 -8.898 213 HB3 ARG 28 1HB ARG 28 6.180 11.417 -10.215 214 HG2 ARG 28 2HG ARG 28 4.821 11.127 -7.708 215 HG3 ARG 28 1HG ARG 28 5.537 12.734 -7.828 216 HD2 ARG 28 2HD ARG 28 3.710 11.437 -9.846 217 HD3 ARG 28 1HD ARG 28 3.277 12.727 -8.726 218 HE ARG 28 HE ARG 28 5.485 13.379 -10.447 219 HH11 ARG 28 1HH1 ARG 28 2.009 13.352 -10.137 220 HH12 ARG 28 2HH1 ARG 28 1.770 14.608 -11.305 221 HH21 ARG 28 1HH2 ARG 28 5.172 15.032 -11.982 222 HH22 ARG 28 2HH2 ARG 28 3.565 15.561 -12.353 223 H SER 29 H SER 29 7.985 7.763 -8.272 224 HA SER 29 HA SER 29 10.463 8.591 -9.455 225 HB2 SER 29 2HB SER 29 9.875 6.908 -7.428 226 HB3 SER 29 1HB SER 29 10.085 5.740 -8.732 227 HG SER 29 HG SER 29 11.943 7.489 -7.583 228 H GLY 30 H GLY 30 7.778 6.560 -10.392 229 HA2 GLY 30 2HA GLY 30 7.302 6.202 -12.715 230 HA3 GLY 30 1HA GLY 30 9.028 6.254 -13.036 231 H ILE 31 H ILE 31 7.619 4.441 -10.395 232 HA ILE 31 HA ILE 31 8.514 1.968 -11.712 233 HB ILE 31 HB ILE 31 9.603 2.470 -9.562 234 HG12 ILE 31 2HG1 ILE 31 7.735 0.090 -9.466 235 HG13 ILE 31 1HG1 ILE 31 9.306 0.134 -10.258 236 HG21 ILE 31 1HG2 ILE 31 8.523 3.059 -7.692 237 HG22 ILE 31 2HG2 ILE 31 7.261 1.850 -7.924 238 HG23 ILE 31 3HG2 ILE 31 7.165 3.397 -8.765 239 HD11 ILE 31 3HD1 ILE 31 9.775 -0.921 -8.269 240 HD12 ILE 31 1HD1 ILE 31 8.658 0.087 -7.349 241 HD13 ILE 31 2HD1 ILE 31 10.192 0.754 -7.907 242 H SER 32 H SER 32 6.962 0.759 -12.563 243 HA SER 32 HA SER 32 4.203 1.149 -11.962 244 HB2 SER 32 2HB SER 32 5.781 -0.591 -13.782 245 HB3 SER 32 1HB SER 32 4.167 -1.155 -13.350 246 HG SER 32 HG SER 32 3.972 0.124 -15.155 247 H ILE 33 H ILE 33 2.925 0.131 -10.543 248 HA ILE 33 HA ILE 33 3.899 -2.342 -9.288 249 HB ILE 33 HB ILE 33 3.245 -1.602 -7.091 250 HG12 ILE 33 2HG1 ILE 33 2.442 0.990 -8.440 251 HG13 ILE 33 1HG1 ILE 33 1.358 -0.172 -7.682 252 HG21 ILE 33 1HG2 ILE 33 5.073 -0.289 -6.649 253 HG22 ILE 33 2HG2 ILE 33 4.826 0.726 -8.070 254 HG23 ILE 33 3HG2 ILE 33 5.488 -0.899 -8.251 255 HD11 ILE 33 3HD1 ILE 33 1.505 1.296 -5.980 256 HD12 ILE 33 1HD1 ILE 33 3.098 1.873 -6.467 257 HD13 ILE 33 2HD1 ILE 33 2.941 0.344 -5.600 258 H ASN 34 H ASN 34 1.983 -3.096 -7.703 259 HA ASN 34 HA ASN 34 -0.329 -3.393 -9.462 260 HB2 ASN 34 2HB ASN 34 1.056 -5.158 -7.777 261 HB3 ASN 34 1HB ASN 34 -0.495 -4.890 -6.987 262 HD21 ASN 34 1HD2 ASN 34 -2.010 -6.258 -7.545 263 HD22 ASN 34 2HD2 ASN 34 -2.149 -7.072 -9.063 264 H THR 35 H THR 35 -1.794 -1.824 -9.232 265 HA THR 35 HA THR 35 -2.194 -0.405 -6.788 266 HB THR 35 HB THR 35 -4.023 0.715 -7.981 267 HG1 THR 35 1HG THR 35 -4.882 -0.962 -9.166 268 HG21 THR 35 3HG2 THR 35 -2.349 0.791 -10.268 269 HG22 THR 35 1HG2 THR 35 -1.333 0.708 -8.829 270 HG23 THR 35 2HG2 THR 35 -2.533 1.990 -8.988 271 H ASP 36 H ASP 36 -3.641 -3.169 -8.314 272 HA ASP 36 HA ASP 36 -6.079 -3.270 -6.934 273 HB2 ASP 36 2HB ASP 36 -4.528 -4.990 -8.653 274 HB3 ASP 36 1HB ASP 36 -5.212 -5.923 -7.329 275 H ASN 37 H ASN 37 -2.886 -4.571 -6.153 276 HA ASN 37 HA ASN 37 -3.823 -5.595 -3.600 277 HB2 ASN 37 2HB ASN 37 -1.074 -5.598 -4.864 278 HB3 ASN 37 1HB ASN 37 -1.480 -6.377 -3.338 279 HD21 ASN 37 1HD2 ASN 37 -0.400 -7.939 -5.162 280 HD22 ASN 37 2HD2 ASN 37 -1.570 -8.979 -5.893 281 H ALA 38 H ALA 38 -1.964 -2.918 -4.877 282 HA ALA 38 HA ALA 38 -0.739 -2.005 -2.545 283 HB1 ALA 38 1HB ALA 38 -1.787 -0.360 -4.845 284 HB2 ALA 38 2HB ALA 38 -0.206 -1.140 -4.768 285 HB3 ALA 38 3HB ALA 38 -0.602 0.165 -3.650 286 H ASP 39 H ASP 39 -3.929 -1.199 -3.887 287 HA ASP 39 HA ASP 39 -4.696 0.676 -1.968 288 HB2 ASP 39 2HB ASP 39 -5.852 0.004 -4.180 289 HB3 ASP 39 1HB ASP 39 -6.645 -1.244 -3.224 290 H LEU 40 H LEU 40 -4.293 0.165 0.132 291 HA LEU 40 HA LEU 40 -5.171 -2.385 1.209 292 HB2 LEU 40 2HB LEU 40 -3.730 -0.043 2.445 293 HB3 LEU 40 1HB LEU 40 -4.187 -1.481 3.339 294 HG LEU 40 HG LEU 40 -2.370 -1.518 0.931 295 HD11 LEU 40 1HD1 LEU 40 -1.668 -0.310 3.196 296 HD12 LEU 40 2HD1 LEU 40 -0.540 -1.279 2.248 297 HD13 LEU 40 3HD1 LEU 40 -1.327 -1.976 3.663 298 HD21 LEU 40 3HD2 LEU 40 -2.204 -3.747 1.204 299 HD22 LEU 40 1HD2 LEU 40 -3.776 -3.568 1.985 300 HD23 LEU 40 2HD2 LEU 40 -2.310 -3.647 2.962 301 H ASN 41 H ASN 41 -6.228 0.916 1.091 302 HA ASN 41 HA ASN 41 -8.233 0.428 3.167 303 HB2 ASN 41 2HB ASN 41 -8.649 2.826 3.106 304 HB3 ASN 41 1HB ASN 41 -6.926 2.518 3.294 305 HD21 ASN 41 1HD2 ASN 41 -7.174 4.884 2.562 306 HD22 ASN 41 2HD2 ASN 41 -7.001 5.151 0.864 307 H GLU 42 H GLU 42 -7.924 0.271 -0.187 308 HA GLU 42 HA GLU 42 -9.411 -0.059 -1.874 309 HB2 GLU 42 2HB GLU 42 -11.449 -0.360 0.339 310 HB3 GLU 42 1HB GLU 42 -11.632 -0.900 -1.324 311 HG2 GLU 42 2HG GLU 42 -9.319 -2.141 -0.554 312 HG3 GLU 42 1HG GLU 42 -10.280 -2.167 0.923 313 H ASP 43 H ASP 43 -8.844 2.596 -1.057 314 HA ASP 43 HA ASP 43 -11.281 4.112 -0.998 315 HB2 ASP 43 2HB ASP 43 -9.790 6.075 -1.186 316 HB3 ASP 43 1HB ASP 43 -9.286 4.978 0.096 317 H GLY 44 H GLY 44 -9.397 2.682 -3.462 318 HA2 GLY 44 2HA GLY 44 -10.250 2.529 -5.687 319 HA3 GLY 44 1HA GLY 44 -11.006 4.100 -5.470 320 H ARG 45 H ARG 45 -8.215 4.812 -4.186 321 HA ARG 45 HA ARG 45 -6.668 5.033 -6.655 322 HB2 ARG 45 2HB ARG 45 -6.287 7.444 -6.276 323 HB3 ARG 45 1HB ARG 45 -7.975 7.077 -6.608 324 HG2 ARG 45 2HG ARG 45 -8.312 7.076 -4.091 325 HG3 ARG 45 1HG ARG 45 -6.708 7.805 -3.988 326 HD2 ARG 45 2HD ARG 45 -9.203 8.911 -5.237 327 HD3 ARG 45 1HD ARG 45 -8.192 9.618 -3.980 328 HE ARG 45 HE ARG 45 -6.677 10.322 -5.605 329 HH11 ARG 45 1HH1 ARG 45 -9.292 8.498 -7.041 330 HH12 ARG 45 2HH1 ARG 45 -8.941 9.031 -8.649 331 HH21 ARG 45 1HH2 ARG 45 -6.223 11.019 -7.721 332 HH22 ARG 45 2HH2 ARG 45 -7.201 10.458 -9.037 333 H VAL 46 H VAL 46 -4.474 5.104 -6.359 334 HA VAL 46 HA VAL 46 -3.523 4.356 -3.733 335 HB VAL 46 HB VAL 46 -1.890 4.791 -6.236 336 HG11 VAL 46 1HG1 VAL 46 -0.985 4.501 -3.721 337 HG12 VAL 46 2HG1 VAL 46 -0.123 3.905 -5.141 338 HG13 VAL 46 3HG1 VAL 46 -1.124 2.807 -4.190 339 HG21 VAL 46 3HG2 VAL 46 -2.896 2.131 -5.272 340 HG22 VAL 46 1HG2 VAL 46 -2.210 2.552 -6.842 341 HG23 VAL 46 2HG2 VAL 46 -3.822 3.117 -6.405 342 H ASN 47 H ASN 47 -3.557 6.105 -2.392 343 HA ASN 47 HA ASN 47 -2.047 8.484 -3.244 344 HB2 ASN 47 2HB ASN 47 -3.274 9.529 -1.213 345 HB3 ASN 47 1HB ASN 47 -4.185 9.250 -2.693 346 HD21 ASN 47 1HD2 ASN 47 -6.177 8.905 -1.947 347 HD22 ASN 47 2HD2 ASN 47 -6.615 7.668 -0.822 348 H SER 48 H SER 48 -1.266 9.688 -1.082 349 HA SER 48 HA SER 48 0.909 8.223 -0.123 350 HB2 SER 48 2HB SER 48 0.903 10.085 1.702 351 HB3 SER 48 1HB SER 48 1.171 10.539 0.019 352 HG SER 48 HG SER 48 -0.368 11.914 0.755 353 H THR 49 H THR 49 -2.348 8.558 1.083 354 HA THR 49 HA THR 49 -1.999 7.670 3.708 355 HB THR 49 HB THR 49 -4.382 7.116 1.929 356 HG1 THR 49 1HG THR 49 -4.036 9.290 1.848 357 HG21 THR 49 3HG2 THR 49 -4.969 7.856 4.642 358 HG22 THR 49 1HG2 THR 49 -3.949 6.418 4.585 359 HG23 THR 49 2HG2 THR 49 -5.485 6.443 3.721 360 H ASP 50 H ASP 50 -2.708 5.822 0.754 361 HA ASP 50 HA ASP 50 -2.816 3.286 1.942 362 HB2 ASP 50 2HB ASP 50 -1.885 3.941 -0.862 363 HB3 ASP 50 1HB ASP 50 -2.515 2.397 -0.298 364 H LEU 51 H LEU 51 -0.108 5.168 0.696 365 HA LEU 51 HA LEU 51 1.857 3.164 0.833 366 HB2 LEU 51 2HB LEU 51 2.257 5.210 -0.379 367 HB3 LEU 51 1HB LEU 51 2.068 6.164 1.080 368 HG LEU 51 HG LEU 51 4.120 5.146 1.999 369 HD11 LEU 51 1HD1 LEU 51 4.022 3.016 0.814 370 HD12 LEU 51 2HD1 LEU 51 5.569 3.822 0.556 371 HD13 LEU 51 3HD1 LEU 51 4.341 3.844 -0.709 372 HD21 LEU 51 3HD2 LEU 51 5.667 6.374 0.654 373 HD22 LEU 51 1HD2 LEU 51 4.143 7.263 0.675 374 HD23 LEU 51 2HD2 LEU 51 4.589 6.309 -0.740 375 H GLY 52 H GLY 52 0.558 5.368 3.243 376 HA2 GLY 52 2HA GLY 52 2.525 4.744 5.237 377 HA3 GLY 52 1HA GLY 52 1.022 5.617 5.493 378 H ILE 53 H ILE 53 -0.551 3.403 4.294 379 HA ILE 53 HA ILE 53 -0.953 1.916 6.713 380 HB ILE 53 HB ILE 53 -2.219 1.438 4.013 381 HG12 ILE 53 2HG1 ILE 53 -3.653 2.907 6.163 382 HG13 ILE 53 1HG1 ILE 53 -2.389 3.785 5.308 383 HG21 ILE 53 1HG2 ILE 53 -2.407 -0.381 5.707 384 HG22 ILE 53 2HG2 ILE 53 -3.953 0.307 5.213 385 HG23 ILE 53 3HG2 ILE 53 -3.243 0.756 6.763 386 HD11 ILE 53 3HD1 ILE 53 -3.813 4.204 3.676 387 HD12 ILE 53 1HD1 ILE 53 -5.058 3.266 4.502 388 HD13 ILE 53 2HD1 ILE 53 -3.965 2.473 3.367 389 H LEU 54 H LEU 54 0.634 1.360 3.657 390 HA LEU 54 HA LEU 54 0.816 -1.468 3.857 391 HB2 LEU 54 2HB LEU 54 1.074 -0.221 1.741 392 HB3 LEU 54 1HB LEU 54 2.577 0.457 2.338 393 HG LEU 54 HG LEU 54 3.214 -2.110 2.594 394 HD11 LEU 54 1HD1 LEU 54 1.465 -3.342 1.858 395 HD12 LEU 54 2HD1 LEU 54 2.232 -3.053 0.297 396 HD13 LEU 54 3HD1 LEU 54 0.863 -2.063 0.804 397 HD21 LEU 54 3HD2 LEU 54 4.501 -1.882 0.673 398 HD22 LEU 54 1HD2 LEU 54 4.202 -0.213 1.154 399 HD23 LEU 54 2HD2 LEU 54 3.270 -0.933 -0.159 400 H LYS 55 H LYS 55 3.311 1.045 4.306 401 HA LYS 55 HA LYS 55 5.275 -0.645 5.350 402 HB2 LYS 55 2HB LYS 55 6.304 1.423 6.250 403 HB3 LYS 55 1HB LYS 55 5.829 1.573 4.564 404 HG2 LYS 55 2HG LYS 55 3.694 2.655 5.429 405 HG3 LYS 55 1HG LYS 55 4.521 2.770 6.983 406 HD2 LYS 55 2HD LYS 55 5.567 3.896 4.387 407 HD3 LYS 55 1HD LYS 55 4.712 4.828 5.617 408 HE2 LYS 55 2HE LYS 55 6.512 4.939 6.956 409 HE3 LYS 55 1HE LYS 55 6.973 3.268 6.637 410 HZ1 LYS 55 3HZ LYS 55 7.547 4.383 4.299 411 HZ2 LYS 55 1HZ LYS 55 8.663 4.266 5.565 412 HZ3 LYS 55 2HZ LYS 55 7.819 5.710 5.312 413 H ARG 56 H ARG 56 2.642 1.077 6.928 414 HA ARG 56 HA ARG 56 3.435 0.738 9.589 415 HB2 ARG 56 2HB ARG 56 0.890 1.297 8.181 416 HB3 ARG 56 1HB ARG 56 0.747 0.664 9.815 417 HG2 ARG 56 2HG ARG 56 2.207 2.490 10.612 418 HG3 ARG 56 1HG ARG 56 2.226 3.147 8.975 419 HD2 ARG 56 2HD ARG 56 -0.339 3.123 9.165 420 HD3 ARG 56 1HD ARG 56 -0.066 2.943 10.898 421 HE ARG 56 HE ARG 56 1.385 5.129 9.734 422 HH11 ARG 56 1HH1 ARG 56 -1.672 4.141 11.095 423 HH12 ARG 56 2HH1 ARG 56 -2.128 5.746 11.557 424 HH21 ARG 56 1HH2 ARG 56 0.787 7.242 10.340 425 HH22 ARG 56 2HH2 ARG 56 -0.732 7.507 11.127 426 H TYR 57 H TYR 57 1.521 -1.359 7.469 427 HA TYR 57 HA TYR 57 0.973 -3.321 9.446 428 HB2 TYR 57 2HB TYR 57 -0.363 -3.068 7.381 429 HB3 TYR 57 1HB TYR 57 1.017 -3.615 6.434 430 HD1 TYR 57 1HD TYR 57 -1.411 -4.669 9.031 431 HD2 TYR 57 2HD TYR 57 1.439 -5.914 6.129 432 HE1 TYR 57 1HE TYR 57 -2.151 -6.997 9.314 433 HE2 TYR 57 2HE TYR 57 0.707 -8.246 6.402 434 HH TYR 57 HH TYR 57 -1.208 -9.284 8.964 435 H ILE 58 H ILE 58 3.634 -2.761 7.264 436 HA ILE 58 HA ILE 58 4.800 -5.373 7.709 437 HB ILE 58 HB ILE 58 6.078 -2.985 6.377 438 HG12 ILE 58 2HG1 ILE 58 4.710 -5.241 4.931 439 HG13 ILE 58 1HG1 ILE 58 3.812 -3.813 5.435 440 HG21 ILE 58 1HG2 ILE 58 7.825 -4.299 5.959 441 HG22 ILE 58 2HG2 ILE 58 6.793 -5.614 5.398 442 HG23 ILE 58 3HG2 ILE 58 7.139 -5.438 7.118 443 HD11 ILE 58 3HD1 ILE 58 6.312 -3.371 3.921 444 HD12 ILE 58 1HD1 ILE 58 4.787 -2.487 3.883 445 HD13 ILE 58 2HD1 ILE 58 4.932 -4.032 3.045 446 H LEU 59 H LEU 59 5.001 -2.200 9.083 447 HA LEU 59 HA LEU 59 7.478 -2.836 10.493 448 HB2 LEU 59 2HB LEU 59 6.006 -0.384 9.819 449 HB3 LEU 59 1HB LEU 59 6.714 -0.385 11.423 450 HG LEU 59 HG LEU 59 8.184 0.651 9.739 451 HD11 LEU 59 1HD1 LEU 59 10.051 -0.115 10.744 452 HD12 LEU 59 2HD1 LEU 59 9.664 -1.804 10.423 453 HD13 LEU 59 3HD1 LEU 59 8.893 -0.964 11.767 454 HD21 LEU 59 3HD2 LEU 59 7.867 -0.384 7.719 455 HD22 LEU 59 1HD2 LEU 59 7.819 -1.998 8.427 456 HD23 LEU 59 2HD2 LEU 59 9.360 -1.160 8.246 457 H LYS 60 H LYS 60 4.809 -4.125 11.038 458 HA LYS 60 HA LYS 60 3.560 -4.803 12.815 459 HB2 LYS 60 2HB LYS 60 6.079 -3.957 14.250 460 HB3 LYS 60 1HB LYS 60 4.760 -4.823 15.026 461 HG2 LYS 60 2HG LYS 60 5.670 -6.108 12.580 462 HG3 LYS 60 1HG LYS 60 6.938 -5.953 13.796 463 HD2 LYS 60 2HD LYS 60 4.898 -6.800 15.341 464 HD3 LYS 60 1HD LYS 60 4.478 -7.580 13.816 465 HE2 LYS 60 2HE LYS 60 7.308 -7.795 14.538 466 HE3 LYS 60 1HE LYS 60 6.211 -8.580 15.674 467 HZ1 LYS 60 3HZ LYS 60 5.274 -9.856 13.881 468 HZ2 LYS 60 1HZ LYS 60 6.954 -10.062 13.884 469 HZ3 LYS 60 2HZ LYS 60 6.228 -9.048 12.742 470 H GLU 61 H GLU 61 3.030 -2.186 11.920 471 HA GLU 61 HA GLU 61 2.552 -0.668 14.385 472 HB2 GLU 61 2HB GLU 61 2.183 0.222 11.520 473 HB3 GLU 61 1HB GLU 61 2.113 1.239 12.953 474 HG2 GLU 61 2HG GLU 61 4.606 -0.271 12.624 475 HG3 GLU 61 1HG GLU 61 4.291 0.940 11.382 476 H ILE 62 H ILE 62 0.902 -2.152 11.653 477 HA ILE 62 HA ILE 62 -1.625 -1.900 13.137 478 HB ILE 62 HB ILE 62 -2.828 -1.603 10.987 479 HG12 ILE 62 2HG1 ILE 62 -0.045 -1.173 9.876 480 HG13 ILE 62 1HG1 ILE 62 -1.111 -2.522 9.492 481 HG21 ILE 62 1HG2 ILE 62 -2.556 0.352 12.253 482 HG22 ILE 62 2HG2 ILE 62 -2.038 0.794 10.627 483 HG23 ILE 62 3HG2 ILE 62 -0.838 0.461 11.875 484 HD11 ILE 62 3HD1 ILE 62 -2.090 -1.353 7.894 485 HD12 ILE 62 1HD1 ILE 62 -0.902 -0.079 8.164 486 HD13 ILE 62 2HD1 ILE 62 -2.450 -0.034 9.007 487 H ASP 63 H ASP 63 -2.906 -3.683 13.144 488 HA ASP 63 HA ASP 63 -1.886 -6.037 11.700 489 HB2 ASP 63 2HB ASP 63 -2.202 -5.765 14.390 490 HB3 ASP 63 1HB ASP 63 -3.748 -6.480 13.943 491 H THR 64 H THR 64 -4.599 -3.961 12.147 492 HA THR 64 HA THR 64 -6.561 -5.794 11.126 493 HB THR 64 HB THR 64 -6.805 -2.791 11.295 494 HG1 THR 64 1HG THR 64 -7.336 -4.690 13.332 495 HG21 THR 64 3HG2 THR 64 -8.594 -4.395 10.223 496 HG22 THR 64 1HG2 THR 64 -9.061 -3.034 11.241 497 HG23 THR 64 2HG2 THR 64 -9.017 -4.663 11.915 498 H LEU 65 H LEU 65 -6.935 -6.265 9.070 499 HA LEU 65 HA LEU 65 -6.460 -4.286 6.993 500 HB2 LEU 65 2HB LEU 65 -4.437 -5.966 7.492 501 HB3 LEU 65 1HB LEU 65 -5.374 -6.988 6.422 502 HG LEU 65 HG LEU 65 -5.221 -5.351 4.645 503 HD11 LEU 65 1HD1 LEU 65 -4.629 -3.565 6.787 504 HD12 LEU 65 2HD1 LEU 65 -4.948 -3.197 5.092 505 HD13 LEU 65 3HD1 LEU 65 -3.301 -3.527 5.628 506 HD21 LEU 65 3HD2 LEU 65 -3.250 -6.962 5.403 507 HD22 LEU 65 1HD2 LEU 65 -2.417 -5.420 5.604 508 HD23 LEU 65 2HD2 LEU 65 -3.092 -5.860 4.035 509 HA PRO 66 HA PRO 66 -6.683 -4.110 4.864 510 HB2 PRO 66 2HB PRO 66 -8.610 -3.008 3.349 511 HB3 PRO 66 1HB PRO 66 -7.781 -4.496 2.872 512 HG2 PRO 66 2HG PRO 66 -10.469 -4.145 4.137 513 HG3 PRO 66 1HG PRO 66 -9.978 -5.238 2.831 514 HD2 PRO 66 2HD PRO 66 -10.256 -6.010 5.445 515 HD3 PRO 66 1HD PRO 66 -9.178 -6.812 4.285 516 H TYR 67 H TYR 67 -6.933 -1.718 4.816 517 HA TYR 67 HA TYR 67 -7.838 -0.767 7.340 518 HB2 TYR 67 2HB TYR 67 -5.875 0.182 6.190 519 HB3 TYR 67 1HB TYR 67 -6.923 0.789 4.913 520 HD1 TYR 67 1HD TYR 67 -6.478 0.993 8.615 521 HD2 TYR 67 2HD TYR 67 -7.708 2.963 5.052 522 HE1 TYR 67 1HE TYR 67 -6.808 3.072 9.886 523 HE2 TYR 67 2HE TYR 67 -8.040 5.048 6.311 524 HH TYR 67 HH TYR 67 -7.062 6.038 8.527 525 H LYS 68 H LYS 68 -9.417 0.868 7.740 526 HA LYS 68 HA LYS 68 -11.433 1.263 5.655 527 HB2 LYS 68 2HB LYS 68 -12.080 0.293 8.446 528 HB3 LYS 68 1HB LYS 68 -13.254 0.715 7.207 529 HG2 LYS 68 2HG LYS 68 -11.218 -1.474 6.882 530 HG3 LYS 68 1HG LYS 68 -12.846 -1.734 7.513 531 HD2 LYS 68 2HD LYS 68 -13.837 -1.383 5.485 532 HD3 LYS 68 1HD LYS 68 -12.575 -0.277 4.938 533 HE2 LYS 68 2HE LYS 68 -11.046 -2.188 4.674 534 HE3 LYS 68 1HE LYS 68 -12.339 -3.276 5.174 535 HZ1 LYS 68 3HZ LYS 68 -13.540 -1.979 3.195 536 HZ2 LYS 68 1HZ LYS 68 -12.659 -3.404 2.963 537 HZ3 LYS 68 2HZ LYS 68 -11.943 -1.907 2.642 538 H ASN 69 H ASN 69 -10.726 3.416 5.552 539 HA ASN 69 HA ASN 69 -10.444 5.129 7.760 540 HB2 ASN 69 2HB ASN 69 -9.711 5.456 5.293 541 HB3 ASN 69 1HB ASN 69 -11.334 6.099 5.056 542 HD21 ASN 69 1HD2 ASN 69 -9.051 7.606 4.645 543 HD22 ASN 69 2HD2 ASN 69 -8.986 8.861 5.831 Start of MODEL 13 1 H1 SER 1 1HT SER 1 1.266 -14.720 -10.142 2 H2 SER 1 2HT SER 1 2.715 -14.280 -9.334 3 H3 SER 1 3HT SER 1 1.554 -13.081 -9.732 4 HA SER 1 HA SER 1 1.146 -15.321 -7.868 5 HB2 SER 1 2HB SER 1 2.175 -12.551 -7.586 6 HB3 SER 1 1HB SER 1 1.008 -13.074 -6.372 7 HG SER 1 HG SER 1 3.392 -14.449 -7.069 8 H THR 2 H THR 2 -0.634 -14.206 -6.244 9 HA THR 2 HA THR 2 -2.907 -13.587 -8.010 10 HB THR 2 HB THR 2 -3.163 -15.700 -6.828 11 HG1 THR 2 1HG THR 2 -4.813 -13.761 -5.590 12 HG21 THR 2 3HG2 THR 2 -1.897 -14.434 -4.694 13 HG22 THR 2 1HG2 THR 2 -2.564 -16.066 -4.735 14 HG23 THR 2 2HG2 THR 2 -3.553 -14.724 -4.160 15 H LYS 3 H LYS 3 -4.619 -12.219 -7.043 16 HA LYS 3 HA LYS 3 -3.606 -9.756 -6.194 17 HB2 LYS 3 2HB LYS 3 -6.170 -10.874 -6.835 18 HB3 LYS 3 1HB LYS 3 -6.312 -9.905 -5.374 19 HG2 LYS 3 2HG LYS 3 -5.726 -7.953 -6.449 20 HG3 LYS 3 1HG LYS 3 -4.892 -8.799 -7.754 21 HD2 LYS 3 2HD LYS 3 -7.407 -9.736 -8.081 22 HD3 LYS 3 1HD LYS 3 -7.743 -8.124 -7.448 23 HE2 LYS 3 2HE LYS 3 -5.834 -7.542 -9.260 24 HE3 LYS 3 1HE LYS 3 -6.573 -8.948 -10.026 25 HZ1 LYS 3 3HZ LYS 3 -8.653 -7.885 -10.095 26 HZ2 LYS 3 1HZ LYS 3 -7.543 -6.716 -10.612 27 HZ3 LYS 3 2HZ LYS 3 -8.167 -6.654 -9.042 28 H LEU 4 H LEU 4 -2.365 -9.837 -4.366 29 HA LEU 4 HA LEU 4 -3.673 -10.771 -1.900 30 HB2 LEU 4 2HB LEU 4 -1.194 -11.416 -2.925 31 HB3 LEU 4 1HB LEU 4 -0.814 -10.185 -1.736 32 HG LEU 4 HG LEU 4 -2.510 -11.794 -0.319 33 HD11 LEU 4 1HD1 LEU 4 -2.776 -13.629 -1.634 34 HD12 LEU 4 2HD1 LEU 4 -1.275 -14.086 -0.831 35 HD13 LEU 4 3HD1 LEU 4 -1.232 -13.403 -2.456 36 HD21 LEU 4 3HD2 LEU 4 -0.613 -11.162 0.790 37 HD22 LEU 4 1HD2 LEU 4 0.445 -11.559 -0.564 38 HD23 LEU 4 2HD2 LEU 4 -0.216 -12.845 0.445 39 H TYR 5 H TYR 5 -3.216 -9.532 0.070 40 HA TYR 5 HA TYR 5 -3.465 -6.691 -0.456 41 HB2 TYR 5 2HB TYR 5 -3.585 -8.209 2.158 42 HB3 TYR 5 1HB TYR 5 -3.999 -6.512 1.935 43 HD1 TYR 5 2HD TYR 5 -5.921 -5.986 0.298 44 HD2 TYR 5 1HD TYR 5 -5.221 -9.855 1.923 45 HE1 TYR 5 2HE TYR 5 -8.241 -6.616 -0.219 46 HE2 TYR 5 1HE TYR 5 -7.539 -10.496 1.409 47 HH TYR 5 HH TYR 5 -9.334 -9.585 -0.445 48 H GLY 6 H GLY 6 -1.692 -5.500 -0.666 49 HA2 GLY 6 2HA GLY 6 0.161 -4.403 0.380 50 HA3 GLY 6 1HA GLY 6 0.475 -5.875 1.287 51 H ASP 7 H ASP 7 0.138 -7.543 -1.137 52 HA ASP 7 HA ASP 7 2.856 -7.521 -1.984 53 HB2 ASP 7 2HB ASP 7 1.549 -9.599 -1.809 54 HB3 ASP 7 1HB ASP 7 0.491 -9.044 -3.102 55 H VAL 8 H VAL 8 3.222 -5.499 -2.937 56 HA VAL 8 HA VAL 8 1.643 -4.650 -5.200 57 HB VAL 8 HB VAL 8 3.379 -2.824 -5.365 58 HG11 VAL 8 1HG1 VAL 8 2.034 -3.121 -2.681 59 HG12 VAL 8 2HG1 VAL 8 1.238 -2.578 -4.159 60 HG13 VAL 8 3HG1 VAL 8 2.534 -1.615 -3.451 61 HG21 VAL 8 3HG2 VAL 8 4.333 -3.450 -2.645 62 HG22 VAL 8 1HG2 VAL 8 5.179 -2.712 -4.005 63 HG23 VAL 8 2HG2 VAL 8 4.970 -4.463 -3.941 64 H ASN 9 H ASN 9 4.672 -6.297 -4.646 65 HA ASN 9 HA ASN 9 5.537 -6.029 -7.391 66 HB2 ASN 9 2HB ASN 9 7.406 -7.508 -6.680 67 HB3 ASN 9 1HB ASN 9 7.236 -6.076 -5.669 68 HD21 ASN 9 1HD2 ASN 9 8.131 -6.863 -3.839 69 HD22 ASN 9 2HD2 ASN 9 7.469 -8.168 -2.921 70 H ASP 10 H ASP 10 3.348 -8.000 -5.788 71 HA ASP 10 HA ASP 10 2.224 -9.891 -6.357 72 HB2 ASP 10 2HB ASP 10 2.263 -8.535 -8.592 73 HB3 ASP 10 1HB ASP 10 3.398 -9.775 -9.115 74 H ASP 11 H ASP 11 4.405 -10.478 -4.982 75 HA ASP 11 HA ASP 11 5.796 -12.610 -6.450 76 HB2 ASP 11 2HB ASP 11 7.497 -12.514 -4.704 77 HB3 ASP 11 1HB ASP 11 7.235 -10.912 -5.386 78 H GLY 12 H GLY 12 3.424 -12.056 -4.057 79 HA2 GLY 12 2HA GLY 12 2.014 -13.783 -3.257 80 HA3 GLY 12 1HA GLY 12 3.313 -14.935 -3.528 81 H LYS 13 H LYS 13 4.122 -11.978 -1.951 82 HA LYS 13 HA LYS 13 3.603 -12.812 0.721 83 HB2 LYS 13 2HB LYS 13 5.608 -14.250 -0.164 84 HB3 LYS 13 1HB LYS 13 6.532 -12.777 0.097 85 HG2 LYS 13 2HG LYS 13 6.792 -14.052 2.050 86 HG3 LYS 13 1HG LYS 13 5.631 -12.787 2.459 87 HD2 LYS 13 2HD LYS 13 4.433 -15.252 1.410 88 HD3 LYS 13 1HD LYS 13 5.277 -15.443 2.947 89 HE2 LYS 13 2HE LYS 13 3.548 -13.076 2.773 90 HE3 LYS 13 1HE LYS 13 2.700 -14.619 2.685 91 HZ1 LYS 13 3HZ LYS 13 3.290 -13.453 4.970 92 HZ2 LYS 13 1HZ LYS 13 4.721 -14.335 4.770 93 HZ3 LYS 13 2HZ LYS 13 3.230 -15.135 4.808 94 H VAL 14 H VAL 14 3.854 -11.149 2.154 95 HA VAL 14 HA VAL 14 4.394 -8.547 1.013 96 HB VAL 14 HB VAL 14 3.692 -9.198 3.877 97 HG11 VAL 14 1HG1 VAL 14 3.158 -6.945 4.140 98 HG12 VAL 14 2HG1 VAL 14 3.088 -6.660 2.401 99 HG13 VAL 14 3HG1 VAL 14 4.644 -6.910 3.191 100 HG21 VAL 14 3HG2 VAL 14 1.854 -10.069 2.814 101 HG22 VAL 14 1HG2 VAL 14 1.999 -8.981 1.434 102 HG23 VAL 14 2HG2 VAL 14 1.366 -8.382 2.968 103 H ASN 15 H ASN 15 6.534 -8.203 0.705 104 HA ASN 15 HA ASN 15 8.325 -8.606 3.007 105 HB2 ASN 15 2HB ASN 15 8.719 -9.764 0.688 106 HB3 ASN 15 1HB ASN 15 9.333 -8.182 0.216 107 HD21 ASN 15 1HD2 ASN 15 10.883 -10.486 0.251 108 HD22 ASN 15 2HD2 ASN 15 12.098 -10.319 1.466 109 H SER 16 H SER 16 10.241 -7.031 2.964 110 HA SER 16 HA SER 16 9.288 -4.433 3.373 111 HB2 SER 16 2HB SER 16 11.561 -5.716 4.051 112 HB3 SER 16 1HB SER 16 12.165 -4.735 2.716 113 HG SER 16 HG SER 16 10.636 -3.655 4.838 114 H THR 17 H THR 17 10.591 -5.990 0.536 115 HA THR 17 HA THR 17 11.263 -3.755 -0.995 116 HB THR 17 HB THR 17 10.138 -6.402 -1.935 117 HG1 THR 17 1HG THR 17 12.361 -6.919 -2.180 118 HG21 THR 17 3HG2 THR 17 10.673 -4.151 -3.467 119 HG22 THR 17 1HG2 THR 17 10.484 -5.810 -4.036 120 HG23 THR 17 2HG2 THR 17 12.090 -5.183 -3.662 121 H ASP 18 H ASP 18 8.163 -5.184 -0.268 122 HA ASP 18 HA ASP 18 6.646 -3.961 -2.302 123 HB2 ASP 18 2HB ASP 18 5.940 -5.038 0.421 124 HB3 ASP 18 1HB ASP 18 4.727 -4.307 -0.625 125 H ALA 19 H ALA 19 7.759 -2.841 0.821 126 HA ALA 19 HA ALA 19 6.087 -0.538 0.947 127 HB1 ALA 19 1HB ALA 19 7.613 -1.815 2.758 128 HB2 ALA 19 2HB ALA 19 7.043 -0.157 2.957 129 HB3 ALA 19 3HB ALA 19 8.674 -0.464 2.361 130 H VAL 20 H VAL 20 9.549 -0.943 0.186 131 HA VAL 20 HA VAL 20 10.051 1.724 -0.495 132 HB VAL 20 HB VAL 20 11.841 0.093 -0.087 133 HG11 VAL 20 1HG1 VAL 20 11.104 -1.051 -2.778 134 HG12 VAL 20 2HG1 VAL 20 10.816 -1.826 -1.220 135 HG13 VAL 20 3HG1 VAL 20 12.468 -1.541 -1.772 136 HG21 VAL 20 3HG2 VAL 20 11.904 2.178 -1.801 137 HG22 VAL 20 1HG2 VAL 20 12.449 0.876 -2.860 138 HG23 VAL 20 2HG2 VAL 20 13.318 1.219 -1.364 139 H ALA 21 H ALA 21 8.895 -0.987 -2.439 140 HA ALA 21 HA ALA 21 9.091 0.201 -4.967 141 HB1 ALA 21 1HB ALA 21 6.834 -1.645 -4.340 142 HB2 ALA 21 2HB ALA 21 8.492 -2.239 -4.241 143 HB3 ALA 21 3HB ALA 21 7.878 -1.584 -5.760 144 H LEU 22 H LEU 22 6.425 0.193 -2.623 145 HA LEU 22 HA LEU 22 4.599 1.637 -4.214 146 HB2 LEU 22 2HB LEU 22 4.007 0.314 -2.195 147 HB3 LEU 22 1HB LEU 22 4.768 1.542 -1.202 148 HG LEU 22 HG LEU 22 3.125 3.198 -1.997 149 HD11 LEU 22 1HD1 LEU 22 2.270 0.896 -3.675 150 HD12 LEU 22 2HD1 LEU 22 2.385 2.610 -4.078 151 HD13 LEU 22 3HD1 LEU 22 1.044 2.023 -3.093 152 HD21 LEU 22 3HD2 LEU 22 2.806 1.515 -0.017 153 HD22 LEU 22 1HD2 LEU 22 1.524 0.872 -1.042 154 HD23 LEU 22 2HD2 LEU 22 1.479 2.558 -0.528 155 H LYS 23 H LYS 23 7.192 2.625 -2.083 156 HA LYS 23 HA LYS 23 6.509 5.318 -1.744 157 HB2 LYS 23 2HB LYS 23 8.775 3.633 -1.223 158 HB3 LYS 23 1HB LYS 23 9.331 5.152 -1.912 159 HG2 LYS 23 2HG LYS 23 7.567 6.072 -0.098 160 HG3 LYS 23 1HG LYS 23 8.102 4.593 0.700 161 HD2 LYS 23 2HD LYS 23 10.480 5.409 0.151 162 HD3 LYS 23 1HD LYS 23 9.722 6.977 -0.133 163 HE2 LYS 23 2HE LYS 23 9.387 5.405 2.413 164 HE3 LYS 23 1HE LYS 23 10.641 6.623 2.182 165 HZ1 LYS 23 3HZ LYS 23 8.512 7.368 3.293 166 HZ2 LYS 23 1HZ LYS 23 7.772 7.229 1.777 167 HZ3 LYS 23 2HZ LYS 23 9.052 8.313 1.998 168 H ARG 24 H ARG 24 8.437 3.726 -4.260 169 HA ARG 24 HA ARG 24 9.188 6.042 -5.655 170 HB2 ARG 24 2HB ARG 24 8.690 3.330 -6.885 171 HB3 ARG 24 1HB ARG 24 9.771 4.588 -7.472 172 HG2 ARG 24 2HG ARG 24 10.514 3.933 -4.805 173 HG3 ARG 24 1HG ARG 24 10.347 2.439 -5.730 174 HD2 ARG 24 2HD ARG 24 12.631 3.420 -5.802 175 HD3 ARG 24 1HD ARG 24 11.889 3.220 -7.388 176 HE ARG 24 HE ARG 24 11.266 5.767 -6.740 177 HH11 ARG 24 1HH1 ARG 24 14.271 3.993 -6.792 178 HH12 ARG 24 2HH1 ARG 24 15.232 5.388 -7.157 179 HH21 ARG 24 1HH2 ARG 24 12.528 7.601 -7.220 180 HH22 ARG 24 2HH2 ARG 24 14.243 7.436 -7.399 181 H TYR 25 H TYR 25 6.337 3.974 -5.910 182 HA TYR 25 HA TYR 25 5.246 5.168 -8.220 183 HB2 TYR 25 2HB TYR 25 4.559 2.960 -7.212 184 HB3 TYR 25 1HB TYR 25 3.694 3.868 -5.977 185 HD1 TYR 25 2HD TYR 25 1.817 5.408 -6.705 186 HD2 TYR 25 1HD TYR 25 3.582 2.547 -9.313 187 HE1 TYR 25 2HE TYR 25 -0.148 5.545 -8.177 188 HE2 TYR 25 1HE TYR 25 1.622 2.677 -10.792 189 HH TYR 25 HH TYR 25 -0.727 3.312 -10.686 190 H VAL 26 H VAL 26 4.730 5.782 -4.767 191 HA VAL 26 HA VAL 26 2.833 7.874 -5.191 192 HB VAL 26 HB VAL 26 4.482 7.369 -2.713 193 HG11 VAL 26 1HG1 VAL 26 3.487 9.326 -2.182 194 HG12 VAL 26 2HG1 VAL 26 2.107 8.281 -1.843 195 HG13 VAL 26 3HG1 VAL 26 2.213 9.130 -3.386 196 HG21 VAL 26 3HG2 VAL 26 2.911 5.821 -1.969 197 HG22 VAL 26 1HG2 VAL 26 3.115 5.402 -3.670 198 HG23 VAL 26 2HG2 VAL 26 1.707 6.328 -3.153 199 H LEU 27 H LEU 27 6.269 7.706 -5.226 200 HA LEU 27 HA LEU 27 6.704 10.491 -4.638 201 HB2 LEU 27 2HB LEU 27 8.324 8.595 -4.172 202 HB3 LEU 27 1HB LEU 27 8.656 8.575 -5.893 203 HG LEU 27 HG LEU 27 9.354 10.983 -5.705 204 HD11 LEU 27 1HD1 LEU 27 9.786 10.678 -2.809 205 HD12 LEU 27 2HD1 LEU 27 8.118 10.959 -3.311 206 HD13 LEU 27 3HD1 LEU 27 9.378 12.109 -3.755 207 HD21 LEU 27 3HD2 LEU 27 11.490 10.345 -5.371 208 HD22 LEU 27 1HD2 LEU 27 10.786 8.729 -5.376 209 HD23 LEU 27 2HD2 LEU 27 11.126 9.538 -3.847 210 H ARG 28 H ARG 28 5.383 9.034 -7.256 211 HA ARG 28 HA ARG 28 4.945 9.720 -9.377 212 HB2 ARG 28 2HB ARG 28 5.717 12.139 -7.979 213 HB3 ARG 28 1HB ARG 28 6.184 12.214 -9.672 214 HG2 ARG 28 2HG ARG 28 4.078 12.459 -10.358 215 HG3 ARG 28 1HG ARG 28 3.479 11.207 -9.268 216 HD2 ARG 28 2HD ARG 28 2.441 13.130 -8.482 217 HD3 ARG 28 1HD ARG 28 3.835 12.966 -7.416 218 HE ARG 28 HE ARG 28 4.522 14.587 -9.610 219 HH11 ARG 28 1HH1 ARG 28 2.564 14.654 -6.722 220 HH12 ARG 28 2HH1 ARG 28 2.678 16.372 -6.535 221 HH21 ARG 28 1HH2 ARG 28 4.673 16.846 -9.366 222 HH22 ARG 28 2HH2 ARG 28 3.875 17.616 -8.035 223 H SER 29 H SER 29 7.296 8.199 -8.793 224 HA SER 29 HA SER 29 9.444 9.227 -10.418 225 HB2 SER 29 2HB SER 29 9.049 6.481 -9.200 226 HB3 SER 29 1HB SER 29 10.537 7.070 -9.941 227 HG SER 29 HG SER 29 9.294 8.402 -7.777 228 H GLY 30 H GLY 30 6.879 6.825 -10.743 229 HA2 GLY 30 2HA GLY 30 5.871 6.448 -12.897 230 HA3 GLY 30 1HA GLY 30 7.434 6.764 -13.636 231 H ILE 31 H ILE 31 6.722 4.668 -10.876 232 HA ILE 31 HA ILE 31 8.000 2.460 -12.303 233 HB ILE 31 HB ILE 31 8.803 2.959 -10.042 234 HG12 ILE 31 2HG1 ILE 31 7.334 0.345 -9.841 235 HG13 ILE 31 1HG1 ILE 31 8.591 0.568 -11.054 236 HG21 ILE 31 1HG2 ILE 31 5.939 2.871 -9.440 237 HG22 ILE 31 2HG2 ILE 31 7.248 3.726 -8.624 238 HG23 ILE 31 3HG2 ILE 31 6.956 2.022 -8.275 239 HD11 ILE 31 3HD1 ILE 31 9.763 -0.368 -9.321 240 HD12 ILE 31 1HD1 ILE 31 8.819 0.467 -8.087 241 HD13 ILE 31 2HD1 ILE 31 10.020 1.352 -9.028 242 H SER 32 H SER 32 7.056 0.360 -12.376 243 HA SER 32 HA SER 32 4.129 0.452 -12.508 244 HB2 SER 32 2HB SER 32 5.734 -0.331 -14.444 245 HB3 SER 32 1HB SER 32 5.735 -1.851 -13.550 246 HG SER 32 HG SER 32 3.347 -0.517 -14.269 247 H ILE 33 H ILE 33 2.989 -0.425 -10.922 248 HA ILE 33 HA ILE 33 3.954 -2.853 -9.615 249 HB ILE 33 HB ILE 33 3.515 -2.003 -7.377 250 HG12 ILE 33 2HG1 ILE 33 3.050 0.669 -8.725 251 HG13 ILE 33 1HG1 ILE 33 1.806 -0.327 -7.977 252 HG21 ILE 33 1HG2 ILE 33 5.740 -1.619 -8.754 253 HG22 ILE 33 2HG2 ILE 33 5.548 -1.007 -7.111 254 HG23 ILE 33 3HG2 ILE 33 5.323 0.073 -8.486 255 HD11 ILE 33 3HD1 ILE 33 3.078 -0.100 -5.823 256 HD12 ILE 33 1HD1 ILE 33 2.342 1.378 -6.440 257 HD13 ILE 33 2HD1 ILE 33 4.074 1.109 -6.635 258 H ASN 34 H ASN 34 2.226 -3.737 -8.100 259 HA ASN 34 HA ASN 34 -0.253 -3.832 -9.550 260 HB2 ASN 34 2HB ASN 34 0.901 -5.266 -7.194 261 HB3 ASN 34 1HB ASN 34 -0.839 -5.327 -7.453 262 HD21 ASN 34 1HD2 ASN 34 -1.574 -6.867 -8.725 263 HD22 ASN 34 2HD2 ASN 34 -0.646 -7.767 -9.871 264 H THR 35 H THR 35 -1.359 -1.932 -9.369 265 HA THR 35 HA THR 35 -1.610 -0.440 -6.980 266 HB THR 35 HB THR 35 -3.365 0.798 -8.164 267 HG1 THR 35 1HG THR 35 -3.967 0.102 -10.255 268 HG21 THR 35 3HG2 THR 35 -1.797 1.876 -9.277 269 HG22 THR 35 1HG2 THR 35 -1.781 0.615 -10.509 270 HG23 THR 35 2HG2 THR 35 -0.722 0.489 -9.104 271 H ASP 36 H ASP 36 -3.394 -3.095 -8.354 272 HA ASP 36 HA ASP 36 -5.747 -2.885 -6.821 273 HB2 ASP 36 2HB ASP 36 -4.659 -4.669 -8.737 274 HB3 ASP 36 1HB ASP 36 -5.103 -5.634 -7.335 275 H ASN 37 H ASN 37 -2.694 -4.585 -6.281 276 HA ASN 37 HA ASN 37 -3.536 -5.654 -3.744 277 HB2 ASN 37 2HB ASN 37 -0.777 -5.527 -4.985 278 HB3 ASN 37 1HB ASN 37 -1.230 -6.482 -3.577 279 HD21 ASN 37 1HD2 ASN 37 -0.084 -7.782 -5.584 280 HD22 ASN 37 2HD2 ASN 37 -1.230 -8.741 -6.452 281 H ALA 38 H ALA 38 -1.613 -2.937 -4.880 282 HA ALA 38 HA ALA 38 -0.441 -2.160 -2.470 283 HB1 ALA 38 1HB ALA 38 -0.308 -1.247 -4.996 284 HB2 ALA 38 2HB ALA 38 0.283 -0.345 -3.601 285 HB3 ALA 38 3HB ALA 38 -1.309 0.009 -4.269 286 H ASP 39 H ASP 39 -3.578 -1.270 -3.871 287 HA ASP 39 HA ASP 39 -4.353 0.589 -1.931 288 HB2 ASP 39 2HB ASP 39 -5.463 0.014 -4.187 289 HB3 ASP 39 1HB ASP 39 -6.300 -1.255 -3.298 290 H LEU 40 H LEU 40 -4.021 0.016 0.167 291 HA LEU 40 HA LEU 40 -4.984 -2.542 1.150 292 HB2 LEU 40 2HB LEU 40 -3.592 -0.261 2.552 293 HB3 LEU 40 1HB LEU 40 -4.018 -1.783 3.309 294 HG LEU 40 HG LEU 40 -2.041 -1.386 1.065 295 HD11 LEU 40 1HD1 LEU 40 -0.391 -1.542 2.592 296 HD12 LEU 40 2HD1 LEU 40 -1.290 -2.667 3.610 297 HD13 LEU 40 3HD1 LEU 40 -1.636 -0.939 3.685 298 HD21 LEU 40 3HD2 LEU 40 -2.958 -3.922 2.415 299 HD22 LEU 40 1HD2 LEU 40 -1.600 -3.794 1.297 300 HD23 LEU 40 2HD2 LEU 40 -3.238 -3.466 0.734 301 H ASN 41 H ASN 41 -6.010 0.757 1.030 302 HA ASN 41 HA ASN 41 -8.097 0.240 3.026 303 HB2 ASN 41 2HB ASN 41 -8.434 2.648 3.092 304 HB3 ASN 41 1HB ASN 41 -6.732 2.271 3.340 305 HD21 ASN 41 1HD2 ASN 41 -7.359 4.770 2.656 306 HD22 ASN 41 2HD2 ASN 41 -6.905 5.100 1.023 307 H GLU 42 H GLU 42 -7.676 0.062 -0.262 308 HA GLU 42 HA GLU 42 -9.092 -0.109 -2.030 309 HB2 GLU 42 2HB GLU 42 -10.974 -0.530 0.274 310 HB3 GLU 42 1HB GLU 42 -11.567 -0.506 -1.380 311 HG2 GLU 42 2HG GLU 42 -9.254 -2.254 -0.859 312 HG3 GLU 42 1HG GLU 42 -10.777 -2.728 -0.109 313 H ASP 43 H ASP 43 -8.371 2.486 -1.241 314 HA ASP 43 HA ASP 43 -10.689 4.180 -1.218 315 HB2 ASP 43 2HB ASP 43 -9.040 6.023 -1.434 316 HB3 ASP 43 1HB ASP 43 -8.661 4.925 -0.111 317 H GLY 44 H GLY 44 -8.894 2.586 -3.644 318 HA2 GLY 44 2HA GLY 44 -9.630 2.455 -5.886 319 HA3 GLY 44 1HA GLY 44 -10.432 4.005 -5.688 320 H ARG 45 H ARG 45 -7.318 4.131 -4.414 321 HA ARG 45 HA ARG 45 -5.844 4.564 -6.809 322 HB2 ARG 45 2HB ARG 45 -5.554 6.972 -6.657 323 HB3 ARG 45 1HB ARG 45 -7.256 6.582 -6.858 324 HG2 ARG 45 2HG ARG 45 -7.365 6.743 -4.287 325 HG3 ARG 45 1HG ARG 45 -5.830 7.601 -4.438 326 HD2 ARG 45 2HD ARG 45 -6.964 9.459 -4.881 327 HD3 ARG 45 1HD ARG 45 -7.543 8.710 -6.368 328 HE ARG 45 HE ARG 45 -9.238 7.752 -4.490 329 HH11 ARG 45 1HH1 ARG 45 -8.202 10.969 -5.359 330 HH12 ARG 45 2HH1 ARG 45 -9.692 11.712 -4.885 331 HH21 ARG 45 1HH2 ARG 45 -11.198 8.728 -3.866 332 HH22 ARG 45 2HH2 ARG 45 -11.394 10.441 -4.037 333 H VAL 46 H VAL 46 -3.647 4.875 -6.432 334 HA VAL 46 HA VAL 46 -2.778 4.180 -3.760 335 HB VAL 46 HB VAL 46 -1.049 4.723 -6.174 336 HG11 VAL 46 1HG1 VAL 46 0.248 2.859 -4.733 337 HG12 VAL 46 2HG1 VAL 46 -0.585 3.719 -3.439 338 HG13 VAL 46 3HG1 VAL 46 0.493 4.593 -4.526 339 HG21 VAL 46 3HG2 VAL 46 -2.646 2.332 -5.403 340 HG22 VAL 46 1HG2 VAL 46 -1.063 2.090 -6.141 341 HG23 VAL 46 2HG2 VAL 46 -2.306 2.997 -7.001 342 H ASN 47 H ASN 47 -2.995 5.928 -2.433 343 HA ASN 47 HA ASN 47 -1.589 8.394 -3.219 344 HB2 ASN 47 2HB ASN 47 -2.999 9.368 -1.269 345 HB3 ASN 47 1HB ASN 47 -3.792 9.043 -2.806 346 HD21 ASN 47 1HD2 ASN 47 -5.794 8.482 -2.303 347 HD22 ASN 47 2HD2 ASN 47 -6.242 7.259 -1.168 348 H SER 48 H SER 48 -1.013 9.657 -1.028 349 HA SER 48 HA SER 48 1.175 8.317 0.083 350 HB2 SER 48 2HB SER 48 0.997 10.766 0.039 351 HB3 SER 48 1HB SER 48 -0.337 10.696 1.190 352 HG SER 48 HG SER 48 1.358 11.004 2.480 353 H THR 49 H THR 49 -2.165 8.500 1.077 354 HA THR 49 HA THR 49 -1.927 7.653 3.732 355 HB THR 49 HB THR 49 -4.210 6.830 1.954 356 HG1 THR 49 1HG THR 49 -3.570 9.414 2.900 357 HG21 THR 49 3HG2 THR 49 -5.492 7.631 4.010 358 HG22 THR 49 1HG2 THR 49 -3.940 7.554 4.845 359 HG23 THR 49 2HG2 THR 49 -4.625 6.099 4.121 360 H ASP 50 H ASP 50 -2.391 5.760 0.759 361 HA ASP 50 HA ASP 50 -2.484 3.228 1.938 362 HB2 ASP 50 2HB ASP 50 -1.369 3.946 -0.782 363 HB3 ASP 50 1HB ASP 50 -1.923 2.354 -0.272 364 H LEU 51 H LEU 51 0.263 5.156 0.823 365 HA LEU 51 HA LEU 51 2.269 3.235 1.178 366 HB2 LEU 51 2HB LEU 51 2.549 5.401 -0.005 367 HB3 LEU 51 1HB LEU 51 2.496 6.224 1.541 368 HG LEU 51 HG LEU 51 4.513 4.597 2.090 369 HD11 LEU 51 1HD1 LEU 51 4.551 3.328 0.089 370 HD12 LEU 51 2HD1 LEU 51 5.941 4.413 0.029 371 HD13 LEU 51 3HD1 LEU 51 4.495 4.779 -0.911 372 HD21 LEU 51 3HD2 LEU 51 5.825 6.437 1.950 373 HD22 LEU 51 1HD2 LEU 51 4.271 7.227 1.685 374 HD23 LEU 51 2HD2 LEU 51 5.301 6.823 0.311 375 H GLY 52 H GLY 52 0.647 5.357 3.439 376 HA2 GLY 52 2HA GLY 52 2.479 4.847 5.601 377 HA3 GLY 52 1HA GLY 52 0.936 5.679 5.715 378 H ILE 53 H ILE 53 -0.615 3.552 4.539 379 HA ILE 53 HA ILE 53 -1.144 2.039 6.881 380 HB ILE 53 HB ILE 53 -2.132 1.482 4.079 381 HG12 ILE 53 2HG1 ILE 53 -3.784 2.949 6.075 382 HG13 ILE 53 1HG1 ILE 53 -2.487 3.841 5.288 383 HG21 ILE 53 1HG2 ILE 53 -3.546 -0.033 4.948 384 HG22 ILE 53 2HG2 ILE 53 -3.836 0.920 6.404 385 HG23 ILE 53 3HG2 ILE 53 -2.392 -0.084 6.280 386 HD11 ILE 53 3HD1 ILE 53 -3.620 4.004 3.383 387 HD12 ILE 53 1HD1 ILE 53 -5.026 3.507 4.326 388 HD13 ILE 53 2HD1 ILE 53 -4.102 2.308 3.421 389 H LEU 54 H LEU 54 0.671 1.435 3.949 390 HA LEU 54 HA LEU 54 0.947 -1.372 4.287 391 HB2 LEU 54 2HB LEU 54 1.425 0.265 2.240 392 HB3 LEU 54 1HB LEU 54 3.052 0.193 2.888 393 HG LEU 54 HG LEU 54 1.809 -2.441 2.590 394 HD11 LEU 54 1HD1 LEU 54 1.007 -0.875 0.612 395 HD12 LEU 54 2HD1 LEU 54 1.498 -2.547 0.339 396 HD13 LEU 54 3HD1 LEU 54 2.624 -1.231 0.006 397 HD21 LEU 54 3HD2 LEU 54 4.039 -2.641 2.948 398 HD22 LEU 54 1HD2 LEU 54 4.418 -1.109 2.162 399 HD23 LEU 54 2HD2 LEU 54 4.078 -2.540 1.189 400 H LYS 55 H LYS 55 2.980 1.399 5.153 401 HA LYS 55 HA LYS 55 5.165 -0.043 6.154 402 HB2 LYS 55 2HB LYS 55 4.101 2.710 6.752 403 HB3 LYS 55 1HB LYS 55 5.550 2.087 7.528 404 HG2 LYS 55 2HG LYS 55 6.554 1.749 5.295 405 HG3 LYS 55 1HG LYS 55 5.124 2.492 4.576 406 HD2 LYS 55 2HD LYS 55 6.331 4.387 4.735 407 HD3 LYS 55 1HD LYS 55 5.793 4.361 6.415 408 HE2 LYS 55 2HE LYS 55 8.214 4.742 6.217 409 HE3 LYS 55 1HE LYS 55 7.838 3.255 7.087 410 HZ1 LYS 55 3HZ LYS 55 8.731 1.983 5.478 411 HZ2 LYS 55 1HZ LYS 55 9.603 3.387 5.110 412 HZ3 LYS 55 2HZ LYS 55 8.221 2.990 4.219 413 H ARG 56 H ARG 56 2.251 1.171 7.772 414 HA ARG 56 HA ARG 56 2.948 0.396 10.380 415 HB2 ARG 56 2HB ARG 56 0.247 0.752 9.074 416 HB3 ARG 56 1HB ARG 56 0.463 0.460 10.794 417 HG2 ARG 56 2HG ARG 56 1.300 2.547 11.188 418 HG3 ARG 56 1HG ARG 56 1.944 2.718 9.555 419 HD2 ARG 56 2HD ARG 56 -0.051 3.425 8.693 420 HD3 ARG 56 1HD ARG 56 -1.003 2.534 9.879 421 HE ARG 56 HE ARG 56 0.355 4.541 11.243 422 HH11 ARG 56 1HH1 ARG 56 -2.102 4.273 8.779 423 HH12 ARG 56 2HH1 ARG 56 -2.873 5.763 9.210 424 HH21 ARG 56 1HH2 ARG 56 -0.659 6.501 11.811 425 HH22 ARG 56 2HH2 ARG 56 -2.054 7.027 10.931 426 H TYR 57 H TYR 57 1.565 -1.373 7.701 427 HA TYR 57 HA TYR 57 0.720 -3.638 9.205 428 HB2 TYR 57 2HB TYR 57 -0.035 -2.937 6.856 429 HB3 TYR 57 1HB TYR 57 1.458 -3.674 6.284 430 HD1 TYR 57 1HD TYR 57 -1.594 -4.437 8.280 431 HD2 TYR 57 2HD TYR 57 1.510 -5.949 5.797 432 HE1 TYR 57 1HE TYR 57 -2.702 -6.632 8.246 433 HE2 TYR 57 2HE TYR 57 0.412 -8.150 5.754 434 HH TYR 57 HH TYR 57 -1.784 -9.119 6.089 435 H ILE 58 H ILE 58 3.586 -2.972 7.208 436 HA ILE 58 HA ILE 58 4.826 -5.476 7.689 437 HB ILE 58 HB ILE 58 6.185 -2.889 6.925 438 HG12 ILE 58 2HG1 ILE 58 5.000 -5.025 5.137 439 HG13 ILE 58 1HG1 ILE 58 4.300 -3.433 5.413 440 HG21 ILE 58 1HG2 ILE 58 7.718 -4.637 7.644 441 HG22 ILE 58 2HG2 ILE 58 7.861 -4.360 5.908 442 HG23 ILE 58 3HG2 ILE 58 6.983 -5.767 6.508 443 HD11 ILE 58 3HD1 ILE 58 5.915 -2.365 4.173 444 HD12 ILE 58 1HD1 ILE 58 5.718 -3.879 3.291 445 HD13 ILE 58 2HD1 ILE 58 7.087 -3.665 4.383 446 H LEU 59 H LEU 59 4.555 -2.604 9.562 447 HA LEU 59 HA LEU 59 6.876 -3.195 11.201 448 HB2 LEU 59 2HB LEU 59 4.793 -1.026 11.260 449 HB3 LEU 59 1HB LEU 59 5.977 -1.214 12.540 450 HG LEU 59 HG LEU 59 6.608 -0.682 9.635 451 HD11 LEU 59 1HD1 LEU 59 7.572 1.434 10.957 452 HD12 LEU 59 2HD1 LEU 59 6.193 1.053 11.989 453 HD13 LEU 59 3HD1 LEU 59 5.947 1.383 10.274 454 HD21 LEU 59 3HD2 LEU 59 8.289 -1.271 12.028 455 HD22 LEU 59 1HD2 LEU 59 8.893 -0.166 10.794 456 HD23 LEU 59 2HD2 LEU 59 8.469 -1.823 10.363 457 H LYS 60 H LYS 60 4.083 -4.715 11.005 458 HA LYS 60 HA LYS 60 2.832 -6.003 12.394 459 HB2 LYS 60 2HB LYS 60 5.453 -5.820 13.628 460 HB3 LYS 60 1HB LYS 60 4.192 -6.039 14.833 461 HG2 LYS 60 2HG LYS 60 3.376 -7.993 13.507 462 HG3 LYS 60 1HG LYS 60 4.807 -7.817 12.488 463 HD2 LYS 60 2HD LYS 60 6.261 -8.388 14.223 464 HD3 LYS 60 1HD LYS 60 5.053 -8.056 15.467 465 HE2 LYS 60 2HE LYS 60 3.748 -9.995 14.661 466 HE3 LYS 60 1HE LYS 60 5.030 -10.345 13.502 467 HZ1 LYS 60 3HZ LYS 60 5.851 -10.078 16.278 468 HZ2 LYS 60 1HZ LYS 60 6.365 -11.175 15.097 469 HZ3 LYS 60 2HZ LYS 60 4.909 -11.435 15.916 470 H GLU 61 H GLU 61 2.425 -3.114 12.337 471 HA GLU 61 HA GLU 61 1.597 -2.484 15.064 472 HB2 GLU 61 2HB GLU 61 1.443 -0.787 12.567 473 HB3 GLU 61 1HB GLU 61 1.144 -0.243 14.211 474 HG2 GLU 61 2HG GLU 61 3.491 -0.793 14.771 475 HG3 GLU 61 1HG GLU 61 3.762 -1.195 13.076 476 H ILE 62 H ILE 62 0.251 -3.177 11.899 477 HA ILE 62 HA ILE 62 -2.413 -3.336 13.141 478 HB ILE 62 HB ILE 62 -3.342 -2.658 10.878 479 HG12 ILE 62 2HG1 ILE 62 -0.601 -1.458 10.479 480 HG13 ILE 62 1HG1 ILE 62 -1.091 -2.977 9.734 481 HG21 ILE 62 1HG2 ILE 62 -1.798 -0.655 12.516 482 HG22 ILE 62 2HG2 ILE 62 -3.465 -1.174 12.766 483 HG23 ILE 62 3HG2 ILE 62 -3.038 -0.241 11.332 484 HD11 ILE 62 3HD1 ILE 62 -1.343 -1.170 8.168 485 HD12 ILE 62 1HD1 ILE 62 -2.353 -0.280 9.308 486 HD13 ILE 62 2HD1 ILE 62 -2.933 -1.793 8.612 487 H ASP 63 H ASP 63 -3.403 -5.228 12.864 488 HA ASP 63 HA ASP 63 -2.418 -7.016 10.737 489 HB2 ASP 63 2HB ASP 63 -3.527 -7.891 13.408 490 HB3 ASP 63 1HB ASP 63 -2.769 -8.905 12.185 491 H THR 64 H THR 64 -4.843 -5.078 11.165 492 HA THR 64 HA THR 64 -6.926 -7.023 10.423 493 HB THR 64 HB THR 64 -7.260 -4.239 11.557 494 HG1 THR 64 1HG THR 64 -7.187 -5.164 13.421 495 HG21 THR 64 3HG2 THR 64 -9.597 -4.849 11.882 496 HG22 THR 64 1HG2 THR 64 -9.317 -6.371 11.039 497 HG23 THR 64 2HG2 THR 64 -9.158 -4.842 10.175 498 H LEU 65 H LEU 65 -7.006 -7.133 8.267 499 HA LEU 65 HA LEU 65 -7.149 -4.600 6.773 500 HB2 LEU 65 2HB LEU 65 -5.400 -6.905 6.396 501 HB3 LEU 65 1HB LEU 65 -6.279 -6.480 4.940 502 HG LEU 65 HG LEU 65 -5.371 -4.235 4.986 503 HD11 LEU 65 1HD1 LEU 65 -4.205 -5.110 7.611 504 HD12 LEU 65 2HD1 LEU 65 -5.213 -3.704 7.266 505 HD13 LEU 65 3HD1 LEU 65 -3.546 -3.758 6.693 506 HD21 LEU 65 3HD2 LEU 65 -4.032 -5.820 3.818 507 HD22 LEU 65 1HD2 LEU 65 -3.328 -6.422 5.318 508 HD23 LEU 65 2HD2 LEU 65 -2.941 -4.797 4.752 509 HA PRO 66 HA PRO 66 -7.306 -4.325 4.433 510 HB2 PRO 66 2HB PRO 66 -9.184 -2.949 3.088 511 HB3 PRO 66 1HB PRO 66 -8.543 -4.484 2.489 512 HG2 PRO 66 2HG PRO 66 -11.104 -3.938 3.940 513 HG3 PRO 66 1HG PRO 66 -10.814 -4.982 2.536 514 HD2 PRO 66 2HD PRO 66 -11.021 -5.918 5.095 515 HD3 PRO 66 1HD PRO 66 -10.072 -6.724 3.831 516 H TYR 67 H TYR 67 -7.128 -2.014 4.690 517 HA TYR 67 HA TYR 67 -7.991 -1.118 7.249 518 HB2 TYR 67 2HB TYR 67 -5.835 -0.437 6.316 519 HB3 TYR 67 1HB TYR 67 -6.650 0.392 4.995 520 HD1 TYR 67 1HD TYR 67 -6.363 0.388 8.711 521 HD2 TYR 67 2HD TYR 67 -7.197 2.646 5.203 522 HE1 TYR 67 1HE TYR 67 -6.442 2.443 10.059 523 HE2 TYR 67 2HE TYR 67 -7.277 4.706 6.539 524 HH TYR 67 HH TYR 67 -6.085 4.953 9.613 525 H LYS 68 H LYS 68 -9.494 0.416 7.810 526 HA LYS 68 HA LYS 68 -11.078 1.687 5.718 527 HB2 LYS 68 2HB LYS 68 -11.999 -0.541 7.373 528 HB3 LYS 68 1HB LYS 68 -13.047 0.866 7.476 529 HG2 LYS 68 2HG LYS 68 -12.687 0.720 4.805 530 HG3 LYS 68 1HG LYS 68 -12.575 -0.986 5.245 531 HD2 LYS 68 2HD LYS 68 -14.722 -0.671 6.534 532 HD3 LYS 68 1HD LYS 68 -14.851 0.915 5.770 533 HE2 LYS 68 2HE LYS 68 -14.715 -0.231 3.554 534 HE3 LYS 68 1HE LYS 68 -14.799 -1.772 4.406 535 HZ1 LYS 68 3HZ LYS 68 -16.879 0.264 4.040 536 HZ2 LYS 68 1HZ LYS 68 -16.922 -0.697 5.433 537 HZ3 LYS 68 2HZ LYS 68 -16.986 -1.419 3.905 538 H ASN 69 H ASN 69 -10.048 3.584 6.529 539 HA ASN 69 HA ASN 69 -10.118 4.432 9.197 540 HB2 ASN 69 2HB ASN 69 -9.864 6.754 8.172 541 HB3 ASN 69 1HB ASN 69 -8.636 5.568 7.740 542 HD21 ASN 69 1HD2 ASN 69 -8.051 6.393 5.806 543 HD22 ASN 69 2HD2 ASN 69 -9.103 6.498 4.440 Start of MODEL 14 1 H1 SER 1 1HT SER 1 1.634 -13.302 -10.030 2 H2 SER 1 2HT SER 1 0.341 -12.177 -9.939 3 H3 SER 1 3HT SER 1 0.113 -13.688 -10.720 4 HA SER 1 HA SER 1 0.336 -14.849 -8.710 5 HB2 SER 1 2HB SER 1 1.924 -12.768 -7.960 6 HB3 SER 1 1HB SER 1 0.462 -12.411 -7.041 7 HG SER 1 HG SER 1 2.249 -14.523 -6.799 8 H THR 2 H THR 2 -1.180 -14.404 -6.615 9 HA THR 2 HA THR 2 -3.763 -13.724 -7.774 10 HB THR 2 HB THR 2 -3.553 -15.844 -6.571 11 HG1 THR 2 1HG THR 2 -5.566 -14.835 -6.472 12 HG21 THR 2 3HG2 THR 2 -2.000 -15.659 -4.896 13 HG22 THR 2 1HG2 THR 2 -3.509 -15.588 -3.986 14 HG23 THR 2 2HG2 THR 2 -2.621 -14.105 -4.341 15 H LYS 3 H LYS 3 -5.341 -12.506 -6.437 16 HA LYS 3 HA LYS 3 -4.334 -9.965 -5.771 17 HB2 LYS 3 2HB LYS 3 -6.794 -10.935 -6.359 18 HB3 LYS 3 1HB LYS 3 -6.946 -10.730 -4.619 19 HG2 LYS 3 2HG LYS 3 -5.785 -8.369 -5.421 20 HG3 LYS 3 1HG LYS 3 -6.898 -8.742 -6.738 21 HD2 LYS 3 2HD LYS 3 -8.451 -7.777 -5.439 22 HD3 LYS 3 1HD LYS 3 -8.420 -9.292 -4.534 23 HE2 LYS 3 2HE LYS 3 -6.513 -7.072 -3.890 24 HE3 LYS 3 1HE LYS 3 -8.157 -7.063 -3.253 25 HZ1 LYS 3 3HZ LYS 3 -6.315 -8.126 -1.855 26 HZ2 LYS 3 1HZ LYS 3 -6.425 -9.430 -2.929 27 HZ3 LYS 3 2HZ LYS 3 -7.773 -8.969 -2.017 28 H LEU 4 H LEU 4 -2.854 -9.899 -4.151 29 HA LEU 4 HA LEU 4 -3.759 -10.810 -1.498 30 HB2 LEU 4 2HB LEU 4 -1.477 -11.616 -2.931 31 HB3 LEU 4 1HB LEU 4 -0.892 -10.553 -1.666 32 HG LEU 4 HG LEU 4 -2.492 -12.086 -0.176 33 HD11 LEU 4 1HD1 LEU 4 -3.207 -13.404 -2.158 34 HD12 LEU 4 2HD1 LEU 4 -2.470 -14.374 -0.883 35 HD13 LEU 4 3HD1 LEU 4 -1.544 -13.967 -2.329 36 HD21 LEU 4 3HD2 LEU 4 -0.206 -11.770 0.365 37 HD22 LEU 4 1HD2 LEU 4 0.326 -12.649 -1.069 38 HD23 LEU 4 2HD2 LEU 4 -0.461 -13.511 0.254 39 H TYR 5 H TYR 5 -3.909 -9.284 0.010 40 HA TYR 5 HA TYR 5 -3.421 -6.564 -0.572 41 HB2 TYR 5 2HB TYR 5 -3.983 -7.972 2.043 42 HB3 TYR 5 1HB TYR 5 -3.904 -6.221 1.873 43 HD1 TYR 5 1HD TYR 5 -5.411 -5.366 -0.234 44 HD2 TYR 5 2HD TYR 5 -6.099 -8.868 2.082 45 HE1 TYR 5 1HE TYR 5 -7.783 -5.318 -0.878 46 HE2 TYR 5 2HE TYR 5 -8.473 -8.830 1.443 47 HH TYR 5 HH TYR 5 -10.135 -6.827 0.650 48 H GLY 6 H GLY 6 -1.488 -5.648 -0.740 49 HA2 GLY 6 2HA GLY 6 0.465 -4.790 0.350 50 HA3 GLY 6 1HA GLY 6 0.528 -6.258 1.314 51 H ASP 7 H ASP 7 -0.034 -6.325 -2.127 52 HA ASP 7 HA ASP 7 2.722 -7.269 -2.548 53 HB2 ASP 7 2HB ASP 7 1.217 -9.205 -2.463 54 HB3 ASP 7 1HB ASP 7 0.202 -8.482 -3.708 55 H VAL 8 H VAL 8 3.220 -5.177 -3.355 56 HA VAL 8 HA VAL 8 1.787 -4.127 -5.624 57 HB VAL 8 HB VAL 8 3.662 -2.434 -5.666 58 HG11 VAL 8 1HG1 VAL 8 1.705 -2.878 -3.513 59 HG12 VAL 8 2HG1 VAL 8 1.929 -1.490 -4.578 60 HG13 VAL 8 3HG1 VAL 8 2.967 -1.696 -3.167 61 HG21 VAL 8 3HG2 VAL 8 5.254 -2.356 -3.916 62 HG22 VAL 8 1HG2 VAL 8 5.297 -4.003 -4.546 63 HG23 VAL 8 2HG2 VAL 8 4.456 -3.659 -3.035 64 H ASN 9 H ASN 9 4.795 -5.862 -5.058 65 HA ASN 9 HA ASN 9 5.704 -5.601 -7.770 66 HB2 ASN 9 2HB ASN 9 7.398 -7.338 -7.041 67 HB3 ASN 9 1HB ASN 9 7.402 -5.835 -6.124 68 HD21 ASN 9 1HD2 ASN 9 8.584 -7.355 -4.651 69 HD22 ASN 9 2HD2 ASN 9 7.636 -8.219 -3.494 70 H ASP 10 H ASP 10 3.342 -7.489 -6.318 71 HA ASP 10 HA ASP 10 2.116 -9.278 -6.999 72 HB2 ASP 10 2HB ASP 10 2.503 -7.809 -9.225 73 HB3 ASP 10 1HB ASP 10 3.286 -9.305 -9.725 74 H ASP 11 H ASP 11 4.058 -10.167 -5.561 75 HA ASP 11 HA ASP 11 5.380 -12.306 -7.095 76 HB2 ASP 11 2HB ASP 11 7.059 -12.382 -5.307 77 HB3 ASP 11 1HB ASP 11 6.958 -10.772 -6.014 78 H GLY 12 H GLY 12 3.049 -11.629 -4.691 79 HA2 GLY 12 2HA GLY 12 1.519 -13.253 -3.911 80 HA3 GLY 12 1HA GLY 12 2.713 -14.500 -4.236 81 H LYS 13 H LYS 13 3.684 -11.630 -2.557 82 HA LYS 13 HA LYS 13 3.184 -12.566 0.083 83 HB2 LYS 13 2HB LYS 13 5.021 -14.111 -0.688 84 HB3 LYS 13 1HB LYS 13 6.063 -12.702 -0.815 85 HG2 LYS 13 2HG LYS 13 6.646 -13.205 1.280 86 HG3 LYS 13 1HG LYS 13 5.118 -12.439 1.718 87 HD2 LYS 13 2HD LYS 13 5.155 -15.337 0.997 88 HD3 LYS 13 1HD LYS 13 5.698 -14.835 2.599 89 HE2 LYS 13 2HE LYS 13 3.584 -13.813 3.067 90 HE3 LYS 13 1HE LYS 13 3.042 -14.057 1.407 91 HZ1 LYS 13 3HZ LYS 13 2.727 -16.293 1.743 92 HZ2 LYS 13 1HZ LYS 13 2.290 -15.679 3.260 93 HZ3 LYS 13 2HZ LYS 13 3.813 -16.381 3.036 94 H VAL 14 H VAL 14 3.616 -11.010 1.627 95 HA VAL 14 HA VAL 14 4.268 -8.375 0.560 96 HB VAL 14 HB VAL 14 3.326 -9.063 3.344 97 HG11 VAL 14 1HG1 VAL 14 2.782 -6.456 2.045 98 HG12 VAL 14 2HG1 VAL 14 4.437 -6.769 2.570 99 HG13 VAL 14 3HG1 VAL 14 3.115 -6.834 3.735 100 HG21 VAL 14 3HG2 VAL 14 1.479 -9.753 2.218 101 HG22 VAL 14 1HG2 VAL 14 1.852 -8.786 0.791 102 HG23 VAL 14 2HG2 VAL 14 1.144 -8.021 2.213 103 H ASN 15 H ASN 15 6.441 -8.155 0.412 104 HA ASN 15 HA ASN 15 8.035 -8.720 2.823 105 HB2 ASN 15 2HB ASN 15 8.521 -9.818 0.478 106 HB3 ASN 15 1HB ASN 15 9.292 -8.271 0.144 107 HD21 ASN 15 1HD2 ASN 15 10.587 -10.785 0.258 108 HD22 ASN 15 2HD2 ASN 15 11.725 -10.731 1.555 109 H SER 16 H SER 16 10.069 -7.259 2.901 110 HA SER 16 HA SER 16 9.236 -4.627 3.365 111 HB2 SER 16 2HB SER 16 11.411 -6.063 4.084 112 HB3 SER 16 1HB SER 16 12.118 -5.049 2.826 113 HG SER 16 HG SER 16 12.251 -3.674 4.425 114 H THR 17 H THR 17 10.603 -6.155 0.539 115 HA THR 17 HA THR 17 11.439 -3.893 -0.876 116 HB THR 17 HB THR 17 12.000 -6.167 -1.575 117 HG1 THR 17 1HG THR 17 12.220 -5.035 -3.341 118 HG21 THR 17 3HG2 THR 17 9.618 -6.816 -3.030 119 HG22 THR 17 1HG2 THR 17 9.276 -6.700 -1.304 120 HG23 THR 17 2HG2 THR 17 10.536 -7.791 -1.881 121 H ASP 18 H ASP 18 8.262 -5.252 -0.375 122 HA ASP 18 HA ASP 18 6.907 -3.896 -2.445 123 HB2 ASP 18 2HB ASP 18 6.027 -5.124 0.156 124 HB3 ASP 18 1HB ASP 18 4.885 -4.258 -0.868 125 H ALA 19 H ALA 19 7.837 -2.967 0.801 126 HA ALA 19 HA ALA 19 6.212 -0.662 1.012 127 HB1 ALA 19 1HB ALA 19 6.978 -1.186 3.074 128 HB2 ALA 19 2HB ALA 19 8.254 -0.050 2.636 129 HB3 ALA 19 3HB ALA 19 8.523 -1.784 2.469 130 H VAL 20 H VAL 20 9.664 -1.020 0.189 131 HA VAL 20 HA VAL 20 10.133 1.686 -0.381 132 HB VAL 20 HB VAL 20 11.948 0.073 -0.019 133 HG11 VAL 20 1HG1 VAL 20 11.074 -1.861 -1.145 134 HG12 VAL 20 2HG1 VAL 20 12.618 -1.428 -1.879 135 HG13 VAL 20 3HG1 VAL 20 11.110 -1.025 -2.698 136 HG21 VAL 20 3HG2 VAL 20 12.504 0.987 -2.776 137 HG22 VAL 20 1HG2 VAL 20 13.427 1.224 -1.291 138 HG23 VAL 20 2HG2 VAL 20 12.010 2.222 -1.616 139 H ALA 21 H ALA 21 8.917 -0.944 -2.369 140 HA ALA 21 HA ALA 21 9.139 0.309 -4.877 141 HB1 ALA 21 1HB ALA 21 7.026 -1.297 -5.265 142 HB2 ALA 21 2HB ALA 21 7.661 -1.998 -3.776 143 HB3 ALA 21 3HB ALA 21 8.690 -1.882 -5.205 144 H LEU 22 H LEU 22 6.583 0.347 -2.437 145 HA LEU 22 HA LEU 22 4.704 1.786 -4.006 146 HB2 LEU 22 2HB LEU 22 4.334 0.390 -1.863 147 HB3 LEU 22 1HB LEU 22 4.798 1.847 -1.005 148 HG LEU 22 HG LEU 22 2.921 3.057 -1.910 149 HD11 LEU 22 1HD1 LEU 22 2.525 2.407 -4.062 150 HD12 LEU 22 2HD1 LEU 22 1.236 1.526 -3.242 151 HD13 LEU 22 3HD1 LEU 22 2.721 0.693 -3.701 152 HD21 LEU 22 3HD2 LEU 22 2.550 0.509 -0.494 153 HD22 LEU 22 1HD2 LEU 22 1.094 1.177 -1.228 154 HD23 LEU 22 2HD2 LEU 22 2.015 2.135 -0.070 155 H LYS 23 H LYS 23 7.354 2.714 -1.930 156 HA LYS 23 HA LYS 23 6.642 5.430 -1.587 157 HB2 LYS 23 2HB LYS 23 8.548 3.843 -0.519 158 HB3 LYS 23 1HB LYS 23 9.520 4.739 -1.678 159 HG2 LYS 23 2HG LYS 23 8.006 6.694 -0.446 160 HG3 LYS 23 1HG LYS 23 8.406 5.580 0.863 161 HD2 LYS 23 2HD LYS 23 10.537 6.458 -1.038 162 HD3 LYS 23 1HD LYS 23 10.029 7.536 0.263 163 HE2 LYS 23 2HE LYS 23 10.878 4.682 0.712 164 HE3 LYS 23 1HE LYS 23 11.996 6.045 0.779 165 HZ1 LYS 23 3HZ LYS 23 11.159 6.752 2.736 166 HZ2 LYS 23 1HZ LYS 23 10.716 5.127 2.901 167 HZ3 LYS 23 2HZ LYS 23 9.577 6.266 2.384 168 H ARG 24 H ARG 24 8.425 3.703 -4.074 169 HA ARG 24 HA ARG 24 9.466 5.964 -5.410 170 HB2 ARG 24 2HB ARG 24 8.807 3.227 -6.513 171 HB3 ARG 24 1HB ARG 24 9.810 4.433 -7.307 172 HG2 ARG 24 2HG ARG 24 11.130 4.269 -5.000 173 HG3 ARG 24 1HG ARG 24 10.425 2.652 -5.029 174 HD2 ARG 24 2HD ARG 24 11.980 1.996 -6.471 175 HD3 ARG 24 1HD ARG 24 11.433 3.213 -7.623 176 HE ARG 24 HE ARG 24 13.234 4.514 -7.059 177 HH11 ARG 24 1HH1 ARG 24 12.866 1.989 -4.679 178 HH12 ARG 24 2HH1 ARG 24 14.369 2.338 -3.893 179 HH21 ARG 24 1HH2 ARG 24 15.212 4.974 -6.027 180 HH22 ARG 24 2HH2 ARG 24 15.700 4.033 -4.658 181 H TYR 25 H TYR 25 6.516 4.056 -5.896 182 HA TYR 25 HA TYR 25 5.568 5.358 -8.176 183 HB2 TYR 25 2HB TYR 25 4.679 3.233 -7.051 184 HB3 TYR 25 1HB TYR 25 3.773 4.311 -5.994 185 HD1 TYR 25 2HD TYR 25 2.065 5.852 -6.998 186 HD2 TYR 25 1HD TYR 25 3.936 2.763 -9.247 187 HE1 TYR 25 2HE TYR 25 0.274 5.997 -8.678 188 HE2 TYR 25 1HE TYR 25 2.151 2.901 -10.933 189 HH TYR 25 HH TYR 25 -0.372 3.705 -10.883 190 H VAL 26 H VAL 26 4.878 6.020 -4.750 191 HA VAL 26 HA VAL 26 3.223 8.265 -5.241 192 HB VAL 26 HB VAL 26 4.805 7.696 -2.733 193 HG11 VAL 26 1HG1 VAL 26 2.551 8.809 -1.863 194 HG12 VAL 26 2HG1 VAL 26 2.622 9.565 -3.454 195 HG13 VAL 26 3HG1 VAL 26 3.960 9.765 -2.324 196 HG21 VAL 26 3HG2 VAL 26 3.057 5.951 -3.853 197 HG22 VAL 26 1HG2 VAL 26 1.975 6.914 -2.846 198 HG23 VAL 26 2HG2 VAL 26 3.354 6.090 -2.121 199 H LEU 27 H LEU 27 6.615 7.852 -5.342 200 HA LEU 27 HA LEU 27 7.177 10.671 -4.874 201 HB2 LEU 27 2HB LEU 27 8.629 8.775 -4.018 202 HB3 LEU 27 1HB LEU 27 9.129 8.527 -5.680 203 HG LEU 27 HG LEU 27 9.509 11.271 -5.156 204 HD11 LEU 27 1HD1 LEU 27 10.924 9.692 -3.044 205 HD12 LEU 27 2HD1 LEU 27 9.354 10.429 -2.730 206 HD13 LEU 27 3HD1 LEU 27 10.726 11.438 -3.186 207 HD21 LEU 27 3HD2 LEU 27 11.889 10.680 -5.443 208 HD22 LEU 27 1HD2 LEU 27 10.852 9.954 -6.671 209 HD23 LEU 27 2HD2 LEU 27 11.454 8.974 -5.334 210 H ARG 28 H ARG 28 5.687 9.535 -7.289 211 HA ARG 28 HA ARG 28 5.523 9.942 -9.519 212 HB2 ARG 28 2HB ARG 28 6.799 12.268 -8.339 213 HB3 ARG 28 1HB ARG 28 7.278 12.055 -10.017 214 HG2 ARG 28 2HG ARG 28 4.393 11.838 -9.364 215 HG3 ARG 28 1HG ARG 28 5.137 13.438 -9.332 216 HD2 ARG 28 2HD ARG 28 5.889 13.176 -11.613 217 HD3 ARG 28 1HD ARG 28 5.286 11.520 -11.654 218 HE ARG 28 HE ARG 28 3.157 13.215 -11.015 219 HH11 ARG 28 1HH1 ARG 28 5.272 12.523 -13.702 220 HH12 ARG 28 2HH1 ARG 28 4.107 12.980 -14.899 221 HH21 ARG 28 1HH2 ARG 28 1.623 13.816 -12.588 222 HH22 ARG 28 2HH2 ARG 28 2.035 13.714 -14.266 223 H SER 29 H SER 29 7.583 8.092 -8.577 224 HA SER 29 HA SER 29 9.928 8.422 -10.161 225 HB2 SER 29 2HB SER 29 8.768 5.988 -8.788 226 HB3 SER 29 1HB SER 29 10.347 6.022 -9.572 227 HG SER 29 HG SER 29 9.623 7.858 -7.546 228 H GLY 30 H GLY 30 6.805 6.936 -10.668 229 HA2 GLY 30 2HA GLY 30 5.832 6.449 -12.733 230 HA3 GLY 30 1HA GLY 30 7.397 6.678 -13.499 231 H ILE 31 H ILE 31 6.992 4.596 -10.730 232 HA ILE 31 HA ILE 31 7.930 2.340 -12.289 233 HB ILE 31 HB ILE 31 8.863 2.751 -10.053 234 HG12 ILE 31 2HG1 ILE 31 7.270 0.193 -9.966 235 HG13 ILE 31 1HG1 ILE 31 8.611 0.422 -11.083 236 HG21 ILE 31 1HG2 ILE 31 7.483 2.272 -8.056 237 HG22 ILE 31 2HG2 ILE 31 6.063 2.183 -9.097 238 HG23 ILE 31 3HG2 ILE 31 6.951 3.699 -8.944 239 HD11 ILE 31 3HD1 ILE 31 9.399 -0.756 -9.165 240 HD12 ILE 31 1HD1 ILE 31 8.721 0.457 -8.079 241 HD13 ILE 31 2HD1 ILE 31 10.075 0.874 -9.130 242 H SER 32 H SER 32 6.851 0.359 -12.505 243 HA SER 32 HA SER 32 3.951 0.599 -12.529 244 HB2 SER 32 2HB SER 32 5.669 -0.489 -14.328 245 HB3 SER 32 1HB SER 32 5.197 -1.929 -13.426 246 HG SER 32 HG SER 32 2.966 -1.120 -13.787 247 H ILE 33 H ILE 33 2.801 -0.041 -10.841 248 HA ILE 33 HA ILE 33 3.727 -2.382 -9.311 249 HB ILE 33 HB ILE 33 2.963 -1.392 -7.247 250 HG12 ILE 33 2HG1 ILE 33 2.229 1.028 -8.916 251 HG13 ILE 33 1HG1 ILE 33 1.095 -0.068 -8.133 252 HG21 ILE 33 1HG2 ILE 33 4.461 0.857 -7.532 253 HG22 ILE 33 2HG2 ILE 33 5.006 -0.102 -8.908 254 HG23 ILE 33 3HG2 ILE 33 5.115 -0.760 -7.276 255 HD11 ILE 33 3HD1 ILE 33 1.129 1.629 -6.623 256 HD12 ILE 33 1HD1 ILE 33 2.807 2.050 -6.961 257 HD13 ILE 33 2HD1 ILE 33 2.435 0.633 -5.980 258 H ASN 34 H ASN 34 1.761 -2.974 -7.715 259 HA ASN 34 HA ASN 34 -0.527 -3.410 -9.499 260 HB2 ASN 34 2HB ASN 34 0.874 -5.062 -7.590 261 HB3 ASN 34 1HB ASN 34 -0.837 -4.980 -7.184 262 HD21 ASN 34 1HD2 ASN 34 -0.641 -7.302 -7.712 263 HD22 ASN 34 2HD2 ASN 34 -0.869 -7.779 -9.357 264 H THR 35 H THR 35 -1.964 -1.807 -9.247 265 HA THR 35 HA THR 35 -2.381 -0.419 -6.802 266 HB THR 35 HB THR 35 -4.259 0.649 -7.966 267 HG1 THR 35 1HG THR 35 -5.010 -1.185 -9.101 268 HG21 THR 35 3HG2 THR 35 -2.679 0.795 -10.291 269 HG22 THR 35 1HG2 THR 35 -1.581 0.654 -8.917 270 HG23 THR 35 2HG2 THR 35 -2.781 1.948 -8.960 271 H ASP 36 H ASP 36 -3.821 -3.212 -8.303 272 HA ASP 36 HA ASP 36 -6.198 -3.338 -6.793 273 HB2 ASP 36 2HB ASP 36 -4.815 -4.968 -8.712 274 HB3 ASP 36 1HB ASP 36 -5.353 -5.978 -7.376 275 H ASN 37 H ASN 37 -2.972 -4.693 -6.283 276 HA ASN 37 HA ASN 37 -3.741 -5.866 -3.746 277 HB2 ASN 37 2HB ASN 37 -1.108 -5.732 -5.224 278 HB3 ASN 37 1HB ASN 37 -1.301 -6.503 -3.653 279 HD21 ASN 37 1HD2 ASN 37 -0.354 -8.042 -5.565 280 HD22 ASN 37 2HD2 ASN 37 -1.542 -9.152 -6.146 281 H ALA 38 H ALA 38 -1.839 -3.149 -4.939 282 HA ALA 38 HA ALA 38 -0.658 -2.338 -2.545 283 HB1 ALA 38 1HB ALA 38 -1.577 -0.564 -4.804 284 HB2 ALA 38 2HB ALA 38 -0.056 -1.456 -4.765 285 HB3 ALA 38 3HB ALA 38 -0.357 -0.177 -3.589 286 H ASP 39 H ASP 39 -3.783 -1.417 -3.961 287 HA ASP 39 HA ASP 39 -4.542 0.448 -2.022 288 HB2 ASP 39 2HB ASP 39 -5.643 -0.132 -4.293 289 HB3 ASP 39 1HB ASP 39 -6.526 -1.355 -3.385 290 H LEU 40 H LEU 40 -4.233 -0.133 0.075 291 HA LEU 40 HA LEU 40 -5.223 -2.680 1.051 292 HB2 LEU 40 2HB LEU 40 -3.835 -0.405 2.468 293 HB3 LEU 40 1HB LEU 40 -4.271 -1.929 3.217 294 HG LEU 40 HG LEU 40 -2.280 -1.534 0.985 295 HD11 LEU 40 1HD1 LEU 40 -1.653 -2.729 3.638 296 HD12 LEU 40 2HD1 LEU 40 -1.793 -0.977 3.502 297 HD13 LEU 40 3HD1 LEU 40 -0.612 -1.846 2.522 298 HD21 LEU 40 3HD2 LEU 40 -3.363 -4.027 2.272 299 HD22 LEU 40 1HD2 LEU 40 -1.825 -3.986 1.410 300 HD23 LEU 40 2HD2 LEU 40 -3.322 -3.610 0.558 301 H ASN 41 H ASN 41 -6.226 0.631 0.940 302 HA ASN 41 HA ASN 41 -8.339 0.106 2.907 303 HB2 ASN 41 2HB ASN 41 -8.643 2.507 3.034 304 HB3 ASN 41 1HB ASN 41 -6.939 2.120 3.251 305 HD21 ASN 41 1HD2 ASN 41 -7.416 4.619 2.664 306 HD22 ASN 41 2HD2 ASN 41 -7.044 4.989 1.019 307 H GLU 42 H GLU 42 -7.876 0.006 -0.387 308 HA GLU 42 HA GLU 42 -9.275 -0.122 -2.173 309 HB2 GLU 42 2HB GLU 42 -11.360 -0.412 -0.003 310 HB3 GLU 42 1HB GLU 42 -11.655 -0.694 -1.713 311 HG2 GLU 42 2HG GLU 42 -9.454 -2.176 -0.368 312 HG3 GLU 42 1HG GLU 42 -11.122 -2.672 -0.087 313 H ASP 43 H ASP 43 -8.543 2.449 -1.309 314 HA ASP 43 HA ASP 43 -10.845 4.162 -1.274 315 HB2 ASP 43 2HB ASP 43 -9.183 5.995 -1.414 316 HB3 ASP 43 1HB ASP 43 -8.819 4.853 -0.124 317 H GLY 44 H GLY 44 -9.032 2.620 -3.725 318 HA2 GLY 44 2HA GLY 44 -9.932 2.592 -5.960 319 HA3 GLY 44 1HA GLY 44 -10.417 4.265 -5.738 320 H ARG 45 H ARG 45 -7.557 4.492 -4.417 321 HA ARG 45 HA ARG 45 -5.860 4.299 -6.746 322 HB2 ARG 45 2HB ARG 45 -5.274 6.745 -6.664 323 HB3 ARG 45 1HB ARG 45 -6.875 6.382 -7.294 324 HG2 ARG 45 2HG ARG 45 -7.854 6.953 -5.124 325 HG3 ARG 45 1HG ARG 45 -6.245 7.335 -4.508 326 HD2 ARG 45 2HD ARG 45 -6.185 8.907 -6.623 327 HD3 ARG 45 1HD ARG 45 -7.938 8.812 -6.462 328 HE ARG 45 HE ARG 45 -6.836 9.415 -3.957 329 HH11 ARG 45 1HH1 ARG 45 -7.268 10.876 -7.097 330 HH12 ARG 45 2HH1 ARG 45 -7.313 12.492 -6.477 331 HH21 ARG 45 1HH2 ARG 45 -6.894 11.540 -3.141 332 HH22 ARG 45 2HH2 ARG 45 -7.099 12.869 -4.231 333 H VAL 46 H VAL 46 -3.642 4.602 -6.282 334 HA VAL 46 HA VAL 46 -2.969 4.038 -3.527 335 HB VAL 46 HB VAL 46 -1.073 4.389 -5.850 336 HG11 VAL 46 1HG1 VAL 46 0.076 4.461 -3.762 337 HG12 VAL 46 2HG1 VAL 46 0.348 2.866 -4.462 338 HG13 VAL 46 3HG1 VAL 46 -0.820 3.068 -3.155 339 HG21 VAL 46 3HG2 VAL 46 -2.154 1.764 -4.867 340 HG22 VAL 46 1HG2 VAL 46 -1.256 2.100 -6.348 341 HG23 VAL 46 2HG2 VAL 46 -2.919 2.661 -6.177 342 H ASN 47 H ASN 47 -3.196 5.858 -2.306 343 HA ASN 47 HA ASN 47 -1.663 8.233 -3.129 344 HB2 ASN 47 2HB ASN 47 -3.143 9.356 -1.322 345 HB3 ASN 47 1HB ASN 47 -3.871 8.955 -2.874 346 HD21 ASN 47 1HD2 ASN 47 -5.896 8.416 -2.487 347 HD22 ASN 47 2HD2 ASN 47 -6.436 7.303 -1.283 348 H SER 48 H SER 48 -1.200 9.587 -0.947 349 HA SER 48 HA SER 48 0.928 8.317 0.312 350 HB2 SER 48 2HB SER 48 -0.723 10.702 1.165 351 HB3 SER 48 1HB SER 48 0.739 10.189 2.005 352 HG SER 48 HG SER 48 0.632 11.775 -0.032 353 H THR 49 H THR 49 -2.465 8.365 1.117 354 HA THR 49 HA THR 49 -2.340 7.548 3.789 355 HB THR 49 HB THR 49 -4.484 6.619 1.893 356 HG1 THR 49 1HG THR 49 -4.272 9.209 3.023 357 HG21 THR 49 3HG2 THR 49 -4.962 5.878 4.052 358 HG22 THR 49 1HG2 THR 49 -5.920 7.345 3.859 359 HG23 THR 49 2HG2 THR 49 -4.420 7.386 4.787 360 H ASP 50 H ASP 50 -2.436 5.651 0.796 361 HA ASP 50 HA ASP 50 -2.537 3.109 1.978 362 HB2 ASP 50 2HB ASP 50 -1.559 4.104 -0.685 363 HB3 ASP 50 1HB ASP 50 -1.411 2.406 -0.245 364 H LEU 51 H LEU 51 0.206 5.133 1.019 365 HA LEU 51 HA LEU 51 2.277 3.347 1.504 366 HB2 LEU 51 2HB LEU 51 2.435 5.642 0.470 367 HB3 LEU 51 1HB LEU 51 2.365 6.303 2.092 368 HG LEU 51 HG LEU 51 4.419 4.551 2.367 369 HD11 LEU 51 1HD1 LEU 51 4.208 5.266 -0.508 370 HD12 LEU 51 2HD1 LEU 51 4.811 3.794 0.254 371 HD13 LEU 51 3HD1 LEU 51 5.810 5.248 0.231 372 HD21 LEU 51 3HD2 LEU 51 5.659 6.409 2.738 373 HD22 LEU 51 1HD2 LEU 51 4.081 7.191 2.644 374 HD23 LEU 51 2HD2 LEU 51 5.148 7.185 1.239 375 H GLY 52 H GLY 52 0.379 5.271 3.732 376 HA2 GLY 52 2HA GLY 52 2.076 4.759 5.999 377 HA3 GLY 52 1HA GLY 52 0.477 5.490 6.034 378 H ILE 53 H ILE 53 -0.671 3.202 4.524 379 HA ILE 53 HA ILE 53 -1.289 1.566 6.806 380 HB ILE 53 HB ILE 53 -2.145 1.168 3.936 381 HG12 ILE 53 2HG1 ILE 53 -3.857 2.441 6.042 382 HG13 ILE 53 1HG1 ILE 53 -2.678 3.420 5.174 383 HG21 ILE 53 1HG2 ILE 53 -3.495 -0.487 4.635 384 HG22 ILE 53 2HG2 ILE 53 -3.892 0.334 6.144 385 HG23 ILE 53 3HG2 ILE 53 -2.387 -0.573 6.004 386 HD11 ILE 53 3HD1 ILE 53 -4.358 3.744 3.738 387 HD12 ILE 53 1HD1 ILE 53 -5.235 2.315 4.285 388 HD13 ILE 53 2HD1 ILE 53 -3.916 2.150 3.126 389 H LEU 54 H LEU 54 0.370 1.095 3.707 390 HA LEU 54 HA LEU 54 0.915 -1.658 4.082 391 HB2 LEU 54 2HB LEU 54 1.008 -0.210 1.933 392 HB3 LEU 54 1HB LEU 54 2.642 0.166 2.445 393 HG LEU 54 HG LEU 54 2.507 -2.611 2.598 394 HD11 LEU 54 1HD1 LEU 54 0.585 -2.956 1.371 395 HD12 LEU 54 2HD1 LEU 54 1.831 -3.028 0.125 396 HD13 LEU 54 3HD1 LEU 54 0.873 -1.561 0.329 397 HD21 LEU 54 3HD2 LEU 54 3.693 -0.645 0.682 398 HD22 LEU 54 1HD2 LEU 54 3.858 -2.378 0.399 399 HD23 LEU 54 2HD2 LEU 54 4.491 -1.663 1.881 400 H LYS 55 H LYS 55 2.932 1.240 4.531 401 HA LYS 55 HA LYS 55 5.227 -0.075 5.448 402 HB2 LYS 55 2HB LYS 55 4.164 2.710 5.850 403 HB3 LYS 55 1HB LYS 55 5.665 2.192 6.603 404 HG2 LYS 55 2HG LYS 55 6.276 1.459 4.164 405 HG3 LYS 55 1HG LYS 55 5.041 2.642 3.731 406 HD2 LYS 55 2HD LYS 55 6.754 4.102 3.821 407 HD3 LYS 55 1HD LYS 55 6.465 4.040 5.561 408 HE2 LYS 55 2HE LYS 55 8.169 2.327 5.806 409 HE3 LYS 55 1HE LYS 55 8.423 2.304 4.061 410 HZ1 LYS 55 3HZ LYS 55 10.125 3.621 5.021 411 HZ2 LYS 55 1HZ LYS 55 9.022 4.523 5.936 412 HZ3 LYS 55 2HZ LYS 55 9.063 4.691 4.253 413 H ARG 56 H ARG 56 2.507 1.323 7.254 414 HA ARG 56 HA ARG 56 3.481 0.718 9.823 415 HB2 ARG 56 2HB ARG 56 0.720 1.234 8.742 416 HB3 ARG 56 1HB ARG 56 0.985 0.856 10.438 417 HG2 ARG 56 2HG ARG 56 2.406 2.801 10.683 418 HG3 ARG 56 1HG ARG 56 2.243 3.161 8.962 419 HD2 ARG 56 2HD ARG 56 0.148 3.992 9.196 420 HD3 ARG 56 1HD ARG 56 -0.270 2.866 10.487 421 HE ARG 56 HE ARG 56 0.283 4.493 11.975 422 HH11 ARG 56 1HH1 ARG 56 1.979 5.140 8.994 423 HH12 ARG 56 2HH1 ARG 56 2.666 6.625 9.562 424 HH21 ARG 56 1HH2 ARG 56 1.187 6.445 12.724 425 HH22 ARG 56 2HH2 ARG 56 2.217 7.366 11.678 426 H TYR 57 H TYR 57 1.426 -1.090 7.587 427 HA TYR 57 HA TYR 57 0.711 -3.195 9.275 428 HB2 TYR 57 2HB TYR 57 -0.250 -2.745 7.009 429 HB3 TYR 57 1HB TYR 57 1.231 -3.381 6.301 430 HD1 TYR 57 1HD TYR 57 -1.628 -4.301 8.491 431 HD2 TYR 57 2HD TYR 57 1.483 -5.682 5.938 432 HE1 TYR 57 1HE TYR 57 -2.568 -6.571 8.583 433 HE2 TYR 57 2HE TYR 57 0.551 -7.957 6.023 434 HH TYR 57 HH TYR 57 -1.899 -8.858 8.248 435 H ILE 58 H ILE 58 3.549 -2.779 7.202 436 HA ILE 58 HA ILE 58 4.647 -5.349 7.804 437 HB ILE 58 HB ILE 58 6.105 -2.944 6.712 438 HG12 ILE 58 2HG1 ILE 58 4.972 -5.142 5.013 439 HG13 ILE 58 1HG1 ILE 58 3.947 -3.796 5.500 440 HG21 ILE 58 1HG2 ILE 58 7.819 -4.368 7.069 441 HG22 ILE 58 2HG2 ILE 58 7.253 -5.088 5.563 442 HG23 ILE 58 3HG2 ILE 58 6.774 -5.787 7.110 443 HD11 ILE 58 3HD1 ILE 58 4.820 -3.310 3.349 444 HD12 ILE 58 1HD1 ILE 58 6.465 -3.679 3.868 445 HD13 ILE 58 2HD1 ILE 58 5.639 -2.257 4.503 446 H LEU 59 H LEU 59 4.614 -2.326 9.422 447 HA LEU 59 HA LEU 59 6.989 -2.958 10.997 448 HB2 LEU 59 2HB LEU 59 5.272 -0.539 10.645 449 HB3 LEU 59 1HB LEU 59 6.228 -0.697 12.107 450 HG LEU 59 HG LEU 59 7.625 -1.079 9.510 451 HD11 LEU 59 1HD1 LEU 59 7.988 1.411 9.424 452 HD12 LEU 59 2HD1 LEU 59 6.628 1.566 10.535 453 HD13 LEU 59 3HD1 LEU 59 6.386 0.856 8.940 454 HD21 LEU 59 3HD2 LEU 59 8.691 -1.315 11.772 455 HD22 LEU 59 1HD2 LEU 59 8.432 0.416 11.995 456 HD23 LEU 59 2HD2 LEU 59 9.472 -0.160 10.692 457 H LYS 60 H LYS 60 4.325 -4.411 11.149 458 HA LYS 60 HA LYS 60 2.969 -5.332 12.726 459 HB2 LYS 60 2HB LYS 60 5.553 -4.848 14.061 460 HB3 LYS 60 1HB LYS 60 4.193 -5.088 15.149 461 HG2 LYS 60 2HG LYS 60 3.756 -7.142 13.522 462 HG3 LYS 60 1HG LYS 60 5.499 -6.986 13.295 463 HD2 LYS 60 2HD LYS 60 5.380 -6.811 15.969 464 HD3 LYS 60 1HD LYS 60 3.957 -7.813 15.678 465 HE2 LYS 60 2HE LYS 60 6.764 -8.383 14.735 466 HE3 LYS 60 1HE LYS 60 5.930 -9.190 16.061 467 HZ1 LYS 60 3HZ LYS 60 5.455 -10.659 14.439 468 HZ2 LYS 60 1HZ LYS 60 5.615 -9.529 13.189 469 HZ3 LYS 60 2HZ LYS 60 4.192 -9.585 14.101 470 H GLU 61 H GLU 61 2.686 -2.463 12.144 471 HA GLU 61 HA GLU 61 1.873 -1.302 14.683 472 HB2 GLU 61 2HB GLU 61 1.857 -0.230 11.860 473 HB3 GLU 61 1HB GLU 61 1.262 0.672 13.247 474 HG2 GLU 61 2HG GLU 61 3.514 0.469 14.271 475 HG3 GLU 61 1HG GLU 61 4.076 -0.281 12.779 476 H ILE 62 H ILE 62 0.459 -2.721 11.820 477 HA ILE 62 HA ILE 62 -2.147 -2.707 13.154 478 HB ILE 62 HB ILE 62 -3.249 -2.210 10.945 479 HG12 ILE 62 2HG1 ILE 62 -0.518 -1.147 10.201 480 HG13 ILE 62 1HG1 ILE 62 -1.185 -2.656 9.586 481 HG21 ILE 62 1HG2 ILE 62 -2.379 0.328 11.121 482 HG22 ILE 62 2HG2 ILE 62 -1.789 -0.307 12.658 483 HG23 ILE 62 3HG2 ILE 62 -3.506 -0.400 12.266 484 HD11 ILE 62 3HD1 ILE 62 -1.419 -0.209 8.402 485 HD12 ILE 62 1HD1 ILE 62 -2.963 -0.376 9.236 486 HD13 ILE 62 2HD1 ILE 62 -2.446 -1.606 8.083 487 H ASP 63 H ASP 63 -3.140 -4.620 13.045 488 HA ASP 63 HA ASP 63 -2.032 -6.636 11.214 489 HB2 ASP 63 2HB ASP 63 -3.123 -8.275 12.810 490 HB3 ASP 63 1HB ASP 63 -1.776 -7.350 13.468 491 H THR 64 H THR 64 -4.791 -4.739 11.795 492 HA THR 64 HA THR 64 -6.725 -6.570 10.718 493 HB THR 64 HB THR 64 -7.067 -3.587 10.939 494 HG1 THR 64 1HG THR 64 -7.280 -5.518 13.002 495 HG21 THR 64 3HG2 THR 64 -9.367 -4.521 11.780 496 HG22 THR 64 1HG2 THR 64 -8.893 -5.923 10.822 497 HG23 THR 64 2HG2 THR 64 -9.027 -4.339 10.060 498 H LEU 65 H LEU 65 -6.520 -7.165 8.656 499 HA LEU 65 HA LEU 65 -6.245 -5.043 6.638 500 HB2 LEU 65 2HB LEU 65 -4.227 -6.690 7.115 501 HB3 LEU 65 1HB LEU 65 -5.155 -7.761 6.084 502 HG LEU 65 HG LEU 65 -5.061 -6.130 4.268 503 HD11 LEU 65 1HD1 LEU 65 -3.042 -4.375 5.265 504 HD12 LEU 65 2HD1 LEU 65 -4.437 -4.320 6.341 505 HD13 LEU 65 3HD1 LEU 65 -4.636 -3.983 4.622 506 HD21 LEU 65 3HD2 LEU 65 -2.243 -6.337 5.216 507 HD22 LEU 65 1HD2 LEU 65 -2.918 -6.626 3.612 508 HD23 LEU 65 2HD2 LEU 65 -3.155 -7.812 4.896 509 HA PRO 66 HA PRO 66 -6.437 -4.797 4.498 510 HB2 PRO 66 2HB PRO 66 -8.359 -3.613 3.031 511 HB3 PRO 66 1HB PRO 66 -7.536 -5.080 2.489 512 HG2 PRO 66 2HG PRO 66 -10.222 -4.777 3.769 513 HG3 PRO 66 1HG PRO 66 -9.737 -5.808 2.411 514 HD2 PRO 66 2HD PRO 66 -10.020 -6.716 4.974 515 HD3 PRO 66 1HD PRO 66 -8.925 -7.449 3.787 516 H TYR 67 H TYR 67 -6.770 -2.372 4.450 517 HA TYR 67 HA TYR 67 -7.556 -1.493 7.041 518 HB2 TYR 67 2HB TYR 67 -5.690 -0.491 5.723 519 HB3 TYR 67 1HB TYR 67 -6.880 0.183 4.615 520 HD1 TYR 67 2HD TYR 67 -5.909 0.187 8.214 521 HD2 TYR 67 1HD TYR 67 -7.773 2.293 5.022 522 HE1 TYR 67 2HE TYR 67 -6.109 2.174 9.649 523 HE2 TYR 67 1HE TYR 67 -7.976 4.286 6.445 524 HH TYR 67 HH TYR 67 -7.993 4.915 8.745 525 H LYS 68 H LYS 68 -9.410 -0.614 7.730 526 HA LYS 68 HA LYS 68 -11.398 0.232 5.737 527 HB2 LYS 68 2HB LYS 68 -11.723 -2.138 6.817 528 HB3 LYS 68 1HB LYS 68 -12.284 -1.216 8.205 529 HG2 LYS 68 2HG LYS 68 -14.248 -1.623 7.095 530 HG3 LYS 68 1HG LYS 68 -13.811 -0.036 6.459 531 HD2 LYS 68 2HD LYS 68 -14.165 -1.015 4.461 532 HD3 LYS 68 1HD LYS 68 -12.537 -1.651 4.701 533 HE2 LYS 68 2HE LYS 68 -13.657 -3.587 4.223 534 HE3 LYS 68 1HE LYS 68 -13.830 -3.554 5.977 535 HZ1 LYS 68 3HZ LYS 68 -15.905 -2.194 4.463 536 HZ2 LYS 68 1HZ LYS 68 -16.030 -3.169 5.842 537 HZ3 LYS 68 2HZ LYS 68 -15.871 -3.878 4.314 538 H ASN 69 H ASN 69 -10.842 2.387 6.234 539 HA ASN 69 HA ASN 69 -12.401 3.593 8.235 540 HB2 ASN 69 2HB ASN 69 -10.675 2.667 9.741 541 HB3 ASN 69 1HB ASN 69 -9.436 3.538 8.843 542 HD21 ASN 69 1HD2 ASN 69 -8.871 4.563 10.815 543 HD22 ASN 69 2HD2 ASN 69 -9.801 5.889 11.417 Start of MODEL 15 1 H1 SER 1 1HT SER 1 1.471 -13.247 -9.877 2 H2 SER 1 2HT SER 1 0.510 -11.869 -9.525 3 H3 SER 1 3HT SER 1 -0.234 -13.331 -10.033 4 HA SER 1 HA SER 1 0.809 -14.362 -8.018 5 HB2 SER 1 2HB SER 1 2.174 -12.094 -7.823 6 HB3 SER 1 1HB SER 1 0.759 -11.587 -6.902 7 HG SER 1 HG SER 1 1.111 -13.275 -5.479 8 H THR 2 H THR 2 -0.514 -14.335 -5.972 9 HA THR 2 HA THR 2 -3.283 -14.129 -6.665 10 HB THR 2 HB THR 2 -2.644 -15.961 -5.277 11 HG1 THR 2 1HG THR 2 -3.918 -14.096 -3.569 12 HG21 THR 2 3HG2 THR 2 -1.988 -15.028 -2.785 13 HG22 THR 2 1HG2 THR 2 -1.059 -13.984 -3.861 14 HG23 THR 2 2HG2 THR 2 -0.875 -15.735 -3.956 15 H LYS 3 H LYS 3 -4.888 -12.941 -5.452 16 HA LYS 3 HA LYS 3 -4.160 -10.216 -5.087 17 HB2 LYS 3 2HB LYS 3 -6.476 -11.451 -5.701 18 HB3 LYS 3 1HB LYS 3 -6.742 -11.166 -3.987 19 HG2 LYS 3 2HG LYS 3 -6.478 -8.811 -4.264 20 HG3 LYS 3 1HG LYS 3 -5.952 -9.015 -5.936 21 HD2 LYS 3 2HD LYS 3 -8.265 -10.174 -6.235 22 HD3 LYS 3 1HD LYS 3 -8.686 -9.303 -4.758 23 HE2 LYS 3 2HE LYS 3 -8.123 -7.194 -5.806 24 HE3 LYS 3 1HE LYS 3 -7.585 -8.029 -7.261 25 HZ1 LYS 3 3HZ LYS 3 -9.810 -8.760 -7.678 26 HZ2 LYS 3 1HZ LYS 3 -9.842 -7.085 -7.440 27 HZ3 LYS 3 2HZ LYS 3 -10.359 -8.125 -6.211 28 H LEU 4 H LEU 4 -2.640 -10.100 -3.437 29 HA LEU 4 HA LEU 4 -3.689 -10.647 -0.738 30 HB2 LEU 4 2HB LEU 4 -1.471 -11.806 -1.909 31 HB3 LEU 4 1HB LEU 4 -0.779 -10.511 -0.950 32 HG LEU 4 HG LEU 4 -2.714 -12.485 0.234 33 HD11 LEU 4 1HD1 LEU 4 -0.539 -13.446 -0.881 34 HD12 LEU 4 2HD1 LEU 4 -1.069 -14.001 0.706 35 HD13 LEU 4 3HD1 LEU 4 0.224 -12.808 0.577 36 HD21 LEU 4 3HD2 LEU 4 -2.029 -11.678 2.282 37 HD22 LEU 4 1HD2 LEU 4 -1.991 -10.218 1.294 38 HD23 LEU 4 2HD2 LEU 4 -0.494 -11.079 1.653 39 H TYR 5 H TYR 5 -3.879 -8.929 0.535 40 HA TYR 5 HA TYR 5 -3.307 -6.324 -0.317 41 HB2 TYR 5 2HB TYR 5 -3.937 -7.478 2.396 42 HB3 TYR 5 1HB TYR 5 -3.673 -5.754 2.154 43 HD1 TYR 5 2HD TYR 5 -5.077 -4.838 -0.000 44 HD2 TYR 5 1HD TYR 5 -6.137 -8.139 2.464 45 HE1 TYR 5 2HE TYR 5 -7.430 -4.566 -0.659 46 HE2 TYR 5 1HE TYR 5 -8.493 -7.877 1.812 47 HH TYR 5 HH TYR 5 -9.635 -5.123 0.114 48 H GLY 6 H GLY 6 -1.412 -5.344 -0.514 49 HA2 GLY 6 2HA GLY 6 0.576 -4.434 0.423 50 HA3 GLY 6 1HA GLY 6 0.639 -5.791 1.537 51 H ASP 7 H ASP 7 0.037 -6.251 -1.865 52 HA ASP 7 HA ASP 7 2.783 -7.267 -2.188 53 HB2 ASP 7 2HB ASP 7 1.194 -9.136 -1.936 54 HB3 ASP 7 1HB ASP 7 0.256 -8.515 -3.291 55 H VAL 8 H VAL 8 3.209 -5.156 -3.110 56 HA VAL 8 HA VAL 8 1.866 -4.345 -5.514 57 HB VAL 8 HB VAL 8 3.609 -2.599 -5.652 58 HG11 VAL 8 1HG1 VAL 8 1.684 -2.038 -4.394 59 HG12 VAL 8 2HG1 VAL 8 3.068 -1.509 -3.440 60 HG13 VAL 8 3HG1 VAL 8 2.219 -2.995 -3.013 61 HG21 VAL 8 3HG2 VAL 8 4.713 -3.863 -3.144 62 HG22 VAL 8 1HG2 VAL 8 5.286 -2.384 -3.913 63 HG23 VAL 8 2HG2 VAL 8 5.468 -3.931 -4.737 64 H ASN 9 H ASN 9 4.860 -6.010 -4.718 65 HA ASN 9 HA ASN 9 5.837 -5.996 -7.420 66 HB2 ASN 9 2HB ASN 9 7.533 -7.622 -6.492 67 HB3 ASN 9 1HB ASN 9 7.485 -6.051 -5.697 68 HD21 ASN 9 1HD2 ASN 9 8.462 -6.967 -3.866 69 HD22 ASN 9 2HD2 ASN 9 7.561 -7.934 -2.754 70 H ASP 10 H ASP 10 3.456 -7.761 -5.847 71 HA ASP 10 HA ASP 10 2.268 -9.624 -6.373 72 HB2 ASP 10 2HB ASP 10 3.510 -8.894 -9.001 73 HB3 ASP 10 1HB ASP 10 2.597 -10.393 -8.859 74 H ASP 11 H ASP 11 4.178 -10.369 -4.830 75 HA ASP 11 HA ASP 11 5.577 -12.600 -6.151 76 HB2 ASP 11 2HB ASP 11 7.114 -12.524 -4.166 77 HB3 ASP 11 1HB ASP 11 7.169 -11.088 -5.184 78 H GLY 12 H GLY 12 3.150 -11.785 -3.890 79 HA2 GLY 12 2HA GLY 12 1.611 -13.374 -3.051 80 HA3 GLY 12 1HA GLY 12 2.836 -14.620 -3.231 81 H LYS 13 H LYS 13 3.759 -11.638 -1.753 82 HA LYS 13 HA LYS 13 3.133 -12.340 0.933 83 HB2 LYS 13 2HB LYS 13 5.168 -13.840 0.062 84 HB3 LYS 13 1HB LYS 13 6.077 -12.404 0.513 85 HG2 LYS 13 2HG LYS 13 4.130 -13.556 2.451 86 HG3 LYS 13 1HG LYS 13 5.698 -14.335 2.225 87 HD2 LYS 13 2HD LYS 13 6.750 -12.748 3.391 88 HD3 LYS 13 1HD LYS 13 5.951 -11.459 2.490 89 HE2 LYS 13 2HE LYS 13 4.461 -11.104 4.118 90 HE3 LYS 13 1HE LYS 13 4.164 -12.828 4.337 91 HZ1 LYS 13 3HZ LYS 13 5.352 -11.305 6.156 92 HZ2 LYS 13 1HZ LYS 13 6.716 -11.843 5.312 93 HZ3 LYS 13 2HZ LYS 13 5.653 -12.963 6.002 94 H VAL 14 H VAL 14 3.325 -10.600 2.255 95 HA VAL 14 HA VAL 14 4.101 -8.098 1.032 96 HB VAL 14 HB VAL 14 3.134 -8.554 3.856 97 HG11 VAL 14 1HG1 VAL 14 4.221 -6.386 3.409 98 HG12 VAL 14 2HG1 VAL 14 2.507 -6.219 3.790 99 HG13 VAL 14 3HG1 VAL 14 3.056 -6.090 2.119 100 HG21 VAL 14 3HG2 VAL 14 0.903 -7.870 2.934 101 HG22 VAL 14 1HG2 VAL 14 1.463 -9.462 2.417 102 HG23 VAL 14 2HG2 VAL 14 1.578 -8.087 1.318 103 H ASN 15 H ASN 15 6.279 -7.918 0.875 104 HA ASN 15 HA ASN 15 7.847 -8.235 3.350 105 HB2 ASN 15 2HB ASN 15 8.349 -9.628 1.188 106 HB3 ASN 15 1HB ASN 15 9.101 -8.138 0.627 107 HD21 ASN 15 1HD2 ASN 15 10.503 -10.495 0.984 108 HD22 ASN 15 2HD2 ASN 15 11.622 -10.291 2.282 109 H SER 16 H SER 16 9.876 -6.793 3.320 110 HA SER 16 HA SER 16 9.077 -4.117 3.434 111 HB2 SER 16 2HB SER 16 11.394 -3.591 3.863 112 HB3 SER 16 1HB SER 16 11.022 -5.119 4.660 113 HG SER 16 HG SER 16 11.895 -6.107 2.668 114 H THR 17 H THR 17 10.445 -6.000 0.838 115 HA THR 17 HA THR 17 11.355 -3.947 -0.828 116 HB THR 17 HB THR 17 10.161 -6.615 -1.604 117 HG1 THR 17 1HG THR 17 12.878 -5.897 -1.249 118 HG21 THR 17 3HG2 THR 17 10.514 -4.813 -3.427 119 HG22 THR 17 1HG2 THR 17 11.115 -6.450 -3.690 120 HG23 THR 17 2HG2 THR 17 12.225 -5.171 -3.199 121 H ASP 18 H ASP 18 8.141 -5.151 -0.199 122 HA ASP 18 HA ASP 18 6.874 -3.959 -2.447 123 HB2 ASP 18 2HB ASP 18 5.806 -4.921 0.210 124 HB3 ASP 18 1HB ASP 18 4.775 -4.296 -1.073 125 H ALA 19 H ALA 19 7.555 -2.893 0.837 126 HA ALA 19 HA ALA 19 5.975 -0.553 0.794 127 HB1 ALA 19 1HB ALA 19 8.447 -0.500 2.401 128 HB2 ALA 19 2HB ALA 19 7.344 -1.840 2.717 129 HB3 ALA 19 3HB ALA 19 6.778 -0.177 2.870 130 H VAL 20 H VAL 20 9.442 -1.060 0.167 131 HA VAL 20 HA VAL 20 10.091 1.604 -0.395 132 HB VAL 20 HB VAL 20 11.791 -0.121 -0.001 133 HG11 VAL 20 1HG1 VAL 20 10.910 -2.021 -1.104 134 HG12 VAL 20 2HG1 VAL 20 12.406 -1.609 -1.942 135 HG13 VAL 20 3HG1 VAL 20 10.850 -1.182 -2.654 136 HG21 VAL 20 3HG2 VAL 20 12.524 1.889 -1.080 137 HG22 VAL 20 1HG2 VAL 20 11.989 1.299 -2.653 138 HG23 VAL 20 2HG2 VAL 20 13.349 0.526 -1.837 139 H ALA 21 H ALA 21 8.655 -0.895 -2.378 140 HA ALA 21 HA ALA 21 9.014 0.445 -4.872 141 HB1 ALA 21 1HB ALA 21 8.718 -1.920 -4.908 142 HB2 ALA 21 2HB ALA 21 7.307 -1.202 -5.685 143 HB3 ALA 21 3HB ALA 21 7.193 -1.802 -4.031 144 H LEU 22 H LEU 22 6.470 0.349 -2.444 145 HA LEU 22 HA LEU 22 4.522 1.738 -3.978 146 HB2 LEU 22 2HB LEU 22 4.263 0.301 -1.823 147 HB3 LEU 22 1HB LEU 22 4.618 1.799 -0.983 148 HG LEU 22 HG LEU 22 2.678 2.851 -2.156 149 HD11 LEU 22 1HD1 LEU 22 2.818 0.735 -3.850 150 HD12 LEU 22 2HD1 LEU 22 1.408 1.777 -3.661 151 HD13 LEU 22 3HD1 LEU 22 1.495 0.244 -2.794 152 HD21 LEU 22 3HD2 LEU 22 1.281 2.236 -0.490 153 HD22 LEU 22 1HD2 LEU 22 2.729 1.437 0.123 154 HD23 LEU 22 2HD2 LEU 22 1.523 0.513 -0.773 155 H LYS 23 H LYS 23 7.167 2.727 -1.930 156 HA LYS 23 HA LYS 23 6.349 5.424 -1.573 157 HB2 LYS 23 2HB LYS 23 8.188 3.952 -0.356 158 HB3 LYS 23 1HB LYS 23 9.238 4.681 -1.564 159 HG2 LYS 23 2HG LYS 23 7.442 6.402 0.088 160 HG3 LYS 23 1HG LYS 23 8.967 5.807 0.751 161 HD2 LYS 23 2HD LYS 23 10.239 6.937 -0.864 162 HD3 LYS 23 1HD LYS 23 8.839 7.193 -1.910 163 HE2 LYS 23 2HE LYS 23 7.883 8.696 -0.194 164 HE3 LYS 23 1HE LYS 23 9.347 8.489 0.767 165 HZ1 LYS 23 3HZ LYS 23 9.758 9.321 -1.982 166 HZ2 LYS 23 1HZ LYS 23 10.515 9.850 -0.564 167 HZ3 LYS 23 2HZ LYS 23 8.995 10.458 -0.990 168 H ARG 24 H ARG 24 8.513 3.819 -3.876 169 HA ARG 24 HA ARG 24 9.419 6.111 -5.205 170 HB2 ARG 24 2HB ARG 24 9.008 3.323 -6.300 171 HB3 ARG 24 1HB ARG 24 9.955 4.585 -7.073 172 HG2 ARG 24 2HG ARG 24 10.965 4.384 -4.476 173 HG3 ARG 24 1HG ARG 24 10.716 2.724 -5.021 174 HD2 ARG 24 2HD ARG 24 12.737 2.978 -5.969 175 HD3 ARG 24 1HD ARG 24 11.841 3.829 -7.226 176 HE ARG 24 HE ARG 24 12.924 5.730 -6.607 177 HH11 ARG 24 1HH1 ARG 24 12.962 3.534 -3.895 178 HH12 ARG 24 2HH1 ARG 24 13.941 4.569 -2.910 179 HH21 ARG 24 1HH2 ARG 24 14.211 7.093 -5.313 180 HH22 ARG 24 2HH2 ARG 24 14.649 6.590 -3.714 181 H TYR 25 H TYR 25 6.528 4.152 -5.660 182 HA TYR 25 HA TYR 25 5.656 5.243 -8.086 183 HB2 TYR 25 2HB TYR 25 4.734 3.204 -6.891 184 HB3 TYR 25 1HB TYR 25 3.850 4.315 -5.851 185 HD1 TYR 25 2HD TYR 25 4.464 4.400 -9.531 186 HD2 TYR 25 1HD TYR 25 1.606 4.093 -6.395 187 HE1 TYR 25 2HE TYR 25 2.646 4.492 -11.186 188 HE2 TYR 25 1HE TYR 25 -0.219 4.184 -8.040 189 HH TYR 25 HH TYR 25 0.237 5.123 -11.241 190 H VAL 26 H VAL 26 4.732 6.126 -4.760 191 HA VAL 26 HA VAL 26 3.139 8.336 -5.496 192 HB VAL 26 HB VAL 26 4.578 7.982 -2.869 193 HG11 VAL 26 1HG1 VAL 26 2.031 9.422 -3.601 194 HG12 VAL 26 2HG1 VAL 26 3.570 10.173 -3.181 195 HG13 VAL 26 3HG1 VAL 26 2.680 9.250 -1.970 196 HG21 VAL 26 3HG2 VAL 26 2.131 7.033 -2.355 197 HG22 VAL 26 1HG2 VAL 26 3.472 6.003 -2.859 198 HG23 VAL 26 2HG2 VAL 26 2.278 6.539 -4.042 199 H LEU 27 H LEU 27 6.533 7.934 -5.374 200 HA LEU 27 HA LEU 27 7.088 10.763 -5.024 201 HB2 LEU 27 2HB LEU 27 8.509 8.850 -4.105 202 HB3 LEU 27 1HB LEU 27 9.068 8.619 -5.751 203 HG LEU 27 HG LEU 27 9.884 10.984 -5.741 204 HD11 LEU 27 1HD1 LEU 27 9.918 11.124 -2.823 205 HD12 LEU 27 2HD1 LEU 27 8.309 11.269 -3.529 206 HD13 LEU 27 3HD1 LEU 27 9.589 12.377 -4.017 207 HD21 LEU 27 3HD2 LEU 27 11.149 8.780 -4.990 208 HD22 LEU 27 1HD2 LEU 27 11.209 9.640 -3.451 209 HD23 LEU 27 2HD2 LEU 27 11.908 10.369 -4.896 210 H ARG 28 H ARG 28 5.755 9.333 -7.490 211 HA ARG 28 HA ARG 28 5.656 9.671 -9.735 212 HB2 ARG 28 2HB ARG 28 7.226 12.114 -8.918 213 HB3 ARG 28 1HB ARG 28 6.674 11.840 -10.565 214 HG2 ARG 28 2HG ARG 28 4.414 12.005 -9.950 215 HG3 ARG 28 1HG ARG 28 4.788 11.853 -8.232 216 HD2 ARG 28 2HD ARG 28 4.234 14.162 -8.854 217 HD3 ARG 28 1HD ARG 28 5.883 14.015 -8.249 218 HE ARG 28 HE ARG 28 6.652 14.683 -10.295 219 HH11 ARG 28 1HH1 ARG 28 3.315 13.717 -10.616 220 HH12 ARG 28 2HH1 ARG 28 3.182 14.269 -12.251 221 HH21 ARG 28 1HH2 ARG 28 6.480 15.411 -12.446 222 HH22 ARG 28 2HH2 ARG 28 4.978 15.230 -13.291 223 H SER 29 H SER 29 7.650 7.909 -8.814 224 HA SER 29 HA SER 29 10.098 8.443 -10.237 225 HB2 SER 29 2HB SER 29 9.135 5.905 -8.896 226 HB3 SER 29 1HB SER 29 10.772 6.205 -9.477 227 HG SER 29 HG SER 29 10.763 8.043 -7.993 228 H GLY 30 H GLY 30 7.098 7.540 -11.277 229 HA2 GLY 30 2HA GLY 30 6.350 6.731 -13.291 230 HA3 GLY 30 1HA GLY 30 8.011 6.814 -13.858 231 H ILE 31 H ILE 31 7.079 4.945 -11.059 232 HA ILE 31 HA ILE 31 7.913 2.518 -12.466 233 HB ILE 31 HB ILE 31 9.010 3.010 -10.326 234 HG12 ILE 31 2HG1 ILE 31 7.197 0.600 -10.091 235 HG13 ILE 31 1HG1 ILE 31 8.638 0.657 -11.100 236 HG21 ILE 31 1HG2 ILE 31 7.727 2.814 -8.224 237 HG22 ILE 31 2HG2 ILE 31 6.239 2.752 -9.169 238 HG23 ILE 31 3HG2 ILE 31 7.243 4.200 -9.199 239 HD11 ILE 31 3HD1 ILE 31 8.895 -0.450 -8.862 240 HD12 ILE 31 1HD1 ILE 31 8.701 1.146 -8.140 241 HD13 ILE 31 2HD1 ILE 31 10.056 0.829 -9.223 242 H SER 32 H SER 32 6.574 0.852 -12.888 243 HA SER 32 HA SER 32 3.735 1.253 -12.380 244 HB2 SER 32 2HB SER 32 4.419 0.654 -14.654 245 HB3 SER 32 1HB SER 32 5.169 -0.824 -14.053 246 HG SER 32 HG SER 32 2.577 -0.337 -14.659 247 H ILE 33 H ILE 33 2.792 0.386 -10.663 248 HA ILE 33 HA ILE 33 3.836 -2.166 -9.621 249 HB ILE 33 HB ILE 33 3.335 -1.470 -7.362 250 HG12 ILE 33 2HG1 ILE 33 2.474 1.166 -8.581 251 HG13 ILE 33 1HG1 ILE 33 1.406 -0.024 -7.843 252 HG21 ILE 33 1HG2 ILE 33 5.487 -0.863 -7.577 253 HG22 ILE 33 2HG2 ILE 33 4.842 0.776 -7.493 254 HG23 ILE 33 3HG2 ILE 33 5.190 0.045 -9.060 255 HD11 ILE 33 3HD1 ILE 33 3.263 0.471 -5.873 256 HD12 ILE 33 1HD1 ILE 33 1.639 1.150 -5.976 257 HD13 ILE 33 2HD1 ILE 33 3.013 2.050 -6.617 258 H ASN 34 H ASN 34 2.116 -3.100 -7.996 259 HA ASN 34 HA ASN 34 -0.333 -3.379 -9.537 260 HB2 ASN 34 2HB ASN 34 1.194 -5.179 -8.130 261 HB3 ASN 34 1HB ASN 34 -0.133 -4.873 -7.015 262 HD21 ASN 34 1HD2 ASN 34 -1.911 -6.014 -7.282 263 HD22 ASN 34 2HD2 ASN 34 -2.356 -6.878 -8.710 264 H THR 35 H THR 35 -1.830 -1.868 -9.180 265 HA THR 35 HA THR 35 -2.088 -0.516 -6.663 266 HB THR 35 HB THR 35 -3.984 0.638 -7.734 267 HG1 THR 35 1HG THR 35 -3.464 -1.011 -9.976 268 HG21 THR 35 3HG2 THR 35 -2.515 1.984 -8.679 269 HG22 THR 35 1HG2 THR 35 -2.390 0.887 -10.055 270 HG23 THR 35 2HG2 THR 35 -1.311 0.695 -8.672 271 H ASP 36 H ASP 36 -3.592 -3.225 -8.233 272 HA ASP 36 HA ASP 36 -5.986 -3.382 -6.795 273 HB2 ASP 36 2HB ASP 36 -4.429 -5.089 -8.542 274 HB3 ASP 36 1HB ASP 36 -5.154 -6.022 -7.238 275 H ASN 37 H ASN 37 -2.766 -4.662 -6.088 276 HA ASN 37 HA ASN 37 -3.646 -5.746 -3.543 277 HB2 ASN 37 2HB ASN 37 -0.868 -5.619 -4.736 278 HB3 ASN 37 1HB ASN 37 -1.346 -6.549 -3.320 279 HD21 ASN 37 1HD2 ASN 37 -0.138 -7.909 -5.223 280 HD22 ASN 37 2HD2 ASN 37 -1.247 -8.888 -6.116 281 H ALA 38 H ALA 38 -1.841 -3.014 -4.787 282 HA ALA 38 HA ALA 38 -0.658 -2.109 -2.423 283 HB1 ALA 38 1HB ALA 38 -0.126 -1.255 -4.679 284 HB2 ALA 38 2HB ALA 38 -0.444 0.032 -3.516 285 HB3 ALA 38 3HB ALA 38 -1.675 -0.413 -4.699 286 H ASP 39 H ASP 39 -3.870 -1.490 -3.774 287 HA ASP 39 HA ASP 39 -4.683 0.435 -1.891 288 HB2 ASP 39 2HB ASP 39 -5.781 -0.284 -4.135 289 HB3 ASP 39 1HB ASP 39 -6.604 -1.497 -3.159 290 H LEU 40 H LEU 40 -4.315 -0.076 0.214 291 HA LEU 40 HA LEU 40 -5.178 -2.642 1.268 292 HB2 LEU 40 2HB LEU 40 -3.894 -0.286 2.652 293 HB3 LEU 40 1HB LEU 40 -4.192 -1.853 3.379 294 HG LEU 40 HG LEU 40 -2.385 -1.418 1.003 295 HD11 LEU 40 1HD1 LEU 40 -1.102 -0.411 2.575 296 HD12 LEU 40 2HD1 LEU 40 -0.702 -2.085 2.959 297 HD13 LEU 40 3HD1 LEU 40 -1.907 -1.225 3.916 298 HD21 LEU 40 3HD2 LEU 40 -3.580 -3.716 1.784 299 HD22 LEU 40 1HD2 LEU 40 -2.101 -3.770 2.743 300 HD23 LEU 40 2HD2 LEU 40 -2.008 -3.636 0.987 301 H ASN 41 H ASN 41 -6.281 0.642 1.128 302 HA ASN 41 HA ASN 41 -8.337 0.111 3.145 303 HB2 ASN 41 2HB ASN 41 -8.770 2.517 3.097 304 HB3 ASN 41 1HB ASN 41 -7.062 2.199 3.380 305 HD21 ASN 41 1HD2 ASN 41 -7.262 4.579 2.670 306 HD22 ASN 41 2HD2 ASN 41 -6.988 4.871 0.991 307 H GLU 42 H GLU 42 -7.928 -0.031 -0.184 308 HA GLU 42 HA GLU 42 -9.358 -0.335 -1.922 309 HB2 GLU 42 2HB GLU 42 -11.447 -0.624 0.247 310 HB3 GLU 42 1HB GLU 42 -11.638 -1.101 -1.435 311 HG2 GLU 42 2HG GLU 42 -9.672 -2.651 -1.075 312 HG3 GLU 42 1HG GLU 42 -9.848 -2.314 0.646 313 H ASP 43 H ASP 43 -8.780 2.313 -1.062 314 HA ASP 43 HA ASP 43 -11.194 3.866 -1.109 315 HB2 ASP 43 2HB ASP 43 -9.635 5.805 -1.273 316 HB3 ASP 43 1HB ASP 43 -9.287 4.739 0.085 317 H GLY 44 H GLY 44 -9.220 2.415 -3.486 318 HA2 GLY 44 2HA GLY 44 -9.796 2.279 -5.762 319 HA3 GLY 44 1HA GLY 44 -10.791 3.714 -5.574 320 H ARG 45 H ARG 45 -7.668 3.972 -4.218 321 HA ARG 45 HA ARG 45 -6.258 4.789 -6.549 322 HB2 ARG 45 2HB ARG 45 -6.057 7.224 -5.736 323 HB3 ARG 45 1HB ARG 45 -7.516 6.759 -6.600 324 HG2 ARG 45 2HG ARG 45 -7.664 6.448 -3.688 325 HG3 ARG 45 1HG ARG 45 -7.472 8.108 -4.254 326 HD2 ARG 45 2HD ARG 45 -9.366 7.438 -5.927 327 HD3 ARG 45 1HD ARG 45 -9.696 6.177 -4.742 328 HE ARG 45 HE ARG 45 -10.531 7.771 -3.321 329 HH11 ARG 45 1HH1 ARG 45 -8.784 9.346 -5.898 330 HH12 ARG 45 2HH1 ARG 45 -9.317 10.934 -5.457 331 HH21 ARG 45 1HH2 ARG 45 -11.235 9.857 -2.740 332 HH22 ARG 45 2HH2 ARG 45 -10.709 11.224 -3.664 333 H VAL 46 H VAL 46 -4.105 4.834 -6.164 334 HA VAL 46 HA VAL 46 -3.235 4.203 -3.466 335 HB VAL 46 HB VAL 46 -1.533 4.414 -5.950 336 HG11 VAL 46 1HG1 VAL 46 -0.089 2.824 -4.654 337 HG12 VAL 46 2HG1 VAL 46 -1.118 3.133 -3.256 338 HG13 VAL 46 3HG1 VAL 46 -0.195 4.450 -3.981 339 HG21 VAL 46 3HG2 VAL 46 -3.038 2.052 -4.834 340 HG22 VAL 46 1HG2 VAL 46 -1.758 1.930 -6.042 341 HG23 VAL 46 2HG2 VAL 46 -3.243 2.805 -6.416 342 H ASN 47 H ASN 47 -3.257 6.052 -2.263 343 HA ASN 47 HA ASN 47 -1.651 8.315 -3.252 344 HB2 ASN 47 2HB ASN 47 -3.471 8.628 -0.908 345 HB3 ASN 47 1HB ASN 47 -3.028 9.797 -2.147 346 HD21 ASN 47 1HD2 ASN 47 -5.268 7.430 -1.146 347 HD22 ASN 47 2HD2 ASN 47 -6.347 7.547 -2.490 348 H SER 48 H SER 48 -1.102 9.656 -0.981 349 HA SER 48 HA SER 48 1.087 8.268 0.091 350 HB2 SER 48 2HB SER 48 1.456 10.160 1.447 351 HB3 SER 48 1HB SER 48 0.652 10.809 0.018 352 HG SER 48 HG SER 48 -0.103 11.324 2.339 353 H THR 49 H THR 49 -2.248 8.430 1.041 354 HA THR 49 HA THR 49 -2.052 7.625 3.714 355 HB THR 49 HB THR 49 -4.236 7.055 1.700 356 HG1 THR 49 1HG THR 49 -3.850 9.268 2.020 357 HG21 THR 49 3HG2 THR 49 -4.368 5.652 3.763 358 HG22 THR 49 1HG2 THR 49 -5.742 6.726 3.496 359 HG23 THR 49 2HG2 THR 49 -4.513 7.148 4.689 360 H ASP 50 H ASP 50 -2.571 5.657 0.790 361 HA ASP 50 HA ASP 50 -2.603 3.158 2.017 362 HB2 ASP 50 2HB ASP 50 -1.622 3.912 -0.744 363 HB3 ASP 50 1HB ASP 50 -1.953 2.266 -0.213 364 H LEU 51 H LEU 51 0.125 5.065 0.817 365 HA LEU 51 HA LEU 51 2.150 3.181 1.123 366 HB2 LEU 51 2HB LEU 51 2.494 5.304 -0.012 367 HB3 LEU 51 1HB LEU 51 2.256 6.176 1.491 368 HG LEU 51 HG LEU 51 4.302 5.061 2.395 369 HD11 LEU 51 1HD1 LEU 51 5.207 4.359 -0.318 370 HD12 LEU 51 2HD1 LEU 51 4.012 3.280 0.402 371 HD13 LEU 51 3HD1 LEU 51 5.540 3.584 1.230 372 HD21 LEU 51 3HD2 LEU 51 4.088 7.298 0.921 373 HD22 LEU 51 1HD2 LEU 51 5.235 6.391 -0.066 374 HD23 LEU 51 2HD2 LEU 51 5.605 6.735 1.624 375 H GLY 52 H GLY 52 0.496 5.137 3.494 376 HA2 GLY 52 2HA GLY 52 2.393 4.585 5.600 377 HA3 GLY 52 1HA GLY 52 0.847 5.401 5.773 378 H ILE 53 H ILE 53 -0.656 3.250 4.493 379 HA ILE 53 HA ILE 53 -1.159 1.673 6.809 380 HB ILE 53 HB ILE 53 -2.160 1.177 4.003 381 HG12 ILE 53 2HG1 ILE 53 -3.490 2.780 6.194 382 HG13 ILE 53 1HG1 ILE 53 -2.600 3.500 4.856 383 HG21 ILE 53 1HG2 ILE 53 -3.582 -0.352 4.852 384 HG22 ILE 53 2HG2 ILE 53 -3.814 0.541 6.354 385 HG23 ILE 53 3HG2 ILE 53 -2.378 -0.461 6.136 386 HD11 ILE 53 3HD1 ILE 53 -4.950 1.677 4.457 387 HD12 ILE 53 1HD1 ILE 53 -4.178 2.736 3.277 388 HD13 ILE 53 2HD1 ILE 53 -5.098 3.427 4.614 389 H LEU 54 H LEU 54 0.637 1.181 3.842 390 HA LEU 54 HA LEU 54 0.978 -1.637 4.181 391 HB2 LEU 54 2HB LEU 54 1.309 0.055 2.095 392 HB3 LEU 54 1HB LEU 54 2.975 -0.138 2.604 393 HG LEU 54 HG LEU 54 1.929 -2.737 2.534 394 HD11 LEU 54 1HD1 LEU 54 1.362 -2.543 -0.071 395 HD12 LEU 54 2HD1 LEU 54 0.719 -0.995 0.479 396 HD13 LEU 54 3HD1 LEU 54 0.129 -2.498 1.190 397 HD21 LEU 54 3HD2 LEU 54 4.175 -2.345 1.976 398 HD22 LEU 54 1HD2 LEU 54 3.750 -1.160 0.741 399 HD23 LEU 54 2HD2 LEU 54 3.419 -2.872 0.473 400 H LYS 55 H LYS 55 3.075 1.186 4.707 401 HA LYS 55 HA LYS 55 5.305 -0.219 5.664 402 HB2 LYS 55 2HB LYS 55 4.567 2.484 5.290 403 HB3 LYS 55 1HB LYS 55 5.078 2.335 6.966 404 HG2 LYS 55 2HG LYS 55 7.167 1.227 6.125 405 HG3 LYS 55 1HG LYS 55 6.659 1.675 4.496 406 HD2 LYS 55 2HD LYS 55 6.779 3.763 6.628 407 HD3 LYS 55 1HD LYS 55 8.270 3.228 5.849 408 HE2 LYS 55 2HE LYS 55 7.360 3.805 3.670 409 HE3 LYS 55 1HE LYS 55 5.834 4.280 4.415 410 HZ1 LYS 55 3HZ LYS 55 6.685 6.226 5.121 411 HZ2 LYS 55 1HZ LYS 55 7.789 5.989 3.861 412 HZ3 LYS 55 2HZ LYS 55 8.216 5.586 5.447 413 H ARG 56 H ARG 56 2.499 1.127 7.343 414 HA ARG 56 HA ARG 56 3.418 0.512 9.960 415 HB2 ARG 56 2HB ARG 56 0.755 1.244 8.784 416 HB3 ARG 56 1HB ARG 56 0.873 0.731 10.461 417 HG2 ARG 56 2HG ARG 56 2.310 2.558 10.997 418 HG3 ARG 56 1HG ARG 56 2.465 3.001 9.295 419 HD2 ARG 56 2HD ARG 56 0.307 3.841 9.185 420 HD3 ARG 56 1HD ARG 56 -0.229 2.924 10.592 421 HE ARG 56 HE ARG 56 1.618 4.608 11.623 422 HH11 ARG 56 1HH1 ARG 56 -1.193 5.097 9.614 423 HH12 ARG 56 2HH1 ARG 56 -1.513 6.682 10.231 424 HH21 ARG 56 1HH2 ARG 56 1.199 6.692 12.437 425 HH22 ARG 56 2HH2 ARG 56 -0.155 7.589 11.833 426 H TYR 57 H TYR 57 1.598 -1.238 7.537 427 HA TYR 57 HA TYR 57 0.659 -3.313 9.224 428 HB2 TYR 57 2HB TYR 57 -0.307 -2.820 7.000 429 HB3 TYR 57 1HB TYR 57 1.181 -3.382 6.244 430 HD1 TYR 57 2HD TYR 57 -1.515 -4.540 8.549 431 HD2 TYR 57 1HD TYR 57 1.353 -5.601 5.591 432 HE1 TYR 57 2HE TYR 57 -2.405 -6.832 8.517 433 HE2 TYR 57 1HE TYR 57 0.470 -7.896 5.550 434 HH TYR 57 HH TYR 57 -1.699 -9.074 7.908 435 H ILE 58 H ILE 58 3.552 -2.930 7.233 436 HA ILE 58 HA ILE 58 4.534 -5.568 7.854 437 HB ILE 58 HB ILE 58 6.055 -3.278 6.608 438 HG12 ILE 58 2HG1 ILE 58 4.596 -5.490 5.157 439 HG13 ILE 58 1HG1 ILE 58 3.891 -3.901 5.436 440 HG21 ILE 58 1HG2 ILE 58 6.882 -5.753 5.587 441 HG22 ILE 58 2HG2 ILE 58 6.748 -5.971 7.332 442 HG23 ILE 58 3HG2 ILE 58 7.768 -4.689 6.678 443 HD11 ILE 58 3HD1 ILE 58 4.837 -4.077 3.207 444 HD12 ILE 58 1HD1 ILE 58 6.414 -4.461 3.895 445 HD13 ILE 58 2HD1 ILE 58 5.697 -2.873 4.165 446 H LEU 59 H LEU 59 4.626 -2.510 9.373 447 HA LEU 59 HA LEU 59 7.060 -3.123 10.863 448 HB2 LEU 59 2HB LEU 59 5.419 -0.708 10.383 449 HB3 LEU 59 1HB LEU 59 6.203 -0.812 11.948 450 HG LEU 59 HG LEU 59 7.584 0.449 10.411 451 HD11 LEU 59 1HD1 LEU 59 9.120 -2.064 10.486 452 HD12 LEU 59 2HD1 LEU 59 8.459 -1.513 12.025 453 HD13 LEU 59 3HD1 LEU 59 9.527 -0.461 11.098 454 HD21 LEU 59 3HD2 LEU 59 8.633 -1.091 8.523 455 HD22 LEU 59 1HD2 LEU 59 7.167 -0.149 8.257 456 HD23 LEU 59 2HD2 LEU 59 7.054 -1.867 8.636 457 H LYS 60 H LYS 60 4.380 -4.540 11.160 458 HA LYS 60 HA LYS 60 3.090 -5.414 12.818 459 HB2 LYS 60 2HB LYS 60 5.367 -4.589 14.626 460 HB3 LYS 60 1HB LYS 60 4.176 -5.845 14.935 461 HG2 LYS 60 2HG LYS 60 5.867 -6.066 12.501 462 HG3 LYS 60 1HG LYS 60 6.587 -6.424 14.073 463 HD2 LYS 60 2HD LYS 60 4.061 -7.707 13.977 464 HD3 LYS 60 1HD LYS 60 4.893 -8.061 12.462 465 HE2 LYS 60 2HE LYS 60 6.901 -8.420 14.244 466 HE3 LYS 60 1HE LYS 60 5.512 -8.910 15.211 467 HZ1 LYS 60 3HZ LYS 60 6.112 -9.980 12.508 468 HZ2 LYS 60 1HZ LYS 60 4.924 -10.530 13.582 469 HZ3 LYS 60 2HZ LYS 60 6.561 -10.743 13.949 470 H GLU 61 H GLU 61 2.763 -2.587 12.179 471 HA GLU 61 HA GLU 61 2.076 -1.376 14.743 472 HB2 GLU 61 2HB GLU 61 1.771 -0.195 11.981 473 HB3 GLU 61 1HB GLU 61 1.719 0.664 13.514 474 HG2 GLU 61 2HG GLU 61 4.186 -0.841 13.061 475 HG3 GLU 61 1HG GLU 61 3.897 0.458 11.904 476 H ILE 62 H ILE 62 0.569 -2.725 11.887 477 HA ILE 62 HA ILE 62 -2.009 -2.657 13.274 478 HB ILE 62 HB ILE 62 -3.157 -2.066 11.137 479 HG12 ILE 62 2HG1 ILE 62 -0.402 -1.193 10.246 480 HG13 ILE 62 1HG1 ILE 62 -1.213 -2.645 9.667 481 HG21 ILE 62 1HG2 ILE 62 -2.872 -0.414 12.888 482 HG22 ILE 62 2HG2 ILE 62 -2.708 0.344 11.304 483 HG23 ILE 62 3HG2 ILE 62 -1.273 -0.004 12.269 484 HD11 ILE 62 3HD1 ILE 62 -2.377 0.109 9.387 485 HD12 ILE 62 1HD1 ILE 62 -2.898 -1.378 8.594 486 HD13 ILE 62 2HD1 ILE 62 -1.352 -0.646 8.166 487 H ASP 63 H ASP 63 -3.143 -4.500 13.078 488 HA ASP 63 HA ASP 63 -2.232 -6.459 11.074 489 HB2 ASP 63 2HB ASP 63 -3.200 -7.002 13.887 490 HB3 ASP 63 1HB ASP 63 -2.779 -8.234 12.701 491 H THR 64 H THR 64 -4.598 -4.429 11.412 492 HA THR 64 HA THR 64 -6.759 -6.356 10.880 493 HB THR 64 HB THR 64 -7.136 -3.438 11.530 494 HG1 THR 64 1HG THR 64 -6.944 -5.628 13.317 495 HG21 THR 64 3HG2 THR 64 -9.215 -4.780 12.626 496 HG22 THR 64 1HG2 THR 64 -8.904 -5.740 11.181 497 HG23 THR 64 2HG2 THR 64 -9.235 -4.014 11.037 498 H LEU 65 H LEU 65 -6.900 -6.693 8.753 499 HA LEU 65 HA LEU 65 -7.093 -4.339 7.006 500 HB2 LEU 65 2HB LEU 65 -5.145 -6.497 6.893 501 HB3 LEU 65 1HB LEU 65 -6.034 -6.335 5.390 502 HG LEU 65 HG LEU 65 -5.397 -3.928 5.324 503 HD11 LEU 65 1HD1 LEU 65 -4.856 -3.137 7.372 504 HD12 LEU 65 2HD1 LEU 65 -3.235 -3.615 6.866 505 HD13 LEU 65 3HD1 LEU 65 -4.180 -4.675 7.911 506 HD21 LEU 65 3HD2 LEU 65 -2.811 -5.334 5.533 507 HD22 LEU 65 1HD2 LEU 65 -3.498 -4.407 4.200 508 HD23 LEU 65 2HD2 LEU 65 -4.015 -6.071 4.475 509 HA PRO 66 HA PRO 66 -7.288 -4.205 4.711 510 HB2 PRO 66 2HB PRO 66 -9.274 -3.117 3.265 511 HB3 PRO 66 1HB PRO 66 -8.472 -4.612 2.769 512 HG2 PRO 66 2HG PRO 66 -11.099 -4.241 4.152 513 HG3 PRO 66 1HG PRO 66 -10.678 -5.340 2.827 514 HD2 PRO 66 2HD PRO 66 -10.834 -6.111 5.448 515 HD3 PRO 66 1HD PRO 66 -9.803 -6.911 4.246 516 H TYR 67 H TYR 67 -7.285 -1.908 4.908 517 HA TYR 67 HA TYR 67 -8.363 -0.963 7.367 518 HB2 TYR 67 2HB TYR 67 -6.206 -0.172 6.507 519 HB3 TYR 67 1HB TYR 67 -7.015 0.558 5.125 520 HD1 TYR 67 2HD TYR 67 -7.494 0.601 8.839 521 HD2 TYR 67 1HD TYR 67 -7.141 2.850 5.245 522 HE1 TYR 67 2HE TYR 67 -7.788 2.681 10.118 523 HE2 TYR 67 1HE TYR 67 -7.433 4.936 6.513 524 HH TYR 67 HH TYR 67 -7.322 5.033 9.941 525 H LYS 68 H LYS 68 -9.936 0.599 7.743 526 HA LYS 68 HA LYS 68 -11.960 0.793 5.645 527 HB2 LYS 68 2HB LYS 68 -13.387 1.697 7.513 528 HB3 LYS 68 1HB LYS 68 -12.830 0.043 7.733 529 HG2 LYS 68 2HG LYS 68 -11.054 2.061 8.885 530 HG3 LYS 68 1HG LYS 68 -12.668 2.021 9.597 531 HD2 LYS 68 2HD LYS 68 -12.410 -0.414 9.948 532 HD3 LYS 68 1HD LYS 68 -10.765 -0.305 9.320 533 HE2 LYS 68 2HE LYS 68 -10.184 -0.011 11.465 534 HE3 LYS 68 1HE LYS 68 -10.754 1.639 11.227 535 HZ1 LYS 68 3HZ LYS 68 -12.066 -0.597 12.605 536 HZ2 LYS 68 1HZ LYS 68 -13.027 0.596 11.887 537 HZ3 LYS 68 2HZ LYS 68 -11.910 1.017 13.086 538 H ASN 69 H ASN 69 -11.210 2.385 4.286 539 HA ASN 69 HA ASN 69 -11.155 5.091 5.436 540 HB2 ASN 69 2HB ASN 69 -8.864 4.032 4.724 541 HB3 ASN 69 1HB ASN 69 -9.413 4.408 3.093 542 HD21 ASN 69 1HD2 ASN 69 -8.862 6.314 2.344 543 HD22 ASN 69 2HD2 ASN 69 -8.459 7.705 3.288 Start of MODEL 16 1 H1 SER 1 1HT SER 1 0.290 -16.492 -8.438 2 H2 SER 1 2HT SER 1 1.939 -16.085 -8.190 3 H3 SER 1 3HT SER 1 0.899 -15.001 -9.021 4 HA SER 1 HA SER 1 0.962 -15.700 -6.177 5 HB2 SER 1 2HB SER 1 1.007 -13.199 -6.017 6 HB3 SER 1 1HB SER 1 2.389 -13.874 -6.880 7 HG SER 1 HG SER 1 0.058 -12.924 -8.181 8 H THR 2 H THR 2 -0.659 -13.943 -5.109 9 HA THR 2 HA THR 2 -3.268 -14.230 -6.436 10 HB THR 2 HB THR 2 -3.140 -15.959 -4.734 11 HG1 THR 2 1HG THR 2 -4.924 -15.276 -3.461 12 HG21 THR 2 3HG2 THR 2 -1.447 -14.945 -3.273 13 HG22 THR 2 1HG2 THR 2 -2.874 -15.485 -2.390 14 HG23 THR 2 2HG2 THR 2 -2.645 -13.770 -2.731 15 H LYS 3 H LYS 3 -4.808 -12.622 -5.952 16 HA LYS 3 HA LYS 3 -3.770 -10.030 -5.620 17 HB2 LYS 3 2HB LYS 3 -6.150 -11.101 -6.499 18 HB3 LYS 3 1HB LYS 3 -6.622 -10.304 -5.004 19 HG2 LYS 3 2HG LYS 3 -4.948 -8.512 -6.394 20 HG3 LYS 3 1HG LYS 3 -6.095 -9.165 -7.564 21 HD2 LYS 3 2HD LYS 3 -7.882 -8.194 -6.555 22 HD3 LYS 3 1HD LYS 3 -7.192 -8.353 -4.938 23 HE2 LYS 3 2HE LYS 3 -5.481 -6.574 -6.034 24 HE3 LYS 3 1HE LYS 3 -6.963 -6.162 -6.896 25 HZ1 LYS 3 3HZ LYS 3 -6.293 -5.819 -4.092 26 HZ2 LYS 3 1HZ LYS 3 -7.874 -6.334 -4.405 27 HZ3 LYS 3 2HZ LYS 3 -7.302 -4.895 -5.086 28 H LEU 4 H LEU 4 -2.611 -9.950 -3.683 29 HA LEU 4 HA LEU 4 -4.216 -10.124 -1.222 30 HB2 LEU 4 2HB LEU 4 -1.714 -11.220 -1.873 31 HB3 LEU 4 1HB LEU 4 -1.374 -9.906 -0.762 32 HG LEU 4 HG LEU 4 -3.577 -11.500 0.213 33 HD11 LEU 4 1HD1 LEU 4 -1.222 -12.937 -0.841 34 HD12 LEU 4 2HD1 LEU 4 -2.881 -13.488 -0.606 35 HD13 LEU 4 3HD1 LEU 4 -1.779 -13.397 0.768 36 HD21 LEU 4 3HD2 LEU 4 -0.815 -10.888 1.254 37 HD22 LEU 4 1HD2 LEU 4 -2.096 -11.662 2.186 38 HD23 LEU 4 2HD2 LEU 4 -2.300 -10.007 1.610 39 H TYR 5 H TYR 5 -3.738 -8.546 0.469 40 HA TYR 5 HA TYR 5 -3.593 -5.889 -0.632 41 HB2 TYR 5 2HB TYR 5 -3.898 -6.863 2.216 42 HB3 TYR 5 1HB TYR 5 -3.985 -5.174 1.726 43 HD1 TYR 5 1HD TYR 5 -5.820 -4.493 0.101 44 HD2 TYR 5 2HD TYR 5 -5.792 -8.248 2.101 45 HE1 TYR 5 1HE TYR 5 -8.223 -4.746 -0.353 46 HE2 TYR 5 2HE TYR 5 -8.194 -8.511 1.652 47 HH TYR 5 HH TYR 5 -9.824 -7.402 -0.359 48 H GLY 6 H GLY 6 -1.736 -4.893 -1.022 49 HA2 GLY 6 2HA GLY 6 0.222 -3.816 -0.104 50 HA3 GLY 6 1HA GLY 6 0.463 -5.229 0.912 51 H ASP 7 H ASP 7 -0.139 -7.033 -1.385 52 HA ASP 7 HA ASP 7 2.507 -7.442 -2.260 53 HB2 ASP 7 2HB ASP 7 0.822 -9.242 -2.123 54 HB3 ASP 7 1HB ASP 7 -0.063 -8.506 -3.454 55 H VAL 8 H VAL 8 3.124 -5.380 -3.110 56 HA VAL 8 HA VAL 8 1.817 -4.387 -5.488 57 HB VAL 8 HB VAL 8 3.707 -2.722 -5.495 58 HG11 VAL 8 1HG1 VAL 8 2.200 -2.889 -2.891 59 HG12 VAL 8 2HG1 VAL 8 1.497 -2.342 -4.413 60 HG13 VAL 8 3HG1 VAL 8 2.819 -1.436 -3.678 61 HG21 VAL 8 3HG2 VAL 8 5.355 -2.702 -3.907 62 HG22 VAL 8 1HG2 VAL 8 5.125 -4.440 -4.088 63 HG23 VAL 8 2HG2 VAL 8 4.386 -3.591 -2.730 64 H ASN 9 H ASN 9 4.638 -6.284 -4.683 65 HA ASN 9 HA ASN 9 5.718 -6.132 -7.366 66 HB2 ASN 9 2HB ASN 9 7.396 -7.786 -6.452 67 HB3 ASN 9 1HB ASN 9 7.346 -6.231 -5.629 68 HD21 ASN 9 1HD2 ASN 9 8.412 -7.428 -3.915 69 HD22 ASN 9 2HD2 ASN 9 7.451 -8.317 -2.788 70 H ASP 10 H ASP 10 3.272 -7.882 -5.922 71 HA ASP 10 HA ASP 10 2.055 -9.693 -6.554 72 HB2 ASP 10 2HB ASP 10 3.649 -9.598 -9.123 73 HB3 ASP 10 1HB ASP 10 2.077 -10.353 -8.878 74 H ASP 11 H ASP 11 3.912 -10.386 -4.847 75 HA ASP 11 HA ASP 11 5.241 -12.759 -5.979 76 HB2 ASP 11 2HB ASP 11 6.770 -12.619 -4.022 77 HB3 ASP 11 1HB ASP 11 6.851 -11.201 -5.064 78 H GLY 12 H GLY 12 2.807 -11.681 -3.837 79 HA2 GLY 12 2HA GLY 12 1.177 -13.184 -2.975 80 HA3 GLY 12 1HA GLY 12 2.397 -14.448 -2.952 81 H LYS 13 H LYS 13 4.098 -12.039 -1.731 82 HA LYS 13 HA LYS 13 3.034 -12.268 0.996 83 HB2 LYS 13 2HB LYS 13 4.831 -13.927 0.724 84 HB3 LYS 13 1HB LYS 13 5.930 -12.652 0.217 85 HG2 LYS 13 2HG LYS 13 6.530 -12.778 2.393 86 HG3 LYS 13 1HG LYS 13 5.203 -11.627 2.555 87 HD2 LYS 13 2HD LYS 13 3.934 -13.077 3.706 88 HD3 LYS 13 1HD LYS 13 4.358 -14.426 2.649 89 HE2 LYS 13 2HE LYS 13 6.526 -13.471 4.389 90 HE3 LYS 13 1HE LYS 13 5.153 -14.185 5.231 91 HZ1 LYS 13 3HZ LYS 13 6.814 -15.848 4.709 92 HZ2 LYS 13 1HZ LYS 13 6.718 -15.474 3.060 93 HZ3 LYS 13 2HZ LYS 13 5.390 -16.160 3.852 94 H VAL 14 H VAL 14 3.345 -10.499 2.308 95 HA VAL 14 HA VAL 14 4.190 -8.063 0.932 96 HB VAL 14 HB VAL 14 2.860 -8.288 3.633 97 HG11 VAL 14 1HG1 VAL 14 3.065 -5.976 1.707 98 HG12 VAL 14 2HG1 VAL 14 4.026 -6.172 3.172 99 HG13 VAL 14 3HG1 VAL 14 2.279 -5.958 3.285 100 HG21 VAL 14 3HG2 VAL 14 0.754 -8.035 2.616 101 HG22 VAL 14 1HG2 VAL 14 1.567 -9.292 1.683 102 HG23 VAL 14 2HG2 VAL 14 1.464 -7.649 1.049 103 H ASN 15 H ASN 15 6.372 -7.905 1.058 104 HA ASN 15 HA ASN 15 7.593 -8.085 3.732 105 HB2 ASN 15 2HB ASN 15 9.048 -8.270 1.092 106 HB3 ASN 15 1HB ASN 15 9.669 -8.666 2.691 107 HD21 ASN 15 1HD2 ASN 15 7.982 -9.777 -0.051 108 HD22 ASN 15 2HD2 ASN 15 7.665 -11.382 0.506 109 H SER 16 H SER 16 9.899 -6.762 3.428 110 HA SER 16 HA SER 16 9.122 -4.051 3.581 111 HB2 SER 16 2HB SER 16 11.740 -3.755 3.458 112 HB3 SER 16 1HB SER 16 10.990 -4.490 4.875 113 HG SER 16 HG SER 16 12.643 -5.598 2.981 114 H THR 17 H THR 17 10.385 -6.023 0.996 115 HA THR 17 HA THR 17 11.303 -4.023 -0.731 116 HB THR 17 HB THR 17 10.038 -6.683 -1.425 117 HG1 THR 17 1HG THR 17 11.968 -6.638 -0.034 118 HG21 THR 17 3HG2 THR 17 10.358 -6.214 -3.556 119 HG22 THR 17 1HG2 THR 17 12.077 -5.985 -3.238 120 HG23 THR 17 2HG2 THR 17 10.971 -4.615 -3.137 121 H ASP 18 H ASP 18 8.078 -5.165 -0.029 122 HA ASP 18 HA ASP 18 6.791 -3.982 -2.268 123 HB2 ASP 18 2HB ASP 18 5.816 -4.974 0.403 124 HB3 ASP 18 1HB ASP 18 4.725 -4.202 -0.743 125 H ALA 19 H ALA 19 7.721 -2.824 0.893 126 HA ALA 19 HA ALA 19 6.123 -0.485 0.924 127 HB1 ALA 19 1HB ALA 19 8.712 -0.396 2.330 128 HB2 ALA 19 2HB ALA 19 7.640 -1.726 2.768 129 HB3 ALA 19 3HB ALA 19 7.084 -0.059 2.920 130 H VAL 20 H VAL 20 9.607 -0.890 0.262 131 HA VAL 20 HA VAL 20 10.082 1.742 -0.553 132 HB VAL 20 HB VAL 20 11.891 0.186 0.006 133 HG11 VAL 20 1HG1 VAL 20 12.380 -1.229 -2.328 134 HG12 VAL 20 2HG1 VAL 20 10.646 -1.410 -2.065 135 HG13 VAL 20 3HG1 VAL 20 11.782 -1.884 -0.804 136 HG21 VAL 20 3HG2 VAL 20 12.313 0.998 -2.850 137 HG22 VAL 20 1HG2 VAL 20 13.457 1.018 -1.509 138 HG23 VAL 20 2HG2 VAL 20 12.151 2.200 -1.571 139 H ALA 21 H ALA 21 8.664 -0.941 -2.242 140 HA ALA 21 HA ALA 21 9.041 0.082 -4.880 141 HB1 ALA 21 1HB ALA 21 6.974 -1.593 -5.198 142 HB2 ALA 21 2HB ALA 21 7.581 -2.171 -3.647 143 HB3 ALA 21 3HB ALA 21 8.644 -2.139 -5.054 144 H LEU 22 H LEU 22 6.340 0.105 -2.579 145 HA LEU 22 HA LEU 22 4.513 1.446 -4.264 146 HB2 LEU 22 2HB LEU 22 3.787 0.202 -2.306 147 HB3 LEU 22 1HB LEU 22 4.654 1.303 -1.253 148 HG LEU 22 HG LEU 22 3.144 3.138 -2.014 149 HD11 LEU 22 1HD1 LEU 22 0.917 2.026 -2.972 150 HD12 LEU 22 2HD1 LEU 22 2.102 0.929 -3.682 151 HD13 LEU 22 3HD1 LEU 22 2.192 2.659 -4.013 152 HD21 LEU 22 3HD2 LEU 22 1.405 0.961 -0.961 153 HD22 LEU 22 1HD2 LEU 22 1.543 2.643 -0.450 154 HD23 LEU 22 2HD2 LEU 22 2.795 1.482 -0.008 155 H LYS 23 H LYS 23 6.895 2.586 -1.927 156 HA LYS 23 HA LYS 23 6.148 5.271 -1.810 157 HB2 LYS 23 2HB LYS 23 7.821 4.168 -0.330 158 HB3 LYS 23 1HB LYS 23 8.959 4.170 -1.671 159 HG2 LYS 23 2HG LYS 23 8.889 6.614 -1.726 160 HG3 LYS 23 1HG LYS 23 7.756 6.607 -0.373 161 HD2 LYS 23 2HD LYS 23 10.249 5.086 0.035 162 HD3 LYS 23 1HD LYS 23 10.434 6.836 -0.100 163 HE2 LYS 23 2HE LYS 23 8.521 6.964 1.610 164 HE3 LYS 23 1HE LYS 23 8.857 5.258 1.907 165 HZ1 LYS 23 3HZ LYS 23 10.076 6.548 3.473 166 HZ2 LYS 23 1HZ LYS 23 10.726 7.536 2.263 167 HZ3 LYS 23 2HZ LYS 23 11.190 5.913 2.369 168 H ARG 24 H ARG 24 8.402 3.636 -4.013 169 HA ARG 24 HA ARG 24 9.229 5.899 -5.438 170 HB2 ARG 24 2HB ARG 24 9.015 3.001 -6.255 171 HB3 ARG 24 1HB ARG 24 9.737 4.235 -7.279 172 HG2 ARG 24 2HG ARG 24 11.114 4.659 -5.014 173 HG3 ARG 24 1HG ARG 24 10.780 2.934 -4.852 174 HD2 ARG 24 2HD ARG 24 11.843 2.448 -6.919 175 HD3 ARG 24 1HD ARG 24 11.935 4.155 -7.348 176 HE ARG 24 HE ARG 24 13.346 3.493 -4.933 177 HH11 ARG 24 1HH1 ARG 24 13.553 3.659 -8.414 178 HH12 ARG 24 2HH1 ARG 24 15.278 3.805 -8.429 179 HH21 ARG 24 1HH2 ARG 24 15.615 3.686 -4.951 180 HH22 ARG 24 2HH2 ARG 24 16.449 3.820 -6.464 181 H TYR 25 H TYR 25 6.386 3.870 -5.754 182 HA TYR 25 HA TYR 25 5.549 4.961 -8.261 183 HB2 TYR 25 2HB TYR 25 4.845 2.723 -7.515 184 HB3 TYR 25 1HB TYR 25 3.961 3.448 -6.176 185 HD1 TYR 25 1HD TYR 25 4.001 2.866 -9.790 186 HD2 TYR 25 2HD TYR 25 1.860 4.607 -6.553 187 HE1 TYR 25 1HE TYR 25 2.012 3.071 -11.223 188 HE2 TYR 25 2HE TYR 25 -0.135 4.815 -7.975 189 HH TYR 25 HH TYR 25 -1.083 3.888 -9.966 190 H VAL 26 H VAL 26 4.382 5.367 -4.917 191 HA VAL 26 HA VAL 26 2.498 7.373 -5.517 192 HB VAL 26 HB VAL 26 3.920 7.001 -2.881 193 HG11 VAL 26 1HG1 VAL 26 1.801 7.880 -1.956 194 HG12 VAL 26 2HG1 VAL 26 1.233 8.165 -3.601 195 HG13 VAL 26 3HG1 VAL 26 2.635 9.042 -2.988 196 HG21 VAL 26 3HG2 VAL 26 1.997 5.297 -4.284 197 HG22 VAL 26 1HG2 VAL 26 1.526 5.711 -2.636 198 HG23 VAL 26 2HG2 VAL 26 3.074 4.925 -2.938 199 H LEU 27 H LEU 27 5.931 7.474 -5.096 200 HA LEU 27 HA LEU 27 5.974 10.348 -4.671 201 HB2 LEU 27 2HB LEU 27 7.577 8.608 -3.633 202 HB3 LEU 27 1HB LEU 27 8.379 8.631 -5.192 203 HG LEU 27 HG LEU 27 8.525 11.188 -4.844 204 HD11 LEU 27 1HD1 LEU 27 8.586 10.646 -1.947 205 HD12 LEU 27 2HD1 LEU 27 6.988 10.735 -2.690 206 HD13 LEU 27 3HD1 LEU 27 8.099 12.097 -2.824 207 HD21 LEU 27 3HD2 LEU 27 10.132 9.014 -3.652 208 HD22 LEU 27 1HD2 LEU 27 10.478 10.652 -3.097 209 HD23 LEU 27 2HD2 LEU 27 10.589 10.261 -4.813 210 H ARG 28 H ARG 28 5.265 8.684 -7.287 211 HA ARG 28 HA ARG 28 5.402 9.013 -9.531 212 HB2 ARG 28 2HB ARG 28 6.149 11.736 -8.489 213 HB3 ARG 28 1HB ARG 28 6.068 11.404 -10.214 214 HG2 ARG 28 2HG ARG 28 3.679 10.413 -9.166 215 HG3 ARG 28 1HG ARG 28 3.947 11.954 -8.352 216 HD2 ARG 28 2HD ARG 28 4.318 11.770 -11.308 217 HD3 ARG 28 1HD ARG 28 2.686 11.861 -10.645 218 HE ARG 28 HE ARG 28 3.958 13.909 -9.425 219 HH11 ARG 28 1HH1 ARG 28 3.644 12.958 -12.768 220 HH12 ARG 28 2HH1 ARG 28 3.746 14.579 -13.368 221 HH21 ARG 28 1HH2 ARG 28 4.093 16.042 -10.213 222 HH22 ARG 28 2HH2 ARG 28 4.002 16.329 -11.918 223 H SER 29 H SER 29 7.550 7.660 -8.471 224 HA SER 29 HA SER 29 10.017 8.800 -9.434 225 HB2 SER 29 2HB SER 29 9.839 7.272 -7.429 226 HB3 SER 29 1HB SER 29 9.532 5.949 -8.553 227 HG SER 29 HG SER 29 11.679 5.891 -8.310 228 H GLY 30 H GLY 30 7.603 6.551 -10.582 229 HA2 GLY 30 2HA GLY 30 7.302 6.225 -12.941 230 HA3 GLY 30 1HA GLY 30 9.032 6.447 -13.154 231 H ILE 31 H ILE 31 7.381 4.388 -10.797 232 HA ILE 31 HA ILE 31 8.741 2.075 -12.010 233 HB ILE 31 HB ILE 31 9.438 2.577 -9.703 234 HG12 ILE 31 2HG1 ILE 31 7.794 0.045 -9.745 235 HG13 ILE 31 1HG1 ILE 31 9.298 0.221 -10.644 236 HG21 ILE 31 1HG2 ILE 31 6.839 3.250 -9.259 237 HG22 ILE 31 2HG2 ILE 31 8.036 2.960 -7.997 238 HG23 ILE 31 3HG2 ILE 31 6.935 1.670 -8.481 239 HD11 ILE 31 3HD1 ILE 31 10.466 0.683 -8.524 240 HD12 ILE 31 1HD1 ILE 31 9.719 -0.914 -8.574 241 HD13 ILE 31 2HD1 ILE 31 8.956 0.387 -7.661 242 H SER 32 H SER 32 7.624 0.158 -12.341 243 HA SER 32 HA SER 32 4.713 0.455 -12.466 244 HB2 SER 32 2HB SER 32 6.145 -0.239 -14.488 245 HB3 SER 32 1HB SER 32 6.300 -1.799 -13.682 246 HG SER 32 HG SER 32 4.127 -2.107 -13.855 247 H ILE 33 H ILE 33 3.558 -0.371 -10.862 248 HA ILE 33 HA ILE 33 4.353 -2.954 -9.722 249 HB ILE 33 HB ILE 33 3.852 -2.205 -7.456 250 HG12 ILE 33 2HG1 ILE 33 3.526 0.533 -8.707 251 HG13 ILE 33 1HG1 ILE 33 2.242 -0.435 -7.993 252 HG21 ILE 33 1HG2 ILE 33 5.936 -1.422 -7.088 253 HG22 ILE 33 2HG2 ILE 33 5.780 -0.133 -8.282 254 HG23 ILE 33 3HG2 ILE 33 6.137 -1.778 -8.803 255 HD11 ILE 33 3HD1 ILE 33 4.515 0.954 -6.629 256 HD12 ILE 33 1HD1 ILE 33 3.597 -0.327 -5.839 257 HD13 ILE 33 2HD1 ILE 33 2.782 1.144 -6.369 258 H ASN 34 H ASN 34 2.464 -3.529 -8.016 259 HA ASN 34 HA ASN 34 0.049 -3.585 -9.642 260 HB2 ASN 34 2HB ASN 34 0.970 -5.669 -8.606 261 HB3 ASN 34 1HB ASN 34 0.602 -4.994 -7.022 262 HD21 ASN 34 1HD2 ASN 34 -0.417 -7.413 -8.112 263 HD22 ASN 34 2HD2 ASN 34 -2.132 -7.244 -8.235 264 H THR 35 H THR 35 -1.029 -1.690 -9.429 265 HA THR 35 HA THR 35 -1.252 -0.254 -6.988 266 HB THR 35 HB THR 35 -2.885 1.129 -8.182 267 HG1 THR 35 1HG THR 35 -2.641 -0.743 -10.295 268 HG21 THR 35 3HG2 THR 35 -0.248 0.574 -9.197 269 HG22 THR 35 1HG2 THR 35 -1.106 2.108 -9.057 270 HG23 THR 35 2HG2 THR 35 -1.337 1.096 -10.483 271 H ASP 36 H ASP 36 -3.146 -2.739 -8.536 272 HA ASP 36 HA ASP 36 -5.547 -2.454 -7.121 273 HB2 ASP 36 2HB ASP 36 -4.451 -4.269 -8.986 274 HB3 ASP 36 1HB ASP 36 -4.965 -5.233 -7.607 275 H ASN 37 H ASN 37 -2.610 -4.281 -6.382 276 HA ASN 37 HA ASN 37 -3.662 -5.292 -3.899 277 HB2 ASN 37 2HB ASN 37 -0.941 -5.392 -5.196 278 HB3 ASN 37 1HB ASN 37 -1.239 -6.040 -3.586 279 HD21 ASN 37 1HD2 ASN 37 -0.317 -7.781 -5.301 280 HD22 ASN 37 2HD2 ASN 37 -1.545 -8.852 -5.874 281 H ALA 38 H ALA 38 -1.625 -2.644 -4.945 282 HA ALA 38 HA ALA 38 -0.476 -1.902 -2.520 283 HB1 ALA 38 1HB ALA 38 -1.357 0.209 -4.429 284 HB2 ALA 38 2HB ALA 38 -0.170 -0.984 -4.959 285 HB3 ALA 38 3HB ALA 38 0.170 0.037 -3.562 286 H ASP 39 H ASP 39 -3.649 -1.128 -3.864 287 HA ASP 39 HA ASP 39 -4.426 0.798 -1.987 288 HB2 ASP 39 2HB ASP 39 -5.568 0.036 -4.196 289 HB3 ASP 39 1HB ASP 39 -6.377 -1.152 -3.179 290 H LEU 40 H LEU 40 -4.017 0.328 0.119 291 HA LEU 40 HA LEU 40 -4.852 -2.216 1.242 292 HB2 LEU 40 2HB LEU 40 -3.505 0.174 2.499 293 HB3 LEU 40 1HB LEU 40 -3.850 -1.330 3.333 294 HG LEU 40 HG LEU 40 -1.961 -0.959 1.009 295 HD11 LEU 40 1HD1 LEU 40 -1.659 -1.140 3.943 296 HD12 LEU 40 2HD1 LEU 40 -0.674 -0.298 2.747 297 HD13 LEU 40 3HD1 LEU 40 -0.495 -2.038 2.968 298 HD21 LEU 40 3HD2 LEU 40 -2.597 -3.085 0.565 299 HD22 LEU 40 1HD2 LEU 40 -3.192 -3.368 2.201 300 HD23 LEU 40 2HD2 LEU 40 -1.462 -3.444 1.866 301 H ASN 41 H ASN 41 -6.109 0.954 0.899 302 HA ASN 41 HA ASN 41 -8.093 0.441 3.009 303 HB2 ASN 41 2HB ASN 41 -8.523 2.851 3.011 304 HB3 ASN 41 1HB ASN 41 -6.820 2.518 3.304 305 HD21 ASN 41 1HD2 ASN 41 -7.535 4.990 2.534 306 HD22 ASN 41 2HD2 ASN 41 -7.036 5.290 0.908 307 H GLU 42 H GLU 42 -7.708 0.293 -0.300 308 HA GLU 42 HA GLU 42 -9.147 0.052 -2.043 309 HB2 GLU 42 2HB GLU 42 -10.822 -0.589 0.329 310 HB3 GLU 42 1HB GLU 42 -11.657 -0.310 -1.193 311 HG2 GLU 42 2HG GLU 42 -9.339 -2.154 -1.213 312 HG3 GLU 42 1HG GLU 42 -10.828 -2.708 -0.449 313 H ASP 43 H ASP 43 -8.519 2.677 -1.210 314 HA ASP 43 HA ASP 43 -10.904 4.275 -1.185 315 HB2 ASP 43 2HB ASP 43 -9.361 6.185 -1.309 316 HB3 ASP 43 1HB ASP 43 -8.867 5.043 -0.063 317 H GLY 44 H GLY 44 -9.028 2.790 -3.623 318 HA2 GLY 44 2HA GLY 44 -9.914 2.686 -5.856 319 HA3 GLY 44 1HA GLY 44 -10.511 4.324 -5.652 320 H ARG 45 H ARG 45 -7.676 4.758 -4.335 321 HA ARG 45 HA ARG 45 -6.018 4.722 -6.720 322 HB2 ARG 45 2HB ARG 45 -5.497 7.184 -6.421 323 HB3 ARG 45 1HB ARG 45 -7.078 6.808 -7.093 324 HG2 ARG 45 2HG ARG 45 -6.859 7.163 -4.154 325 HG3 ARG 45 1HG ARG 45 -6.768 8.593 -5.181 326 HD2 ARG 45 2HD ARG 45 -8.925 6.795 -5.942 327 HD3 ARG 45 1HD ARG 45 -9.073 7.371 -4.282 328 HE ARG 45 HE ARG 45 -9.511 8.877 -6.649 329 HH11 ARG 45 1HH1 ARG 45 -8.293 9.138 -3.389 330 HH12 ARG 45 2HH1 ARG 45 -8.654 10.826 -3.255 331 HH21 ARG 45 1HH2 ARG 45 -9.985 11.099 -6.476 332 HH22 ARG 45 2HH2 ARG 45 -9.614 11.939 -5.007 333 H VAL 46 H VAL 46 -3.810 4.930 -6.301 334 HA VAL 46 HA VAL 46 -3.046 4.275 -3.591 335 HB VAL 46 HB VAL 46 -1.230 4.669 -5.970 336 HG11 VAL 46 1HG1 VAL 46 -0.027 4.666 -3.898 337 HG12 VAL 46 2HG1 VAL 46 0.234 3.112 -4.691 338 HG13 VAL 46 3HG1 VAL 46 -0.894 3.235 -3.341 339 HG21 VAL 46 3HG2 VAL 46 -2.885 3.020 -6.567 340 HG22 VAL 46 1HG2 VAL 46 -2.650 2.177 -5.035 341 HG23 VAL 46 2HG2 VAL 46 -1.355 2.209 -6.234 342 H ASN 47 H ASN 47 -3.204 6.065 -2.311 343 HA ASN 47 HA ASN 47 -1.655 8.435 -3.117 344 HB2 ASN 47 2HB ASN 47 -3.058 9.558 -1.270 345 HB3 ASN 47 1HB ASN 47 -3.862 9.161 -2.784 346 HD21 ASN 47 1HD2 ASN 47 -5.896 8.927 -2.032 347 HD22 ASN 47 2HD2 ASN 47 -6.380 7.708 -0.906 348 H SER 48 H SER 48 -1.114 9.718 -0.902 349 HA SER 48 HA SER 48 1.027 8.377 0.255 350 HB2 SER 48 2HB SER 48 -0.562 10.731 1.301 351 HB3 SER 48 1HB SER 48 0.975 10.193 1.979 352 HG SER 48 HG SER 48 0.455 11.282 -0.574 353 H THR 49 H THR 49 -2.341 8.415 1.136 354 HA THR 49 HA THR 49 -2.171 7.531 3.782 355 HB THR 49 HB THR 49 -4.335 6.699 1.854 356 HG1 THR 49 1HG THR 49 -4.054 9.187 3.186 357 HG21 THR 49 3HG2 THR 49 -5.696 7.348 3.980 358 HG22 THR 49 1HG2 THR 49 -4.166 7.046 4.803 359 HG23 THR 49 2HG2 THR 49 -4.926 5.767 3.856 360 H ASP 50 H ASP 50 -2.420 5.672 0.762 361 HA ASP 50 HA ASP 50 -2.457 3.119 1.898 362 HB2 ASP 50 2HB ASP 50 -1.260 3.934 -0.758 363 HB3 ASP 50 1HB ASP 50 -1.750 2.307 -0.297 364 H LEU 51 H LEU 51 0.271 5.119 0.830 365 HA LEU 51 HA LEU 51 2.321 3.284 1.296 366 HB2 LEU 51 2HB LEU 51 2.478 5.519 0.122 367 HB3 LEU 51 1HB LEU 51 2.525 6.263 1.710 368 HG LEU 51 HG LEU 51 4.581 4.890 2.194 369 HD11 LEU 51 1HD1 LEU 51 4.211 4.216 -0.708 370 HD12 LEU 51 2HD1 LEU 51 4.473 3.127 0.654 371 HD13 LEU 51 3HD1 LEU 51 5.788 4.149 0.077 372 HD21 LEU 51 3HD2 LEU 51 5.888 6.583 1.470 373 HD22 LEU 51 1HD2 LEU 51 4.335 7.323 1.079 374 HD23 LEU 51 2HD2 LEU 51 5.264 6.506 -0.178 375 H GLY 52 H GLY 52 0.611 5.432 3.484 376 HA2 GLY 52 2HA GLY 52 2.387 4.994 5.698 377 HA3 GLY 52 1HA GLY 52 0.810 5.767 5.762 378 H ILE 53 H ILE 53 -0.559 3.505 4.522 379 HA ILE 53 HA ILE 53 -1.059 1.996 6.905 380 HB ILE 53 HB ILE 53 -2.103 1.502 4.112 381 HG12 ILE 53 2HG1 ILE 53 -3.731 2.826 6.228 382 HG13 ILE 53 1HG1 ILE 53 -2.501 3.792 5.420 383 HG21 ILE 53 1HG2 ILE 53 -3.790 0.774 6.374 384 HG22 ILE 53 2HG2 ILE 53 -2.272 -0.122 6.327 385 HG23 ILE 53 3HG2 ILE 53 -3.357 -0.153 4.937 386 HD11 ILE 53 3HD1 ILE 53 -3.615 3.806 3.448 387 HD12 ILE 53 1HD1 ILE 53 -4.990 3.627 4.537 388 HD13 ILE 53 2HD1 ILE 53 -4.330 2.216 3.710 389 H LEU 54 H LEU 54 0.702 1.478 3.924 390 HA LEU 54 HA LEU 54 1.043 -1.331 4.237 391 HB2 LEU 54 2HB LEU 54 1.476 0.448 2.214 392 HB3 LEU 54 1HB LEU 54 3.116 0.125 2.743 393 HG LEU 54 HG LEU 54 1.385 -2.238 2.299 394 HD11 LEU 54 1HD1 LEU 54 2.481 -0.592 0.024 395 HD12 LEU 54 2HD1 LEU 54 0.776 -0.834 0.403 396 HD13 LEU 54 3HD1 LEU 54 1.768 -2.199 -0.112 397 HD21 LEU 54 3HD2 LEU 54 3.697 -2.738 1.057 398 HD22 LEU 54 1HD2 LEU 54 3.479 -2.950 2.794 399 HD23 LEU 54 2HD2 LEU 54 4.243 -1.487 2.174 400 H LYS 55 H LYS 55 2.939 1.500 5.148 401 HA LYS 55 HA LYS 55 5.267 0.158 5.968 402 HB2 LYS 55 2HB LYS 55 4.056 2.825 6.561 403 HB3 LYS 55 1HB LYS 55 5.413 2.276 7.534 404 HG2 LYS 55 2HG LYS 55 6.748 2.000 5.493 405 HG3 LYS 55 1HG LYS 55 5.389 2.597 4.539 406 HD2 LYS 55 2HD LYS 55 6.402 4.249 6.806 407 HD3 LYS 55 1HD LYS 55 7.319 4.211 5.298 408 HE2 LYS 55 2HE LYS 55 5.471 5.043 4.057 409 HE3 LYS 55 1HE LYS 55 4.373 4.816 5.418 410 HZ1 LYS 55 3HZ LYS 55 5.399 7.152 4.851 411 HZ2 LYS 55 1HZ LYS 55 6.677 6.578 5.799 412 HZ3 LYS 55 2HZ LYS 55 5.119 6.681 6.451 413 H ARG 56 H ARG 56 2.436 1.227 7.840 414 HA ARG 56 HA ARG 56 3.310 0.249 10.324 415 HB2 ARG 56 2HB ARG 56 0.754 1.185 9.174 416 HB3 ARG 56 1HB ARG 56 0.613 0.122 10.567 417 HG2 ARG 56 2HG ARG 56 1.523 1.637 11.997 418 HG3 ARG 56 1HG ARG 56 2.522 2.382 10.748 419 HD2 ARG 56 2HD ARG 56 -0.265 2.743 10.141 420 HD3 ARG 56 1HD ARG 56 0.079 3.307 11.776 421 HE ARG 56 HE ARG 56 2.072 4.396 10.292 422 HH11 ARG 56 1HH1 ARG 56 -1.408 4.411 10.035 423 HH12 ARG 56 2HH1 ARG 56 -1.471 5.969 9.280 424 HH21 ARG 56 1HH2 ARG 56 1.992 6.445 9.301 425 HH22 ARG 56 2HH2 ARG 56 0.459 7.123 8.863 426 H TYR 57 H TYR 57 1.669 -1.286 7.642 427 HA TYR 57 HA TYR 57 0.805 -3.615 8.975 428 HB2 TYR 57 2HB TYR 57 0.159 -2.752 6.636 429 HB3 TYR 57 1HB TYR 57 1.627 -3.548 6.079 430 HD1 TYR 57 1HD TYR 57 -1.487 -4.245 8.014 431 HD2 TYR 57 2HD TYR 57 1.528 -5.772 5.430 432 HE1 TYR 57 1HE TYR 57 -2.712 -6.371 7.851 433 HE2 TYR 57 2HE TYR 57 0.312 -7.902 5.259 434 HH TYR 57 HH TYR 57 -2.253 -8.725 7.325 435 H ILE 58 H ILE 58 3.776 -2.879 7.186 436 HA ILE 58 HA ILE 58 4.911 -5.473 7.567 437 HB ILE 58 HB ILE 58 6.380 -2.924 6.893 438 HG12 ILE 58 2HG1 ILE 58 5.288 -4.921 4.914 439 HG13 ILE 58 1HG1 ILE 58 4.375 -3.499 5.407 440 HG21 ILE 58 1HG2 ILE 58 7.249 -5.471 5.741 441 HG22 ILE 58 2HG2 ILE 58 7.391 -5.383 7.496 442 HG23 ILE 58 3HG2 ILE 58 8.191 -4.180 6.484 443 HD11 ILE 58 3HD1 ILE 58 6.676 -2.325 4.725 444 HD12 ILE 58 1HD1 ILE 58 5.362 -2.621 3.587 445 HD13 ILE 58 2HD1 ILE 58 6.733 -3.728 3.659 446 H LEU 59 H LEU 59 4.890 -2.500 9.375 447 HA LEU 59 HA LEU 59 7.115 -3.174 11.055 448 HB2 LEU 59 2HB LEU 59 5.109 -0.994 10.916 449 HB3 LEU 59 1HB LEU 59 5.859 -1.283 12.474 450 HG LEU 59 HG LEU 59 7.480 -0.842 9.975 451 HD11 LEU 59 1HD1 LEU 59 7.752 1.495 10.811 452 HD12 LEU 59 2HD1 LEU 59 6.424 1.189 11.931 453 HD13 LEU 59 3HD1 LEU 59 6.144 1.123 10.190 454 HD21 LEU 59 3HD2 LEU 59 8.328 -1.857 12.255 455 HD22 LEU 59 1HD2 LEU 59 8.348 -0.160 12.737 456 HD23 LEU 59 2HD2 LEU 59 9.299 -0.694 11.351 457 H LYS 60 H LYS 60 4.045 -4.416 10.863 458 HA LYS 60 HA LYS 60 2.863 -5.829 12.195 459 HB2 LYS 60 2HB LYS 60 5.429 -6.290 12.946 460 HB3 LYS 60 1HB LYS 60 4.746 -5.745 14.472 461 HG2 LYS 60 2HG LYS 60 3.257 -7.802 12.935 462 HG3 LYS 60 1HG LYS 60 4.736 -8.285 13.768 463 HD2 LYS 60 2HD LYS 60 3.833 -7.369 15.865 464 HD3 LYS 60 1HD LYS 60 2.345 -6.933 15.021 465 HE2 LYS 60 2HE LYS 60 3.412 -9.746 15.164 466 HE3 LYS 60 1HE LYS 60 2.268 -9.084 16.330 467 HZ1 LYS 60 3HZ LYS 60 1.708 -9.024 13.430 468 HZ2 LYS 60 1HZ LYS 60 0.618 -8.897 14.719 469 HZ3 LYS 60 2HZ LYS 60 1.341 -10.385 14.366 470 H GLU 61 H GLU 61 2.314 -3.097 12.270 471 HA GLU 61 HA GLU 61 1.651 -2.613 15.095 472 HB2 GLU 61 2HB GLU 61 1.696 -0.638 12.806 473 HB3 GLU 61 1HB GLU 61 1.405 -0.261 14.498 474 HG2 GLU 61 2HG GLU 61 3.932 -1.650 13.849 475 HG3 GLU 61 1HG GLU 61 3.778 0.030 13.334 476 H ILE 62 H ILE 62 0.342 -2.868 11.854 477 HA ILE 62 HA ILE 62 -2.376 -2.664 12.979 478 HB ILE 62 HB ILE 62 -3.106 -2.156 10.634 479 HG12 ILE 62 2HG1 ILE 62 -0.161 -1.670 10.153 480 HG13 ILE 62 1HG1 ILE 62 -1.028 -3.086 9.569 481 HG21 ILE 62 1HG2 ILE 62 -2.560 0.169 10.762 482 HG22 ILE 62 2HG2 ILE 62 -1.137 -0.166 11.746 483 HG23 ILE 62 3HG2 ILE 62 -2.749 -0.438 12.407 484 HD11 ILE 62 3HD1 ILE 62 -1.468 -1.928 7.736 485 HD12 ILE 62 1HD1 ILE 62 -0.871 -0.435 8.460 486 HD13 ILE 62 2HD1 ILE 62 -2.546 -0.927 8.708 487 H ASP 63 H ASP 63 -3.702 -4.367 12.795 488 HA ASP 63 HA ASP 63 -2.755 -6.663 11.213 489 HB2 ASP 63 2HB ASP 63 -4.160 -6.460 13.846 490 HB3 ASP 63 1HB ASP 63 -4.428 -7.885 12.846 491 H THR 64 H THR 64 -5.377 -4.469 11.761 492 HA THR 64 HA THR 64 -7.354 -6.036 10.385 493 HB THR 64 HB THR 64 -7.387 -3.093 11.079 494 HG1 THR 64 1HG THR 64 -7.754 -3.707 13.034 495 HG21 THR 64 3HG2 THR 64 -9.180 -3.283 9.671 496 HG22 THR 64 1HG2 THR 64 -9.919 -3.687 11.221 497 HG23 THR 64 2HG2 THR 64 -9.475 -4.969 10.094 498 H LEU 65 H LEU 65 -7.576 -6.228 8.268 499 HA LEU 65 HA LEU 65 -6.891 -4.012 6.511 500 HB2 LEU 65 2HB LEU 65 -5.020 -5.933 6.904 501 HB3 LEU 65 1HB LEU 65 -5.909 -6.632 5.565 502 HG LEU 65 HG LEU 65 -5.434 -4.723 4.173 503 HD11 LEU 65 1HD1 LEU 65 -5.384 -2.770 5.299 504 HD12 LEU 65 2HD1 LEU 65 -3.653 -3.097 5.373 505 HD13 LEU 65 3HD1 LEU 65 -4.686 -3.499 6.745 506 HD21 LEU 65 3HD2 LEU 65 -3.323 -5.337 3.690 507 HD22 LEU 65 1HD2 LEU 65 -3.610 -6.560 4.928 508 HD23 LEU 65 2HD2 LEU 65 -2.755 -5.073 5.338 509 HA PRO 66 HA PRO 66 -6.942 -3.576 4.398 510 HB2 PRO 66 2HB PRO 66 -8.686 -2.190 2.895 511 HB3 PRO 66 1HB PRO 66 -7.909 -3.664 2.304 512 HG2 PRO 66 2HG PRO 66 -10.659 -3.285 3.417 513 HG3 PRO 66 1HG PRO 66 -10.135 -4.254 2.029 514 HD2 PRO 66 2HD PRO 66 -10.649 -5.294 4.512 515 HD3 PRO 66 1HD PRO 66 -9.540 -6.031 3.341 516 H TYR 67 H TYR 67 -7.027 -1.199 4.643 517 HA TYR 67 HA TYR 67 -8.293 -0.502 7.141 518 HB2 TYR 67 2HB TYR 67 -6.029 0.241 6.818 519 HB3 TYR 67 1HB TYR 67 -6.443 1.013 5.292 520 HD1 TYR 67 1HD TYR 67 -6.907 1.214 8.960 521 HD2 TYR 67 2HD TYR 67 -7.269 3.230 5.230 522 HE1 TYR 67 1HE TYR 67 -7.327 3.326 10.148 523 HE2 TYR 67 2HE TYR 67 -7.688 5.348 6.408 524 HH TYR 67 HH TYR 67 -8.483 5.527 9.641 525 H LYS 68 H LYS 68 -10.464 -0.241 6.882 526 HA LYS 68 HA LYS 68 -11.367 1.666 4.831 527 HB2 LYS 68 2HB LYS 68 -12.328 -0.654 4.795 528 HB3 LYS 68 1HB LYS 68 -13.048 -0.320 6.365 529 HG2 LYS 68 2HG LYS 68 -14.731 0.829 5.468 530 HG3 LYS 68 1HG LYS 68 -13.658 1.726 4.390 531 HD2 LYS 68 2HD LYS 68 -13.582 -0.710 3.232 532 HD3 LYS 68 1HD LYS 68 -15.210 -0.738 3.912 533 HE2 LYS 68 2HE LYS 68 -15.918 1.051 2.628 534 HE3 LYS 68 1HE LYS 68 -14.278 1.650 2.377 535 HZ1 LYS 68 3HZ LYS 68 -15.472 -0.773 1.142 536 HZ2 LYS 68 1HZ LYS 68 -13.864 -0.283 0.949 537 HZ3 LYS 68 2HZ LYS 68 -15.119 0.683 0.358 538 H ASN 69 H ASN 69 -10.729 3.464 6.164 539 HA ASN 69 HA ASN 69 -12.640 3.980 8.348 540 HB2 ASN 69 2HB ASN 69 -10.141 3.646 8.958 541 HB3 ASN 69 1HB ASN 69 -9.913 5.242 8.252 542 HD21 ASN 69 1HD2 ASN 69 -11.710 3.465 10.703 543 HD22 ASN 69 2HD2 ASN 69 -11.918 4.800 11.779 Start of MODEL 17 1 H1 SER 1 1HT SER 1 0.813 -12.195 -8.826 2 H2 SER 1 2HT SER 1 0.187 -13.676 -9.423 3 H3 SER 1 3HT SER 1 1.822 -13.577 -8.913 4 HA SER 1 HA SER 1 0.688 -14.657 -7.231 5 HB2 SER 1 2HB SER 1 0.872 -12.953 -5.389 6 HB3 SER 1 1HB SER 1 2.283 -13.026 -6.444 7 HG SER 1 HG SER 1 0.165 -11.173 -6.786 8 H THR 2 H THR 2 -0.963 -14.352 -5.412 9 HA THR 2 HA THR 2 -3.532 -13.894 -6.644 10 HB THR 2 HB THR 2 -3.185 -15.831 -5.179 11 HG1 THR 2 1HG THR 2 -4.973 -13.997 -3.969 12 HG21 THR 2 3HG2 THR 2 -1.735 -14.263 -3.549 13 HG22 THR 2 1HG2 THR 2 -2.476 -15.785 -3.054 14 HG23 THR 2 2HG2 THR 2 -3.282 -14.256 -2.703 15 H LYS 3 H LYS 3 -5.226 -12.625 -5.545 16 HA LYS 3 HA LYS 3 -4.453 -9.960 -5.183 17 HB2 LYS 3 2HB LYS 3 -6.809 -11.182 -5.646 18 HB3 LYS 3 1HB LYS 3 -6.994 -10.829 -3.933 19 HG2 LYS 3 2HG LYS 3 -6.726 -8.492 -4.305 20 HG3 LYS 3 1HG LYS 3 -6.256 -8.759 -5.985 21 HD2 LYS 3 2HD LYS 3 -8.388 -9.000 -6.675 22 HD3 LYS 3 1HD LYS 3 -8.862 -9.889 -5.226 23 HE2 LYS 3 2HE LYS 3 -8.393 -7.379 -4.242 24 HE3 LYS 3 1HE LYS 3 -9.063 -7.035 -5.836 25 HZ1 LYS 3 3HZ LYS 3 -10.580 -7.421 -3.728 26 HZ2 LYS 3 1HZ LYS 3 -10.437 -9.035 -4.214 27 HZ3 LYS 3 2HZ LYS 3 -11.072 -7.884 -5.277 28 H LEU 4 H LEU 4 -2.995 -9.546 -3.597 29 HA LEU 4 HA LEU 4 -3.785 -10.245 -0.845 30 HB2 LEU 4 2HB LEU 4 -1.272 -10.551 -2.264 31 HB3 LEU 4 1HB LEU 4 -1.069 -9.614 -0.796 32 HG LEU 4 HG LEU 4 -2.563 -11.698 0.123 33 HD11 LEU 4 1HD1 LEU 4 -0.597 -13.187 -1.485 34 HD12 LEU 4 2HD1 LEU 4 -2.006 -12.583 -2.355 35 HD13 LEU 4 3HD1 LEU 4 -2.218 -13.641 -0.960 36 HD21 LEU 4 3HD2 LEU 4 -0.674 -12.298 1.308 37 HD22 LEU 4 1HD2 LEU 4 -0.305 -10.635 0.849 38 HD23 LEU 4 2HD2 LEU 4 0.408 -11.976 -0.048 39 H TYR 5 H TYR 5 -3.424 -8.691 0.791 40 HA TYR 5 HA TYR 5 -3.637 -5.958 -0.170 41 HB2 TYR 5 2HB TYR 5 -3.867 -7.086 2.628 42 HB3 TYR 5 1HB TYR 5 -4.202 -5.419 2.172 43 HD1 TYR 5 1HD TYR 5 -5.928 -5.273 0.084 44 HD2 TYR 5 2HD TYR 5 -5.698 -8.449 2.907 45 HE1 TYR 5 1HE TYR 5 -8.259 -5.876 -0.413 46 HE2 TYR 5 2HE TYR 5 -8.029 -9.060 2.417 47 HH TYR 5 HH TYR 5 -9.617 -8.720 0.305 48 H GLY 6 H GLY 6 -1.678 -5.157 -0.721 49 HA2 GLY 6 2HA GLY 6 0.098 -3.828 0.413 50 HA3 GLY 6 1HA GLY 6 0.440 -5.281 1.339 51 H ASP 7 H ASP 7 0.014 -6.987 -1.057 52 HA ASP 7 HA ASP 7 2.689 -7.110 -1.934 53 HB2 ASP 7 2HB ASP 7 1.183 -9.062 -1.900 54 HB3 ASP 7 1HB ASP 7 0.222 -8.340 -3.186 55 H VAL 8 H VAL 8 3.151 -4.987 -2.693 56 HA VAL 8 HA VAL 8 1.737 -3.921 -4.962 57 HB VAL 8 HB VAL 8 3.591 -2.209 -4.957 58 HG11 VAL 8 1HG1 VAL 8 1.880 -1.270 -3.848 59 HG12 VAL 8 2HG1 VAL 8 2.865 -1.569 -2.417 60 HG13 VAL 8 3HG1 VAL 8 1.596 -2.707 -2.867 61 HG21 VAL 8 3HG2 VAL 8 5.225 -3.799 -3.847 62 HG22 VAL 8 1HG2 VAL 8 4.381 -3.456 -2.337 63 HG23 VAL 8 2HG2 VAL 8 5.183 -2.153 -3.215 64 H ASN 9 H ASN 9 4.730 -5.672 -4.397 65 HA ASN 9 HA ASN 9 5.664 -5.352 -7.101 66 HB2 ASN 9 2HB ASN 9 7.393 -7.046 -6.384 67 HB3 ASN 9 1HB ASN 9 7.347 -5.571 -5.424 68 HD21 ASN 9 1HD2 ASN 9 8.292 -6.545 -3.653 69 HD22 ASN 9 2HD2 ASN 9 7.452 -7.684 -2.661 70 H ASP 10 H ASP 10 3.327 -7.288 -5.673 71 HA ASP 10 HA ASP 10 2.138 -9.094 -6.365 72 HB2 ASP 10 2HB ASP 10 2.344 -7.606 -8.532 73 HB3 ASP 10 1HB ASP 10 3.359 -8.932 -9.091 74 H ASP 11 H ASP 11 4.155 -9.933 -4.955 75 HA ASP 11 HA ASP 11 5.464 -12.056 -6.523 76 HB2 ASP 11 2HB ASP 11 7.174 -12.110 -4.736 77 HB3 ASP 11 1HB ASP 11 7.074 -10.535 -5.517 78 H GLY 12 H GLY 12 3.194 -11.410 -4.053 79 HA2 GLY 12 2HA GLY 12 1.711 -13.068 -3.239 80 HA3 GLY 12 1HA GLY 12 2.933 -14.287 -3.568 81 H LYS 13 H LYS 13 3.950 -11.408 -1.968 82 HA LYS 13 HA LYS 13 3.468 -12.258 0.704 83 HB2 LYS 13 2HB LYS 13 5.835 -12.699 1.314 84 HB3 LYS 13 1HB LYS 13 5.166 -13.908 0.226 85 HG2 LYS 13 2HG LYS 13 6.510 -13.301 -1.507 86 HG3 LYS 13 1HG LYS 13 6.623 -11.621 -0.976 87 HD2 LYS 13 2HD LYS 13 8.762 -12.543 -0.611 88 HD3 LYS 13 1HD LYS 13 7.996 -12.487 0.978 89 HE2 LYS 13 2HE LYS 13 7.960 -14.727 1.177 90 HE3 LYS 13 1HE LYS 13 7.534 -14.969 -0.516 91 HZ1 LYS 13 3HZ LYS 13 10.153 -14.875 0.744 92 HZ2 LYS 13 1HZ LYS 13 10.035 -14.138 -0.775 93 HZ3 LYS 13 2HZ LYS 13 9.625 -15.768 -0.592 94 H VAL 14 H VAL 14 3.704 -10.581 2.086 95 HA VAL 14 HA VAL 14 4.505 -8.034 0.961 96 HB VAL 14 HB VAL 14 3.548 -8.590 3.769 97 HG11 VAL 14 1HG1 VAL 14 3.184 -6.307 3.980 98 HG12 VAL 14 2HG1 VAL 14 3.199 -6.042 2.237 99 HG13 VAL 14 3HG1 VAL 14 4.705 -6.380 3.090 100 HG21 VAL 14 3HG2 VAL 14 1.313 -8.066 3.019 101 HG22 VAL 14 1HG2 VAL 14 1.943 -9.418 2.078 102 HG23 VAL 14 2HG2 VAL 14 1.892 -7.803 1.374 103 H ASN 15 H ASN 15 6.689 -7.890 0.805 104 HA ASN 15 HA ASN 15 8.251 -8.338 3.262 105 HB2 ASN 15 2HB ASN 15 10.223 -8.445 1.629 106 HB3 ASN 15 1HB ASN 15 9.110 -9.807 1.629 107 HD21 ASN 15 1HD2 ASN 15 10.922 -8.208 -0.366 108 HD22 ASN 15 2HD2 ASN 15 9.937 -8.153 -1.785 109 H SER 16 H SER 16 10.465 -6.972 2.941 110 HA SER 16 HA SER 16 9.754 -4.303 3.418 111 HB2 SER 16 2HB SER 16 11.824 -5.376 4.274 112 HB3 SER 16 1HB SER 16 12.478 -5.369 2.635 113 HG SER 16 HG SER 16 12.462 -3.133 2.666 114 H THR 17 H THR 17 10.670 -5.971 0.493 115 HA THR 17 HA THR 17 11.334 -3.756 -1.098 116 HB THR 17 HB THR 17 9.958 -6.198 -2.187 117 HG1 THR 17 1HG THR 17 11.856 -7.321 -1.996 118 HG21 THR 17 3HG2 THR 17 11.959 -4.247 -3.205 119 HG22 THR 17 1HG2 THR 17 10.529 -4.916 -3.991 120 HG23 THR 17 2HG2 THR 17 11.978 -5.904 -3.808 121 H ASP 18 H ASP 18 8.262 -5.083 -0.122 122 HA ASP 18 HA ASP 18 6.629 -3.878 -2.069 123 HB2 ASP 18 2HB ASP 18 6.116 -4.857 0.731 124 HB3 ASP 18 1HB ASP 18 4.842 -4.099 -0.221 125 H ALA 19 H ALA 19 8.071 -2.659 0.864 126 HA ALA 19 HA ALA 19 6.453 -0.311 1.048 127 HB1 ALA 19 1HB ALA 19 8.086 -1.559 2.783 128 HB2 ALA 19 2HB ALA 19 7.579 0.121 2.956 129 HB3 ALA 19 3HB ALA 19 9.147 -0.258 2.244 130 H VAL 20 H VAL 20 9.834 -0.841 0.042 131 HA VAL 20 HA VAL 20 10.351 1.776 -0.789 132 HB VAL 20 HB VAL 20 12.123 0.111 -0.463 133 HG11 VAL 20 1HG1 VAL 20 10.947 -1.816 -1.432 134 HG12 VAL 20 2HG1 VAL 20 12.560 -1.612 -2.114 135 HG13 VAL 20 3HG1 VAL 20 11.143 -1.114 -3.038 136 HG21 VAL 20 3HG2 VAL 20 12.100 2.122 -2.265 137 HG22 VAL 20 1HG2 VAL 20 12.520 0.763 -3.307 138 HG23 VAL 20 2HG2 VAL 20 13.519 1.140 -1.904 139 H ALA 21 H ALA 21 9.031 -0.985 -2.564 140 HA ALA 21 HA ALA 21 9.032 0.119 -5.128 141 HB1 ALA 21 1HB ALA 21 8.511 -2.080 -5.268 142 HB2 ALA 21 2HB ALA 21 6.864 -1.451 -5.258 143 HB3 ALA 21 3HB ALA 21 7.581 -2.068 -3.770 144 H LEU 22 H LEU 22 6.402 0.084 -2.720 145 HA LEU 22 HA LEU 22 4.593 1.622 -4.217 146 HB2 LEU 22 2HB LEU 22 3.985 0.274 -2.238 147 HB3 LEU 22 1HB LEU 22 4.836 1.415 -1.214 148 HG LEU 22 HG LEU 22 3.253 3.168 -1.780 149 HD11 LEU 22 1HD1 LEU 22 1.247 2.622 -3.129 150 HD12 LEU 22 2HD1 LEU 22 1.997 1.085 -3.558 151 HD13 LEU 22 3HD1 LEU 22 2.746 2.602 -4.057 152 HD21 LEU 22 3HD2 LEU 22 1.620 0.738 -1.123 153 HD22 LEU 22 1HD2 LEU 22 1.434 2.390 -0.532 154 HD23 LEU 22 2HD2 LEU 22 2.791 1.403 0.016 155 H LYS 23 H LYS 23 7.207 2.523 -2.058 156 HA LYS 23 HA LYS 23 6.552 5.244 -1.753 157 HB2 LYS 23 2HB LYS 23 8.574 3.532 -0.865 158 HB3 LYS 23 1HB LYS 23 9.415 4.771 -1.787 159 HG2 LYS 23 2HG LYS 23 7.406 5.887 -0.013 160 HG3 LYS 23 1HG LYS 23 8.619 4.938 0.848 161 HD2 LYS 23 2HD LYS 23 9.371 7.016 -1.189 162 HD3 LYS 23 1HD LYS 23 9.098 7.424 0.506 163 HE2 LYS 23 2HE LYS 23 10.972 5.215 -0.256 164 HE3 LYS 23 1HE LYS 23 11.503 6.897 -0.290 165 HZ1 LYS 23 3HZ LYS 23 10.186 5.833 2.117 166 HZ2 LYS 23 1HZ LYS 23 11.300 7.100 1.977 167 HZ3 LYS 23 2HZ LYS 23 11.821 5.497 1.843 168 H ARG 24 H ARG 24 8.722 3.610 -4.049 169 HA ARG 24 HA ARG 24 9.618 5.865 -5.416 170 HB2 ARG 24 2HB ARG 24 9.147 3.072 -6.473 171 HB3 ARG 24 1HB ARG 24 10.087 4.312 -7.293 172 HG2 ARG 24 2HG ARG 24 11.770 4.271 -5.648 173 HG3 ARG 24 1HG ARG 24 10.761 3.347 -4.532 174 HD2 ARG 24 2HD ARG 24 12.180 1.724 -5.367 175 HD3 ARG 24 1HD ARG 24 10.767 1.556 -6.407 176 HE ARG 24 HE ARG 24 12.060 2.181 -8.179 177 HH11 ARG 24 1HH1 ARG 24 13.652 3.194 -5.243 178 HH12 ARG 24 2HH1 ARG 24 15.089 3.718 -6.055 179 HH21 ARG 24 1HH2 ARG 24 13.948 2.870 -9.249 180 HH22 ARG 24 2HH2 ARG 24 15.257 3.536 -8.330 181 H TYR 25 H TYR 25 6.631 4.061 -5.720 182 HA TYR 25 HA TYR 25 5.796 5.237 -8.173 183 HB2 TYR 25 2HB TYR 25 4.902 3.091 -7.300 184 HB3 TYR 25 1HB TYR 25 4.099 3.977 -6.009 185 HD1 TYR 25 2HD TYR 25 2.158 5.382 -6.485 186 HD2 TYR 25 1HD TYR 25 4.057 3.145 -9.566 187 HE1 TYR 25 2HE TYR 25 0.199 5.723 -7.932 188 HE2 TYR 25 1HE TYR 25 2.103 3.481 -11.021 189 HH TYR 25 HH TYR 25 0.231 4.972 -11.276 190 H VAL 26 H VAL 26 4.588 5.725 -4.850 191 HA VAL 26 HA VAL 26 3.001 7.950 -5.405 192 HB VAL 26 HB VAL 26 4.426 7.493 -2.786 193 HG11 VAL 26 1HG1 VAL 26 2.768 9.523 -3.557 194 HG12 VAL 26 2HG1 VAL 26 3.024 8.997 -1.895 195 HG13 VAL 26 3HG1 VAL 26 1.642 8.392 -2.808 196 HG21 VAL 26 3HG2 VAL 26 1.979 6.343 -2.468 197 HG22 VAL 26 1HG2 VAL 26 3.467 5.462 -2.815 198 HG23 VAL 26 2HG2 VAL 26 2.369 5.888 -4.127 199 H LEU 27 H LEU 27 6.430 7.682 -5.059 200 HA LEU 27 HA LEU 27 6.841 10.500 -4.565 201 HB2 LEU 27 2HB LEU 27 8.308 8.509 -3.792 202 HB3 LEU 27 1HB LEU 27 8.978 8.576 -5.411 203 HG LEU 27 HG LEU 27 9.489 11.035 -4.928 204 HD11 LEU 27 1HD1 LEU 27 8.540 10.098 -2.272 205 HD12 LEU 27 2HD1 LEU 27 8.346 11.665 -3.056 206 HD13 LEU 27 3HD1 LEU 27 9.893 11.226 -2.332 207 HD21 LEU 27 3HD2 LEU 27 11.488 10.347 -3.464 208 HD22 LEU 27 1HD2 LEU 27 11.325 9.606 -5.056 209 HD23 LEU 27 2HD2 LEU 27 10.849 8.710 -3.614 210 H ARG 28 H ARG 28 5.817 8.972 -7.225 211 HA ARG 28 HA ARG 28 5.781 9.461 -9.443 212 HB2 ARG 28 2HB ARG 28 7.029 12.041 -8.482 213 HB3 ARG 28 1HB ARG 28 6.433 11.772 -10.114 214 HG2 ARG 28 2HG ARG 28 4.503 11.186 -7.982 215 HG3 ARG 28 1HG ARG 28 4.990 12.877 -8.112 216 HD2 ARG 28 2HD ARG 28 4.513 12.644 -10.607 217 HD3 ARG 28 1HD ARG 28 3.699 11.136 -10.192 218 HE ARG 28 HE ARG 28 2.548 12.925 -8.529 219 HH11 ARG 28 1HH1 ARG 28 3.081 12.889 -11.977 220 HH12 ARG 28 2HH1 ARG 28 1.673 13.833 -12.332 221 HH21 ARG 28 1HH2 ARG 28 0.696 14.167 -8.992 222 HH22 ARG 28 2HH2 ARG 28 0.319 14.559 -10.638 223 H SER 29 H SER 29 7.946 7.933 -8.471 224 HA SER 29 HA SER 29 10.404 8.851 -9.610 225 HB2 SER 29 2HB SER 29 9.659 6.026 -8.820 226 HB3 SER 29 1HB SER 29 11.286 6.679 -9.016 227 HG SER 29 HG SER 29 9.369 7.371 -7.044 228 H GLY 30 H GLY 30 7.715 6.907 -10.707 229 HA2 GLY 30 2HA GLY 30 7.233 6.783 -13.061 230 HA3 GLY 30 1HA GLY 30 8.961 6.824 -13.372 231 H ILE 31 H ILE 31 7.559 4.820 -10.878 232 HA ILE 31 HA ILE 31 8.368 2.452 -12.422 233 HB ILE 31 HB ILE 31 9.507 2.733 -10.264 234 HG12 ILE 31 2HG1 ILE 31 7.593 0.419 -10.012 235 HG13 ILE 31 1HG1 ILE 31 8.841 0.458 -11.255 236 HG21 ILE 31 1HG2 ILE 31 6.743 2.520 -9.082 237 HG22 ILE 31 2HG2 ILE 31 7.791 3.938 -9.053 238 HG23 ILE 31 3HG2 ILE 31 8.249 2.483 -8.166 239 HD11 ILE 31 3HD1 ILE 31 9.176 0.358 -8.279 240 HD12 ILE 31 1HD1 ILE 31 10.495 0.805 -9.363 241 HD13 ILE 31 2HD1 ILE 31 9.746 -0.786 -9.495 242 H SER 32 H SER 32 7.049 0.518 -12.236 243 HA SER 32 HA SER 32 4.192 1.184 -12.016 244 HB2 SER 32 2HB SER 32 5.531 0.075 -14.136 245 HB3 SER 32 1HB SER 32 4.902 -1.357 -13.320 246 HG SER 32 HG SER 32 3.459 -0.409 -14.893 247 H ILE 33 H ILE 33 3.009 0.274 -10.465 248 HA ILE 33 HA ILE 33 4.005 -2.180 -9.183 249 HB ILE 33 HB ILE 33 3.379 -1.365 -6.993 250 HG12 ILE 33 2HG1 ILE 33 2.647 1.216 -8.400 251 HG13 ILE 33 1HG1 ILE 33 1.517 0.093 -7.651 252 HG21 ILE 33 1HG2 ILE 33 5.624 -0.769 -8.184 253 HG22 ILE 33 2HG2 ILE 33 5.233 -0.057 -6.619 254 HG23 ILE 33 3HG2 ILE 33 5.004 0.879 -8.097 255 HD11 ILE 33 3HD1 ILE 33 1.828 0.982 -5.642 256 HD12 ILE 33 1HD1 ILE 33 2.652 2.303 -6.472 257 HD13 ILE 33 2HD1 ILE 33 3.584 0.958 -5.814 258 H ASN 34 H ASN 34 2.137 -2.898 -7.531 259 HA ASN 34 HA ASN 34 -0.220 -3.246 -9.220 260 HB2 ASN 34 2HB ASN 34 1.188 -4.878 -7.304 261 HB3 ASN 34 1HB ASN 34 -0.508 -4.749 -6.848 262 HD21 ASN 34 1HD2 ASN 34 -1.902 -6.043 -7.816 263 HD22 ASN 34 2HD2 ASN 34 -1.602 -6.961 -9.248 264 H THR 35 H THR 35 -1.664 -1.654 -8.986 265 HA THR 35 HA THR 35 -2.027 -0.223 -6.537 266 HB THR 35 HB THR 35 -3.817 0.945 -7.712 267 HG1 THR 35 1HG THR 35 -3.482 -1.107 -9.631 268 HG21 THR 35 3HG2 THR 35 -1.162 0.848 -8.625 269 HG22 THR 35 1HG2 THR 35 -2.338 2.148 -8.820 270 HG23 THR 35 2HG2 THR 35 -2.196 0.895 -10.053 271 H ASP 36 H ASP 36 -3.555 -2.943 -8.091 272 HA ASP 36 HA ASP 36 -5.962 -3.007 -6.651 273 HB2 ASP 36 2HB ASP 36 -4.520 -4.727 -8.461 274 HB3 ASP 36 1HB ASP 36 -5.195 -5.676 -7.141 275 H ASN 37 H ASN 37 -2.791 -4.424 -5.985 276 HA ASN 37 HA ASN 37 -3.682 -5.555 -3.476 277 HB2 ASN 37 2HB ASN 37 -1.073 -5.514 -4.966 278 HB3 ASN 37 1HB ASN 37 -1.133 -6.030 -3.284 279 HD21 ASN 37 1HD2 ASN 37 -0.256 -7.802 -5.060 280 HD22 ASN 37 2HD2 ASN 37 -1.430 -9.035 -5.350 281 H ALA 38 H ALA 38 -1.757 -2.827 -4.594 282 HA ALA 38 HA ALA 38 -0.687 -1.994 -2.154 283 HB1 ALA 38 1HB ALA 38 -0.033 -1.121 -4.382 284 HB2 ALA 38 2HB ALA 38 -0.336 0.146 -3.193 285 HB3 ALA 38 3HB ALA 38 -1.542 -0.211 -4.428 286 H ASP 39 H ASP 39 -3.821 -1.317 -3.636 287 HA ASP 39 HA ASP 39 -4.683 0.616 -1.773 288 HB2 ASP 39 2HB ASP 39 -5.674 -0.078 -4.087 289 HB3 ASP 39 1HB ASP 39 -6.585 -1.257 -3.149 290 H LEU 40 H LEU 40 -4.424 0.065 0.339 291 HA LEU 40 HA LEU 40 -5.387 -2.498 1.309 292 HB2 LEU 40 2HB LEU 40 -4.235 -0.221 2.913 293 HB3 LEU 40 1HB LEU 40 -4.403 -1.894 3.413 294 HG LEU 40 HG LEU 40 -2.525 -0.832 1.303 295 HD11 LEU 40 1HD1 LEU 40 -0.778 -1.340 2.799 296 HD12 LEU 40 2HD1 LEU 40 -1.858 -2.221 3.882 297 HD13 LEU 40 3HD1 LEU 40 -1.983 -0.468 3.747 298 HD21 LEU 40 3HD2 LEU 40 -2.721 -3.668 2.281 299 HD22 LEU 40 1HD2 LEU 40 -1.786 -3.041 0.924 300 HD23 LEU 40 2HD2 LEU 40 -3.546 -3.100 0.829 301 H ASN 41 H ASN 41 -6.477 0.765 1.080 302 HA ASN 41 HA ASN 41 -8.602 0.275 3.040 303 HB2 ASN 41 2HB ASN 41 -9.049 2.721 2.817 304 HB3 ASN 41 1HB ASN 41 -7.428 2.347 3.395 305 HD21 ASN 41 1HD2 ASN 41 -8.076 4.796 2.312 306 HD22 ASN 41 2HD2 ASN 41 -7.247 4.988 0.808 307 H GLU 42 H GLU 42 -8.060 0.120 -0.275 308 HA GLU 42 HA GLU 42 -9.420 -0.155 -2.074 309 HB2 GLU 42 2HB GLU 42 -11.187 -0.863 0.220 310 HB3 GLU 42 1HB GLU 42 -11.931 -0.652 -1.360 311 HG2 GLU 42 2HG GLU 42 -9.526 -2.369 -1.211 312 HG3 GLU 42 1HG GLU 42 -11.015 -2.990 -0.502 313 H ASP 43 H ASP 43 -8.924 2.478 -1.212 314 HA ASP 43 HA ASP 43 -11.367 3.982 -1.240 315 HB2 ASP 43 2HB ASP 43 -9.858 5.955 -1.383 316 HB3 ASP 43 1HB ASP 43 -9.459 4.877 -0.050 317 H GLY 44 H GLY 44 -9.376 2.581 -3.631 318 HA2 GLY 44 2HA GLY 44 -10.088 2.439 -5.895 319 HA3 GLY 44 1HA GLY 44 -10.928 3.968 -5.698 320 H ARG 45 H ARG 45 -7.829 4.082 -4.350 321 HA ARG 45 HA ARG 45 -6.324 4.615 -6.706 322 HB2 ARG 45 2HB ARG 45 -5.987 7.077 -6.171 323 HB3 ARG 45 1HB ARG 45 -7.525 6.639 -6.902 324 HG2 ARG 45 2HG ARG 45 -8.046 6.454 -4.208 325 HG3 ARG 45 1HG ARG 45 -6.959 7.839 -4.316 326 HD2 ARG 45 2HD ARG 45 -9.576 7.437 -5.751 327 HD3 ARG 45 1HD ARG 45 -9.196 8.647 -4.526 328 HE ARG 45 HE ARG 45 -7.535 8.817 -6.864 329 HH11 ARG 45 1HH1 ARG 45 -10.575 9.780 -5.445 330 HH12 ARG 45 2HH1 ARG 45 -10.742 11.182 -6.448 331 HH21 ARG 45 1HH2 ARG 45 -7.754 10.662 -8.184 332 HH22 ARG 45 2HH2 ARG 45 -9.141 11.682 -8.003 333 H VAL 46 H VAL 46 -4.163 4.682 -6.287 334 HA VAL 46 HA VAL 46 -3.350 4.053 -3.585 335 HB VAL 46 HB VAL 46 -1.583 4.387 -6.011 336 HG11 VAL 46 1HG1 VAL 46 -1.215 3.173 -3.293 337 HG12 VAL 46 2HG1 VAL 46 -0.214 4.367 -4.120 338 HG13 VAL 46 3HG1 VAL 46 -0.212 2.689 -4.660 339 HG21 VAL 46 3HG2 VAL 46 -1.843 2.094 -6.502 340 HG22 VAL 46 1HG2 VAL 46 -3.477 2.719 -6.274 341 HG23 VAL 46 2HG2 VAL 46 -2.702 1.788 -4.992 342 H ASN 47 H ASN 47 -3.452 5.858 -2.323 343 HA ASN 47 HA ASN 47 -1.899 8.201 -3.200 344 HB2 ASN 47 2HB ASN 47 -3.246 9.269 -1.203 345 HB3 ASN 47 1HB ASN 47 -3.988 9.085 -2.788 346 HD21 ASN 47 1HD2 ASN 47 -5.448 7.338 -3.115 347 HD22 ASN 47 2HD2 ASN 47 -6.304 6.652 -1.781 348 H SER 48 H SER 48 -1.272 9.506 -1.029 349 HA SER 48 HA SER 48 0.878 8.139 0.093 350 HB2 SER 48 2HB SER 48 -0.087 10.744 0.162 351 HB3 SER 48 1HB SER 48 -0.152 10.229 1.847 352 HG SER 48 HG SER 48 1.879 11.069 1.432 353 H THR 49 H THR 49 -2.462 8.293 1.061 354 HA THR 49 HA THR 49 -2.245 7.474 3.725 355 HB THR 49 HB THR 49 -4.504 6.513 2.012 356 HG1 THR 49 1HG THR 49 -4.040 9.212 2.745 357 HG21 THR 49 3HG2 THR 49 -5.616 7.818 4.083 358 HG22 THR 49 1HG2 THR 49 -4.110 7.271 4.820 359 HG23 THR 49 2HG2 THR 49 -5.213 6.100 4.097 360 H ASP 50 H ASP 50 -2.638 5.541 0.765 361 HA ASP 50 HA ASP 50 -2.687 3.020 1.978 362 HB2 ASP 50 2HB ASP 50 -1.731 3.871 -0.760 363 HB3 ASP 50 1HB ASP 50 -1.887 2.188 -0.265 364 H LEU 51 H LEU 51 0.026 4.964 0.791 365 HA LEU 51 HA LEU 51 2.069 3.104 1.217 366 HB2 LEU 51 2HB LEU 51 2.338 5.205 -0.046 367 HB3 LEU 51 1HB LEU 51 2.202 6.112 1.449 368 HG LEU 51 HG LEU 51 4.262 4.463 2.070 369 HD11 LEU 51 1HD1 LEU 51 4.473 5.022 -0.884 370 HD12 LEU 51 2HD1 LEU 51 4.350 3.439 -0.118 371 HD13 LEU 51 3HD1 LEU 51 5.785 4.432 0.136 372 HD21 LEU 51 3HD2 LEU 51 5.637 6.519 1.049 373 HD22 LEU 51 1HD2 LEU 51 4.709 6.629 2.544 374 HD23 LEU 51 2HD2 LEU 51 4.019 7.219 1.032 375 H GLY 52 H GLY 52 0.429 5.295 3.407 376 HA2 GLY 52 2HA GLY 52 2.266 4.881 5.582 377 HA3 GLY 52 1HA GLY 52 0.704 5.684 5.672 378 H ILE 53 H ILE 53 -0.664 3.363 4.453 379 HA ILE 53 HA ILE 53 -1.126 1.909 6.896 380 HB ILE 53 HB ILE 53 -2.325 1.465 4.157 381 HG12 ILE 53 2HG1 ILE 53 -3.727 2.819 6.435 382 HG13 ILE 53 1HG1 ILE 53 -2.627 3.745 5.418 383 HG21 ILE 53 1HG2 ILE 53 -4.048 0.221 5.285 384 HG22 ILE 53 2HG2 ILE 53 -3.331 0.575 6.856 385 HG23 ILE 53 3HG2 ILE 53 -2.479 -0.460 5.711 386 HD11 ILE 53 3HD1 ILE 53 -4.000 2.840 3.455 387 HD12 ILE 53 1HD1 ILE 53 -4.715 4.095 4.467 388 HD13 ILE 53 2HD1 ILE 53 -5.198 2.411 4.676 389 H LEU 54 H LEU 54 0.446 1.335 3.816 390 HA LEU 54 HA LEU 54 0.731 -1.475 4.103 391 HB2 LEU 54 2HB LEU 54 1.317 0.462 2.151 392 HB3 LEU 54 1HB LEU 54 2.848 -0.300 2.539 393 HG LEU 54 HG LEU 54 0.851 -2.333 2.210 394 HD11 LEU 54 1HD1 LEU 54 -0.226 -1.869 0.304 395 HD12 LEU 54 2HD1 LEU 54 1.176 -1.075 -0.413 396 HD13 LEU 54 3HD1 LEU 54 0.132 -0.188 0.698 397 HD21 LEU 54 3HD2 LEU 54 3.496 -1.586 1.122 398 HD22 LEU 54 1HD2 LEU 54 2.516 -2.681 0.149 399 HD23 LEU 54 2HD2 LEU 54 2.938 -3.112 1.806 400 H LYS 55 H LYS 55 2.846 1.272 4.837 401 HA LYS 55 HA LYS 55 5.075 -0.241 5.669 402 HB2 LYS 55 2HB LYS 55 4.182 2.576 5.939 403 HB3 LYS 55 1HB LYS 55 5.395 2.021 7.084 404 HG2 LYS 55 2HG LYS 55 6.936 1.532 5.367 405 HG3 LYS 55 1HG LYS 55 5.700 1.682 4.116 406 HD2 LYS 55 2HD LYS 55 5.881 3.924 4.034 407 HD3 LYS 55 1HD LYS 55 6.047 4.072 5.785 408 HE2 LYS 55 2HE LYS 55 8.151 4.689 5.214 409 HE3 LYS 55 1HE LYS 55 8.404 2.944 5.237 410 HZ1 LYS 55 3HZ LYS 55 9.052 4.485 3.178 411 HZ2 LYS 55 1HZ LYS 55 7.476 4.068 2.722 412 HZ3 LYS 55 2HZ LYS 55 8.622 2.858 3.010 413 H ARG 56 H ARG 56 2.388 1.197 7.490 414 HA ARG 56 HA ARG 56 3.258 0.420 10.046 415 HB2 ARG 56 2HB ARG 56 0.535 1.061 8.929 416 HB3 ARG 56 1HB ARG 56 0.772 0.640 10.619 417 HG2 ARG 56 2HG ARG 56 2.023 2.564 11.048 418 HG3 ARG 56 1HG ARG 56 2.317 2.862 9.333 419 HD2 ARG 56 2HD ARG 56 -0.010 3.423 8.995 420 HD3 ARG 56 1HD ARG 56 -0.384 3.009 10.667 421 HE ARG 56 HE ARG 56 0.795 5.447 9.703 422 HH11 ARG 56 1HH1 ARG 56 0.437 3.336 12.460 423 HH12 ARG 56 2HH1 ARG 56 0.742 4.589 13.616 424 HH21 ARG 56 1HH2 ARG 56 1.198 7.096 11.224 425 HH22 ARG 56 2HH2 ARG 56 1.173 6.722 12.915 426 H TYR 57 H TYR 57 1.485 -1.276 7.554 427 HA TYR 57 HA TYR 57 0.569 -3.424 9.164 428 HB2 TYR 57 2HB TYR 57 -0.415 -2.881 6.970 429 HB3 TYR 57 1HB TYR 57 1.088 -3.350 6.184 430 HD1 TYR 57 2HD TYR 57 -1.756 -4.631 8.181 431 HD2 TYR 57 1HD TYR 57 1.540 -5.614 5.677 432 HE1 TYR 57 2HE TYR 57 -2.563 -6.949 8.039 433 HE2 TYR 57 1HE TYR 57 0.741 -7.934 5.526 434 HH TYR 57 HH TYR 57 -1.706 -9.172 7.556 435 H ILE 58 H ILE 58 3.492 -2.868 7.278 436 HA ILE 58 HA ILE 58 4.506 -5.529 7.769 437 HB ILE 58 HB ILE 58 6.003 -3.169 6.633 438 HG12 ILE 58 2HG1 ILE 58 4.652 -5.324 5.017 439 HG13 ILE 58 1HG1 ILE 58 3.810 -3.840 5.455 440 HG21 ILE 58 1HG2 ILE 58 6.815 -5.770 7.341 441 HG22 ILE 58 2HG2 ILE 58 7.732 -4.549 6.461 442 HG23 ILE 58 3HG2 ILE 58 6.753 -5.722 5.578 443 HD11 ILE 58 3HD1 ILE 58 4.623 -3.052 3.538 444 HD12 ILE 58 1HD1 ILE 58 5.848 -4.316 3.428 445 HD13 ILE 58 2HD1 ILE 58 6.143 -2.884 4.417 446 H LEU 59 H LEU 59 4.581 -2.491 9.362 447 HA LEU 59 HA LEU 59 6.980 -3.163 10.883 448 HB2 LEU 59 2HB LEU 59 5.571 -0.733 10.197 449 HB3 LEU 59 1HB LEU 59 5.849 -0.821 11.926 450 HG LEU 59 HG LEU 59 8.311 -1.449 11.110 451 HD11 LEU 59 1HD1 LEU 59 7.046 0.016 8.827 452 HD12 LEU 59 2HD1 LEU 59 8.104 -1.396 8.799 453 HD13 LEU 59 3HD1 LEU 59 8.765 0.194 9.180 454 HD21 LEU 59 3HD2 LEU 59 7.869 0.346 12.618 455 HD22 LEU 59 1HD2 LEU 59 7.108 1.302 11.346 456 HD23 LEU 59 2HD2 LEU 59 8.843 0.989 11.295 457 H LYS 60 H LYS 60 4.237 -4.514 11.092 458 HA LYS 60 HA LYS 60 2.897 -5.394 12.705 459 HB2 LYS 60 2HB LYS 60 5.297 -5.955 13.501 460 HB3 LYS 60 1HB LYS 60 5.021 -4.717 14.718 461 HG2 LYS 60 2HG LYS 60 3.807 -6.094 15.963 462 HG3 LYS 60 1HG LYS 60 2.806 -6.564 14.588 463 HD2 LYS 60 2HD LYS 60 5.054 -7.902 13.984 464 HD3 LYS 60 1HD LYS 60 5.191 -7.877 15.743 465 HE2 LYS 60 2HE LYS 60 3.498 -9.325 16.015 466 HE3 LYS 60 1HE LYS 60 2.521 -8.565 14.758 467 HZ1 LYS 60 3HZ LYS 60 2.966 -10.551 13.778 468 HZ2 LYS 60 1HZ LYS 60 4.464 -10.742 14.542 469 HZ3 LYS 60 2HZ LYS 60 4.314 -9.689 13.227 470 H GLU 61 H GLU 61 2.651 -2.553 12.155 471 HA GLU 61 HA GLU 61 1.990 -1.396 14.752 472 HB2 GLU 61 2HB GLU 61 1.949 -0.214 11.971 473 HB3 GLU 61 1HB GLU 61 1.528 0.666 13.433 474 HG2 GLU 61 2HG GLU 61 4.160 -0.676 13.398 475 HG3 GLU 61 1HG GLU 61 3.958 0.722 12.343 476 H ILE 62 H ILE 62 0.464 -2.557 11.815 477 HA ILE 62 HA ILE 62 -2.122 -2.481 13.192 478 HB ILE 62 HB ILE 62 -3.209 -1.816 11.018 479 HG12 ILE 62 2HG1 ILE 62 -0.861 -0.362 10.081 480 HG13 ILE 62 1HG1 ILE 62 -0.635 -2.107 10.013 481 HG21 ILE 62 1HG2 ILE 62 -2.966 0.528 11.420 482 HG22 ILE 62 2HG2 ILE 62 -1.400 0.284 12.195 483 HG23 ILE 62 3HG2 ILE 62 -2.869 -0.305 12.973 484 HD11 ILE 62 3HD1 ILE 62 -2.081 -2.351 8.324 485 HD12 ILE 62 1HD1 ILE 62 -1.783 -0.632 8.068 486 HD13 ILE 62 2HD1 ILE 62 -3.204 -1.155 8.973 487 H ASP 63 H ASP 63 -3.005 -4.432 13.162 488 HA ASP 63 HA ASP 63 -2.255 -6.283 10.997 489 HB2 ASP 63 2HB ASP 63 -1.844 -6.675 13.633 490 HB3 ASP 63 1HB ASP 63 -3.459 -7.362 13.482 491 H THR 64 H THR 64 -4.601 -4.254 11.447 492 HA THR 64 HA THR 64 -6.776 -6.156 10.884 493 HB THR 64 HB THR 64 -7.003 -3.291 11.824 494 HG1 THR 64 1HG THR 64 -6.476 -4.172 13.656 495 HG21 THR 64 3HG2 THR 64 -8.945 -4.474 10.547 496 HG22 THR 64 1HG2 THR 64 -9.265 -3.550 12.014 497 HG23 THR 64 2HG2 THR 64 -9.171 -5.309 12.084 498 H LEU 65 H LEU 65 -6.946 -6.384 8.742 499 HA LEU 65 HA LEU 65 -7.127 -3.936 7.119 500 HB2 LEU 65 2HB LEU 65 -5.329 -6.210 6.822 501 HB3 LEU 65 1HB LEU 65 -6.255 -5.897 5.367 502 HG LEU 65 HG LEU 65 -5.415 -3.624 5.268 503 HD11 LEU 65 1HD1 LEU 65 -3.405 -3.269 6.984 504 HD12 LEU 65 2HD1 LEU 65 -4.448 -4.278 7.986 505 HD13 LEU 65 3HD1 LEU 65 -5.056 -2.758 7.329 506 HD21 LEU 65 3HD2 LEU 65 -2.896 -5.068 5.781 507 HD22 LEU 65 1HD2 LEU 65 -3.438 -4.200 4.345 508 HD23 LEU 65 2HD2 LEU 65 -4.015 -5.838 4.656 509 HA PRO 66 HA PRO 66 -7.338 -3.797 4.756 510 HB2 PRO 66 2HB PRO 66 -9.282 -2.521 3.401 511 HB3 PRO 66 1HB PRO 66 -8.623 -4.070 2.857 512 HG2 PRO 66 2HG PRO 66 -11.155 -3.508 4.352 513 HG3 PRO 66 1HG PRO 66 -10.881 -4.611 2.992 514 HD2 PRO 66 2HD PRO 66 -10.999 -5.432 5.593 515 HD3 PRO 66 1HD PRO 66 -10.057 -6.272 4.345 516 H TYR 67 H TYR 67 -7.315 -1.415 4.779 517 HA TYR 67 HA TYR 67 -8.000 -0.408 7.350 518 HB2 TYR 67 2HB TYR 67 -5.994 0.335 6.128 519 HB3 TYR 67 1HB TYR 67 -7.018 1.074 4.901 520 HD1 TYR 67 1HD TYR 67 -6.922 1.123 8.645 521 HD2 TYR 67 2HD TYR 67 -7.034 3.370 5.033 522 HE1 TYR 67 1HE TYR 67 -6.970 3.206 9.948 523 HE2 TYR 67 2HE TYR 67 -7.083 5.459 6.327 524 HH TYR 67 HH TYR 67 -7.755 6.196 8.611 525 H LYS 68 H LYS 68 -9.612 0.942 7.986 526 HA LYS 68 HA LYS 68 -11.772 1.380 6.048 527 HB2 LYS 68 2HB LYS 68 -13.112 1.865 8.175 528 HB3 LYS 68 1HB LYS 68 -12.616 0.201 7.898 529 HG2 LYS 68 2HG LYS 68 -10.721 1.804 9.461 530 HG3 LYS 68 1HG LYS 68 -12.290 1.548 10.225 531 HD2 LYS 68 2HD LYS 68 -10.973 -0.802 8.980 532 HD3 LYS 68 1HD LYS 68 -10.280 -0.180 10.478 533 HE2 LYS 68 2HE LYS 68 -12.477 -0.365 11.556 534 HE3 LYS 68 1HE LYS 68 -13.149 -1.011 10.060 535 HZ1 LYS 68 3HZ LYS 68 -10.920 -2.284 11.547 536 HZ2 LYS 68 1HZ LYS 68 -11.781 -2.931 10.243 537 HZ3 LYS 68 2HZ LYS 68 -12.544 -2.717 11.738 538 H ASN 69 H ASN 69 -10.959 3.240 5.053 539 HA ASN 69 HA ASN 69 -10.123 5.534 6.519 540 HB2 ASN 69 2HB ASN 69 -9.706 4.802 4.004 541 HB3 ASN 69 1HB ASN 69 -11.143 5.782 3.725 542 HD21 ASN 69 1HD2 ASN 69 -7.809 5.785 4.169 543 HD22 ASN 69 2HD2 ASN 69 -7.575 7.492 4.304 Start of MODEL 18 1 H1 SER 1 1HT SER 1 0.128 -10.819 -9.352 2 H2 SER 1 2HT SER 1 0.067 -12.252 -10.294 3 H3 SER 1 3HT SER 1 1.558 -11.718 -9.635 4 HA SER 1 HA SER 1 0.441 -13.605 -8.495 5 HB2 SER 1 2HB SER 1 2.188 -11.830 -7.644 6 HB3 SER 1 1HB SER 1 0.839 -11.271 -6.655 7 HG SER 1 HG SER 1 2.246 -13.686 -6.560 8 H THR 2 H THR 2 -1.006 -14.001 -6.622 9 HA THR 2 HA THR 2 -3.648 -13.254 -7.206 10 HB THR 2 HB THR 2 -3.112 -15.330 -6.043 11 HG1 THR 2 1HG THR 2 -4.759 -15.231 -4.556 12 HG21 THR 2 3HG2 THR 2 -2.746 -14.077 -3.416 13 HG22 THR 2 1HG2 THR 2 -1.373 -13.955 -4.516 14 HG23 THR 2 2HG2 THR 2 -2.028 -15.538 -4.096 15 H LYS 3 H LYS 3 -5.159 -12.229 -5.608 16 HA LYS 3 HA LYS 3 -4.306 -9.582 -5.064 17 HB2 LYS 3 2HB LYS 3 -6.770 -11.014 -5.143 18 HB3 LYS 3 1HB LYS 3 -6.684 -10.168 -3.604 19 HG2 LYS 3 2HG LYS 3 -6.017 -8.122 -5.033 20 HG3 LYS 3 1HG LYS 3 -6.695 -9.049 -6.374 21 HD2 LYS 3 2HD LYS 3 -8.364 -8.935 -3.954 22 HD3 LYS 3 1HD LYS 3 -8.130 -7.392 -4.779 23 HE2 LYS 3 2HE LYS 3 -8.823 -8.516 -6.901 24 HE3 LYS 3 1HE LYS 3 -9.226 -9.945 -5.949 25 HZ1 LYS 3 3HZ LYS 3 -10.533 -7.304 -5.960 26 HZ2 LYS 3 1HZ LYS 3 -10.668 -8.315 -4.611 27 HZ3 LYS 3 2HZ LYS 3 -11.229 -8.837 -6.118 28 H LEU 4 H LEU 4 -2.551 -9.698 -3.650 29 HA LEU 4 HA LEU 4 -3.168 -10.627 -0.924 30 HB2 LEU 4 2HB LEU 4 -0.702 -10.633 -2.569 31 HB3 LEU 4 1HB LEU 4 -0.500 -10.308 -0.858 32 HG LEU 4 HG LEU 4 -2.159 -12.659 -1.550 33 HD11 LEU 4 1HD1 LEU 4 0.803 -12.998 -1.650 34 HD12 LEU 4 2HD1 LEU 4 -0.073 -12.536 -3.109 35 HD13 LEU 4 3HD1 LEU 4 -0.473 -14.040 -2.281 36 HD21 LEU 4 3HD2 LEU 4 0.102 -12.780 0.338 37 HD22 LEU 4 1HD2 LEU 4 -1.553 -13.362 0.507 38 HD23 LEU 4 2HD2 LEU 4 -1.192 -11.653 0.747 39 H TYR 5 H TYR 5 -3.673 -9.046 0.428 40 HA TYR 5 HA TYR 5 -3.290 -6.314 -0.074 41 HB2 TYR 5 2HB TYR 5 -3.871 -7.800 2.490 42 HB3 TYR 5 1HB TYR 5 -3.864 -6.044 2.370 43 HD1 TYR 5 1HD TYR 5 -5.318 -5.219 0.198 44 HD2 TYR 5 2HD TYR 5 -5.954 -8.768 2.454 45 HE1 TYR 5 1HE TYR 5 -7.665 -5.258 -0.537 46 HE2 TYR 5 2HE TYR 5 -8.302 -8.819 1.725 47 HH TYR 5 HH TYR 5 -9.480 -7.296 -0.791 48 H GLY 6 H GLY 6 -1.274 -5.556 -0.392 49 HA2 GLY 6 2HA GLY 6 0.550 -4.490 0.831 50 HA3 GLY 6 1HA GLY 6 0.651 -5.942 1.815 51 H ASP 7 H ASP 7 0.172 -6.187 -1.614 52 HA ASP 7 HA ASP 7 3.002 -6.909 -1.964 53 HB2 ASP 7 2HB ASP 7 1.633 -8.953 -1.781 54 HB3 ASP 7 1HB ASP 7 0.629 -8.393 -3.115 55 H VAL 8 H VAL 8 3.378 -4.869 -2.906 56 HA VAL 8 HA VAL 8 1.867 -4.045 -5.225 57 HB VAL 8 HB VAL 8 3.598 -2.217 -5.354 58 HG11 VAL 8 1HG1 VAL 8 1.996 -2.632 -2.841 59 HG12 VAL 8 2HG1 VAL 8 1.541 -1.726 -4.285 60 HG13 VAL 8 3HG1 VAL 8 2.813 -1.117 -3.225 61 HG21 VAL 8 3HG2 VAL 8 5.373 -2.097 -3.963 62 HG22 VAL 8 1HG2 VAL 8 5.163 -3.847 -3.891 63 HG23 VAL 8 2HG2 VAL 8 4.500 -2.826 -2.614 64 H ASN 9 H ASN 9 4.850 -5.720 -4.562 65 HA ASN 9 HA ASN 9 5.781 -5.492 -7.301 66 HB2 ASN 9 2HB ASN 9 7.659 -6.937 -6.489 67 HB3 ASN 9 1HB ASN 9 7.475 -5.430 -5.599 68 HD21 ASN 9 1HD2 ASN 9 8.847 -7.651 -4.624 69 HD22 ASN 9 2HD2 ASN 9 7.997 -8.263 -3.250 70 H ASP 10 H ASP 10 3.373 -7.208 -6.040 71 HA ASP 10 HA ASP 10 2.393 -9.242 -6.391 72 HB2 ASP 10 2HB ASP 10 2.166 -9.818 -8.746 73 HB3 ASP 10 1HB ASP 10 2.056 -8.073 -8.539 74 H ASP 11 H ASP 11 4.484 -9.882 -5.002 75 HA ASP 11 HA ASP 11 5.965 -11.948 -6.476 76 HB2 ASP 11 2HB ASP 11 7.570 -11.897 -4.618 77 HB3 ASP 11 1HB ASP 11 7.360 -10.296 -5.321 78 H GLY 12 H GLY 12 3.488 -11.499 -4.169 79 HA2 GLY 12 2HA GLY 12 2.071 -13.276 -3.493 80 HA3 GLY 12 1HA GLY 12 3.405 -14.394 -3.727 81 H LYS 13 H LYS 13 4.100 -11.477 -2.037 82 HA LYS 13 HA LYS 13 3.445 -12.376 0.582 83 HB2 LYS 13 2HB LYS 13 5.822 -12.626 1.362 84 HB3 LYS 13 1HB LYS 13 5.245 -13.922 0.323 85 HG2 LYS 13 2HG LYS 13 6.403 -11.975 -1.358 86 HG3 LYS 13 1HG LYS 13 7.511 -12.225 -0.007 87 HD2 LYS 13 2HD LYS 13 6.313 -14.480 -1.606 88 HD3 LYS 13 1HD LYS 13 7.864 -13.731 -1.995 89 HE2 LYS 13 2HE LYS 13 8.555 -14.259 0.386 90 HE3 LYS 13 1HE LYS 13 7.105 -15.258 0.484 91 HZ1 LYS 13 3HZ LYS 13 7.993 -16.830 -0.839 92 HZ2 LYS 13 1HZ LYS 13 9.462 -16.179 -0.311 93 HZ3 LYS 13 2HZ LYS 13 8.826 -15.725 -1.810 94 H VAL 14 H VAL 14 3.843 -10.808 2.165 95 HA VAL 14 HA VAL 14 4.358 -8.153 1.084 96 HB VAL 14 HB VAL 14 3.502 -8.867 3.889 97 HG11 VAL 14 1HG1 VAL 14 2.859 -6.306 2.509 98 HG12 VAL 14 2HG1 VAL 14 4.481 -6.542 3.163 99 HG13 VAL 14 3HG1 VAL 14 3.079 -6.639 4.227 100 HG21 VAL 14 3HG2 VAL 14 1.253 -7.935 2.739 101 HG22 VAL 14 1HG2 VAL 14 1.652 -9.649 2.851 102 HG23 VAL 14 2HG2 VAL 14 1.982 -8.762 1.362 103 H ASN 15 H ASN 15 6.521 -7.845 0.894 104 HA ASN 15 HA ASN 15 8.167 -8.279 3.300 105 HB2 ASN 15 2HB ASN 15 8.667 -9.440 0.986 106 HB3 ASN 15 1HB ASN 15 9.378 -7.877 0.593 107 HD21 ASN 15 1HD2 ASN 15 10.779 -10.317 0.760 108 HD22 ASN 15 2HD2 ASN 15 11.923 -10.187 2.048 109 H SER 16 H SER 16 10.149 -6.739 3.287 110 HA SER 16 HA SER 16 9.227 -4.132 3.693 111 HB2 SER 16 2HB SER 16 11.481 -5.449 4.382 112 HB3 SER 16 1HB SER 16 12.106 -4.458 3.064 113 HG SER 16 HG SER 16 11.353 -2.625 4.152 114 H THR 17 H THR 17 10.513 -5.694 0.856 115 HA THR 17 HA THR 17 11.236 -3.456 -0.654 116 HB THR 17 HB THR 17 11.786 -5.768 -1.291 117 HG1 THR 17 1HG THR 17 10.277 -4.322 -3.205 118 HG21 THR 17 3HG2 THR 17 9.077 -6.287 -0.961 119 HG22 THR 17 1HG2 THR 17 10.307 -7.383 -1.590 120 HG23 THR 17 2HG2 THR 17 9.357 -6.393 -2.698 121 H ASP 18 H ASP 18 8.113 -4.845 0.044 122 HA ASP 18 HA ASP 18 6.617 -3.623 -1.998 123 HB2 ASP 18 2HB ASP 18 5.889 -4.604 0.757 124 HB3 ASP 18 1HB ASP 18 4.694 -3.892 -0.322 125 H ALA 19 H ALA 19 7.688 -2.478 1.145 126 HA ALA 19 HA ALA 19 6.093 -0.141 1.229 127 HB1 ALA 19 1HB ALA 19 7.657 -1.395 3.025 128 HB2 ALA 19 2HB ALA 19 7.102 0.269 3.205 129 HB3 ALA 19 3HB ALA 19 8.714 -0.058 2.573 130 H VAL 20 H VAL 20 9.519 -0.614 0.361 131 HA VAL 20 HA VAL 20 9.985 2.053 -0.416 132 HB VAL 20 HB VAL 20 11.809 0.493 0.096 133 HG11 VAL 20 1HG1 VAL 20 12.486 -1.219 -1.492 134 HG12 VAL 20 2HG1 VAL 20 11.114 -0.822 -2.527 135 HG13 VAL 20 3HG1 VAL 20 10.841 -1.514 -0.928 136 HG21 VAL 20 3HG2 VAL 20 13.241 1.022 -1.934 137 HG22 VAL 20 1HG2 VAL 20 12.481 2.392 -1.125 138 HG23 VAL 20 2HG2 VAL 20 11.800 1.767 -2.627 139 H ALA 21 H ALA 21 8.952 -0.798 -2.231 140 HA ALA 21 HA ALA 21 9.120 0.272 -4.810 141 HB1 ALA 21 1HB ALA 21 7.101 -1.435 -5.129 142 HB2 ALA 21 2HB ALA 21 7.665 -1.979 -3.549 143 HB3 ALA 21 3HB ALA 21 8.770 -1.969 -4.923 144 H LEU 22 H LEU 22 6.456 0.301 -2.472 145 HA LEU 22 HA LEU 22 4.600 1.606 -4.166 146 HB2 LEU 22 2HB LEU 22 4.047 0.297 -2.099 147 HB3 LEU 22 1HB LEU 22 4.664 1.636 -1.150 148 HG LEU 22 HG LEU 22 2.923 3.099 -2.000 149 HD11 LEU 22 1HD1 LEU 22 2.459 0.829 -3.849 150 HD12 LEU 22 2HD1 LEU 22 2.374 2.567 -4.139 151 HD13 LEU 22 3HD1 LEU 22 1.054 1.747 -3.307 152 HD21 LEU 22 3HD2 LEU 22 1.311 0.723 -1.319 153 HD22 LEU 22 1HD2 LEU 22 1.331 2.331 -0.594 154 HD23 LEU 22 2HD2 LEU 22 2.580 1.159 -0.174 155 H LYS 23 H LYS 23 7.106 2.737 -2.011 156 HA LYS 23 HA LYS 23 6.292 5.424 -1.793 157 HB2 LYS 23 2HB LYS 23 8.144 4.078 -0.522 158 HB3 LYS 23 1HB LYS 23 9.185 4.648 -1.820 159 HG2 LYS 23 2HG LYS 23 8.383 6.982 -1.246 160 HG3 LYS 23 1HG LYS 23 7.695 6.273 0.217 161 HD2 LYS 23 2HD LYS 23 9.721 6.776 1.083 162 HD3 LYS 23 1HD LYS 23 10.188 5.253 0.323 163 HE2 LYS 23 2HE LYS 23 11.784 6.484 -0.664 164 HE3 LYS 23 1HE LYS 23 10.486 6.997 -1.741 165 HZ1 LYS 23 3HZ LYS 23 12.009 8.698 -0.409 166 HZ2 LYS 23 1HZ LYS 23 10.783 8.492 0.739 167 HZ3 LYS 23 2HZ LYS 23 10.404 9.039 -0.816 168 H ARG 24 H ARG 24 8.460 3.797 -4.080 169 HA ARG 24 HA ARG 24 9.270 6.064 -5.508 170 HB2 ARG 24 2HB ARG 24 8.885 3.286 -6.630 171 HB3 ARG 24 1HB ARG 24 9.946 4.540 -7.258 172 HG2 ARG 24 2HG ARG 24 10.609 4.066 -4.528 173 HG3 ARG 24 1HG ARG 24 10.536 2.521 -5.377 174 HD2 ARG 24 2HD ARG 24 12.173 3.173 -6.929 175 HD3 ARG 24 1HD ARG 24 12.013 4.877 -6.508 176 HE ARG 24 HE ARG 24 12.909 3.242 -4.326 177 HH11 ARG 24 1HH1 ARG 24 13.917 5.030 -7.148 178 HH12 ARG 24 2HH1 ARG 24 15.532 5.270 -6.572 179 HH21 ARG 24 1HH2 ARG 24 15.033 3.558 -3.567 180 HH22 ARG 24 2HH2 ARG 24 16.166 4.434 -4.541 181 H TYR 25 H TYR 25 6.449 3.979 -5.869 182 HA TYR 25 HA TYR 25 5.502 4.984 -8.305 183 HB2 TYR 25 2HB TYR 25 4.679 2.930 -7.088 184 HB3 TYR 25 1HB TYR 25 3.782 4.005 -6.022 185 HD1 TYR 25 1HD TYR 25 4.288 3.791 -9.726 186 HD2 TYR 25 2HD TYR 25 1.530 4.015 -6.492 187 HE1 TYR 25 1HE TYR 25 2.421 3.809 -11.326 188 HE2 TYR 25 2HE TYR 25 -0.344 4.034 -8.085 189 HH TYR 25 HH TYR 25 -0.625 3.121 -10.607 190 H VAL 26 H VAL 26 5.100 6.129 -5.003 191 HA VAL 26 HA VAL 26 3.182 8.150 -5.687 192 HB VAL 26 HB VAL 26 4.879 8.073 -3.196 193 HG11 VAL 26 1HG1 VAL 26 3.075 9.942 -4.078 194 HG12 VAL 26 2HG1 VAL 26 3.556 9.691 -2.399 195 HG13 VAL 26 3HG1 VAL 26 2.094 8.926 -3.021 196 HG21 VAL 26 3HG2 VAL 26 2.696 6.297 -4.059 197 HG22 VAL 26 1HG2 VAL 26 2.543 6.950 -2.428 198 HG23 VAL 26 2HG2 VAL 26 3.980 6.031 -2.879 199 H LEU 27 H LEU 27 6.609 7.911 -5.796 200 HA LEU 27 HA LEU 27 6.973 10.806 -5.802 201 HB2 LEU 27 2HB LEU 27 8.520 9.031 -4.677 202 HB3 LEU 27 1HB LEU 27 9.162 8.827 -6.295 203 HG LEU 27 HG LEU 27 9.677 11.278 -6.327 204 HD11 LEU 27 1HD1 LEU 27 9.224 12.662 -4.616 205 HD12 LEU 27 2HD1 LEU 27 9.548 11.431 -3.395 206 HD13 LEU 27 3HD1 LEU 27 7.992 11.464 -4.223 207 HD21 LEU 27 3HD2 LEU 27 11.181 9.266 -5.476 208 HD22 LEU 27 1HD2 LEU 27 11.086 10.169 -3.963 209 HD23 LEU 27 2HD2 LEU 27 11.734 10.938 -5.411 210 H ARG 28 H ARG 28 5.600 9.195 -7.983 211 HA ARG 28 HA ARG 28 5.467 9.161 -10.253 212 HB2 ARG 28 2HB ARG 28 7.097 11.665 -9.836 213 HB3 ARG 28 1HB ARG 28 6.503 11.165 -11.414 214 HG2 ARG 28 2HG ARG 28 4.622 11.473 -9.110 215 HG3 ARG 28 1HG ARG 28 5.149 12.876 -10.043 216 HD2 ARG 28 2HD ARG 28 4.443 11.500 -12.101 217 HD3 ARG 28 1HD ARG 28 3.564 10.497 -10.948 218 HE ARG 28 HE ARG 28 2.973 13.268 -10.623 219 HH11 ARG 28 1HH1 ARG 28 2.243 10.459 -12.561 220 HH12 ARG 28 2HH1 ARG 28 0.671 11.027 -13.016 221 HH21 ARG 28 1HH2 ARG 28 0.906 14.016 -11.220 222 HH22 ARG 28 2HH2 ARG 28 -0.087 13.046 -12.255 223 H SER 29 H SER 29 7.633 7.672 -8.981 224 HA SER 29 HA SER 29 10.037 7.886 -10.421 225 HB2 SER 29 2HB SER 29 10.616 5.761 -9.493 226 HB3 SER 29 1HB SER 29 9.659 6.598 -8.271 227 HG SER 29 HG SER 29 8.899 4.472 -9.964 228 H GLY 30 H GLY 30 6.997 6.333 -11.152 229 HA2 GLY 30 2HA GLY 30 6.260 5.749 -13.298 230 HA3 GLY 30 1HA GLY 30 7.916 5.865 -13.874 231 H ILE 31 H ILE 31 7.071 4.025 -11.033 232 HA ILE 31 HA ILE 31 7.956 1.597 -12.401 233 HB ILE 31 HB ILE 31 9.039 2.166 -10.267 234 HG12 ILE 31 2HG1 ILE 31 7.319 -0.322 -10.142 235 HG13 ILE 31 1HG1 ILE 31 8.877 -0.184 -10.951 236 HG21 ILE 31 1HG2 ILE 31 6.753 1.414 -8.600 237 HG22 ILE 31 2HG2 ILE 31 6.565 2.954 -9.438 238 HG23 ILE 31 3HG2 ILE 31 7.950 2.689 -8.380 239 HD11 ILE 31 3HD1 ILE 31 9.522 0.617 -8.448 240 HD12 ILE 31 1HD1 ILE 31 9.669 -1.037 -9.044 241 HD13 ILE 31 2HD1 ILE 31 8.246 -0.556 -8.118 242 H SER 32 H SER 32 6.519 0.199 -13.154 243 HA SER 32 HA SER 32 3.731 0.443 -12.598 244 HB2 SER 32 2HB SER 32 4.934 -1.977 -13.905 245 HB3 SER 32 1HB SER 32 3.403 -1.172 -14.251 246 HG SER 32 HG SER 32 4.482 0.432 -15.302 247 H ILE 33 H ILE 33 2.781 -0.250 -10.808 248 HA ILE 33 HA ILE 33 3.726 -2.769 -9.602 249 HB ILE 33 HB ILE 33 3.284 -1.917 -7.391 250 HG12 ILE 33 2HG1 ILE 33 2.466 0.659 -8.759 251 HG13 ILE 33 1HG1 ILE 33 1.386 -0.454 -7.927 252 HG21 ILE 33 1HG2 ILE 33 4.843 0.286 -7.685 253 HG22 ILE 33 2HG2 ILE 33 5.162 -0.567 -9.195 254 HG23 ILE 33 3HG2 ILE 33 5.444 -1.372 -7.651 255 HD11 ILE 33 3HD1 ILE 33 3.325 1.496 -6.821 256 HD12 ILE 33 1HD1 ILE 33 3.020 0.014 -5.915 257 HD13 ILE 33 2HD1 ILE 33 1.687 1.102 -6.301 258 H ASN 34 H ASN 34 1.957 -3.474 -7.882 259 HA ASN 34 HA ASN 34 -0.491 -3.795 -9.414 260 HB2 ASN 34 2HB ASN 34 0.918 -5.546 -7.896 261 HB3 ASN 34 1HB ASN 34 -0.288 -5.017 -6.728 262 HD21 ASN 34 1HD2 ASN 34 -0.430 -7.549 -7.280 263 HD22 ASN 34 2HD2 ASN 34 -1.723 -7.925 -8.362 264 H THR 35 H THR 35 -1.795 -2.059 -9.251 265 HA THR 35 HA THR 35 -2.036 -0.454 -6.927 266 HB THR 35 HB THR 35 -3.923 0.598 -8.095 267 HG1 THR 35 1HG THR 35 -3.580 -1.483 -9.990 268 HG21 THR 35 3HG2 THR 35 -2.527 1.725 -9.380 269 HG22 THR 35 1HG2 THR 35 -2.362 0.355 -10.478 270 HG23 THR 35 2HG2 THR 35 -1.304 0.492 -9.073 271 H ASP 36 H ASP 36 -3.695 -3.275 -8.117 272 HA ASP 36 HA ASP 36 -6.000 -3.180 -6.523 273 HB2 ASP 36 2HB ASP 36 -4.704 -5.050 -8.274 274 HB3 ASP 36 1HB ASP 36 -5.231 -5.890 -6.823 275 H ASN 37 H ASN 37 -2.800 -4.563 -5.946 276 HA ASN 37 HA ASN 37 -3.501 -5.480 -3.300 277 HB2 ASN 37 2HB ASN 37 -0.935 -5.438 -4.882 278 HB3 ASN 37 1HB ASN 37 -0.982 -5.944 -3.197 279 HD21 ASN 37 1HD2 ASN 37 -0.073 -7.735 -4.895 280 HD22 ASN 37 2HD2 ASN 37 -1.230 -8.981 -5.200 281 H ALA 38 H ALA 38 -1.714 -2.806 -4.739 282 HA ALA 38 HA ALA 38 -0.523 -1.755 -2.452 283 HB1 ALA 38 1HB ALA 38 -1.589 0.055 -4.576 284 HB2 ALA 38 2HB ALA 38 -0.301 -1.088 -4.956 285 HB3 ALA 38 3HB ALA 38 -0.059 0.129 -3.701 286 H ASP 39 H ASP 39 -3.652 -0.872 -3.919 287 HA ASP 39 HA ASP 39 -4.419 0.992 -1.981 288 HB2 ASP 39 2HB ASP 39 -5.478 0.444 -4.284 289 HB3 ASP 39 1HB ASP 39 -6.407 -0.762 -3.400 290 H LEU 40 H LEU 40 -4.168 0.387 0.118 291 HA LEU 40 HA LEU 40 -5.242 -2.147 1.047 292 HB2 LEU 40 2HB LEU 40 -3.836 0.068 2.538 293 HB3 LEU 40 1HB LEU 40 -4.297 -1.477 3.227 294 HG LEU 40 HG LEU 40 -2.260 -1.015 1.048 295 HD11 LEU 40 1HD1 LEU 40 -1.814 -0.578 3.592 296 HD12 LEU 40 2HD1 LEU 40 -0.629 -1.433 2.604 297 HD13 LEU 40 3HD1 LEU 40 -1.712 -2.337 3.661 298 HD21 LEU 40 3HD2 LEU 40 -2.976 -3.062 0.390 299 HD22 LEU 40 1HD2 LEU 40 -3.666 -3.451 1.966 300 HD23 LEU 40 2HD2 LEU 40 -1.926 -3.584 1.708 301 H ASN 41 H ASN 41 -6.152 1.193 0.955 302 HA ASN 41 HA ASN 41 -8.285 0.729 2.910 303 HB2 ASN 41 2HB ASN 41 -8.570 3.140 2.961 304 HB3 ASN 41 1HB ASN 41 -6.873 2.738 3.207 305 HD21 ASN 41 1HD2 ASN 41 -7.051 5.169 2.583 306 HD22 ASN 41 2HD2 ASN 41 -6.759 5.506 0.914 307 H GLU 42 H GLU 42 -7.785 0.719 -0.425 308 HA GLU 42 HA GLU 42 -9.176 0.610 -2.219 309 HB2 GLU 42 2HB GLU 42 -11.297 0.102 -0.126 310 HB3 GLU 42 1HB GLU 42 -11.445 -0.233 -1.846 311 HG2 GLU 42 2HG GLU 42 -9.114 -1.484 -0.628 312 HG3 GLU 42 1HG GLU 42 -10.642 -2.009 0.077 313 H ASP 43 H ASP 43 -8.627 3.175 -1.209 314 HA ASP 43 HA ASP 43 -11.053 4.707 -1.081 315 HB2 ASP 43 2HB ASP 43 -9.533 6.666 -1.118 316 HB3 ASP 43 1HB ASP 43 -9.087 5.487 0.112 317 H GLY 44 H GLY 44 -9.139 3.437 -3.606 318 HA2 GLY 44 2HA GLY 44 -10.042 3.463 -5.840 319 HA3 GLY 44 1HA GLY 44 -10.642 5.084 -5.530 320 H ARG 45 H ARG 45 -7.564 4.853 -4.263 321 HA ARG 45 HA ARG 45 -6.015 5.170 -6.628 322 HB2 ARG 45 2HB ARG 45 -5.421 7.590 -6.165 323 HB3 ARG 45 1HB ARG 45 -7.012 7.306 -6.856 324 HG2 ARG 45 2HG ARG 45 -6.976 7.344 -3.933 325 HG3 ARG 45 1HG ARG 45 -6.491 8.865 -4.686 326 HD2 ARG 45 2HD ARG 45 -8.591 8.545 -6.151 327 HD3 ARG 45 1HD ARG 45 -9.087 7.384 -4.921 328 HE ARG 45 HE ARG 45 -8.472 9.577 -3.472 329 HH11 ARG 45 1HH1 ARG 45 -10.517 9.064 -6.253 330 HH12 ARG 45 2HH1 ARG 45 -11.614 10.338 -5.839 331 HH21 ARG 45 1HH2 ARG 45 -9.913 11.254 -2.925 332 HH22 ARG 45 2HH2 ARG 45 -11.271 11.582 -3.949 333 H VAL 46 H VAL 46 -3.826 5.153 -6.211 334 HA VAL 46 HA VAL 46 -3.079 4.395 -3.524 335 HB VAL 46 HB VAL 46 -1.269 4.697 -5.922 336 HG11 VAL 46 1HG1 VAL 46 0.363 3.720 -4.705 337 HG12 VAL 46 2HG1 VAL 46 -0.761 2.688 -3.824 338 HG13 VAL 46 3HG1 VAL 46 -0.555 4.373 -3.348 339 HG21 VAL 46 3HG2 VAL 46 -1.578 2.268 -6.241 340 HG22 VAL 46 1HG2 VAL 46 -3.062 3.183 -6.506 341 HG23 VAL 46 2HG2 VAL 46 -2.835 2.288 -5.004 342 H ASN 47 H ASN 47 -3.087 6.166 -2.210 343 HA ASN 47 HA ASN 47 -1.386 8.436 -3.000 344 HB2 ASN 47 2HB ASN 47 -2.680 9.571 -1.044 345 HB3 ASN 47 1HB ASN 47 -3.478 9.370 -2.600 346 HD21 ASN 47 1HD2 ASN 47 -5.533 9.361 -1.790 347 HD22 ASN 47 2HD2 ASN 47 -6.162 8.083 -0.814 348 H SER 48 H SER 48 -0.711 9.637 -0.783 349 HA SER 48 HA SER 48 1.339 8.107 0.321 350 HB2 SER 48 2HB SER 48 1.167 9.954 2.198 351 HB3 SER 48 1HB SER 48 1.698 10.380 0.571 352 HG SER 48 HG SER 48 -0.990 10.561 1.456 353 H THR 49 H THR 49 -1.999 8.436 1.253 354 HA THR 49 HA THR 49 -1.860 7.528 3.897 355 HB THR 49 HB THR 49 -4.146 6.832 2.075 356 HG1 THR 49 1HG THR 49 -3.486 9.393 3.090 357 HG21 THR 49 3HG2 THR 49 -5.505 6.995 3.908 358 HG22 THR 49 1HG2 THR 49 -4.402 8.067 4.769 359 HG23 THR 49 2HG2 THR 49 -4.032 6.348 4.630 360 H ASP 50 H ASP 50 -2.419 5.707 0.888 361 HA ASP 50 HA ASP 50 -2.613 3.165 2.028 362 HB2 ASP 50 2HB ASP 50 -1.531 3.932 -0.692 363 HB3 ASP 50 1HB ASP 50 -2.021 2.311 -0.215 364 H LEU 51 H LEU 51 0.212 4.951 0.859 365 HA LEU 51 HA LEU 51 2.132 2.952 1.192 366 HB2 LEU 51 2HB LEU 51 2.536 5.075 0.014 367 HB3 LEU 51 1HB LEU 51 2.455 5.934 1.541 368 HG LEU 51 HG LEU 51 4.440 4.581 2.302 369 HD11 LEU 51 1HD1 LEU 51 5.817 3.582 0.497 370 HD12 LEU 51 2HD1 LEU 51 4.459 3.797 -0.606 371 HD13 LEU 51 3HD1 LEU 51 4.302 2.726 0.786 372 HD21 LEU 51 3HD2 LEU 51 5.130 6.135 -0.160 373 HD22 LEU 51 1HD2 LEU 51 5.955 6.084 1.398 374 HD23 LEU 51 2HD2 LEU 51 4.423 6.941 1.240 375 H GLY 52 H GLY 52 0.664 5.150 3.496 376 HA2 GLY 52 2HA GLY 52 2.491 4.557 5.627 377 HA3 GLY 52 1HA GLY 52 0.960 5.406 5.773 378 H ILE 53 H ILE 53 -0.608 3.289 4.569 379 HA ILE 53 HA ILE 53 -1.094 1.737 6.913 380 HB ILE 53 HB ILE 53 -2.229 1.371 4.135 381 HG12 ILE 53 2HG1 ILE 53 -3.543 2.769 6.460 382 HG13 ILE 53 1HG1 ILE 53 -2.552 3.638 5.293 383 HG21 ILE 53 1HG2 ILE 53 -4.027 0.164 5.222 384 HG22 ILE 53 2HG2 ILE 53 -3.279 0.421 6.798 385 HG23 ILE 53 3HG2 ILE 53 -2.479 -0.593 5.597 386 HD11 ILE 53 3HD1 ILE 53 -4.196 2.354 3.615 387 HD12 ILE 53 1HD1 ILE 53 -4.540 3.946 4.291 388 HD13 ILE 53 2HD1 ILE 53 -5.253 2.506 5.018 389 H LEU 54 H LEU 54 0.545 1.179 3.865 390 HA LEU 54 HA LEU 54 0.786 -1.648 4.172 391 HB2 LEU 54 2HB LEU 54 1.090 0.004 2.081 392 HB3 LEU 54 1HB LEU 54 2.771 -0.161 2.548 393 HG LEU 54 HG LEU 54 1.168 -2.651 2.239 394 HD11 LEU 54 1HD1 LEU 54 1.328 -2.706 -0.102 395 HD12 LEU 54 2HD1 LEU 54 2.375 -1.287 -0.149 396 HD13 LEU 54 3HD1 LEU 54 0.672 -1.113 0.276 397 HD21 LEU 54 3HD2 LEU 54 3.452 -2.812 3.002 398 HD22 LEU 54 1HD2 LEU 54 4.013 -1.857 1.629 399 HD23 LEU 54 2HD2 LEU 54 3.334 -3.464 1.368 400 H LYS 55 H LYS 55 3.035 1.067 4.642 401 HA LYS 55 HA LYS 55 5.227 -0.439 5.512 402 HB2 LYS 55 2HB LYS 55 4.987 2.104 4.899 403 HB3 LYS 55 1HB LYS 55 4.702 2.290 6.624 404 HG2 LYS 55 2HG LYS 55 6.858 1.227 7.088 405 HG3 LYS 55 1HG LYS 55 7.144 1.068 5.355 406 HD2 LYS 55 2HD LYS 55 6.549 3.742 6.566 407 HD3 LYS 55 1HD LYS 55 8.181 3.074 6.623 408 HE2 LYS 55 2HE LYS 55 8.322 2.993 4.253 409 HE3 LYS 55 1HE LYS 55 6.601 3.332 4.074 410 HZ1 LYS 55 3HZ LYS 55 8.561 5.231 5.246 411 HZ2 LYS 55 1HZ LYS 55 6.938 5.543 4.880 412 HZ3 LYS 55 2HZ LYS 55 8.049 5.267 3.634 413 H ARG 56 H ARG 56 2.429 0.799 7.230 414 HA ARG 56 HA ARG 56 3.431 0.194 9.842 415 HB2 ARG 56 2HB ARG 56 0.728 0.936 8.753 416 HB3 ARG 56 1HB ARG 56 0.931 0.463 10.434 417 HG2 ARG 56 2HG ARG 56 2.053 2.367 10.983 418 HG3 ARG 56 1HG ARG 56 2.722 2.572 9.363 419 HD2 ARG 56 2HD ARG 56 1.097 3.991 8.841 420 HD3 ARG 56 1HD ARG 56 -0.121 2.774 9.222 421 HE ARG 56 HE ARG 56 -0.489 3.812 11.232 422 HH11 ARG 56 1HH1 ARG 56 2.465 5.041 9.840 423 HH12 ARG 56 2HH1 ARG 56 2.635 6.309 11.008 424 HH21 ARG 56 1HH2 ARG 56 -0.267 5.478 12.769 425 HH22 ARG 56 2HH2 ARG 56 1.085 6.556 12.671 426 H TYR 57 H TYR 57 1.436 -1.463 7.471 427 HA TYR 57 HA TYR 57 0.532 -3.556 9.128 428 HB2 TYR 57 2HB TYR 57 -0.469 -3.027 6.935 429 HB3 TYR 57 1HB TYR 57 1.001 -3.579 6.139 430 HD1 TYR 57 2HD TYR 57 -1.827 -4.702 8.260 431 HD2 TYR 57 1HD TYR 57 1.322 -5.859 5.643 432 HE1 TYR 57 2HE TYR 57 -2.730 -6.987 8.194 433 HE2 TYR 57 1HE TYR 57 0.426 -8.147 5.568 434 HH TYR 57 HH TYR 57 -2.505 -9.000 6.300 435 H ILE 58 H ILE 58 3.485 -3.075 7.309 436 HA ILE 58 HA ILE 58 4.403 -5.784 7.741 437 HB ILE 58 HB ILE 58 5.986 -3.439 6.694 438 HG12 ILE 58 2HG1 ILE 58 4.568 -5.533 5.046 439 HG13 ILE 58 1HG1 ILE 58 3.838 -3.977 5.431 440 HG21 ILE 58 1HG2 ILE 58 6.392 -6.418 6.599 441 HG22 ILE 58 2HG2 ILE 58 7.437 -5.202 7.334 442 HG23 ILE 58 3HG2 ILE 58 7.281 -5.285 5.580 443 HD11 ILE 58 3HD1 ILE 58 6.542 -3.948 4.229 444 HD12 ILE 58 1HD1 ILE 58 5.186 -2.842 4.010 445 HD13 ILE 58 2HD1 ILE 58 5.189 -4.406 3.196 446 H LEU 59 H LEU 59 4.552 -2.780 9.402 447 HA LEU 59 HA LEU 59 6.876 -3.593 10.974 448 HB2 LEU 59 2HB LEU 59 5.430 -1.056 10.487 449 HB3 LEU 59 1HB LEU 59 6.125 -1.255 12.086 450 HG LEU 59 HG LEU 59 8.339 -1.547 11.139 451 HD11 LEU 59 1HD1 LEU 59 8.818 -1.587 8.852 452 HD12 LEU 59 2HD1 LEU 59 7.213 -1.003 8.413 453 HD13 LEU 59 3HD1 LEU 59 7.419 -2.645 9.024 454 HD21 LEU 59 3HD2 LEU 59 7.485 0.738 11.576 455 HD22 LEU 59 1HD2 LEU 59 6.983 0.839 9.888 456 HD23 LEU 59 2HD2 LEU 59 8.693 0.680 10.292 457 H LYS 60 H LYS 60 4.136 -4.866 11.113 458 HA LYS 60 HA LYS 60 2.703 -5.689 12.677 459 HB2 LYS 60 2HB LYS 60 5.272 -5.306 14.124 460 HB3 LYS 60 1HB LYS 60 3.846 -5.657 15.091 461 HG2 LYS 60 2HG LYS 60 3.546 -7.750 14.108 462 HG3 LYS 60 1HG LYS 60 4.584 -7.354 12.736 463 HD2 LYS 60 2HD LYS 60 6.115 -8.552 13.880 464 HD3 LYS 60 1HD LYS 60 6.328 -7.045 14.774 465 HE2 LYS 60 2HE LYS 60 4.964 -7.789 16.548 466 HE3 LYS 60 1HE LYS 60 4.332 -9.135 15.600 467 HZ1 LYS 60 3HZ LYS 60 6.829 -8.914 17.069 468 HZ2 LYS 60 1HZ LYS 60 6.924 -9.703 15.576 469 HZ3 LYS 60 2HZ LYS 60 5.866 -10.271 16.767 470 H GLU 61 H GLU 61 2.590 -2.825 12.101 471 HA GLU 61 HA GLU 61 1.847 -1.627 14.652 472 HB2 GLU 61 2HB GLU 61 1.934 -0.506 11.848 473 HB3 GLU 61 1HB GLU 61 1.438 0.415 13.261 474 HG2 GLU 61 2HG GLU 61 3.644 0.091 14.251 475 HG3 GLU 61 1HG GLU 61 4.142 -0.836 12.837 476 H ILE 62 H ILE 62 0.386 -2.914 11.755 477 HA ILE 62 HA ILE 62 -2.219 -2.836 13.051 478 HB ILE 62 HB ILE 62 -3.290 -2.001 10.923 479 HG12 ILE 62 2HG1 ILE 62 -0.731 -0.629 10.259 480 HG13 ILE 62 1HG1 ILE 62 -0.903 -2.310 9.763 481 HG21 ILE 62 1HG2 ILE 62 -3.375 0.101 11.767 482 HG22 ILE 62 2HG2 ILE 62 -1.622 0.223 11.935 483 HG23 ILE 62 3HG2 ILE 62 -2.562 -0.681 13.123 484 HD11 ILE 62 3HD1 ILE 62 -2.211 -1.750 8.065 485 HD12 ILE 62 1HD1 ILE 62 -1.781 -0.072 8.397 486 HD13 ILE 62 2HD1 ILE 62 -3.247 -0.762 9.095 487 H ASP 63 H ASP 63 -3.335 -4.651 12.679 488 HA ASP 63 HA ASP 63 -2.481 -6.363 10.437 489 HB2 ASP 63 2HB ASP 63 -3.195 -7.085 13.270 490 HB3 ASP 63 1HB ASP 63 -3.280 -8.272 11.972 491 H THR 64 H THR 64 -4.813 -4.361 11.046 492 HA THR 64 HA THR 64 -7.029 -6.179 10.401 493 HB THR 64 HB THR 64 -7.112 -3.309 11.353 494 HG1 THR 64 1HG THR 64 -7.802 -4.238 13.301 495 HG21 THR 64 3HG2 THR 64 -9.478 -3.716 11.787 496 HG22 THR 64 1HG2 THR 64 -9.343 -5.300 11.027 497 HG23 THR 64 2HG2 THR 64 -9.095 -3.840 10.071 498 H LEU 65 H LEU 65 -7.191 -6.426 8.260 499 HA LEU 65 HA LEU 65 -7.389 -4.000 6.621 500 HB2 LEU 65 2HB LEU 65 -5.413 -6.135 6.393 501 HB3 LEU 65 1HB LEU 65 -6.289 -5.862 4.899 502 HG LEU 65 HG LEU 65 -5.628 -3.510 4.914 503 HD11 LEU 65 1HD1 LEU 65 -5.364 -2.751 7.041 504 HD12 LEU 65 2HD1 LEU 65 -3.675 -3.078 6.652 505 HD13 LEU 65 3HD1 LEU 65 -4.603 -4.240 7.599 506 HD21 LEU 65 3HD2 LEU 65 -3.669 -5.717 4.923 507 HD22 LEU 65 1HD2 LEU 65 -3.007 -4.084 5.001 508 HD23 LEU 65 2HD2 LEU 65 -4.058 -4.546 3.663 509 HA PRO 66 HA PRO 66 -7.530 -3.832 4.273 510 HB2 PRO 66 2HB PRO 66 -9.522 -2.700 2.860 511 HB3 PRO 66 1HB PRO 66 -8.713 -4.176 2.320 512 HG2 PRO 66 2HG PRO 66 -11.340 -3.861 3.719 513 HG3 PRO 66 1HG PRO 66 -10.919 -4.911 2.355 514 HD2 PRO 66 2HD PRO 66 -11.069 -5.785 4.937 515 HD3 PRO 66 1HD PRO 66 -10.012 -6.521 3.715 516 H TYR 67 H TYR 67 -7.523 -1.539 4.520 517 HA TYR 67 HA TYR 67 -8.587 -0.649 7.005 518 HB2 TYR 67 2HB TYR 67 -6.429 0.151 6.134 519 HB3 TYR 67 1HB TYR 67 -7.260 0.936 4.796 520 HD1 TYR 67 1HD TYR 67 -7.468 0.854 8.532 521 HD2 TYR 67 2HD TYR 67 -7.580 3.205 4.990 522 HE1 TYR 67 1HE TYR 67 -7.729 2.884 9.895 523 HE2 TYR 67 2HE TYR 67 -7.840 5.242 6.341 524 HH TYR 67 HH TYR 67 -8.543 5.147 9.691 525 H LYS 68 H LYS 68 -10.570 0.062 7.377 526 HA LYS 68 HA LYS 68 -11.960 1.560 5.265 527 HB2 LYS 68 2HB LYS 68 -12.657 -0.976 5.783 528 HB3 LYS 68 1HB LYS 68 -13.602 -0.175 7.030 529 HG2 LYS 68 2HG LYS 68 -13.800 1.024 4.357 530 HG3 LYS 68 1HG LYS 68 -14.452 -0.609 4.504 531 HD2 LYS 68 2HD LYS 68 -16.167 0.055 5.812 532 HD3 LYS 68 1HD LYS 68 -15.182 1.237 6.677 533 HE2 LYS 68 2HE LYS 68 -15.276 2.447 4.306 534 HE3 LYS 68 1HE LYS 68 -16.782 1.536 4.196 535 HZ1 LYS 68 3HZ LYS 68 -17.753 2.783 5.780 536 HZ2 LYS 68 1HZ LYS 68 -16.598 3.932 5.325 537 HZ3 LYS 68 2HZ LYS 68 -16.338 2.964 6.687 538 H ASN 69 H ASN 69 -10.961 3.261 6.713 539 HA ASN 69 HA ASN 69 -12.947 4.020 8.729 540 HB2 ASN 69 2HB ASN 69 -10.129 3.405 9.215 541 HB3 ASN 69 1HB ASN 69 -10.595 4.999 9.801 542 HD21 ASN 69 1HD2 ASN 69 -9.969 2.285 11.054 543 HD22 ASN 69 2HD2 ASN 69 -11.256 2.059 12.186 Start of MODEL 19 1 H1 SER 1 1HT SER 1 -0.426 -11.955 -8.288 2 H2 SER 1 2HT SER 1 -0.870 -13.204 -9.378 3 H3 SER 1 3HT SER 1 0.740 -12.612 -9.358 4 HA SER 1 HA SER 1 0.587 -14.719 -8.280 5 HB2 SER 1 2HB SER 1 1.377 -12.197 -6.946 6 HB3 SER 1 1HB SER 1 1.272 -13.610 -5.896 7 HG SER 1 HG SER 1 3.109 -12.998 -7.825 8 H THR 2 H THR 2 -0.853 -12.382 -6.010 9 HA THR 2 HA THR 2 -3.254 -13.919 -5.702 10 HB THR 2 HB THR 2 -2.652 -14.086 -3.109 11 HG1 THR 2 1HG THR 2 -0.498 -13.233 -3.593 12 HG21 THR 2 3HG2 THR 2 -2.557 -16.324 -3.346 13 HG22 THR 2 1HG2 THR 2 -1.373 -16.248 -4.650 14 HG23 THR 2 2HG2 THR 2 -3.074 -15.930 -4.985 15 H LYS 3 H LYS 3 -4.867 -12.634 -5.034 16 HA LYS 3 HA LYS 3 -4.455 -9.869 -4.697 17 HB2 LYS 3 2HB LYS 3 -6.640 -11.549 -5.127 18 HB3 LYS 3 1HB LYS 3 -6.973 -10.790 -3.577 19 HG2 LYS 3 2HG LYS 3 -6.658 -8.583 -4.605 20 HG3 LYS 3 1HG LYS 3 -6.372 -9.364 -6.162 21 HD2 LYS 3 2HD LYS 3 -8.622 -8.786 -6.268 22 HD3 LYS 3 1HD LYS 3 -8.671 -10.476 -5.763 23 HE2 LYS 3 2HE LYS 3 -8.640 -9.426 -3.358 24 HE3 LYS 3 1HE LYS 3 -9.254 -8.004 -4.201 25 HZ1 LYS 3 3HZ LYS 3 -10.481 -10.709 -4.233 26 HZ2 LYS 3 1HZ LYS 3 -11.065 -9.359 -5.072 27 HZ3 LYS 3 2HZ LYS 3 -11.058 -9.367 -3.380 28 H LEU 4 H LEU 4 -2.929 -9.660 -3.010 29 HA LEU 4 HA LEU 4 -4.062 -10.066 -0.320 30 HB2 LEU 4 2HB LEU 4 -1.889 -11.355 -1.218 31 HB3 LEU 4 1HB LEU 4 -1.120 -9.885 -0.651 32 HG LEU 4 HG LEU 4 -2.812 -11.749 1.015 33 HD11 LEU 4 1HD1 LEU 4 -0.282 -12.194 0.221 34 HD12 LEU 4 2HD1 LEU 4 -0.924 -12.712 1.781 35 HD13 LEU 4 3HD1 LEU 4 0.013 -11.222 1.664 36 HD21 LEU 4 3HD2 LEU 4 -1.943 -10.321 2.895 37 HD22 LEU 4 1HD2 LEU 4 -3.134 -9.550 1.847 38 HD23 LEU 4 2HD2 LEU 4 -1.423 -9.161 1.672 39 H TYR 5 H TYR 5 -4.321 -8.288 0.862 40 HA TYR 5 HA TYR 5 -3.837 -5.720 -0.138 41 HB2 TYR 5 2HB TYR 5 -4.595 -6.814 2.542 42 HB3 TYR 5 1HB TYR 5 -4.150 -5.116 2.406 43 HD1 TYR 5 1HD TYR 5 -5.326 -4.053 0.122 44 HD2 TYR 5 2HD TYR 5 -6.866 -7.159 2.588 45 HE1 TYR 5 1HE TYR 5 -7.604 -3.516 -0.633 46 HE2 TYR 5 2HE TYR 5 -9.148 -6.631 1.840 47 HH TYR 5 HH TYR 5 -10.234 -5.549 -0.134 48 H GLY 6 H GLY 6 -1.791 -5.162 -0.659 49 HA2 GLY 6 2HA GLY 6 0.091 -3.944 0.378 50 HA3 GLY 6 1HA GLY 6 0.207 -5.276 1.518 51 H ASP 7 H ASP 7 -0.504 -6.276 -1.656 52 HA ASP 7 HA ASP 7 2.282 -7.142 -1.997 53 HB2 ASP 7 2HB ASP 7 0.546 -8.918 -1.866 54 HB3 ASP 7 1HB ASP 7 -0.214 -8.245 -3.304 55 H VAL 8 H VAL 8 2.666 -4.892 -2.774 56 HA VAL 8 HA VAL 8 1.541 -4.034 -5.249 57 HB VAL 8 HB VAL 8 3.412 -2.356 -5.227 58 HG11 VAL 8 1HG1 VAL 8 1.283 -2.684 -3.249 59 HG12 VAL 8 2HG1 VAL 8 1.688 -1.300 -4.265 60 HG13 VAL 8 3HG1 VAL 8 2.559 -1.570 -2.755 61 HG21 VAL 8 3HG2 VAL 8 4.057 -3.156 -2.441 62 HG22 VAL 8 1HG2 VAL 8 5.051 -2.329 -3.641 63 HG23 VAL 8 2HG2 VAL 8 4.798 -4.071 -3.754 64 H ASN 9 H ASN 9 4.338 -5.919 -4.344 65 HA ASN 9 HA ASN 9 5.497 -5.792 -6.996 66 HB2 ASN 9 2HB ASN 9 7.149 -7.432 -6.022 67 HB3 ASN 9 1HB ASN 9 7.066 -5.878 -5.199 68 HD21 ASN 9 1HD2 ASN 9 7.997 -6.895 -3.372 69 HD22 ASN 9 2HD2 ASN 9 7.033 -7.858 -2.310 70 H ASP 10 H ASP 10 3.043 -7.565 -5.550 71 HA ASP 10 HA ASP 10 1.881 -9.428 -6.134 72 HB2 ASP 10 2HB ASP 10 2.034 -8.151 -8.364 73 HB3 ASP 10 1HB ASP 10 3.264 -9.331 -8.808 74 H ASP 11 H ASP 11 3.738 -10.220 -4.562 75 HA ASP 11 HA ASP 11 5.042 -12.506 -5.888 76 HB2 ASP 11 2HB ASP 11 6.823 -12.356 -4.178 77 HB3 ASP 11 1HB ASP 11 6.728 -10.907 -5.173 78 H GLY 12 H GLY 12 2.582 -11.701 -3.877 79 HA2 GLY 12 2HA GLY 12 1.222 -13.057 -2.596 80 HA3 GLY 12 1HA GLY 12 2.343 -14.380 -2.879 81 H LYS 13 H LYS 13 3.482 -11.361 -1.587 82 HA LYS 13 HA LYS 13 3.211 -12.038 1.164 83 HB2 LYS 13 2HB LYS 13 4.934 -13.681 0.554 84 HB3 LYS 13 1HB LYS 13 5.947 -12.389 -0.074 85 HG2 LYS 13 2HG LYS 13 6.896 -12.454 1.948 86 HG3 LYS 13 1HG LYS 13 5.493 -11.508 2.449 87 HD2 LYS 13 2HD LYS 13 4.539 -14.065 2.598 88 HD3 LYS 13 1HD LYS 13 6.224 -14.274 3.077 89 HE2 LYS 13 2HE LYS 13 5.726 -12.185 4.583 90 HE3 LYS 13 1HE LYS 13 4.053 -12.705 4.388 91 HZ1 LYS 13 3HZ LYS 13 4.930 -13.701 6.349 92 HZ2 LYS 13 1HZ LYS 13 6.292 -14.284 5.530 93 HZ3 LYS 13 2HZ LYS 13 4.764 -14.924 5.192 94 H VAL 14 H VAL 14 3.330 -10.221 2.326 95 HA VAL 14 HA VAL 14 4.206 -7.786 0.999 96 HB VAL 14 HB VAL 14 3.002 -8.051 3.754 97 HG11 VAL 14 1HG1 VAL 14 3.143 -5.715 1.851 98 HG12 VAL 14 2HG1 VAL 14 4.141 -5.931 3.289 99 HG13 VAL 14 3HG1 VAL 14 2.398 -5.713 3.450 100 HG21 VAL 14 3HG2 VAL 14 1.695 -7.865 1.057 101 HG22 VAL 14 1HG2 VAL 14 0.884 -7.315 2.523 102 HG23 VAL 14 2HG2 VAL 14 1.372 -9.001 2.366 103 H ASN 15 H ASN 15 6.395 -7.654 1.024 104 HA ASN 15 HA ASN 15 7.735 -7.868 3.640 105 HB2 ASN 15 2HB ASN 15 9.820 -8.256 2.341 106 HB3 ASN 15 1HB ASN 15 8.598 -9.493 2.063 107 HD21 ASN 15 1HD2 ASN 15 10.815 -8.820 0.381 108 HD22 ASN 15 2HD2 ASN 15 10.164 -8.310 -1.136 109 H SER 16 H SER 16 9.995 -6.546 3.344 110 HA SER 16 HA SER 16 9.296 -3.849 3.566 111 HB2 SER 16 2HB SER 16 11.872 -5.344 3.356 112 HB3 SER 16 1HB SER 16 11.905 -3.590 3.167 113 HG SER 16 HG SER 16 11.250 -5.135 5.404 114 H THR 17 H THR 17 10.299 -5.744 0.814 115 HA THR 17 HA THR 17 11.062 -3.705 -0.936 116 HB THR 17 HB THR 17 9.622 -6.246 -1.708 117 HG1 THR 17 1HG THR 17 11.730 -7.147 -1.774 118 HG21 THR 17 3HG2 THR 17 10.020 -4.653 -3.545 119 HG22 THR 17 1HG2 THR 17 10.908 -6.166 -3.729 120 HG23 THR 17 2HG2 THR 17 11.746 -4.713 -3.184 121 H ASP 18 H ASP 18 7.881 -4.962 -0.104 122 HA ASP 18 HA ASP 18 6.411 -3.664 -2.120 123 HB2 ASP 18 2HB ASP 18 5.645 -4.626 0.637 124 HB3 ASP 18 1HB ASP 18 4.479 -3.929 -0.485 125 H ALA 19 H ALA 19 7.617 -2.584 0.982 126 HA ALA 19 HA ALA 19 6.070 -0.187 1.091 127 HB1 ALA 19 1HB ALA 19 6.792 -0.808 3.181 128 HB2 ALA 19 2HB ALA 19 7.981 0.428 2.771 129 HB3 ALA 19 3HB ALA 19 8.392 -1.279 2.608 130 H VAL 20 H VAL 20 9.510 -0.803 0.372 131 HA VAL 20 HA VAL 20 10.164 1.829 -0.330 132 HB VAL 20 HB VAL 20 11.861 0.118 0.143 133 HG11 VAL 20 1HG1 VAL 20 11.210 -1.022 -2.569 134 HG12 VAL 20 2HG1 VAL 20 10.702 -1.737 -1.040 135 HG13 VAL 20 3HG1 VAL 20 12.419 -1.608 -1.426 136 HG21 VAL 20 3HG2 VAL 20 12.070 1.363 -2.597 137 HG22 VAL 20 1HG2 VAL 20 13.423 0.692 -1.686 138 HG23 VAL 20 2HG2 VAL 20 12.551 2.094 -1.065 139 H ALA 21 H ALA 21 9.000 -0.877 -2.292 140 HA ALA 21 HA ALA 21 9.258 0.355 -4.806 141 HB1 ALA 21 1HB ALA 21 7.265 -1.309 -5.313 142 HB2 ALA 21 2HB ALA 21 7.715 -1.947 -3.732 143 HB3 ALA 21 3HB ALA 21 8.907 -1.889 -5.031 144 H LEU 22 H LEU 22 6.568 0.263 -2.501 145 HA LEU 22 HA LEU 22 4.683 1.607 -4.091 146 HB2 LEU 22 2HB LEU 22 4.334 0.334 -1.896 147 HB3 LEU 22 1HB LEU 22 4.831 1.812 -1.093 148 HG LEU 22 HG LEU 22 2.953 3.007 -2.177 149 HD11 LEU 22 1HD1 LEU 22 2.277 2.008 -4.086 150 HD12 LEU 22 2HD1 LEU 22 1.163 1.186 -2.992 151 HD13 LEU 22 3HD1 LEU 22 2.650 0.386 -3.500 152 HD21 LEU 22 3HD2 LEU 22 1.528 2.441 -0.520 153 HD22 LEU 22 1HD2 LEU 22 2.904 1.492 0.042 154 HD23 LEU 22 2HD2 LEU 22 1.617 0.718 -0.883 155 H LYS 23 H LYS 23 7.214 2.776 -1.949 156 HA LYS 23 HA LYS 23 6.436 5.472 -1.830 157 HB2 LYS 23 2HB LYS 23 8.482 3.955 -0.770 158 HB3 LYS 23 1HB LYS 23 9.332 5.044 -1.858 159 HG2 LYS 23 2HG LYS 23 7.651 6.761 -0.589 160 HG3 LYS 23 1HG LYS 23 7.984 5.586 0.683 161 HD2 LYS 23 2HD LYS 23 10.086 7.010 -0.946 162 HD3 LYS 23 1HD LYS 23 9.572 7.486 0.673 163 HE2 LYS 23 2HE LYS 23 10.495 5.589 1.657 164 HE3 LYS 23 1HE LYS 23 10.541 4.705 0.132 165 HZ1 LYS 23 3HZ LYS 23 12.733 5.281 0.442 166 HZ2 LYS 23 1HZ LYS 23 12.370 6.787 1.122 167 HZ3 LYS 23 2HZ LYS 23 12.200 6.547 -0.544 168 H ARG 24 H ARG 24 8.466 3.717 -4.132 169 HA ARG 24 HA ARG 24 9.379 5.911 -5.613 170 HB2 ARG 24 2HB ARG 24 8.772 3.162 -6.708 171 HB3 ARG 24 1HB ARG 24 9.916 4.333 -7.351 172 HG2 ARG 24 2HG ARG 24 10.421 3.604 -4.569 173 HG3 ARG 24 1HG ARG 24 10.534 2.252 -5.698 174 HD2 ARG 24 2HD ARG 24 12.123 3.488 -7.055 175 HD3 ARG 24 1HD ARG 24 11.969 4.889 -5.995 176 HE ARG 24 HE ARG 24 13.395 3.883 -4.514 177 HH11 ARG 24 1HH1 ARG 24 12.262 1.492 -6.789 178 HH12 ARG 24 2HH1 ARG 24 13.351 0.266 -6.234 179 HH21 ARG 24 1HH2 ARG 24 14.828 2.272 -3.783 180 HH22 ARG 24 2HH2 ARG 24 14.808 0.708 -4.526 181 H TYR 25 H TYR 25 6.406 4.034 -5.828 182 HA TYR 25 HA TYR 25 5.474 5.185 -8.246 183 HB2 TYR 25 2HB TYR 25 4.664 3.031 -7.183 184 HB3 TYR 25 1HB TYR 25 3.761 4.026 -6.045 185 HD1 TYR 25 1HD TYR 25 1.832 5.330 -6.792 186 HD2 TYR 25 2HD TYR 25 3.965 2.819 -9.484 187 HE1 TYR 25 1HE TYR 25 -0.034 5.467 -8.387 188 HE2 TYR 25 2HE TYR 25 2.105 2.949 -11.088 189 HH TYR 25 HH TYR 25 -0.250 5.204 -10.994 190 H VAL 26 H VAL 26 4.661 5.825 -4.839 191 HA VAL 26 HA VAL 26 2.890 7.949 -5.326 192 HB VAL 26 HB VAL 26 4.617 7.630 -2.871 193 HG11 VAL 26 1HG1 VAL 26 1.854 8.797 -3.151 194 HG12 VAL 26 2HG1 VAL 26 3.334 9.754 -3.148 195 HG13 VAL 26 3HG1 VAL 26 2.888 8.817 -1.723 196 HG21 VAL 26 3HG2 VAL 26 2.235 6.510 -2.208 197 HG22 VAL 26 1HG2 VAL 26 3.657 5.601 -2.721 198 HG23 VAL 26 2HG2 VAL 26 2.395 5.999 -3.888 199 H LEU 27 H LEU 27 6.342 7.798 -5.378 200 HA LEU 27 HA LEU 27 6.651 10.680 -5.148 201 HB2 LEU 27 2HB LEU 27 8.253 8.951 -4.171 202 HB3 LEU 27 1HB LEU 27 8.800 8.685 -5.815 203 HG LEU 27 HG LEU 27 9.155 11.301 -5.778 204 HD11 LEU 27 1HD1 LEU 27 9.661 12.231 -3.687 205 HD12 LEU 27 2HD1 LEU 27 9.641 10.660 -2.886 206 HD13 LEU 27 3HD1 LEU 27 8.134 11.383 -3.448 207 HD21 LEU 27 3HD2 LEU 27 10.850 9.048 -4.879 208 HD22 LEU 27 1HD2 LEU 27 11.447 10.677 -4.561 209 HD23 LEU 27 2HD2 LEU 27 11.077 10.179 -6.213 210 H ARG 28 H ARG 28 5.445 8.975 -7.523 211 HA ARG 28 HA ARG 28 5.285 9.182 -9.779 212 HB2 ARG 28 2HB ARG 28 5.886 11.799 -8.751 213 HB3 ARG 28 1HB ARG 28 6.623 11.605 -10.335 214 HG2 ARG 28 2HG ARG 28 3.827 10.705 -10.089 215 HG3 ARG 28 1HG ARG 28 4.107 12.442 -9.959 216 HD2 ARG 28 2HD ARG 28 3.710 11.992 -12.251 217 HD3 ARG 28 1HD ARG 28 5.443 12.273 -12.086 218 HE ARG 28 HE ARG 28 4.693 9.502 -11.922 219 HH11 ARG 28 1HH1 ARG 28 5.539 12.118 -14.072 220 HH12 ARG 28 2HH1 ARG 28 6.077 11.068 -15.339 221 HH21 ARG 28 1HH2 ARG 28 5.400 8.120 -13.588 222 HH22 ARG 28 2HH2 ARG 28 5.998 8.798 -15.066 223 H SER 29 H SER 29 7.641 7.891 -8.638 224 HA SER 29 HA SER 29 9.987 8.580 -10.027 225 HB2 SER 29 2HB SER 29 10.871 6.497 -9.291 226 HB3 SER 29 1HB SER 29 9.776 7.033 -8.016 227 HG SER 29 HG SER 29 9.548 4.901 -9.785 228 H GLY 30 H GLY 30 7.264 6.517 -10.868 229 HA2 GLY 30 2HA GLY 30 6.611 6.230 -13.153 230 HA3 GLY 30 1HA GLY 30 8.294 6.422 -13.621 231 H ILE 31 H ILE 31 7.242 4.375 -10.978 232 HA ILE 31 HA ILE 31 8.245 2.053 -12.470 233 HB ILE 31 HB ILE 31 9.336 2.501 -10.316 234 HG12 ILE 31 2HG1 ILE 31 7.630 0.011 -10.147 235 HG13 ILE 31 1HG1 ILE 31 9.031 0.166 -11.201 236 HG21 ILE 31 1HG2 ILE 31 7.975 2.021 -8.229 237 HG22 ILE 31 2HG2 ILE 31 6.545 2.221 -9.242 238 HG23 ILE 31 3HG2 ILE 31 7.673 3.561 -9.034 239 HD11 ILE 31 3HD1 ILE 31 9.237 0.607 -8.247 240 HD12 ILE 31 1HD1 ILE 31 10.515 0.239 -9.405 241 HD13 ILE 31 2HD1 ILE 31 9.344 -1.002 -8.962 242 H SER 32 H SER 32 7.068 0.135 -12.592 243 HA SER 32 HA SER 32 4.183 0.485 -12.375 244 HB2 SER 32 2HB SER 32 5.670 -0.626 -14.339 245 HB3 SER 32 1HB SER 32 5.289 -2.067 -13.399 246 HG SER 32 HG SER 32 3.551 -1.934 -14.633 247 H ILE 33 H ILE 33 2.931 -0.489 -10.900 248 HA ILE 33 HA ILE 33 3.991 -2.748 -9.373 249 HB ILE 33 HB ILE 33 3.350 -1.789 -7.238 250 HG12 ILE 33 2HG1 ILE 33 2.700 0.720 -8.803 251 HG13 ILE 33 1HG1 ILE 33 1.522 -0.342 -8.039 252 HG21 ILE 33 1HG2 ILE 33 5.035 0.080 -7.146 253 HG22 ILE 33 2HG2 ILE 33 5.214 -0.104 -8.891 254 HG23 ILE 33 3HG2 ILE 33 5.620 -1.443 -7.817 255 HD11 ILE 33 3HD1 ILE 33 2.724 0.167 -5.859 256 HD12 ILE 33 1HD1 ILE 33 1.766 1.461 -6.578 257 HD13 ILE 33 2HD1 ILE 33 3.522 1.469 -6.739 258 H ASN 34 H ASN 34 2.117 -3.333 -7.660 259 HA ASN 34 HA ASN 34 -0.219 -3.849 -9.321 260 HB2 ASN 34 2HB ASN 34 0.941 -5.056 -6.852 261 HB3 ASN 34 1HB ASN 34 -0.793 -5.215 -7.111 262 HD21 ASN 34 1HD2 ASN 34 -1.008 -7.288 -7.652 263 HD22 ASN 34 2HD2 ASN 34 -0.203 -8.059 -8.972 264 H THR 35 H THR 35 -1.623 -2.191 -9.318 265 HA THR 35 HA THR 35 -2.047 -0.516 -7.038 266 HB THR 35 HB THR 35 -3.817 0.519 -8.408 267 HG1 THR 35 1HG THR 35 -4.130 -0.310 -10.530 268 HG21 THR 35 3HG2 THR 35 -2.186 1.687 -9.325 269 HG22 THR 35 1HG2 THR 35 -2.096 0.483 -10.611 270 HG23 THR 35 2HG2 THR 35 -1.072 0.326 -9.183 271 H ASP 36 H ASP 36 -3.564 -3.349 -8.378 272 HA ASP 36 HA ASP 36 -6.031 -3.222 -7.039 273 HB2 ASP 36 2HB ASP 36 -4.586 -5.112 -8.653 274 HB3 ASP 36 1HB ASP 36 -5.288 -5.942 -7.270 275 H ASN 37 H ASN 37 -2.925 -4.651 -6.134 276 HA ASN 37 HA ASN 37 -3.954 -5.480 -3.548 277 HB2 ASN 37 2HB ASN 37 -1.134 -5.643 -4.632 278 HB3 ASN 37 1HB ASN 37 -1.753 -6.457 -3.198 279 HD21 ASN 37 1HD2 ASN 37 -0.525 -7.840 -5.227 280 HD22 ASN 37 2HD2 ASN 37 -1.687 -8.836 -6.029 281 H ALA 38 H ALA 38 -2.043 -2.914 -4.931 282 HA ALA 38 HA ALA 38 -0.726 -1.944 -2.684 283 HB1 ALA 38 1HB ALA 38 -0.198 -1.082 -4.850 284 HB2 ALA 38 2HB ALA 38 -0.768 0.258 -3.857 285 HB3 ALA 38 3HB ALA 38 -1.836 -0.464 -5.061 286 H ASP 39 H ASP 39 -3.944 -1.055 -3.921 287 HA ASP 39 HA ASP 39 -4.587 0.821 -1.957 288 HB2 ASP 39 2HB ASP 39 -5.824 0.250 -4.143 289 HB3 ASP 39 1HB ASP 39 -6.632 -1.002 -3.206 290 H LEU 40 H LEU 40 -4.156 0.264 0.125 291 HA LEU 40 HA LEU 40 -5.082 -2.269 1.193 292 HB2 LEU 40 2HB LEU 40 -3.671 0.046 2.521 293 HB3 LEU 40 1HB LEU 40 -4.029 -1.487 3.292 294 HG LEU 40 HG LEU 40 -2.555 -1.847 0.810 295 HD11 LEU 40 1HD1 LEU 40 -0.653 -0.666 1.157 296 HD12 LEU 40 2HD1 LEU 40 -0.844 -0.656 2.910 297 HD13 LEU 40 3HD1 LEU 40 -1.789 0.450 1.914 298 HD21 LEU 40 3HD2 LEU 40 -1.512 -3.494 1.994 299 HD22 LEU 40 1HD2 LEU 40 -2.986 -3.339 2.950 300 HD23 LEU 40 2HD2 LEU 40 -1.498 -2.563 3.492 301 H ASN 41 H ASN 41 -6.029 1.082 1.182 302 HA ASN 41 HA ASN 41 -8.065 0.594 3.223 303 HB2 ASN 41 2HB ASN 41 -8.417 3.010 3.205 304 HB3 ASN 41 1HB ASN 41 -6.708 2.639 3.418 305 HD21 ASN 41 1HD2 ASN 41 -7.564 5.116 2.596 306 HD22 ASN 41 2HD2 ASN 41 -7.077 5.377 0.959 307 H GLU 42 H GLU 42 -7.790 0.338 -0.086 308 HA GLU 42 HA GLU 42 -9.287 0.105 -1.780 309 HB2 GLU 42 2HB GLU 42 -11.026 -0.301 0.629 310 HB3 GLU 42 1HB GLU 42 -11.739 -0.263 -0.977 311 HG2 GLU 42 2HG GLU 42 -9.492 -1.993 -1.053 312 HG3 GLU 42 1HG GLU 42 -10.469 -2.417 0.352 313 H ASP 43 H ASP 43 -8.560 2.733 -1.014 314 HA ASP 43 HA ASP 43 -10.898 4.398 -0.977 315 HB2 ASP 43 2HB ASP 43 -9.226 6.250 -1.314 316 HB3 ASP 43 1HB ASP 43 -8.938 5.244 0.103 317 H GLY 44 H GLY 44 -9.117 2.808 -3.419 318 HA2 GLY 44 2HA GLY 44 -10.071 2.687 -5.629 319 HA3 GLY 44 1HA GLY 44 -10.578 4.359 -5.453 320 H ARG 45 H ARG 45 -7.700 4.673 -4.201 321 HA ARG 45 HA ARG 45 -6.070 4.465 -6.587 322 HB2 ARG 45 2HB ARG 45 -5.453 6.927 -6.415 323 HB3 ARG 45 1HB ARG 45 -7.031 6.561 -7.099 324 HG2 ARG 45 2HG ARG 45 -7.868 6.894 -4.660 325 HG3 ARG 45 1HG ARG 45 -6.345 7.764 -4.458 326 HD2 ARG 45 2HD ARG 45 -8.127 8.384 -6.777 327 HD3 ARG 45 1HD ARG 45 -8.496 9.047 -5.185 328 HE ARG 45 HE ARG 45 -5.885 9.675 -5.539 329 HH11 ARG 45 1HH1 ARG 45 -8.754 10.176 -7.461 330 HH12 ARG 45 2HH1 ARG 45 -8.169 11.640 -8.179 331 HH21 ARG 45 1HH2 ARG 45 -5.114 11.600 -6.483 332 HH22 ARG 45 2HH2 ARG 45 -6.102 12.447 -7.624 333 H VAL 46 H VAL 46 -3.838 4.700 -6.186 334 HA VAL 46 HA VAL 46 -3.093 4.108 -3.457 335 HB VAL 46 HB VAL 46 -1.270 4.417 -5.843 336 HG11 VAL 46 1HG1 VAL 46 0.159 2.853 -4.493 337 HG12 VAL 46 2HG1 VAL 46 -0.946 3.119 -3.145 338 HG13 VAL 46 3HG1 VAL 46 -0.029 4.469 -3.813 339 HG21 VAL 46 3HG2 VAL 46 -2.727 2.738 -6.537 340 HG22 VAL 46 1HG2 VAL 46 -2.914 2.094 -4.906 341 HG23 VAL 46 2HG2 VAL 46 -1.406 1.844 -5.786 342 H ASN 47 H ASN 47 -3.239 5.924 -2.221 343 HA ASN 47 HA ASN 47 -1.689 8.275 -3.082 344 HB2 ASN 47 2HB ASN 47 -3.063 9.416 -1.217 345 HB3 ASN 47 1HB ASN 47 -3.885 9.013 -2.719 346 HD21 ASN 47 1HD2 ASN 47 -5.903 8.597 -2.127 347 HD22 ASN 47 2HD2 ASN 47 -6.379 7.460 -0.918 348 H SER 48 H SER 48 -1.126 9.592 -0.885 349 HA SER 48 HA SER 48 1.054 8.301 0.243 350 HB2 SER 48 2HB SER 48 -0.500 10.752 0.876 351 HB3 SER 48 1HB SER 48 0.541 10.123 2.154 352 HG SER 48 HG SER 48 1.347 11.659 0.329 353 H THR 49 H THR 49 -2.300 8.249 1.182 354 HA THR 49 HA THR 49 -2.047 7.349 3.822 355 HB THR 49 HB THR 49 -4.270 6.315 2.121 356 HG1 THR 49 1HG THR 49 -3.757 9.040 2.660 357 HG21 THR 49 3HG2 THR 49 -4.383 7.809 4.723 358 HG22 THR 49 1HG2 THR 49 -4.223 6.056 4.612 359 HG23 THR 49 2HG2 THR 49 -5.654 6.854 3.959 360 H ASP 50 H ASP 50 -2.248 5.547 0.773 361 HA ASP 50 HA ASP 50 -2.249 2.968 1.873 362 HB2 ASP 50 2HB ASP 50 -1.162 3.913 -0.789 363 HB3 ASP 50 1HB ASP 50 -1.461 2.232 -0.359 364 H LEU 51 H LEU 51 0.410 5.083 0.880 365 HA LEU 51 HA LEU 51 2.522 3.294 1.246 366 HB2 LEU 51 2HB LEU 51 2.608 5.586 0.188 367 HB3 LEU 51 1HB LEU 51 2.623 6.254 1.809 368 HG LEU 51 HG LEU 51 4.704 4.655 2.101 369 HD11 LEU 51 1HD1 LEU 51 6.014 4.496 0.046 370 HD12 LEU 51 2HD1 LEU 51 4.667 5.174 -0.869 371 HD13 LEU 51 3HD1 LEU 51 4.500 3.603 -0.086 372 HD21 LEU 51 3HD2 LEU 51 4.568 7.177 2.208 373 HD22 LEU 51 1HD2 LEU 51 5.005 7.183 0.499 374 HD23 LEU 51 2HD2 LEU 51 6.115 6.507 1.691 375 H GLY 52 H GLY 52 0.778 5.308 3.543 376 HA2 GLY 52 2HA GLY 52 2.559 4.809 5.731 377 HA3 GLY 52 1HA GLY 52 0.953 5.513 5.835 378 H ILE 53 H ILE 53 -0.257 3.211 4.429 379 HA ILE 53 HA ILE 53 -0.705 1.576 6.752 380 HB ILE 53 HB ILE 53 -1.751 1.167 3.947 381 HG12 ILE 53 2HG1 ILE 53 -3.418 2.369 6.104 382 HG13 ILE 53 1HG1 ILE 53 -2.213 3.401 5.338 383 HG21 ILE 53 1HG2 ILE 53 -3.340 0.317 6.265 384 HG22 ILE 53 2HG2 ILE 53 -1.836 -0.574 6.029 385 HG23 ILE 53 3HG2 ILE 53 -3.032 -0.503 4.734 386 HD11 ILE 53 3HD1 ILE 53 -3.731 3.811 3.780 387 HD12 ILE 53 1HD1 ILE 53 -4.780 2.520 4.364 388 HD13 ILE 53 2HD1 ILE 53 -3.489 2.156 3.220 389 H LEU 54 H LEU 54 0.983 1.263 3.687 390 HA LEU 54 HA LEU 54 1.443 -1.518 3.792 391 HB2 LEU 54 2HB LEU 54 1.774 0.231 1.867 392 HB3 LEU 54 1HB LEU 54 3.395 0.358 2.523 393 HG LEU 54 HG LEU 54 3.273 -1.205 0.630 394 HD11 LEU 54 1HD1 LEU 54 4.666 -1.508 2.910 395 HD12 LEU 54 2HD1 LEU 54 4.817 -2.582 1.520 396 HD13 LEU 54 3HD1 LEU 54 3.788 -3.037 2.878 397 HD21 LEU 54 3HD2 LEU 54 0.889 -1.926 1.293 398 HD22 LEU 54 1HD2 LEU 54 1.696 -3.074 2.360 399 HD23 LEU 54 2HD2 LEU 54 1.979 -3.138 0.621 400 H LYS 55 H LYS 55 3.197 1.244 5.087 401 HA LYS 55 HA LYS 55 5.446 -0.318 5.952 402 HB2 LYS 55 2HB LYS 55 5.105 2.323 5.475 403 HB3 LYS 55 1HB LYS 55 4.937 2.305 7.225 404 HG2 LYS 55 2HG LYS 55 7.111 1.679 7.568 405 HG3 LYS 55 1HG LYS 55 7.243 0.878 6.001 406 HD2 LYS 55 2HD LYS 55 7.892 2.762 4.956 407 HD3 LYS 55 1HD LYS 55 6.754 3.768 5.855 408 HE2 LYS 55 2HE LYS 55 8.570 4.571 6.889 409 HE3 LYS 55 1HE LYS 55 8.543 3.057 7.794 410 HZ1 LYS 55 3HZ LYS 55 9.888 2.308 5.631 411 HZ2 LYS 55 1HZ LYS 55 10.638 2.920 7.020 412 HZ3 LYS 55 2HZ LYS 55 10.352 3.933 5.696 413 H ARG 56 H ARG 56 2.706 1.253 7.588 414 HA ARG 56 HA ARG 56 3.351 0.420 10.190 415 HB2 ARG 56 2HB ARG 56 0.835 1.327 8.844 416 HB3 ARG 56 1HB ARG 56 0.753 0.676 10.475 417 HG2 ARG 56 2HG ARG 56 1.918 2.435 11.384 418 HG3 ARG 56 1HG ARG 56 2.727 2.823 9.864 419 HD2 ARG 56 2HD ARG 56 0.945 4.018 9.063 420 HD3 ARG 56 1HD ARG 56 -0.231 3.100 10.003 421 HE ARG 56 HE ARG 56 1.489 4.678 11.651 422 HH11 ARG 56 1HH1 ARG 56 -1.363 4.788 9.643 423 HH12 ARG 56 2HH1 ARG 56 -2.041 6.154 10.463 424 HH21 ARG 56 1HH2 ARG 56 0.599 6.475 12.731 425 HH22 ARG 56 2HH2 ARG 56 -0.927 7.112 12.216 426 H TYR 57 H TYR 57 1.597 -1.164 7.594 427 HA TYR 57 HA TYR 57 0.479 -3.262 9.112 428 HB2 TYR 57 2HB TYR 57 -0.229 -2.647 6.804 429 HB3 TYR 57 1HB TYR 57 1.284 -3.312 6.195 430 HD1 TYR 57 1HD TYR 57 -1.405 -4.449 8.543 431 HD2 TYR 57 2HD TYR 57 1.059 -5.370 5.198 432 HE1 TYR 57 1HE TYR 57 -2.448 -6.670 8.392 433 HE2 TYR 57 2HE TYR 57 0.021 -7.593 5.038 434 HH TYR 57 HH TYR 57 -2.806 -8.431 6.760 435 H ILE 58 H ILE 58 3.452 -3.114 7.162 436 HA ILE 58 HA ILE 58 4.309 -5.738 7.818 437 HB ILE 58 HB ILE 58 6.027 -3.429 6.903 438 HG12 ILE 58 2HG1 ILE 58 4.796 -5.531 5.131 439 HG13 ILE 58 1HG1 ILE 58 3.962 -4.020 5.481 440 HG21 ILE 58 1HG2 ILE 58 7.293 -5.321 7.768 441 HG22 ILE 58 2HG2 ILE 58 7.489 -5.183 6.022 442 HG23 ILE 58 3HG2 ILE 58 6.418 -6.412 6.693 443 HD11 ILE 58 3HD1 ILE 58 6.750 -4.013 4.408 444 HD12 ILE 58 1HD1 ILE 58 5.523 -2.750 4.334 445 HD13 ILE 58 2HD1 ILE 58 5.360 -4.196 3.338 446 H LEU 59 H LEU 59 4.449 -2.743 9.505 447 HA LEU 59 HA LEU 59 6.646 -3.584 11.213 448 HB2 LEU 59 2HB LEU 59 4.951 -1.097 11.122 449 HB3 LEU 59 1HB LEU 59 6.147 -1.387 12.372 450 HG LEU 59 HG LEU 59 6.755 -1.228 9.419 451 HD11 LEU 59 1HD1 LEU 59 7.205 0.972 9.623 452 HD12 LEU 59 2HD1 LEU 59 7.755 0.817 11.292 453 HD13 LEU 59 3HD1 LEU 59 6.029 0.871 10.933 454 HD21 LEU 59 3HD2 LEU 59 8.328 -2.635 10.598 455 HD22 LEU 59 1HD2 LEU 59 8.543 -1.401 11.841 456 HD23 LEU 59 2HD2 LEU 59 9.092 -1.098 10.192 457 H LYS 60 H LYS 60 3.694 -4.692 11.089 458 HA LYS 60 HA LYS 60 2.202 -5.598 12.545 459 HB2 LYS 60 2HB LYS 60 4.537 -5.388 14.456 460 HB3 LYS 60 1HB LYS 60 3.096 -6.361 14.714 461 HG2 LYS 60 2HG LYS 60 4.365 -6.939 12.171 462 HG3 LYS 60 1HG LYS 60 5.451 -7.187 13.539 463 HD2 LYS 60 2HD LYS 60 3.422 -8.441 14.579 464 HD3 LYS 60 1HD LYS 60 2.852 -8.531 12.912 465 HE2 LYS 60 2HE LYS 60 4.892 -9.655 12.243 466 HE3 LYS 60 1HE LYS 60 5.545 -9.489 13.872 467 HZ1 LYS 60 3HZ LYS 60 2.970 -10.825 13.633 468 HZ2 LYS 60 1HZ LYS 60 4.279 -11.170 14.648 469 HZ3 LYS 60 2HZ LYS 60 4.307 -11.668 13.032 470 H GLU 61 H GLU 61 2.346 -2.683 12.310 471 HA GLU 61 HA GLU 61 1.658 -1.739 14.981 472 HB2 GLU 61 2HB GLU 61 1.911 -0.290 12.342 473 HB3 GLU 61 1HB GLU 61 1.485 0.487 13.861 474 HG2 GLU 61 2HG GLU 61 3.639 -0.224 14.805 475 HG3 GLU 61 1HG GLU 61 4.066 -0.936 13.249 476 H ILE 62 H ILE 62 0.166 -2.498 11.915 477 HA ILE 62 HA ILE 62 -2.467 -2.022 13.143 478 HB ILE 62 HB ILE 62 -3.284 -1.460 10.804 479 HG12 ILE 62 2HG1 ILE 62 -0.324 -1.011 10.363 480 HG13 ILE 62 1HG1 ILE 62 -1.296 -2.260 9.590 481 HG21 ILE 62 1HG2 ILE 62 -2.676 0.123 12.795 482 HG22 ILE 62 2HG2 ILE 62 -3.050 0.790 11.205 483 HG23 ILE 62 3HG2 ILE 62 -1.371 0.632 11.723 484 HD11 ILE 62 3HD1 ILE 62 -2.294 0.478 9.259 485 HD12 ILE 62 1HD1 ILE 62 -2.153 -0.835 8.090 486 HD13 ILE 62 2HD1 ILE 62 -0.740 0.139 8.498 487 H ASP 63 H ASP 63 -3.546 -3.859 13.301 488 HA ASP 63 HA ASP 63 -2.981 -6.004 11.371 489 HB2 ASP 63 2HB ASP 63 -3.948 -7.520 13.108 490 HB3 ASP 63 1HB ASP 63 -2.490 -6.682 13.626 491 H THR 64 H THR 64 -5.021 -3.627 11.415 492 HA THR 64 HA THR 64 -7.437 -5.233 10.938 493 HB THR 64 HB THR 64 -7.509 -2.250 11.064 494 HG1 THR 64 1HG THR 64 -6.827 -2.228 13.029 495 HG21 THR 64 3HG2 THR 64 -9.368 -4.431 11.967 496 HG22 THR 64 1HG2 THR 64 -9.598 -3.297 10.636 497 HG23 THR 64 2HG2 THR 64 -9.615 -2.717 12.302 498 H LEU 65 H LEU 65 -7.512 -5.824 8.858 499 HA LEU 65 HA LEU 65 -7.152 -3.720 6.835 500 HB2 LEU 65 2HB LEU 65 -5.563 -6.012 7.168 501 HB3 LEU 65 1HB LEU 65 -6.572 -6.337 5.774 502 HG LEU 65 HG LEU 65 -5.716 -4.439 4.603 503 HD11 LEU 65 1HD1 LEU 65 -3.764 -3.195 5.913 504 HD12 LEU 65 2HD1 LEU 65 -4.772 -3.632 7.292 505 HD13 LEU 65 3HD1 LEU 65 -5.444 -2.658 5.985 506 HD21 LEU 65 3HD2 LEU 65 -3.316 -5.643 5.950 507 HD22 LEU 65 1HD2 LEU 65 -3.476 -5.078 4.287 508 HD23 LEU 65 2HD2 LEU 65 -4.310 -6.544 4.803 509 HA PRO 66 HA PRO 66 -7.418 -3.526 4.687 510 HB2 PRO 66 2HB PRO 66 -9.197 -2.091 3.269 511 HB3 PRO 66 1HB PRO 66 -8.658 -3.693 2.751 512 HG2 PRO 66 2HG PRO 66 -11.187 -2.899 4.129 513 HG3 PRO 66 1HG PRO 66 -10.942 -4.061 2.815 514 HD2 PRO 66 2HD PRO 66 -11.235 -4.766 5.450 515 HD3 PRO 66 1HD PRO 66 -10.375 -5.748 4.249 516 H TYR 67 H TYR 67 -7.157 -1.168 4.730 517 HA TYR 67 HA TYR 67 -7.850 -0.095 7.272 518 HB2 TYR 67 2HB TYR 67 -5.730 0.434 6.112 519 HB3 TYR 67 1HB TYR 67 -6.637 1.304 4.880 520 HD1 TYR 67 1HD TYR 67 -5.991 1.262 8.550 521 HD2 TYR 67 2HD TYR 67 -7.059 3.579 5.146 522 HE1 TYR 67 1HE TYR 67 -5.853 3.308 9.907 523 HE2 TYR 67 2HE TYR 67 -6.924 5.632 6.494 524 HH TYR 67 HH TYR 67 -7.014 6.336 8.790 525 H LYS 68 H LYS 68 -9.943 0.356 7.635 526 HA LYS 68 HA LYS 68 -11.340 2.050 5.669 527 HB2 LYS 68 2HB LYS 68 -12.156 -0.380 6.524 528 HB3 LYS 68 1HB LYS 68 -12.922 0.636 7.734 529 HG2 LYS 68 2HG LYS 68 -14.377 1.542 6.256 530 HG3 LYS 68 1HG LYS 68 -13.238 1.455 4.911 531 HD2 LYS 68 2HD LYS 68 -13.616 -0.918 4.687 532 HD3 LYS 68 1HD LYS 68 -14.639 -0.925 6.125 533 HE2 LYS 68 2HE LYS 68 -15.864 0.971 4.621 534 HE3 LYS 68 1HE LYS 68 -15.249 -0.106 3.368 535 HZ1 LYS 68 3HZ LYS 68 -17.264 -0.610 5.429 536 HZ2 LYS 68 1HZ LYS 68 -16.287 -1.906 4.951 537 HZ3 LYS 68 2HZ LYS 68 -17.233 -1.093 3.809 538 H ASN 69 H ASN 69 -10.036 3.753 6.850 539 HA ASN 69 HA ASN 69 -11.741 4.923 8.899 540 HB2 ASN 69 2HB ASN 69 -8.955 3.993 9.352 541 HB3 ASN 69 1HB ASN 69 -9.403 5.546 10.049 542 HD21 ASN 69 1HD2 ASN 69 -10.210 2.133 9.937 543 HD22 ASN 69 2HD2 ASN 69 -11.000 2.078 11.473 Start of MODEL 20 1 H1 SER 1 1HT SER 1 0.046 -13.576 -9.877 2 H2 SER 1 2HT SER 1 -1.026 -12.317 -9.416 3 H3 SER 1 3HT SER 1 -1.648 -13.804 -10.007 4 HA SER 1 HA SER 1 -0.697 -14.938 -8.119 5 HB2 SER 1 2HB SER 1 0.104 -12.106 -7.445 6 HB3 SER 1 1HB SER 1 -0.005 -13.364 -6.214 7 HG SER 1 HG SER 1 2.008 -13.652 -6.830 8 H THR 2 H THR 2 -1.626 -14.422 -5.714 9 HA THR 2 HA THR 2 -4.462 -14.183 -6.119 10 HB THR 2 HB THR 2 -3.690 -15.853 -4.574 11 HG1 THR 2 1HG THR 2 -4.864 -15.227 -2.725 12 HG21 THR 2 3HG2 THR 2 -1.793 -13.949 -3.778 13 HG22 THR 2 1HG2 THR 2 -1.989 -15.601 -3.191 14 HG23 THR 2 2HG2 THR 2 -2.807 -14.269 -2.372 15 H LYS 3 H LYS 3 -5.732 -12.877 -4.414 16 HA LYS 3 HA LYS 3 -4.909 -10.123 -4.701 17 HB2 LYS 3 2HB LYS 3 -7.377 -11.515 -4.406 18 HB3 LYS 3 1HB LYS 3 -7.251 -10.358 -3.087 19 HG2 LYS 3 2HG LYS 3 -6.511 -8.777 -5.109 20 HG3 LYS 3 1HG LYS 3 -7.541 -9.907 -5.990 21 HD2 LYS 3 2HD LYS 3 -9.038 -8.260 -5.333 22 HD3 LYS 3 1HD LYS 3 -9.230 -9.480 -4.074 23 HE2 LYS 3 2HE LYS 3 -8.771 -7.921 -2.560 24 HE3 LYS 3 1HE LYS 3 -7.141 -7.808 -3.224 25 HZ1 LYS 3 3HZ LYS 3 -8.195 -6.225 -4.907 26 HZ2 LYS 3 1HZ LYS 3 -7.954 -5.652 -3.333 27 HZ3 LYS 3 2HZ LYS 3 -9.497 -6.135 -3.832 28 H LEU 4 H LEU 4 -3.081 -10.046 -3.337 29 HA LEU 4 HA LEU 4 -3.648 -10.287 -0.460 30 HB2 LEU 4 2HB LEU 4 -1.475 -11.172 -2.051 31 HB3 LEU 4 1HB LEU 4 -0.862 -9.908 -1.002 32 HG LEU 4 HG LEU 4 -2.335 -11.457 0.735 33 HD11 LEU 4 1HD1 LEU 4 -1.135 -13.745 0.141 34 HD12 LEU 4 2HD1 LEU 4 -1.335 -13.131 -1.499 35 HD13 LEU 4 3HD1 LEU 4 -2.744 -13.347 -0.462 36 HD21 LEU 4 3HD2 LEU 4 0.574 -11.314 0.038 37 HD22 LEU 4 1HD2 LEU 4 0.002 -12.391 1.313 38 HD23 LEU 4 2HD2 LEU 4 -0.273 -10.653 1.437 39 H TYR 5 H TYR 5 -4.084 -8.424 0.506 40 HA TYR 5 HA TYR 5 -3.653 -5.891 -0.613 41 HB2 TYR 5 2HB TYR 5 -4.123 -6.670 2.273 42 HB3 TYR 5 1HB TYR 5 -4.212 -5.026 1.652 43 HD1 TYR 5 1HD TYR 5 -5.823 -4.809 -0.492 44 HD2 TYR 5 2HD TYR 5 -6.113 -7.801 2.518 45 HE1 TYR 5 1HE TYR 5 -8.190 -5.149 -1.067 46 HE2 TYR 5 2HE TYR 5 -8.480 -8.151 1.951 47 HH TYR 5 HH TYR 5 -9.899 -6.911 -0.866 48 H GLY 6 H GLY 6 -1.644 -5.237 -1.127 49 HA2 GLY 6 2HA GLY 6 0.182 -3.961 0.048 50 HA3 GLY 6 1HA GLY 6 0.432 -5.437 0.967 51 H ASP 7 H ASP 7 -0.124 -7.055 -1.500 52 HA ASP 7 HA ASP 7 2.560 -7.340 -2.354 53 HB2 ASP 7 2HB ASP 7 0.939 -9.204 -2.313 54 HB3 ASP 7 1HB ASP 7 0.037 -8.435 -3.615 55 H VAL 8 H VAL 8 2.882 -5.051 -2.978 56 HA VAL 8 HA VAL 8 1.602 -4.015 -5.309 57 HB VAL 8 HB VAL 8 3.472 -2.312 -5.241 58 HG11 VAL 8 1HG1 VAL 8 1.341 -2.778 -3.317 59 HG12 VAL 8 2HG1 VAL 8 1.800 -1.301 -4.164 60 HG13 VAL 8 3HG1 VAL 8 2.629 -1.757 -2.676 61 HG21 VAL 8 3HG2 VAL 8 4.808 -4.176 -3.789 62 HG22 VAL 8 1HG2 VAL 8 4.197 -3.124 -2.513 63 HG23 VAL 8 2HG2 VAL 8 5.196 -2.456 -3.803 64 H ASN 9 H ASN 9 4.481 -5.898 -4.711 65 HA ASN 9 HA ASN 9 5.499 -5.507 -7.394 66 HB2 ASN 9 2HB ASN 9 7.219 -7.217 -6.647 67 HB3 ASN 9 1HB ASN 9 7.180 -5.714 -5.731 68 HD21 ASN 9 1HD2 ASN 9 8.364 -7.174 -4.223 69 HD22 ASN 9 2HD2 ASN 9 7.422 -8.071 -3.086 70 H ASP 10 H ASP 10 3.157 -7.461 -6.003 71 HA ASP 10 HA ASP 10 1.973 -9.255 -6.740 72 HB2 ASP 10 2HB ASP 10 2.457 -7.792 -8.963 73 HB3 ASP 10 1HB ASP 10 3.238 -9.304 -9.416 74 H ASP 11 H ASP 11 4.023 -10.005 -5.249 75 HA ASP 11 HA ASP 11 5.372 -12.174 -6.710 76 HB2 ASP 11 2HB ASP 11 6.958 -12.212 -4.796 77 HB3 ASP 11 1HB ASP 11 6.934 -10.667 -5.639 78 H GLY 12 H GLY 12 2.962 -11.515 -4.382 79 HA2 GLY 12 2HA GLY 12 1.438 -13.248 -3.736 80 HA3 GLY 12 1HA GLY 12 2.764 -14.395 -3.816 81 H LYS 13 H LYS 13 4.237 -11.976 -2.345 82 HA LYS 13 HA LYS 13 3.157 -12.512 0.328 83 HB2 LYS 13 2HB LYS 13 5.014 -14.074 -0.013 84 HB3 LYS 13 1HB LYS 13 6.073 -12.737 -0.438 85 HG2 LYS 13 2HG LYS 13 6.062 -11.895 1.763 86 HG3 LYS 13 1HG LYS 13 4.708 -12.926 2.229 87 HD2 LYS 13 2HD LYS 13 6.883 -14.522 1.226 88 HD3 LYS 13 1HD LYS 13 7.447 -13.462 2.517 89 HE2 LYS 13 2HE LYS 13 4.881 -14.785 3.045 90 HE3 LYS 13 1HE LYS 13 6.257 -15.879 2.896 91 HZ1 LYS 13 3HZ LYS 13 6.480 -15.384 5.067 92 HZ2 LYS 13 1HZ LYS 13 5.670 -13.903 4.946 93 HZ3 LYS 13 2HZ LYS 13 7.292 -14.022 4.480 94 H VAL 14 H VAL 14 3.471 -10.876 1.838 95 HA VAL 14 HA VAL 14 4.113 -8.277 0.676 96 HB VAL 14 HB VAL 14 3.002 -8.842 3.425 97 HG11 VAL 14 1HG1 VAL 14 3.943 -6.641 3.243 98 HG12 VAL 14 2HG1 VAL 14 2.185 -6.503 3.219 99 HG13 VAL 14 3HG1 VAL 14 3.101 -6.359 1.719 100 HG21 VAL 14 3HG2 VAL 14 1.707 -8.836 0.776 101 HG22 VAL 14 1HG2 VAL 14 0.882 -7.924 2.040 102 HG23 VAL 14 2HG2 VAL 14 1.231 -9.637 2.273 103 H ASN 15 H ASN 15 6.292 -8.020 0.664 104 HA ASN 15 HA ASN 15 7.713 -8.382 3.218 105 HB2 ASN 15 2HB ASN 15 8.391 -9.635 1.002 106 HB3 ASN 15 1HB ASN 15 9.158 -8.099 0.613 107 HD21 ASN 15 1HD2 ASN 15 10.490 -10.560 1.000 108 HD22 ASN 15 2HD2 ASN 15 11.526 -10.389 2.371 109 H SER 16 H SER 16 9.711 -6.873 3.336 110 HA SER 16 HA SER 16 8.806 -4.239 3.560 111 HB2 SER 16 2HB SER 16 11.567 -5.448 3.546 112 HB3 SER 16 1HB SER 16 11.319 -3.713 3.740 113 HG SER 16 HG SER 16 10.130 -5.702 5.377 114 H THR 17 H THR 17 10.358 -5.918 0.923 115 HA THR 17 HA THR 17 11.237 -3.744 -0.595 116 HB THR 17 HB THR 17 11.834 -6.076 -1.091 117 HG1 THR 17 1HG THR 17 11.917 -4.485 -2.765 118 HG21 THR 17 3HG2 THR 17 10.424 -7.710 -1.685 119 HG22 THR 17 1HG2 THR 17 9.375 -6.623 -2.594 120 HG23 THR 17 2HG2 THR 17 9.234 -6.722 -0.839 121 H ASP 18 H ASP 18 8.052 -5.111 -0.174 122 HA ASP 18 HA ASP 18 6.797 -3.903 -2.395 123 HB2 ASP 18 2HB ASP 18 5.786 -4.993 0.220 124 HB3 ASP 18 1HB ASP 18 4.695 -4.212 -0.919 125 H ALA 19 H ALA 19 7.546 -2.772 0.831 126 HA ALA 19 HA ALA 19 5.876 -0.477 0.796 127 HB1 ALA 19 1HB ALA 19 8.343 -0.340 2.395 128 HB2 ALA 19 2HB ALA 19 7.300 -1.724 2.719 129 HB3 ALA 19 3HB ALA 19 6.665 -0.087 2.870 130 H VAL 20 H VAL 20 9.376 -0.871 0.248 131 HA VAL 20 HA VAL 20 9.920 1.798 -0.390 132 HB VAL 20 HB VAL 20 11.683 0.162 0.109 133 HG11 VAL 20 1HG1 VAL 20 10.881 -1.014 -2.543 134 HG12 VAL 20 2HG1 VAL 20 10.909 -1.805 -0.966 135 HG13 VAL 20 3HG1 VAL 20 12.422 -1.358 -1.756 136 HG21 VAL 20 3HG2 VAL 20 11.928 1.465 -2.601 137 HG22 VAL 20 1HG2 VAL 20 13.278 0.850 -1.647 138 HG23 VAL 20 2HG2 VAL 20 12.311 2.195 -1.041 139 H ALA 21 H ALA 21 8.660 -0.828 -2.330 140 HA ALA 21 HA ALA 21 9.055 0.372 -4.868 141 HB1 ALA 21 1HB ALA 21 7.125 -1.260 -5.485 142 HB2 ALA 21 2HB ALA 21 7.357 -1.864 -3.844 143 HB3 ALA 21 3HB ALA 21 8.692 -1.906 -4.995 144 H LEU 22 H LEU 22 6.558 0.624 -2.437 145 HA LEU 22 HA LEU 22 4.623 1.894 -4.105 146 HB2 LEU 22 2HB LEU 22 4.421 0.696 -1.751 147 HB3 LEU 22 1HB LEU 22 4.663 2.328 -1.158 148 HG LEU 22 HG LEU 22 2.687 3.098 -2.339 149 HD11 LEU 22 1HD1 LEU 22 2.336 1.978 -4.270 150 HD12 LEU 22 2HD1 LEU 22 1.268 1.018 -3.247 151 HD13 LEU 22 3HD1 LEU 22 2.894 0.441 -3.610 152 HD21 LEU 22 3HD2 LEU 22 1.102 1.174 -1.248 153 HD22 LEU 22 1HD2 LEU 22 1.827 2.510 -0.354 154 HD23 LEU 22 2HD2 LEU 22 2.610 0.931 -0.367 155 H LYS 23 H LYS 23 6.995 3.074 -1.744 156 HA LYS 23 HA LYS 23 6.336 5.781 -1.828 157 HB2 LYS 23 2HB LYS 23 7.974 4.540 -0.279 158 HB3 LYS 23 1HB LYS 23 9.165 4.798 -1.545 159 HG2 LYS 23 2HG LYS 23 8.647 7.254 -1.381 160 HG3 LYS 23 1HG LYS 23 7.705 6.875 0.062 161 HD2 LYS 23 2HD LYS 23 10.504 5.873 -0.125 162 HD3 LYS 23 1HD LYS 23 10.240 7.581 0.229 163 HE2 LYS 23 2HE LYS 23 8.529 5.847 1.810 164 HE3 LYS 23 1HE LYS 23 10.240 5.496 2.052 165 HZ1 LYS 23 3HZ LYS 23 10.036 7.156 3.543 166 HZ2 LYS 23 1HZ LYS 23 8.712 7.867 2.765 167 HZ3 LYS 23 2HZ LYS 23 10.278 8.141 2.190 168 H ARG 24 H ARG 24 8.280 3.836 -4.004 169 HA ARG 24 HA ARG 24 9.402 6.015 -5.451 170 HB2 ARG 24 2HB ARG 24 9.042 3.101 -6.157 171 HB3 ARG 24 1HB ARG 24 9.902 4.250 -7.173 172 HG2 ARG 24 2HG ARG 24 11.181 4.656 -4.848 173 HG3 ARG 24 1HG ARG 24 10.720 2.964 -4.653 174 HD2 ARG 24 2HD ARG 24 11.640 2.993 -7.217 175 HD3 ARG 24 1HD ARG 24 12.680 4.194 -6.454 176 HE ARG 24 HE ARG 24 12.453 1.749 -4.962 177 HH11 ARG 24 1HH1 ARG 24 14.164 3.384 -7.527 178 HH12 ARG 24 2HH1 ARG 24 15.582 2.403 -7.377 179 HH21 ARG 24 1HH2 ARG 24 14.318 0.457 -4.762 180 HH22 ARG 24 2HH2 ARG 24 15.670 0.740 -5.809 181 H TYR 25 H TYR 25 6.490 4.076 -5.784 182 HA TYR 25 HA TYR 25 5.765 5.044 -8.356 183 HB2 TYR 25 2HB TYR 25 4.899 2.932 -7.351 184 HB3 TYR 25 1HB TYR 25 3.963 3.897 -6.215 185 HD1 TYR 25 2HD TYR 25 4.533 3.908 -9.916 186 HD2 TYR 25 1HD TYR 25 1.724 4.003 -6.722 187 HE1 TYR 25 2HE TYR 25 2.695 4.029 -11.544 188 HE2 TYR 25 1HE TYR 25 -0.122 4.124 -8.342 189 HH TYR 25 HH TYR 25 0.033 3.297 -11.373 190 H VAL 26 H VAL 26 4.829 5.953 -5.058 191 HA VAL 26 HA VAL 26 2.987 7.964 -5.833 192 HB VAL 26 HB VAL 26 4.505 7.782 -3.228 193 HG11 VAL 26 1HG1 VAL 26 1.857 9.072 -3.883 194 HG12 VAL 26 2HG1 VAL 26 3.378 9.928 -3.622 195 HG13 VAL 26 3HG1 VAL 26 2.635 9.027 -2.300 196 HG21 VAL 26 3HG2 VAL 26 3.334 5.678 -3.788 197 HG22 VAL 26 1HG2 VAL 26 1.827 6.582 -3.927 198 HG23 VAL 26 2HG2 VAL 26 2.655 6.484 -2.373 199 H LEU 27 H LEU 27 6.430 7.885 -5.613 200 HA LEU 27 HA LEU 27 6.658 10.787 -5.549 201 HB2 LEU 27 2HB LEU 27 8.192 9.223 -4.277 202 HB3 LEU 27 1HB LEU 27 8.882 8.775 -5.826 203 HG LEU 27 HG LEU 27 8.869 11.643 -5.558 204 HD11 LEU 27 1HD1 LEU 27 9.864 12.071 -3.582 205 HD12 LEU 27 2HD1 LEU 27 10.727 10.532 -3.559 206 HD13 LEU 27 3HD1 LEU 27 9.029 10.598 -3.087 207 HD21 LEU 27 3HD2 LEU 27 10.279 10.306 -7.076 208 HD22 LEU 27 1HD2 LEU 27 11.140 9.662 -5.678 209 HD23 LEU 27 2HD2 LEU 27 11.223 11.384 -6.049 210 H ARG 28 H ARG 28 5.646 8.990 -7.888 211 HA ARG 28 HA ARG 28 5.714 9.008 -10.161 212 HB2 ARG 28 2HB ARG 28 6.972 11.699 -9.613 213 HB3 ARG 28 1HB ARG 28 6.481 11.156 -11.211 214 HG2 ARG 28 2HG ARG 28 4.161 10.852 -10.249 215 HG3 ARG 28 1HG ARG 28 4.742 11.731 -8.833 216 HD2 ARG 28 2HD ARG 28 5.207 13.672 -10.139 217 HD3 ARG 28 1HD ARG 28 4.921 12.799 -11.643 218 HE ARG 28 HE ARG 28 2.694 13.216 -11.397 219 HH11 ARG 28 1HH1 ARG 28 4.229 13.586 -8.284 220 HH12 ARG 28 2HH1 ARG 28 2.795 14.165 -7.506 221 HH21 ARG 28 1HH2 ARG 28 0.807 13.977 -10.375 222 HH22 ARG 28 2HH2 ARG 28 0.851 14.387 -8.692 223 H SER 29 H SER 29 7.846 7.666 -8.847 224 HA SER 29 HA SER 29 10.362 8.293 -9.984 225 HB2 SER 29 2HB SER 29 10.171 6.920 -7.966 226 HB3 SER 29 1HB SER 29 9.336 5.666 -8.882 227 HG SER 29 HG SER 29 11.247 4.922 -9.295 228 H GLY 30 H GLY 30 7.634 6.408 -11.076 229 HA2 GLY 30 2HA GLY 30 7.233 5.995 -13.381 230 HA3 GLY 30 1HA GLY 30 8.964 6.103 -13.672 231 H ILE 31 H ILE 31 7.467 4.202 -11.121 232 HA ILE 31 HA ILE 31 8.421 1.769 -12.486 233 HB ILE 31 HB ILE 31 9.633 2.255 -10.400 234 HG12 ILE 31 2HG1 ILE 31 7.807 -0.145 -10.142 235 HG13 ILE 31 1HG1 ILE 31 9.251 -0.083 -11.149 236 HG21 ILE 31 1HG2 ILE 31 7.653 3.399 -9.318 237 HG22 ILE 31 2HG2 ILE 31 8.602 2.335 -8.280 238 HG23 ILE 31 3HG2 ILE 31 7.055 1.787 -8.927 239 HD11 ILE 31 3HD1 ILE 31 9.658 0.631 -8.331 240 HD12 ILE 31 1HD1 ILE 31 10.630 -0.373 -9.405 241 HD13 ILE 31 2HD1 ILE 31 9.191 -1.042 -8.636 242 H SER 32 H SER 32 6.850 0.529 -13.242 243 HA SER 32 HA SER 32 4.121 0.874 -12.493 244 HB2 SER 32 2HB SER 32 5.557 -1.097 -14.264 245 HB3 SER 32 1HB SER 32 3.828 -1.226 -13.946 246 HG SER 32 HG SER 32 5.027 1.153 -14.896 247 H ILE 33 H ILE 33 3.117 0.031 -10.800 248 HA ILE 33 HA ILE 33 4.099 -2.519 -9.699 249 HB ILE 33 HB ILE 33 3.624 -1.760 -7.448 250 HG12 ILE 33 2HG1 ILE 33 2.932 0.912 -8.693 251 HG13 ILE 33 1HG1 ILE 33 1.766 -0.221 -8.017 252 HG21 ILE 33 1HG2 ILE 33 5.539 -0.344 -9.177 253 HG22 ILE 33 2HG2 ILE 33 5.808 -1.276 -7.704 254 HG23 ILE 33 3HG2 ILE 33 5.242 0.391 -7.602 255 HD11 ILE 33 3HD1 ILE 33 2.064 1.330 -6.329 256 HD12 ILE 33 1HD1 ILE 33 3.802 1.449 -6.607 257 HD13 ILE 33 2HD1 ILE 33 3.127 0.006 -5.850 258 H ASN 34 H ASN 34 2.338 -3.293 -7.987 259 HA ASN 34 HA ASN 34 -0.105 -3.593 -9.529 260 HB2 ASN 34 2HB ASN 34 1.353 -5.311 -7.923 261 HB3 ASN 34 1HB ASN 34 -0.036 -4.908 -6.917 262 HD21 ASN 34 1HD2 ASN 34 -1.810 -6.048 -7.209 263 HD22 ASN 34 2HD2 ASN 34 -2.182 -7.007 -8.597 264 H THR 35 H THR 35 -1.539 -1.994 -9.310 265 HA THR 35 HA THR 35 -1.795 -0.490 -6.870 266 HB THR 35 HB THR 35 -3.576 0.720 -8.072 267 HG1 THR 35 1HG THR 35 -3.058 -1.057 -10.216 268 HG21 THR 35 3HG2 THR 35 -0.865 0.558 -8.925 269 HG22 THR 35 1HG2 THR 35 -1.968 1.933 -8.969 270 HG23 THR 35 2HG2 THR 35 -1.903 0.812 -10.329 271 H ASP 36 H ASP 36 -3.434 -3.141 -8.423 272 HA ASP 36 HA ASP 36 -5.866 -3.096 -7.041 273 HB2 ASP 36 2HB ASP 36 -4.402 -4.942 -8.724 274 HB3 ASP 36 1HB ASP 36 -5.222 -5.796 -7.424 275 H ASN 37 H ASN 37 -2.767 -4.594 -6.241 276 HA ASN 37 HA ASN 37 -3.769 -5.595 -3.713 277 HB2 ASN 37 2HB ASN 37 -1.006 -5.650 -4.942 278 HB3 ASN 37 1HB ASN 37 -1.432 -6.413 -3.414 279 HD21 ASN 37 1HD2 ASN 37 -0.357 -7.853 -5.483 280 HD22 ASN 37 2HD2 ASN 37 -1.546 -8.937 -6.111 281 H ALA 38 H ALA 38 -1.854 -2.933 -4.921 282 HA ALA 38 HA ALA 38 -0.609 -2.073 -2.589 283 HB1 ALA 38 1HB ALA 38 -0.526 0.143 -3.643 284 HB2 ALA 38 2HB ALA 38 -1.685 -0.399 -4.855 285 HB3 ALA 38 3HB ALA 38 -0.087 -1.140 -4.770 286 H ASP 39 H ASP 39 -3.882 -1.452 -3.765 287 HA ASP 39 HA ASP 39 -4.633 0.482 -1.891 288 HB2 ASP 39 2HB ASP 39 -5.868 -0.367 -4.008 289 HB3 ASP 39 1HB ASP 39 -6.557 -1.578 -2.932 290 H LEU 40 H LEU 40 -4.085 0.085 0.198 291 HA LEU 40 HA LEU 40 -4.684 -2.458 1.439 292 HB2 LEU 40 2HB LEU 40 -3.025 -0.160 2.016 293 HB3 LEU 40 1HB LEU 40 -3.961 -0.620 3.425 294 HG LEU 40 HG LEU 40 -1.691 -1.653 3.304 295 HD11 LEU 40 1HD1 LEU 40 -2.417 -3.451 4.442 296 HD12 LEU 40 2HD1 LEU 40 -3.506 -3.962 3.152 297 HD13 LEU 40 3HD1 LEU 40 -3.993 -2.679 4.259 298 HD21 LEU 40 3HD2 LEU 40 -2.797 -3.447 1.173 299 HD22 LEU 40 1HD2 LEU 40 -1.127 -3.252 1.707 300 HD23 LEU 40 2HD2 LEU 40 -1.905 -1.981 0.763 301 H ASN 41 H ASN 41 -6.108 0.700 1.201 302 HA ASN 41 HA ASN 41 -8.052 0.029 3.294 303 HB2 ASN 41 2HB ASN 41 -8.627 2.377 3.341 304 HB3 ASN 41 1HB ASN 41 -6.877 2.213 3.452 305 HD21 ASN 41 1HD2 ASN 41 -7.521 4.591 2.807 306 HD22 ASN 41 2HD2 ASN 41 -7.375 4.921 1.119 307 H GLU 42 H GLU 42 -7.752 -0.305 0.029 308 HA GLU 42 HA GLU 42 -9.210 -0.708 -1.667 309 HB2 GLU 42 2HB GLU 42 -11.333 -0.848 0.476 310 HB3 GLU 42 1HB GLU 42 -11.383 -1.583 -1.120 311 HG2 GLU 42 2HG GLU 42 -9.084 -2.618 0.002 312 HG3 GLU 42 1HG GLU 42 -10.225 -2.565 1.345 313 H ASP 43 H ASP 43 -8.670 2.005 -0.954 314 HA ASP 43 HA ASP 43 -11.132 3.486 -1.086 315 HB2 ASP 43 2HB ASP 43 -9.669 5.465 -1.237 316 HB3 ASP 43 1HB ASP 43 -9.216 4.416 0.103 317 H GLY 44 H GLY 44 -9.075 2.000 -3.368 318 HA2 GLY 44 2HA GLY 44 -9.671 1.754 -5.644 319 HA3 GLY 44 1HA GLY 44 -10.610 3.236 -5.532 320 H ARG 45 H ARG 45 -7.486 3.399 -4.146 321 HA ARG 45 HA ARG 45 -6.023 4.073 -6.491 322 HB2 ARG 45 2HB ARG 45 -5.716 6.517 -5.792 323 HB3 ARG 45 1HB ARG 45 -7.219 6.092 -6.597 324 HG2 ARG 45 2HG ARG 45 -7.323 5.891 -3.680 325 HG3 ARG 45 1HG ARG 45 -7.023 7.518 -4.290 326 HD2 ARG 45 2HD ARG 45 -8.996 6.870 -5.932 327 HD3 ARG 45 1HD ARG 45 -9.405 5.770 -4.615 328 HE ARG 45 HE ARG 45 -9.029 8.172 -3.387 329 HH11 ARG 45 1HH1 ARG 45 -11.042 7.063 -6.014 330 HH12 ARG 45 2HH1 ARG 45 -12.302 8.208 -5.699 331 HH21 ARG 45 1HH2 ARG 45 -10.686 9.679 -2.970 332 HH22 ARG 45 2HH2 ARG 45 -12.100 9.693 -3.971 333 H VAL 46 H VAL 46 -3.848 4.926 -5.963 334 HA VAL 46 HA VAL 46 -3.022 4.040 -3.275 335 HB VAL 46 HB VAL 46 -1.283 4.142 -5.741 336 HG11 VAL 46 1HG1 VAL 46 -0.911 2.960 -2.995 337 HG12 VAL 46 2HG1 VAL 46 0.018 4.258 -3.744 338 HG13 VAL 46 3HG1 VAL 46 0.144 2.612 -4.365 339 HG21 VAL 46 3HG2 VAL 46 -1.519 1.566 -5.483 340 HG22 VAL 46 1HG2 VAL 46 -2.778 2.475 -6.320 341 HG23 VAL 46 2HG2 VAL 46 -3.020 1.967 -4.648 342 H ASN 47 H ASN 47 -3.062 5.941 -2.156 343 HA ASN 47 HA ASN 47 -1.427 8.153 -3.212 344 HB2 ASN 47 2HB ASN 47 -3.286 8.585 -0.919 345 HB3 ASN 47 1HB ASN 47 -2.823 9.687 -2.212 346 HD21 ASN 47 1HD2 ASN 47 -4.962 7.148 -1.232 347 HD22 ASN 47 2HD2 ASN 47 -6.068 7.287 -2.551 348 H SER 48 H SER 48 -0.989 9.583 -0.929 349 HA SER 48 HA SER 48 1.215 8.276 0.214 350 HB2 SER 48 2HB SER 48 1.061 10.709 0.170 351 HB3 SER 48 1HB SER 48 -0.350 10.665 1.228 352 HG SER 48 HG SER 48 1.031 10.732 2.798 353 H THR 49 H THR 49 -2.149 8.343 1.078 354 HA THR 49 HA THR 49 -1.987 7.561 3.763 355 HB THR 49 HB THR 49 -4.118 6.938 1.709 356 HG1 THR 49 1HG THR 49 -3.687 9.183 2.123 357 HG21 THR 49 3HG2 THR 49 -3.918 6.123 4.447 358 HG22 THR 49 1HG2 THR 49 -5.167 5.764 3.255 359 HG23 THR 49 2HG2 THR 49 -5.273 7.229 4.231 360 H ASP 50 H ASP 50 -2.293 5.596 0.812 361 HA ASP 50 HA ASP 50 -2.341 3.087 2.036 362 HB2 ASP 50 2HB ASP 50 -1.400 3.986 -0.684 363 HB3 ASP 50 1HB ASP 50 -1.384 2.292 -0.202 364 H LEU 51 H LEU 51 0.383 5.080 0.983 365 HA LEU 51 HA LEU 51 2.450 3.257 1.382 366 HB2 LEU 51 2HB LEU 51 2.706 5.448 0.281 367 HB3 LEU 51 1HB LEU 51 2.501 6.243 1.830 368 HG LEU 51 HG LEU 51 4.569 4.740 2.503 369 HD11 LEU 51 1HD1 LEU 51 5.159 3.486 0.714 370 HD12 LEU 51 2HD1 LEU 51 6.052 4.947 0.289 371 HD13 LEU 51 3HD1 LEU 51 4.482 4.626 -0.449 372 HD21 LEU 51 3HD2 LEU 51 4.771 7.246 0.837 373 HD22 LEU 51 1HD2 LEU 51 6.036 6.606 1.886 374 HD23 LEU 51 2HD2 LEU 51 4.515 7.169 2.580 375 H GLY 52 H GLY 52 0.669 5.215 3.678 376 HA2 GLY 52 2HA GLY 52 2.469 4.634 5.864 377 HA3 GLY 52 1HA GLY 52 0.940 5.494 5.969 378 H ILE 53 H ILE 53 -0.632 3.446 4.696 379 HA ILE 53 HA ILE 53 -1.263 1.878 6.967 380 HB ILE 53 HB ILE 53 -2.143 1.404 4.117 381 HG12 ILE 53 2HG1 ILE 53 -3.819 2.859 6.115 382 HG13 ILE 53 1HG1 ILE 53 -2.515 3.739 5.325 383 HG21 ILE 53 1HG2 ILE 53 -2.718 -0.491 5.368 384 HG22 ILE 53 2HG2 ILE 53 -4.183 0.491 5.350 385 HG23 ILE 53 3HG2 ILE 53 -3.156 0.467 6.782 386 HD11 ILE 53 3HD1 ILE 53 -5.031 3.519 4.365 387 HD12 ILE 53 1HD1 ILE 53 -4.225 2.202 3.512 388 HD13 ILE 53 2HD1 ILE 53 -3.607 3.849 3.378 389 H LEU 54 H LEU 54 0.489 1.203 3.975 390 HA LEU 54 HA LEU 54 0.789 -1.586 4.455 391 HB2 LEU 54 2HB LEU 54 1.621 0.348 2.457 392 HB3 LEU 54 1HB LEU 54 2.901 -0.796 2.814 393 HG LEU 54 HG LEU 54 0.353 -2.138 2.444 394 HD11 LEU 54 1HD1 LEU 54 0.046 -1.714 0.102 395 HD12 LEU 54 2HD1 LEU 54 1.419 -0.609 0.078 396 HD13 LEU 54 3HD1 LEU 54 -0.039 -0.183 0.971 397 HD21 LEU 54 3HD2 LEU 54 3.168 -2.351 1.557 398 HD22 LEU 54 1HD2 LEU 54 1.945 -3.107 0.535 399 HD23 LEU 54 2HD2 LEU 54 2.092 -3.577 2.229 400 H LYS 55 H LYS 55 2.730 1.263 5.169 401 HA LYS 55 HA LYS 55 5.074 -0.045 5.993 402 HB2 LYS 55 2HB LYS 55 3.911 2.651 6.284 403 HB3 LYS 55 1HB LYS 55 5.064 2.200 7.533 404 HG2 LYS 55 2HG LYS 55 6.374 1.427 5.275 405 HG3 LYS 55 1HG LYS 55 5.495 2.850 4.715 406 HD2 LYS 55 2HD LYS 55 6.434 3.789 7.050 407 HD3 LYS 55 1HD LYS 55 7.703 2.624 6.668 408 HE2 LYS 55 2HE LYS 55 8.271 4.814 5.788 409 HE3 LYS 55 1HE LYS 55 7.995 3.674 4.473 410 HZ1 LYS 55 3HZ LYS 55 6.321 4.893 3.702 411 HZ2 LYS 55 1HZ LYS 55 6.837 6.125 4.740 412 HZ3 LYS 55 2HZ LYS 55 5.612 5.066 5.227 413 H ARG 56 H ARG 56 2.150 0.867 7.755 414 HA ARG 56 HA ARG 56 3.094 0.122 10.322 415 HB2 ARG 56 2HB ARG 56 0.296 0.426 9.224 416 HB3 ARG 56 1HB ARG 56 0.647 0.109 10.917 417 HG2 ARG 56 2HG ARG 56 1.960 2.207 10.991 418 HG3 ARG 56 1HG ARG 56 1.458 2.535 9.332 419 HD2 ARG 56 2HD ARG 56 -0.637 3.114 9.942 420 HD3 ARG 56 1HD ARG 56 -0.713 1.898 11.215 421 HE ARG 56 HE ARG 56 1.051 3.776 12.139 422 HH11 ARG 56 1HH1 ARG 56 -2.267 3.810 11.057 423 HH12 ARG 56 2HH1 ARG 56 -2.718 5.132 12.079 424 HH21 ARG 56 1HH2 ARG 56 0.459 5.517 13.484 425 HH22 ARG 56 2HH2 ARG 56 -1.171 6.103 13.456 426 H TYR 57 H TYR 57 1.465 -1.610 7.739 427 HA TYR 57 HA TYR 57 0.815 -3.931 9.224 428 HB2 TYR 57 2HB TYR 57 -0.136 -3.247 6.973 429 HB3 TYR 57 1HB TYR 57 1.367 -3.821 6.257 430 HD1 TYR 57 2HD TYR 57 -1.391 -4.977 8.492 431 HD2 TYR 57 1HD TYR 57 1.508 -6.025 5.560 432 HE1 TYR 57 2HE TYR 57 -2.310 -7.256 8.407 433 HE2 TYR 57 1HE TYR 57 0.596 -8.307 5.465 434 HH TYR 57 HH TYR 57 -1.004 -9.736 7.553 435 H ILE 58 H ILE 58 3.654 -2.955 7.387 436 HA ILE 58 HA ILE 58 4.948 -5.519 7.714 437 HB ILE 58 HB ILE 58 6.179 -2.943 6.737 438 HG12 ILE 58 2HG1 ILE 58 5.063 -5.133 4.993 439 HG13 ILE 58 1HG1 ILE 58 4.080 -3.762 5.498 440 HG21 ILE 58 1HG2 ILE 58 6.968 -5.837 6.470 441 HG22 ILE 58 2HG2 ILE 58 7.845 -4.553 7.302 442 HG23 ILE 58 3HG2 ILE 58 7.703 -4.527 5.545 443 HD11 ILE 58 3HD1 ILE 58 4.923 -2.519 3.879 444 HD12 ILE 58 1HD1 ILE 58 5.811 -3.931 3.304 445 HD13 ILE 58 2HD1 ILE 58 6.565 -2.820 4.449 446 H LEU 59 H LEU 59 4.732 -2.565 9.464 447 HA LEU 59 HA LEU 59 7.172 -3.098 10.973 448 HB2 LEU 59 2HB LEU 59 5.226 -0.806 10.924 449 HB3 LEU 59 1HB LEU 59 6.461 -0.946 12.161 450 HG LEU 59 HG LEU 59 7.172 -0.961 9.241 451 HD11 LEU 59 1HD1 LEU 59 7.774 1.545 9.958 452 HD12 LEU 59 2HD1 LEU 59 6.325 1.307 10.933 453 HD13 LEU 59 3HD1 LEU 59 6.253 1.103 9.183 454 HD21 LEU 59 3HD2 LEU 59 8.684 -0.252 11.752 455 HD22 LEU 59 1HD2 LEU 59 9.320 -0.141 10.111 456 HD23 LEU 59 2HD2 LEU 59 8.885 -1.713 10.783 457 H LYS 60 H LYS 60 4.570 -4.704 11.103 458 HA LYS 60 HA LYS 60 3.304 -5.767 12.667 459 HB2 LYS 60 2HB LYS 60 5.872 -5.872 13.519 460 HB3 LYS 60 1HB LYS 60 5.119 -5.080 14.895 461 HG2 LYS 60 2HG LYS 60 4.682 -7.147 15.604 462 HG3 LYS 60 1HG LYS 60 3.383 -7.125 14.410 463 HD2 LYS 60 2HD LYS 60 6.147 -7.964 13.624 464 HD3 LYS 60 1HD LYS 60 5.064 -9.103 14.426 465 HE2 LYS 60 2HE LYS 60 3.741 -9.318 12.614 466 HE3 LYS 60 1HE LYS 60 3.879 -7.613 12.185 467 HZ1 LYS 60 3HZ LYS 60 5.631 -7.999 10.851 468 HZ2 LYS 60 1HZ LYS 60 5.002 -9.569 10.787 469 HZ3 LYS 60 2HZ LYS 60 6.279 -9.212 11.837 470 H GLU 61 H GLU 61 2.767 -2.965 12.224 471 HA GLU 61 HA GLU 61 2.000 -1.981 14.868 472 HB2 GLU 61 2HB GLU 61 2.007 -0.697 12.138 473 HB3 GLU 61 1HB GLU 61 1.315 0.077 13.557 474 HG2 GLU 61 2HG GLU 61 3.554 -0.159 14.658 475 HG3 GLU 61 1HG GLU 61 4.185 -0.684 13.098 476 H ILE 62 H ILE 62 0.624 -3.190 11.887 477 HA ILE 62 HA ILE 62 -1.980 -3.356 13.213 478 HB ILE 62 HB ILE 62 -3.100 -2.692 11.064 479 HG12 ILE 62 2HG1 ILE 62 -0.402 -1.506 10.393 480 HG13 ILE 62 1HG1 ILE 62 -1.026 -2.984 9.669 481 HG21 ILE 62 1HG2 ILE 62 -3.382 -1.002 12.532 482 HG22 ILE 62 2HG2 ILE 62 -2.275 -0.161 11.447 483 HG23 ILE 62 3HG2 ILE 62 -1.664 -0.911 12.922 484 HD11 ILE 62 3HD1 ILE 62 -1.290 -0.629 8.511 485 HD12 ILE 62 1HD1 ILE 62 -2.725 -0.562 9.536 486 HD13 ILE 62 2HD1 ILE 62 -2.529 -1.877 8.378 487 H ASP 63 H ASP 63 -2.964 -5.258 12.904 488 HA ASP 63 HA ASP 63 -1.845 -7.057 10.857 489 HB2 ASP 63 2HB ASP 63 -2.588 -7.450 13.674 490 HB3 ASP 63 1HB ASP 63 -3.173 -8.710 12.591 491 H THR 64 H THR 64 -4.679 -5.455 11.944 492 HA THR 64 HA THR 64 -6.558 -7.239 10.702 493 HB THR 64 HB THR 64 -6.913 -4.402 11.689 494 HG1 THR 64 1HG THR 64 -7.267 -6.919 12.923 495 HG21 THR 64 3HG2 THR 64 -9.162 -4.568 11.459 496 HG22 THR 64 1HG2 THR 64 -9.157 -6.329 11.567 497 HG23 THR 64 2HG2 THR 64 -8.661 -5.536 10.072 498 H LEU 65 H LEU 65 -6.928 -7.369 8.599 499 HA LEU 65 HA LEU 65 -6.780 -4.941 6.969 500 HB2 LEU 65 2HB LEU 65 -5.014 -7.240 6.806 501 HB3 LEU 65 1HB LEU 65 -5.850 -6.962 5.290 502 HG LEU 65 HG LEU 65 -4.974 -4.710 5.160 503 HD11 LEU 65 1HD1 LEU 65 -4.776 -3.774 7.218 504 HD12 LEU 65 2HD1 LEU 65 -3.098 -4.270 6.988 505 HD13 LEU 65 3HD1 LEU 65 -4.186 -5.260 7.961 506 HD21 LEU 65 3HD2 LEU 65 -3.434 -6.008 4.109 507 HD22 LEU 65 1HD2 LEU 65 -3.146 -7.012 5.530 508 HD23 LEU 65 2HD2 LEU 65 -2.420 -5.408 5.421 509 HA PRO 66 HA PRO 66 -6.916 -4.648 4.692 510 HB2 PRO 66 2HB PRO 66 -8.776 -3.304 3.291 511 HB3 PRO 66 1HB PRO 66 -8.086 -4.824 2.708 512 HG2 PRO 66 2HG PRO 66 -10.705 -4.331 4.070 513 HG3 PRO 66 1HG PRO 66 -10.345 -5.372 2.680 514 HD2 PRO 66 2HD PRO 66 -10.620 -6.301 5.239 515 HD3 PRO 66 1HD PRO 66 -9.626 -7.098 4.003 516 H TYR 67 H TYR 67 -7.000 -2.234 4.770 517 HA TYR 67 HA TYR 67 -7.748 -1.370 7.376 518 HB2 TYR 67 2HB TYR 67 -5.765 -0.490 6.223 519 HB3 TYR 67 1HB TYR 67 -6.797 0.242 4.999 520 HD1 TYR 67 2HD TYR 67 -6.124 0.282 8.664 521 HD2 TYR 67 1HD TYR 67 -7.562 2.425 5.281 522 HE1 TYR 67 2HE TYR 67 -6.282 2.323 10.028 523 HE2 TYR 67 1HE TYR 67 -7.722 4.469 6.634 524 HH TYR 67 HH TYR 67 -6.333 4.725 9.749 525 H LYS 68 H LYS 68 -9.835 -1.122 7.876 526 HA LYS 68 HA LYS 68 -11.707 -0.067 5.916 527 HB2 LYS 68 2HB LYS 68 -13.384 -0.481 7.768 528 HB3 LYS 68 1HB LYS 68 -12.557 -1.905 7.152 529 HG2 LYS 68 2HG LYS 68 -11.312 -0.583 9.474 530 HG3 LYS 68 1HG LYS 68 -12.859 -1.381 9.758 531 HD2 LYS 68 2HD LYS 68 -10.874 -2.899 8.183 532 HD3 LYS 68 1HD LYS 68 -10.488 -2.645 9.887 533 HE2 LYS 68 2HE LYS 68 -11.681 -4.598 10.016 534 HE3 LYS 68 1HE LYS 68 -12.971 -3.417 10.236 535 HZ1 LYS 68 3HZ LYS 68 -13.664 -3.684 8.015 536 HZ2 LYS 68 1HZ LYS 68 -13.425 -5.253 8.606 537 HZ3 LYS 68 2HZ LYS 68 -12.273 -4.547 7.588 538 H ASN 69 H ASN 69 -10.646 2.044 5.859 539 HA ASN 69 HA ASN 69 -10.636 4.271 6.318 540 HB2 ASN 69 2HB ASN 69 -13.136 3.379 7.175 541 HB3 ASN 69 1HB ASN 69 -12.523 4.321 8.531 542 HD21 ASN 69 1HD2 ASN 69 -12.175 4.666 5.020 543 HD22 ASN 69 2HD2 ASN 69 -12.800 6.275 4.944
Contact the webmaster for help, if required. Thursday, May 23, 2024 9:32:55 AM GMT (wattos1)