NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14096 | 1wfg | 10083 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -52.218 2.851 -14.073 2 HA2 GLY 1 1HA GLY 1 -52.689 3.913 -11.351 3 HA3 GLY 1 2HA GLY 1 -51.813 2.428 -11.665 4 H SER 2 H SER 2 -49.654 2.737 -11.342 5 HA SER 2 HA SER 2 -48.467 4.992 -12.714 6 HB2 SER 2 1HB SER 2 -48.834 5.687 -10.338 7 HB3 SER 2 2HB SER 2 -47.901 4.306 -9.795 8 HG SER 2 HG SER 2 -46.233 5.646 -9.939 9 H SER 3 H SER 3 -46.314 4.570 -13.452 10 HA SER 3 HA SER 3 -45.032 2.179 -12.566 11 HB2 SER 3 1HB SER 3 -46.764 1.936 -14.742 12 HB3 SER 3 2HB SER 3 -45.209 2.167 -15.516 13 HG SER 3 HG SER 3 -44.454 0.433 -13.898 14 H GLY 4 H GLY 4 -42.788 2.396 -12.767 15 HA2 GLY 4 1HA GLY 4 -41.688 4.266 -14.702 16 HA3 GLY 4 2HA GLY 4 -41.526 4.734 -13.021 17 H SER 5 H SER 5 -39.152 4.540 -13.439 18 HA SER 5 HA SER 5 -38.272 2.007 -12.555 19 HB2 SER 5 1HB SER 5 -36.668 1.656 -14.501 20 HB3 SER 5 2HB SER 5 -38.355 1.344 -14.859 21 HG SER 5 HG SER 5 -38.266 2.841 -16.376 22 H SER 6 H SER 6 -37.124 4.931 -14.405 23 HA SER 6 HA SER 6 -35.589 6.408 -13.996 24 HB2 SER 6 1HB SER 6 -36.752 5.860 -11.378 25 HB3 SER 6 2HB SER 6 -35.066 6.304 -11.202 26 HG SER 6 HG SER 6 -36.862 8.056 -11.320 27 H GLY 7 H GLY 7 -33.592 5.874 -14.812 28 HA2 GLY 7 1HA GLY 7 -31.702 4.514 -13.085 29 HA3 GLY 7 2HA GLY 7 -32.151 3.630 -14.530 30 H HIS 8 H HIS 8 -30.220 6.197 -13.209 31 HA HIS 8 HA HIS 8 -29.542 7.095 -15.909 32 HB2 HIS 8 1HB HIS 8 -28.639 9.098 -14.857 33 HB3 HIS 8 2HB HIS 8 -30.325 8.865 -14.439 34 HD1 HIS 8 1HD HIS 8 -30.879 9.020 -12.000 35 HD2 HIS 8 2HD HIS 8 -26.827 8.154 -12.656 36 HE1 HIS 8 1HE HIS 8 -29.761 9.052 -9.707 37 H SER 9 H SER 9 -27.359 7.080 -16.609 38 HA SER 9 HA SER 9 -25.838 5.024 -15.409 39 HB2 SER 9 1HB SER 9 -25.916 5.444 -17.873 40 HB3 SER 9 2HB SER 9 -25.103 6.978 -17.634 41 HG SER 9 HG SER 9 -23.296 5.744 -16.670 42 H HIS 10 H HIS 10 -23.712 5.219 -14.424 43 HA HIS 10 HA HIS 10 -23.311 7.866 -13.251 44 HB2 HIS 10 1HB HIS 10 -23.741 5.753 -11.834 45 HB3 HIS 10 2HB HIS 10 -22.110 5.278 -12.264 46 HD1 HIS 10 1HD HIS 10 -20.303 6.103 -10.741 47 HD2 HIS 10 2HD HIS 10 -23.766 8.458 -10.510 48 HE1 HIS 10 1HE HIS 10 -19.886 7.807 -8.888 49 H SER 11 H SER 11 -21.227 8.846 -13.269 50 HA SER 11 HA SER 11 -19.772 8.273 -15.593 51 HB2 SER 11 1HB SER 11 -18.955 10.016 -13.227 52 HB3 SER 11 2HB SER 11 -18.290 10.096 -14.846 53 HG SER 11 HG SER 11 -19.900 11.741 -14.512 54 H ASP 12 H ASP 12 -17.068 8.492 -14.982 55 HA ASP 12 HA ASP 12 -15.359 7.214 -14.561 56 HB2 ASP 12 1HB ASP 12 -16.831 7.373 -11.952 57 HB3 ASP 12 2HB ASP 12 -15.552 6.178 -12.038 58 H LYS 13 H LYS 13 -16.229 5.577 -16.173 59 HA LYS 13 HA LYS 13 -17.156 3.136 -14.828 60 HB2 LYS 13 1HB LYS 13 -18.257 2.533 -16.905 61 HB3 LYS 13 2HB LYS 13 -18.821 4.097 -16.351 62 HG2 LYS 13 1HG LYS 13 -18.014 5.166 -18.196 63 HG3 LYS 13 2HG LYS 13 -16.462 4.358 -18.091 64 HD2 LYS 13 1HD LYS 13 -17.042 3.025 -19.828 65 HD3 LYS 13 2HD LYS 13 -18.354 2.358 -18.876 66 HE2 LYS 13 1HE LYS 13 -19.401 4.822 -19.641 67 HE3 LYS 13 2HE LYS 13 -18.437 4.392 -21.040 68 HZ1 LYS 13 1HZ LYS 13 -20.885 3.348 -20.275 69 HZ2 LYS 13 2HZ LYS 13 -19.999 2.970 -21.594 70 HZ3 LYS 13 3HZ LYS 13 -19.802 2.128 -20.209 71 H HIS 14 H HIS 14 -14.715 3.035 -14.326 72 HA HIS 14 HA HIS 14 -13.603 1.088 -15.953 73 HB2 HIS 14 1HB HIS 14 -11.563 2.529 -16.678 74 HB3 HIS 14 2HB HIS 14 -13.014 2.506 -17.660 75 HD1 HIS 14 1HD HIS 14 -11.936 4.882 -18.508 76 HD2 HIS 14 2HD HIS 14 -13.528 4.791 -14.629 77 HE1 HIS 14 1HE HIS 14 -12.296 7.314 -17.826 78 HA PRO 15 HA PRO 15 -11.727 0.968 -12.009 79 HB2 PRO 15 1HB PRO 15 -10.748 -1.579 -12.167 80 HB3 PRO 15 2HB PRO 15 -12.386 -1.211 -11.661 81 HG2 PRO 15 1HG PRO 15 -11.444 -2.306 -14.241 82 HG3 PRO 15 2HG PRO 15 -13.060 -2.328 -13.563 83 HD2 PRO 15 1HD PRO 15 -12.095 -0.604 -15.643 84 HD3 PRO 15 2HD PRO 15 -13.674 -0.550 -14.885 85 H VAL 16 H VAL 16 -9.980 -0.211 -14.829 86 HA VAL 16 HA VAL 16 -7.541 0.819 -13.580 87 HB VAL 16 HB VAL 16 -7.873 -0.973 -15.991 88 HG11 VAL 16 1HG1 VAL 16 -5.615 -1.081 -16.143 89 HG12 VAL 16 2HG1 VAL 16 -5.691 0.492 -15.315 90 HG13 VAL 16 3HG1 VAL 16 -5.383 -0.992 -14.380 91 HG21 VAL 16 1HG2 VAL 16 -8.354 -1.601 -13.274 92 HG22 VAL 16 2HG2 VAL 16 -8.214 -2.721 -14.651 93 HG23 VAL 16 3HG2 VAL 16 -6.775 -2.311 -13.687 94 H THR 17 H THR 17 -6.454 2.563 -14.425 95 HA THR 17 HA THR 17 -7.120 3.473 -17.096 96 HB THR 17 HB THR 17 -7.426 5.845 -15.770 97 HG1 THR 17 1HG THR 17 -7.678 5.229 -13.654 98 HG21 THR 17 1HG2 THR 17 -9.900 5.476 -15.849 99 HG22 THR 17 2HG2 THR 17 -9.125 4.912 -17.349 100 HG23 THR 17 3HG2 THR 17 -9.625 3.737 -16.109 101 H TRP 18 H TRP 18 -5.325 4.108 -18.116 102 HA TRP 18 HA TRP 18 -3.066 4.886 -16.398 103 HB2 TRP 18 1HB TRP 18 -3.101 3.289 -18.959 104 HB3 TRP 18 2HB TRP 18 -1.648 4.007 -18.292 105 HD1 TRP 18 HD TRP 18 -4.159 1.172 -17.569 106 HE1 TRP 18 1HE TRP 18 -3.184 -0.545 -15.819 107 HE3 TRP 18 3HE TRP 18 -0.026 3.897 -16.410 108 HZ2 TRP 18 2HZ TRP 18 -0.846 -0.571 -14.182 109 HZ3 TRP 18 3HZ TRP 18 1.552 2.954 -14.726 110 HH2 TRP 18 HH TRP 18 1.196 0.801 -13.625 111 H GLN 19 H GLN 19 -2.916 7.094 -16.526 112 HA GLN 19 HA GLN 19 -3.049 8.207 -19.210 113 HB2 GLN 19 1HB GLN 19 -4.111 9.809 -16.882 114 HB3 GLN 19 2HB GLN 19 -4.477 9.967 -18.589 115 HG2 GLN 19 1HG GLN 19 -6.392 8.829 -18.073 116 HG3 GLN 19 2HG GLN 19 -5.373 7.404 -18.125 117 HE21 GLN 19 1HE2 GLN 19 -4.672 6.427 -16.251 118 HE22 GLN 19 2HE2 GLN 19 -5.351 6.751 -14.691 119 HA PRO 20 HA PRO 20 0.616 10.175 -17.974 120 HB2 PRO 20 1HB PRO 20 0.737 12.271 -19.723 121 HB3 PRO 20 2HB PRO 20 1.198 10.636 -20.153 122 HG2 PRO 20 1HG PRO 20 -1.247 12.127 -20.888 123 HG3 PRO 20 2HG PRO 20 -0.571 10.691 -21.632 124 HD2 PRO 20 1HD PRO 20 -2.826 10.809 -19.862 125 HD3 PRO 20 2HD PRO 20 -2.079 9.363 -20.513 126 H SER 21 H SER 21 1.675 12.053 -16.999 127 HA SER 21 HA SER 21 -0.217 13.238 -15.255 128 HB2 SER 21 1HB SER 21 1.644 14.008 -14.037 129 HB3 SER 21 2HB SER 21 2.240 12.530 -14.765 130 HG SER 21 HG SER 21 3.425 13.693 -16.274 131 H LYS 22 H LYS 22 0.483 15.838 -14.826 132 HA LYS 22 HA LYS 22 -0.788 17.224 -16.827 133 HB2 LYS 22 1HB LYS 22 0.607 17.809 -14.351 134 HB3 LYS 22 2HB LYS 22 0.924 19.052 -15.545 135 HG2 LYS 22 1HG LYS 22 -1.743 18.780 -15.957 136 HG3 LYS 22 2HG LYS 22 -1.687 18.239 -14.292 137 HD2 LYS 22 1HD LYS 22 -0.207 20.417 -13.923 138 HD3 LYS 22 2HD LYS 22 -0.934 20.945 -15.427 139 HE2 LYS 22 1HE LYS 22 -2.935 19.812 -13.579 140 HE3 LYS 22 2HE LYS 22 -2.075 21.160 -12.863 141 HZ1 LYS 22 1HZ LYS 22 -4.105 21.349 -14.618 142 HZ2 LYS 22 2HZ LYS 22 -3.077 22.558 -14.231 143 HZ3 LYS 22 3HZ LYS 22 -2.806 21.649 -15.561 144 H ASP 23 H ASP 23 2.730 16.614 -16.324 145 HA ASP 23 HA ASP 23 3.476 18.232 -18.494 146 HB2 ASP 23 1HB ASP 23 4.771 16.924 -16.401 147 HB3 ASP 23 2HB ASP 23 5.277 15.978 -17.786 148 H GLY 24 H GLY 24 3.718 14.622 -17.977 149 HA2 GLY 24 1HA GLY 24 2.446 13.329 -19.735 150 HA3 GLY 24 2HA GLY 24 3.378 14.260 -20.890 151 H ASP 25 H ASP 25 5.853 14.354 -19.239 152 HA ASP 25 HA ASP 25 7.104 12.156 -20.245 153 HB2 ASP 25 1HB ASP 25 7.913 13.600 -17.683 154 HB3 ASP 25 2HB ASP 25 8.979 12.762 -18.793 155 H ARG 26 H ARG 26 5.028 12.515 -17.454 156 HA ARG 26 HA ARG 26 5.996 9.981 -16.403 157 HB2 ARG 26 1HB ARG 26 4.695 12.399 -15.141 158 HB3 ARG 26 2HB ARG 26 4.387 10.837 -14.408 159 HG2 ARG 26 1HG ARG 26 7.247 11.427 -15.090 160 HG3 ARG 26 2HG ARG 26 6.554 12.382 -13.794 161 HD2 ARG 26 1HD ARG 26 6.063 10.444 -12.467 162 HD3 ARG 26 2HD ARG 26 6.237 9.356 -13.830 163 HE ARG 26 HE ARG 26 8.740 10.447 -13.698 164 HH11 ARG 26 2HH2 ARG 26 6.662 9.068 -11.216 165 HH12 ARG 26 1HH2 ARG 26 7.981 8.525 -10.233 166 HH21 ARG 26 2HH1 ARG 26 10.480 9.731 -12.402 167 HH22 ARG 26 1HH1 ARG 26 10.167 8.905 -10.912 168 H LEU 27 H LEU 27 4.345 8.369 -15.738 169 HA LEU 27 HA LEU 27 1.774 8.805 -17.093 170 HB2 LEU 27 1HB LEU 27 3.726 7.011 -17.837 171 HB3 LEU 27 2HB LEU 27 2.672 6.028 -16.839 172 HG LEU 27 HG LEU 27 1.620 5.684 -18.804 173 HD11 LEU 27 1HD1 LEU 27 0.313 8.348 -18.726 174 HD12 LEU 27 2HD1 LEU 27 -0.393 6.715 -18.773 175 HD13 LEU 27 3HD1 LEU 27 0.233 7.370 -17.241 176 HD21 LEU 27 1HD2 LEU 27 2.666 6.533 -20.574 177 HD22 LEU 27 2HD2 LEU 27 1.605 7.953 -20.415 178 HD23 LEU 27 3HD2 LEU 27 3.217 7.958 -19.660 179 H ILE 28 H ILE 28 0.080 8.822 -15.724 180 HA ILE 28 HA ILE 28 0.519 7.678 -13.071 181 HB ILE 28 HB ILE 28 -1.731 9.474 -13.953 182 HG12 ILE 28 1HG1 ILE 28 0.376 10.593 -14.496 183 HG13 ILE 28 2HG1 ILE 28 -0.445 11.381 -13.164 184 HG21 ILE 28 1HG2 ILE 28 -2.460 9.155 -11.885 185 HG22 ILE 28 2HG2 ILE 28 -1.061 8.120 -11.516 186 HG23 ILE 28 3HG2 ILE 28 -0.958 9.878 -11.261 187 HD11 ILE 28 1HD1 ILE 28 2.107 10.962 -12.923 188 HD12 ILE 28 2HD1 ILE 28 1.073 10.516 -11.545 189 HD13 ILE 28 3HD1 ILE 28 1.668 9.258 -12.654 190 H GLY 29 H GLY 29 -0.018 5.555 -12.968 191 HA2 GLY 29 1HA GLY 29 -2.290 4.613 -14.570 192 HA3 GLY 29 2HA GLY 29 -1.052 3.633 -13.811 193 H ARG 30 H ARG 30 -4.252 4.214 -13.649 194 HA ARG 30 HA ARG 30 -4.273 4.102 -10.740 195 HB2 ARG 30 1HB ARG 30 -5.790 5.697 -12.599 196 HB3 ARG 30 2HB ARG 30 -6.913 4.577 -11.855 197 HG2 ARG 30 1HG ARG 30 -6.779 5.603 -9.814 198 HG3 ARG 30 2HG ARG 30 -5.035 5.756 -9.900 199 HD2 ARG 30 1HD ARG 30 -5.196 7.763 -11.279 200 HD3 ARG 30 2HD ARG 30 -6.918 7.539 -11.511 201 HE ARG 30 HE ARG 30 -6.298 7.704 -8.691 202 HH11 ARG 30 2HH2 ARG 30 -6.648 9.682 -11.580 203 HH12 ARG 30 1HH2 ARG 30 -7.064 11.117 -10.703 204 HH21 ARG 30 2HH1 ARG 30 -6.847 9.596 -7.533 205 HH22 ARG 30 1HH1 ARG 30 -7.178 11.067 -8.385 206 H ILE 31 H ILE 31 -4.722 2.079 -9.927 207 HA ILE 31 HA ILE 31 -6.259 0.273 -11.661 208 HB ILE 31 HB ILE 31 -4.048 -0.230 -9.681 209 HG12 ILE 31 1HG1 ILE 31 -3.437 -1.640 -11.904 210 HG13 ILE 31 2HG1 ILE 31 -4.366 -0.346 -12.635 211 HG21 ILE 31 1HG2 ILE 31 -5.447 -1.959 -9.070 212 HG22 ILE 31 2HG2 ILE 31 -6.161 -2.105 -10.694 213 HG23 ILE 31 3HG2 ILE 31 -4.511 -2.700 -10.391 214 HD11 ILE 31 1HD1 ILE 31 -2.807 1.268 -12.109 215 HD12 ILE 31 2HD1 ILE 31 -2.383 0.500 -10.561 216 HD13 ILE 31 3HD1 ILE 31 -1.712 -0.135 -12.082 217 H LEU 32 H LEU 32 -7.849 -1.116 -10.635 218 HA LEU 32 HA LEU 32 -8.575 -0.353 -7.922 219 HB2 LEU 32 1HB LEU 32 -9.821 1.208 -9.228 220 HB3 LEU 32 2HB LEU 32 -10.356 -0.041 -10.335 221 HG LEU 32 HG LEU 32 -12.084 0.765 -8.710 222 HD11 LEU 32 1HD1 LEU 32 -11.814 -2.105 -8.053 223 HD12 LEU 32 2HD1 LEU 32 -13.151 -1.215 -8.820 224 HD13 LEU 32 3HD1 LEU 32 -11.734 -1.696 -9.783 225 HD21 LEU 32 1HD2 LEU 32 -10.054 0.410 -6.825 226 HD22 LEU 32 2HD2 LEU 32 -11.760 0.812 -6.513 227 HD23 LEU 32 3HD2 LEU 32 -11.226 -0.886 -6.487 228 H LEU 33 H LEU 33 -9.659 -2.004 -6.780 229 HA LEU 33 HA LEU 33 -10.146 -4.458 -8.292 230 HB2 LEU 33 1HB LEU 33 -8.643 -4.429 -5.678 231 HB3 LEU 33 2HB LEU 33 -8.964 -5.802 -6.720 232 HG LEU 33 HG LEU 33 -7.374 -3.506 -7.813 233 HD11 LEU 33 1HD1 LEU 33 -5.503 -3.864 -6.624 234 HD12 LEU 33 2HD1 LEU 33 -6.620 -4.526 -5.406 235 HD13 LEU 33 3HD1 LEU 33 -5.773 -5.621 -6.524 236 HD21 LEU 33 1HD2 LEU 33 -6.538 -6.269 -8.335 237 HD22 LEU 33 2HD2 LEU 33 -8.202 -5.907 -8.854 238 HD23 LEU 33 3HD2 LEU 33 -6.847 -4.924 -9.459 239 H ASN 34 H ASN 34 -11.832 -5.756 -7.456 240 HA ASN 34 HA ASN 34 -13.300 -4.427 -5.315 241 HB2 ASN 34 1HB ASN 34 -14.387 -4.400 -7.630 242 HB3 ASN 34 2HB ASN 34 -14.446 -6.151 -7.573 243 HD21 ASN 34 1HD2 ASN 34 -16.640 -6.297 -7.616 244 HD22 ASN 34 2HD2 ASN 34 -17.677 -5.838 -6.307 245 H LYS 35 H LYS 35 -14.884 -6.130 -4.198 246 HA LYS 35 HA LYS 35 -13.679 -8.793 -4.190 247 HB2 LYS 35 1HB LYS 35 -14.204 -7.135 -1.705 248 HB3 LYS 35 2HB LYS 35 -13.718 -8.818 -1.722 249 HG2 LYS 35 1HG LYS 35 -11.590 -8.271 -2.795 250 HG3 LYS 35 2HG LYS 35 -12.089 -6.613 -3.062 251 HD2 LYS 35 1HD LYS 35 -11.584 -5.981 -0.919 252 HD3 LYS 35 2HD LYS 35 -12.290 -7.425 -0.222 253 HE2 LYS 35 1HE LYS 35 -10.119 -8.003 0.229 254 HE3 LYS 35 2HE LYS 35 -10.082 -8.513 -1.447 255 HZ1 LYS 35 1HZ LYS 35 -8.930 -6.170 -0.235 256 HZ2 LYS 35 2HZ LYS 35 -8.385 -7.074 -1.481 257 HZ3 LYS 35 3HZ LYS 35 -9.552 -5.960 -1.730 258 H ARG 36 H ARG 36 -16.368 -6.619 -3.136 259 HA ARG 36 HA ARG 36 -18.177 -8.300 -2.272 260 HB2 ARG 36 1HB ARG 36 -18.536 -6.049 -4.301 261 HB3 ARG 36 2HB ARG 36 -19.911 -6.868 -3.587 262 HG2 ARG 36 1HG ARG 36 -19.347 -6.132 -1.371 263 HG3 ARG 36 2HG ARG 36 -17.719 -5.686 -1.841 264 HD2 ARG 36 1HD ARG 36 -20.258 -4.309 -2.848 265 HD3 ARG 36 2HD ARG 36 -19.230 -3.694 -1.569 266 HE ARG 36 HE ARG 36 -17.520 -4.152 -3.760 267 HH11 ARG 36 2HH2 ARG 36 -20.333 -2.153 -3.071 268 HH12 ARG 36 1HH2 ARG 36 -19.876 -0.904 -4.181 269 HH21 ARG 36 2HH1 ARG 36 -16.917 -2.504 -5.224 270 HH22 ARG 36 1HH1 ARG 36 -17.920 -1.105 -5.414 271 H LEU 37 H LEU 37 -18.737 -10.345 -2.963 272 HA LEU 37 HA LEU 37 -18.236 -11.393 -5.432 273 HB2 LEU 37 1HB LEU 37 -20.479 -12.144 -3.552 274 HB3 LEU 37 2HB LEU 37 -19.815 -13.149 -4.824 275 HG LEU 37 HG LEU 37 -17.891 -12.151 -2.784 276 HD11 LEU 37 1HD1 LEU 37 -20.315 -13.295 -1.924 277 HD12 LEU 37 2HD1 LEU 37 -19.089 -14.579 -1.799 278 HD13 LEU 37 3HD1 LEU 37 -18.834 -13.022 -0.975 279 HD21 LEU 37 1HD2 LEU 37 -17.989 -14.145 -4.817 280 HD22 LEU 37 2HD2 LEU 37 -16.631 -13.689 -3.762 281 HD23 LEU 37 3HD2 LEU 37 -17.767 -14.959 -3.250 282 H LYS 38 H LYS 38 -20.164 -12.336 -6.896 283 HA LYS 38 HA LYS 38 -21.102 -10.249 -8.386 284 HB2 LYS 38 1HB LYS 38 -21.175 -13.039 -8.482 285 HB3 LYS 38 2HB LYS 38 -22.863 -12.573 -8.497 286 HG2 LYS 38 1HG LYS 38 -22.505 -12.297 -10.748 287 HG3 LYS 38 2HG LYS 38 -21.887 -10.732 -10.261 288 HD2 LYS 38 1HD LYS 38 -19.580 -11.608 -10.199 289 HD3 LYS 38 2HD LYS 38 -20.152 -13.231 -10.532 290 HE2 LYS 38 1HE LYS 38 -19.568 -12.581 -12.689 291 HE3 LYS 38 2HE LYS 38 -21.246 -12.075 -12.682 292 HZ1 LYS 38 1HZ LYS 38 -20.563 -9.874 -12.139 293 HZ2 LYS 38 2HZ LYS 38 -18.999 -10.316 -11.978 294 HZ3 LYS 38 3HZ LYS 38 -19.713 -10.359 -13.446 295 H ASP 39 H ASP 39 -22.763 -12.031 -5.714 296 HA ASP 39 HA ASP 39 -25.194 -10.842 -5.934 297 HB2 ASP 39 1HB ASP 39 -23.690 -11.558 -3.372 298 HB3 ASP 39 2HB ASP 39 -25.421 -11.307 -3.476 299 H GLY 40 H GLY 40 -22.123 -9.686 -4.472 300 HA2 GLY 40 1HA GLY 40 -21.716 -7.310 -4.521 301 HA3 GLY 40 2HA GLY 40 -23.380 -7.044 -4.041 302 H SER 41 H SER 41 -21.344 -9.665 -2.693 303 HA SER 41 HA SER 41 -21.093 -8.095 -0.259 304 HB2 SER 41 1HB SER 41 -22.126 -10.952 -0.489 305 HB3 SER 41 2HB SER 41 -21.585 -10.254 1.025 306 HG SER 41 HG SER 41 -23.426 -8.659 -0.386 307 H VAL 42 H VAL 42 -19.059 -8.261 0.697 308 HA VAL 42 HA VAL 42 -17.044 -9.614 -0.778 309 HB VAL 42 HB VAL 42 -17.051 -8.150 1.867 310 HG11 VAL 42 1HG1 VAL 42 -14.786 -8.399 2.079 311 HG12 VAL 42 2HG1 VAL 42 -15.166 -9.948 1.287 312 HG13 VAL 42 3HG1 VAL 42 -14.527 -8.591 0.328 313 HG21 VAL 42 1HG2 VAL 42 -16.134 -6.290 0.643 314 HG22 VAL 42 2HG2 VAL 42 -16.019 -7.260 -0.845 315 HG23 VAL 42 3HG2 VAL 42 -17.615 -6.828 -0.186 316 HA PRO 43 HA PRO 43 -17.250 -13.402 1.318 317 HB2 PRO 43 1HB PRO 43 -14.929 -14.529 0.417 318 HB3 PRO 43 2HB PRO 43 -16.417 -14.529 -0.509 319 HG2 PRO 43 1HG PRO 43 -13.993 -12.882 -0.896 320 HG3 PRO 43 2HG PRO 43 -15.292 -13.206 -2.027 321 HD2 PRO 43 1HD PRO 43 -14.883 -10.794 -0.529 322 HD3 PRO 43 2HD PRO 43 -16.243 -11.163 -1.571 323 H ARG 44 H ARG 44 -15.554 -15.001 2.537 324 HA ARG 44 HA ARG 44 -15.049 -13.579 4.851 325 HB2 ARG 44 1HB ARG 44 -14.798 -16.314 3.890 326 HB3 ARG 44 2HB ARG 44 -13.357 -15.902 4.797 327 HG2 ARG 44 1HG ARG 44 -15.863 -14.974 6.087 328 HG3 ARG 44 2HG ARG 44 -15.780 -16.715 5.904 329 HD2 ARG 44 1HD ARG 44 -13.338 -15.279 6.958 330 HD3 ARG 44 2HD ARG 44 -14.705 -15.483 8.036 331 HE ARG 44 HE ARG 44 -14.249 -18.003 6.820 332 HH11 ARG 44 2HH2 ARG 44 -12.562 -15.793 8.977 333 HH12 ARG 44 1HH2 ARG 44 -11.673 -17.047 9.775 334 HH21 ARG 44 2HH1 ARG 44 -13.076 -19.658 7.872 335 HH22 ARG 44 1HH1 ARG 44 -11.967 -19.260 9.142 336 H ASP 45 H ASP 45 -13.235 -13.950 1.889 337 HA ASP 45 HA ASP 45 -11.443 -12.050 2.340 338 HB2 ASP 45 1HB ASP 45 -9.352 -13.727 2.753 339 HB3 ASP 45 2HB ASP 45 -10.162 -12.884 4.058 340 H SER 46 H SER 46 -11.236 -11.764 0.105 341 HA SER 46 HA SER 46 -10.673 -14.154 -1.457 342 HB2 SER 46 1HB SER 46 -12.627 -13.141 -2.329 343 HB3 SER 46 2HB SER 46 -12.012 -11.517 -2.094 344 HG SER 46 HG SER 46 -11.426 -13.396 -4.168 345 H GLY 47 H GLY 47 -8.484 -13.299 -0.058 346 HA2 GLY 47 1HA GLY 47 -6.277 -13.025 -0.665 347 HA3 GLY 47 2HA GLY 47 -6.762 -12.285 -2.178 348 H ALA 48 H ALA 48 -6.353 -11.757 1.342 349 HA ALA 48 HA ALA 48 -7.170 -9.142 1.534 350 HB1 ALA 48 1HB ALA 48 -5.005 -9.284 3.232 351 HB2 ALA 48 2HB ALA 48 -6.635 -9.893 3.606 352 HB3 ALA 48 3HB ALA 48 -5.391 -11.004 2.985 353 H MET 49 H MET 49 -4.107 -10.529 0.270 354 HA MET 49 HA MET 49 -3.073 -7.871 -0.125 355 HB2 MET 49 1HB MET 49 -2.053 -10.651 -0.031 356 HB3 MET 49 2HB MET 49 -1.366 -9.760 -1.374 357 HG2 MET 49 1HG MET 49 -1.386 -8.067 1.000 358 HG3 MET 49 2HG MET 49 -0.623 -9.598 1.382 359 HE1 MET 49 1HE MET 49 1.979 -6.797 0.735 360 HE2 MET 49 2HE MET 49 0.601 -6.045 -0.103 361 HE3 MET 49 3HE MET 49 0.358 -6.847 1.467 362 H LEU 50 H LEU 50 -5.454 -9.350 -1.642 363 HA LEU 50 HA LEU 50 -6.339 -9.203 -3.661 364 HB2 LEU 50 1HB LEU 50 -3.985 -7.400 -4.237 365 HB3 LEU 50 2HB LEU 50 -5.318 -7.668 -5.343 366 HG LEU 50 HG LEU 50 -5.387 -5.550 -3.947 367 HD11 LEU 50 1HD1 LEU 50 -7.335 -6.703 -5.150 368 HD12 LEU 50 2HD1 LEU 50 -7.840 -7.256 -3.535 369 HD13 LEU 50 3HD1 LEU 50 -7.727 -5.514 -3.884 370 HD21 LEU 50 1HD2 LEU 50 -4.652 -6.663 -1.828 371 HD22 LEU 50 2HD2 LEU 50 -6.100 -5.641 -1.668 372 HD23 LEU 50 3HD2 LEU 50 -6.263 -7.412 -1.726 373 H GLY 51 H GLY 51 -2.741 -9.348 -4.192 374 HA2 GLY 51 1HA GLY 51 -2.560 -12.020 -4.806 375 HA3 GLY 51 2HA GLY 51 -3.012 -11.245 -6.311 376 H LEU 52 H LEU 52 -1.658 -8.647 -5.579 377 HA LEU 52 HA LEU 52 1.043 -9.536 -6.241 378 HB2 LEU 52 1HB LEU 52 1.201 -7.752 -7.553 379 HB3 LEU 52 2HB LEU 52 -0.549 -7.739 -7.460 380 HG LEU 52 HG LEU 52 0.300 -5.505 -7.150 381 HD11 LEU 52 1HD1 LEU 52 -0.457 -5.287 -4.563 382 HD12 LEU 52 2HD1 LEU 52 -1.590 -5.476 -5.923 383 HD13 LEU 52 3HD1 LEU 52 -1.118 -6.893 -4.955 384 HD21 LEU 52 1HD2 LEU 52 1.619 -5.900 -4.564 385 HD22 LEU 52 2HD2 LEU 52 2.463 -6.682 -5.922 386 HD23 LEU 52 3HD2 LEU 52 2.114 -4.938 -5.978 387 H LYS 53 H LYS 53 2.897 -8.705 -5.116 388 HA LYS 53 HA LYS 53 2.229 -7.999 -2.358 389 HB2 LYS 53 1HB LYS 53 3.777 -10.013 -3.245 390 HB3 LYS 53 2HB LYS 53 4.998 -8.761 -3.153 391 HG2 LYS 53 1HG LYS 53 3.313 -8.648 -0.779 392 HG3 LYS 53 2HG LYS 53 3.900 -10.284 -1.000 393 HD2 LYS 53 1HD LYS 53 6.066 -9.709 -0.522 394 HD3 LYS 53 2HD LYS 53 5.989 -8.237 -1.469 395 HE2 LYS 53 1HE LYS 53 6.280 -7.566 0.835 396 HE3 LYS 53 2HE LYS 53 4.626 -7.179 0.405 397 HZ1 LYS 53 1HZ LYS 53 5.578 -9.025 2.320 398 HZ2 LYS 53 2HZ LYS 53 4.081 -8.396 2.146 399 HZ3 LYS 53 3HZ LYS 53 4.508 -9.730 1.306 400 H VAL 54 H VAL 54 2.900 -6.087 -1.421 401 HA VAL 54 HA VAL 54 4.391 -4.286 -3.203 402 HB VAL 54 HB VAL 54 2.043 -3.748 -1.385 403 HG11 VAL 54 1HG1 VAL 54 2.615 -1.347 -2.614 404 HG12 VAL 54 2HG1 VAL 54 3.003 -1.768 -0.929 405 HG13 VAL 54 3HG1 VAL 54 4.232 -1.966 -2.202 406 HG21 VAL 54 1HG2 VAL 54 1.066 -4.294 -3.375 407 HG22 VAL 54 2HG2 VAL 54 1.399 -2.576 -3.704 408 HG23 VAL 54 3HG2 VAL 54 2.493 -3.831 -4.334 409 H VAL 55 H VAL 55 6.195 -3.323 -2.346 410 HA VAL 55 HA VAL 55 6.627 -3.780 0.526 411 HB VAL 55 HB VAL 55 8.386 -4.137 -1.865 412 HG11 VAL 55 1HG1 VAL 55 9.795 -2.637 -0.772 413 HG12 VAL 55 2HG1 VAL 55 9.267 -3.157 0.846 414 HG13 VAL 55 3HG1 VAL 55 10.324 -4.208 -0.126 415 HG21 VAL 55 1HG2 VAL 55 9.041 -6.172 -0.716 416 HG22 VAL 55 2HG2 VAL 55 8.135 -5.684 0.736 417 HG23 VAL 55 3HG2 VAL 55 7.265 -6.065 -0.770 418 H GLY 56 H GLY 56 6.442 -1.893 1.613 419 HA2 GLY 56 1HA GLY 56 7.103 0.595 0.188 420 HA3 GLY 56 2HA GLY 56 6.102 0.438 1.618 421 H GLY 57 H GLY 57 7.732 2.314 2.168 422 HA2 GLY 57 1HA GLY 57 9.410 3.038 3.473 423 HA3 GLY 57 2HA GLY 57 9.416 1.448 4.211 424 H LYS 58 H LYS 58 9.884 1.400 0.762 425 HA LYS 58 HA LYS 58 12.503 0.358 1.080 426 HB2 LYS 58 1HB LYS 58 10.700 -0.228 -0.672 427 HB3 LYS 58 2HB LYS 58 11.237 1.204 -1.527 428 HG2 LYS 58 1HG LYS 58 13.623 -0.159 -0.804 429 HG3 LYS 58 2HG LYS 58 12.523 -1.419 -1.329 430 HD2 LYS 58 1HD LYS 58 12.344 0.876 -3.129 431 HD3 LYS 58 2HD LYS 58 14.014 0.368 -2.972 432 HE2 LYS 58 1HE LYS 58 12.678 -2.071 -3.215 433 HE3 LYS 58 2HE LYS 58 11.735 -1.027 -4.260 434 HZ1 LYS 58 1HZ LYS 58 14.268 -2.090 -4.716 435 HZ2 LYS 58 2HZ LYS 58 13.337 -1.215 -5.734 436 HZ3 LYS 58 3HZ LYS 58 14.388 -0.461 -4.737 437 H MET 59 H MET 59 14.448 1.376 1.047 438 HA MET 59 HA MET 59 14.394 4.222 0.913 439 HB2 MET 59 1HB MET 59 16.105 2.101 1.957 440 HB3 MET 59 2HB MET 59 17.086 3.176 0.979 441 HG2 MET 59 1HG MET 59 15.192 4.172 3.160 442 HG3 MET 59 2HG MET 59 16.886 3.826 3.448 443 HE1 MET 59 1HE MET 59 14.837 6.131 3.596 444 HE2 MET 59 2HE MET 59 15.866 7.569 3.388 445 HE3 MET 59 3HE MET 59 14.678 7.135 2.135 446 H THR 60 H THR 60 14.588 5.376 -0.953 447 HA THR 60 HA THR 60 15.565 4.037 -3.326 448 HB THR 60 HB THR 60 14.815 6.254 -4.353 449 HG1 THR 60 1HG THR 60 15.257 7.369 -2.229 450 HG21 THR 60 1HG2 THR 60 12.594 5.434 -2.481 451 HG22 THR 60 2HG2 THR 60 12.533 5.744 -4.233 452 HG23 THR 60 3HG2 THR 60 13.199 4.210 -3.623 453 H GLU 61 H GLU 61 16.742 6.147 -4.730 454 HA GLU 61 HA GLU 61 19.286 6.148 -3.373 455 HB2 GLU 61 1HB GLU 61 20.040 7.101 -5.673 456 HB3 GLU 61 2HB GLU 61 19.525 5.427 -5.603 457 HG2 GLU 61 1HG GLU 61 17.486 5.855 -6.692 458 HG3 GLU 61 2HG GLU 61 17.434 7.528 -6.173 459 H SER 62 H SER 62 16.577 8.103 -3.452 460 HA SER 62 HA SER 62 18.142 10.549 -3.436 461 HB2 SER 62 1HB SER 62 15.431 9.841 -4.265 462 HB3 SER 62 2HB SER 62 15.390 11.165 -3.118 463 HG SER 62 HG SER 62 17.368 11.373 -5.129 464 H GLY 63 H GLY 63 17.292 8.168 -1.322 465 HA2 GLY 63 1HA GLY 63 17.448 8.150 0.948 466 HA3 GLY 63 2HA GLY 63 17.526 9.900 0.969 467 H ARG 64 H ARG 64 14.924 8.842 -1.007 468 HA ARG 64 HA ARG 64 13.116 9.485 1.161 469 HB2 ARG 64 1HB ARG 64 13.160 9.958 -1.753 470 HB3 ARG 64 2HB ARG 64 11.619 9.312 -1.225 471 HG2 ARG 64 1HG ARG 64 12.827 11.524 0.425 472 HG3 ARG 64 2HG ARG 64 12.176 11.956 -1.144 473 HD2 ARG 64 1HD ARG 64 10.249 10.217 0.073 474 HD3 ARG 64 2HD ARG 64 10.741 11.353 1.314 475 HE ARG 64 HE ARG 64 9.140 11.958 -1.010 476 HH11 ARG 64 2HH2 ARG 64 11.630 13.334 1.061 477 HH12 ARG 64 1HH2 ARG 64 11.171 14.973 0.741 478 HH21 ARG 64 2HH1 ARG 64 8.534 14.120 -1.433 479 HH22 ARG 64 1HH1 ARG 64 9.397 15.423 -0.687 480 H LEU 65 H LEU 65 10.865 8.272 0.960 481 HA LEU 65 HA LEU 65 11.483 5.440 0.507 482 HB2 LEU 65 1HB LEU 65 9.415 6.697 2.316 483 HB3 LEU 65 2HB LEU 65 9.709 4.980 2.124 484 HG LEU 65 HG LEU 65 11.838 6.889 3.108 485 HD11 LEU 65 1HD1 LEU 65 10.507 7.201 4.894 486 HD12 LEU 65 2HD1 LEU 65 9.501 5.777 4.532 487 HD13 LEU 65 3HD1 LEU 65 11.068 5.575 5.353 488 HD21 LEU 65 1HD2 LEU 65 11.579 3.918 2.861 489 HD22 LEU 65 2HD2 LEU 65 12.963 4.983 2.514 490 HD23 LEU 65 3HD2 LEU 65 12.537 4.597 4.199 491 H CYS 66 H CYS 66 9.939 4.112 -0.592 492 HA CYS 66 HA CYS 66 7.595 5.316 -1.669 493 HB2 CYS 66 1HB CYS 66 10.046 5.099 -3.364 494 HB3 CYS 66 2HB CYS 66 8.522 4.637 -4.094 495 HG CYS 66 HG CYS 66 9.641 7.475 -2.951 496 H ALA 67 H ALA 67 6.175 3.652 -2.493 497 HA ALA 67 HA ALA 67 7.077 0.968 -1.778 498 HB1 ALA 67 1HB ALA 67 4.832 2.338 -1.088 499 HB2 ALA 67 2HB ALA 67 4.250 1.503 -2.549 500 HB3 ALA 67 3HB ALA 67 4.908 0.563 -1.188 501 H PHE 68 H PHE 68 7.375 -0.631 -3.285 502 HA PHE 68 HA PHE 68 6.448 -0.048 -6.002 503 HB2 PHE 68 1HB PHE 68 9.121 -1.321 -5.172 504 HB3 PHE 68 2HB PHE 68 8.661 -0.858 -6.799 505 HD1 PHE 68 2HD PHE 68 8.670 1.492 -7.475 506 HD2 PHE 68 1HD PHE 68 9.878 0.334 -3.575 507 HE1 PHE 68 2HE PHE 68 9.733 3.740 -7.136 508 HE2 PHE 68 1HE PHE 68 10.941 2.582 -3.236 509 HZ PHE 68 HZ PHE 68 10.855 4.259 -5.021 510 H ILE 69 H ILE 69 5.959 -1.916 -7.295 511 HA ILE 69 HA ILE 69 5.021 -4.105 -5.748 512 HB ILE 69 HB ILE 69 5.177 -3.673 -8.733 513 HG12 ILE 69 1HG1 ILE 69 2.880 -3.244 -6.799 514 HG13 ILE 69 2HG1 ILE 69 3.852 -1.973 -7.514 515 HG21 ILE 69 1HG2 ILE 69 3.115 -5.390 -8.366 516 HG22 ILE 69 2HG2 ILE 69 4.773 -5.887 -8.781 517 HG23 ILE 69 3HG2 ILE 69 4.226 -5.939 -7.088 518 HD11 ILE 69 1HD1 ILE 69 2.893 -3.791 -9.589 519 HD12 ILE 69 2HD1 ILE 69 1.539 -3.165 -8.619 520 HD13 ILE 69 3HD1 ILE 69 2.648 -2.035 -9.432 521 H THR 70 H THR 70 6.065 -5.935 -5.164 522 HA THR 70 HA THR 70 8.748 -6.328 -6.239 523 HB THR 70 HB THR 70 8.926 -7.875 -4.279 524 HG1 THR 70 1HG THR 70 6.925 -8.647 -3.721 525 HG21 THR 70 1HG2 THR 70 8.395 -5.043 -4.093 526 HG22 THR 70 2HG2 THR 70 7.545 -5.844 -2.749 527 HG23 THR 70 3HG2 THR 70 9.301 -6.060 -2.946 528 H LYS 71 H LYS 71 5.585 -8.034 -5.953 529 HA LYS 71 HA LYS 71 6.267 -9.508 -8.332 530 HB2 LYS 71 1HB LYS 71 7.274 -10.806 -6.403 531 HB3 LYS 71 2HB LYS 71 5.647 -11.056 -5.804 532 HG2 LYS 71 1HG LYS 71 5.058 -12.478 -7.556 533 HG3 LYS 71 2HG LYS 71 6.126 -11.693 -8.702 534 HD2 LYS 71 1HD LYS 71 7.544 -12.997 -6.436 535 HD3 LYS 71 2HD LYS 71 6.643 -14.112 -7.444 536 HE2 LYS 71 1HE LYS 71 7.895 -12.438 -9.317 537 HE3 LYS 71 2HE LYS 71 9.106 -12.602 -8.061 538 HZ1 LYS 71 1HZ LYS 71 7.772 -15.037 -8.792 539 HZ2 LYS 71 2HZ LYS 71 8.712 -14.389 -9.961 540 HZ3 LYS 71 3HZ LYS 71 9.356 -14.761 -8.507 541 H VAL 72 H VAL 72 4.372 -10.522 -9.300 542 HA VAL 72 HA VAL 72 1.859 -9.677 -8.052 543 HB VAL 72 HB VAL 72 2.502 -9.403 -10.990 544 HG11 VAL 72 1HG1 VAL 72 0.173 -8.463 -9.286 545 HG12 VAL 72 2HG1 VAL 72 0.447 -7.981 -10.977 546 HG13 VAL 72 3HG1 VAL 72 0.141 -9.688 -10.577 547 HG21 VAL 72 1HG2 VAL 72 3.863 -7.741 -10.153 548 HG22 VAL 72 2HG2 VAL 72 2.322 -6.862 -10.300 549 HG23 VAL 72 3HG2 VAL 72 2.848 -7.478 -8.714 550 H LYS 73 H LYS 73 0.609 -11.433 -7.710 551 HA LYS 73 HA LYS 73 1.283 -13.956 -8.643 552 HB2 LYS 73 1HB LYS 73 -0.070 -13.478 -6.630 553 HB3 LYS 73 2HB LYS 73 -1.396 -12.944 -7.643 554 HG2 LYS 73 1HG LYS 73 -2.041 -15.150 -7.391 555 HG3 LYS 73 2HG LYS 73 -1.014 -15.349 -8.797 556 HD2 LYS 73 1HD LYS 73 0.798 -15.498 -6.658 557 HD3 LYS 73 2HD LYS 73 -0.618 -16.322 -6.038 558 HE2 LYS 73 1HE LYS 73 -0.545 -17.999 -7.690 559 HE3 LYS 73 2HE LYS 73 0.302 -16.983 -8.840 560 HZ1 LYS 73 1HZ LYS 73 1.396 -18.334 -6.491 561 HZ2 LYS 73 2HZ LYS 73 1.889 -18.433 -8.045 562 HZ3 LYS 73 3HZ LYS 73 2.186 -17.081 -7.178 563 H LYS 74 H LYS 74 0.472 -15.294 -10.308 564 HA LYS 74 HA LYS 74 -0.582 -13.761 -12.547 565 HB2 LYS 74 1HB LYS 74 1.342 -14.958 -13.157 566 HB3 LYS 74 2HB LYS 74 0.861 -16.391 -12.271 567 HG2 LYS 74 1HG LYS 74 -0.296 -17.205 -14.049 568 HG3 LYS 74 2HG LYS 74 -1.185 -15.707 -14.240 569 HD2 LYS 74 1HD LYS 74 0.111 -15.061 -15.993 570 HD3 LYS 74 2HD LYS 74 1.587 -15.343 -15.092 571 HE2 LYS 74 1HE LYS 74 1.453 -17.782 -15.617 572 HE3 LYS 74 2HE LYS 74 -0.039 -17.516 -16.498 573 HZ1 LYS 74 1HZ LYS 74 2.644 -16.960 -17.289 574 HZ2 LYS 74 2HZ LYS 74 1.322 -17.230 -18.209 575 HZ3 LYS 74 3HZ LYS 74 1.610 -15.738 -17.613 576 H GLY 75 H GLY 75 -2.770 -13.548 -12.474 577 HA2 GLY 75 1HA GLY 75 -4.824 -14.554 -13.040 578 HA3 GLY 75 2HA GLY 75 -4.318 -16.042 -12.264 579 H SER 76 H SER 76 -4.111 -12.636 -11.041 580 HA SER 76 HA SER 76 -6.099 -13.360 -9.053 581 HB2 SER 76 1HB SER 76 -3.424 -13.353 -8.422 582 HB3 SER 76 2HB SER 76 -3.835 -11.686 -8.069 583 HG SER 76 HG SER 76 -5.827 -13.079 -7.003 584 H LEU 77 H LEU 77 -6.685 -11.207 -7.734 585 HA LEU 77 HA LEU 77 -7.901 -9.460 -9.373 586 HB2 LEU 77 1HB LEU 77 -6.810 -9.211 -6.596 587 HB3 LEU 77 2HB LEU 77 -7.533 -7.815 -7.370 588 HG LEU 77 HG LEU 77 -9.177 -8.894 -5.994 589 HD11 LEU 77 1HD1 LEU 77 -9.503 -8.438 -8.772 590 HD12 LEU 77 2HD1 LEU 77 -10.449 -9.888 -8.359 591 HD13 LEU 77 3HD1 LEU 77 -10.729 -8.363 -7.484 592 HD21 LEU 77 1HD2 LEU 77 -9.896 -11.199 -6.299 593 HD22 LEU 77 2HD2 LEU 77 -8.684 -11.427 -7.583 594 HD23 LEU 77 3HD2 LEU 77 -8.161 -11.127 -5.908 595 H ALA 78 H ALA 78 -4.815 -8.555 -7.677 596 HA ALA 78 HA ALA 78 -4.336 -6.481 -9.562 597 HB1 ALA 78 1HB ALA 78 -2.095 -6.443 -8.287 598 HB2 ALA 78 2HB ALA 78 -3.571 -6.129 -7.344 599 HB3 ALA 78 3HB ALA 78 -2.791 -7.727 -7.270 600 H ASP 79 H ASP 79 -4.629 -8.062 -11.468 601 HA ASP 79 HA ASP 79 -2.191 -8.424 -12.652 602 HB2 ASP 79 1HB ASP 79 -2.242 -10.364 -10.863 603 HB3 ASP 79 2HB ASP 79 -3.383 -11.128 -11.951 604 H THR 80 H THR 80 -5.454 -9.963 -12.202 605 HA THR 80 HA THR 80 -5.775 -10.228 -15.079 606 HB THR 80 HB THR 80 -7.740 -11.537 -14.439 607 HG1 THR 80 1HG THR 80 -7.140 -10.729 -11.703 608 HG21 THR 80 1HG2 THR 80 -6.817 -13.018 -12.548 609 HG22 THR 80 2HG2 THR 80 -5.746 -12.853 -13.960 610 HG23 THR 80 3HG2 THR 80 -5.420 -11.917 -12.482 611 H VAL 81 H VAL 81 -6.994 -8.262 -12.344 612 HA VAL 81 HA VAL 81 -8.589 -6.756 -14.289 613 HB VAL 81 HB VAL 81 -9.613 -5.805 -12.174 614 HG11 VAL 81 1HG1 VAL 81 -10.201 -8.074 -13.658 615 HG12 VAL 81 2HG1 VAL 81 -10.271 -8.651 -11.975 616 HG13 VAL 81 3HG1 VAL 81 -11.277 -7.274 -12.486 617 HG21 VAL 81 1HG2 VAL 81 -9.346 -6.972 -10.097 618 HG22 VAL 81 2HG2 VAL 81 -8.319 -8.212 -10.857 619 HG23 VAL 81 3HG2 VAL 81 -7.721 -6.544 -10.685 620 H GLY 82 H GLY 82 -6.027 -6.556 -11.777 621 HA2 GLY 82 1HA GLY 82 -5.711 -3.706 -12.108 622 HA3 GLY 82 2HA GLY 82 -4.744 -4.790 -11.127 623 H HIS 83 H HIS 83 -4.013 -6.740 -13.116 624 HA HIS 83 HA HIS 83 -2.558 -7.126 -14.715 625 HB2 HIS 83 1HB HIS 83 -3.226 -4.334 -15.686 626 HB3 HIS 83 2HB HIS 83 -2.267 -5.500 -16.576 627 HD1 HIS 83 1HD HIS 83 -3.622 -7.886 -17.080 628 HD2 HIS 83 2HD HIS 83 -5.906 -4.474 -16.222 629 HE1 HIS 83 1HE HIS 83 -5.978 -8.370 -17.933 630 H LEU 84 H LEU 84 -2.063 -5.431 -12.093 631 HA LEU 84 HA LEU 84 0.124 -3.792 -12.512 632 HB2 LEU 84 1HB LEU 84 -0.586 -5.498 -10.121 633 HB3 LEU 84 2HB LEU 84 0.604 -4.211 -10.122 634 HG LEU 84 HG LEU 84 -2.282 -3.712 -10.865 635 HD11 LEU 84 1HD1 LEU 84 -2.964 -3.947 -8.770 636 HD12 LEU 84 2HD1 LEU 84 -1.351 -4.551 -8.321 637 HD13 LEU 84 3HD1 LEU 84 -1.713 -2.812 -8.208 638 HD21 LEU 84 1HD2 LEU 84 -0.764 -1.968 -11.545 639 HD22 LEU 84 2HD2 LEU 84 -1.726 -1.399 -10.160 640 HD23 LEU 84 3HD2 LEU 84 -0.038 -1.909 -9.922 641 H ARG 85 H ARG 85 2.437 -4.272 -11.770 642 HA ARG 85 HA ARG 85 3.204 -7.000 -12.136 643 HB2 ARG 85 1HB ARG 85 3.722 -4.853 -14.190 644 HB3 ARG 85 2HB ARG 85 5.019 -5.989 -13.879 645 HG2 ARG 85 1HG ARG 85 3.974 -7.597 -15.088 646 HG3 ARG 85 2HG ARG 85 2.536 -7.469 -14.094 647 HD2 ARG 85 1HD ARG 85 1.487 -6.624 -15.930 648 HD3 ARG 85 2HD ARG 85 2.404 -5.154 -15.667 649 HE ARG 85 HE ARG 85 4.006 -7.079 -17.108 650 HH11 ARG 85 2HH2 ARG 85 1.338 -4.825 -17.532 651 HH12 ARG 85 1HH2 ARG 85 1.636 -4.591 -19.222 652 HH21 ARG 85 2HH1 ARG 85 4.401 -6.770 -19.337 653 HH22 ARG 85 1HH1 ARG 85 3.391 -5.704 -20.256 654 HA PRO 86 HA PRO 86 6.486 -5.624 -9.614 655 HB2 PRO 86 1HB PRO 86 8.566 -7.270 -10.270 656 HB3 PRO 86 2HB PRO 86 7.246 -7.763 -9.228 657 HG2 PRO 86 1HG PRO 86 7.756 -8.497 -12.046 658 HG3 PRO 86 2HG PRO 86 6.716 -9.286 -10.877 659 HD2 PRO 86 1HD PRO 86 5.892 -7.576 -13.027 660 HD3 PRO 86 2HD PRO 86 4.866 -8.272 -11.789 661 H GLY 87 H GLY 87 7.311 -3.638 -9.666 662 HA2 GLY 87 1HA GLY 87 9.534 -2.705 -10.461 663 HA3 GLY 87 2HA GLY 87 8.909 -3.015 -12.069 664 H ASP 88 H ASP 88 6.126 -2.384 -10.448 665 HA ASP 88 HA ASP 88 6.137 0.322 -11.381 666 HB2 ASP 88 1HB ASP 88 4.155 -1.754 -10.708 667 HB3 ASP 88 2HB ASP 88 3.687 -0.187 -10.077 668 H GLU 89 H GLU 89 5.060 2.046 -9.866 669 HA GLU 89 HA GLU 89 5.885 1.517 -7.117 670 HB2 GLU 89 1HB GLU 89 7.456 3.081 -8.145 671 HB3 GLU 89 2HB GLU 89 6.148 4.086 -8.736 672 HG2 GLU 89 1HG GLU 89 5.440 4.507 -6.345 673 HG3 GLU 89 2HG GLU 89 6.823 3.578 -5.800 674 H VAL 90 H VAL 90 4.123 1.416 -5.799 675 HA VAL 90 HA VAL 90 1.625 2.493 -6.669 676 HB VAL 90 HB VAL 90 2.387 1.335 -3.985 677 HG11 VAL 90 1HG1 VAL 90 -0.302 1.099 -5.315 678 HG12 VAL 90 2HG1 VAL 90 0.121 1.008 -3.589 679 HG13 VAL 90 3HG1 VAL 90 0.132 2.579 -4.427 680 HG21 VAL 90 1HG2 VAL 90 1.478 -0.107 -6.498 681 HG22 VAL 90 2HG2 VAL 90 3.079 -0.222 -5.729 682 HG23 VAL 90 3HG2 VAL 90 1.640 -0.844 -4.886 683 H LEU 91 H LEU 91 1.517 4.708 -6.760 684 HA LEU 91 HA LEU 91 2.869 6.361 -4.920 685 HB2 LEU 91 1HB LEU 91 0.758 6.784 -7.014 686 HB3 LEU 91 2HB LEU 91 1.235 8.088 -5.946 687 HG LEU 91 HG LEU 91 2.348 7.916 -8.256 688 HD11 LEU 91 1HD1 LEU 91 4.483 8.066 -6.188 689 HD12 LEU 91 2HD1 LEU 91 4.061 9.197 -7.497 690 HD13 LEU 91 3HD1 LEU 91 3.088 9.156 -6.007 691 HD21 LEU 91 1HD2 LEU 91 3.789 5.680 -6.813 692 HD22 LEU 91 2HD2 LEU 91 2.898 5.601 -8.352 693 HD23 LEU 91 3HD2 LEU 91 4.429 6.505 -8.255 694 H GLU 92 H GLU 92 -0.670 5.628 -5.344 695 HA GLU 92 HA GLU 92 -0.897 6.131 -2.479 696 HB2 GLU 92 1HB GLU 92 -2.821 6.923 -4.705 697 HB3 GLU 92 2HB GLU 92 -3.261 6.948 -3.010 698 HG2 GLU 92 1HG GLU 92 -1.652 8.651 -2.494 699 HG3 GLU 92 2HG GLU 92 -0.776 8.399 -3.990 700 H TRP 93 H TRP 93 -3.003 5.070 -1.561 701 HA TRP 93 HA TRP 93 -3.761 2.686 -3.045 702 HB2 TRP 93 1HB TRP 93 -1.836 1.920 -1.821 703 HB3 TRP 93 2HB TRP 93 -2.439 2.615 -0.330 704 HD1 TRP 93 HD TRP 93 -4.901 1.411 0.550 705 HE1 TRP 93 1HE TRP 93 -5.646 -1.121 0.566 706 HE3 TRP 93 3HE TRP 93 -1.573 -0.136 -2.969 707 HZ2 TRP 93 2HZ TRP 93 -4.780 -3.434 -0.862 708 HZ3 TRP 93 3HZ TRP 93 -1.588 -2.547 -3.601 709 HH2 TRP 93 HH TRP 93 -3.119 -4.174 -2.610 710 H ASN 94 H ASN 94 -5.931 3.190 -3.173 711 HA ASN 94 HA ASN 94 -7.978 3.527 -2.543 712 HB2 ASN 94 1HB ASN 94 -6.795 2.682 0.123 713 HB3 ASN 94 2HB ASN 94 -8.444 3.274 0.082 714 HD21 ASN 94 1HD2 ASN 94 -9.195 1.246 0.716 715 HD22 ASN 94 2HD2 ASN 94 -9.321 -0.090 -0.379 716 H GLY 95 H GLY 95 -5.635 5.614 -2.238 717 HA2 GLY 95 1HA GLY 95 -6.142 7.945 -2.150 718 HA3 GLY 95 2HA GLY 95 -7.243 7.644 -0.820 719 H ARG 96 H ARG 96 -4.736 5.553 -0.206 720 HA ARG 96 HA ARG 96 -3.609 7.442 1.649 721 HB2 ARG 96 1HB ARG 96 -3.612 4.424 1.374 722 HB3 ARG 96 2HB ARG 96 -2.366 5.175 2.352 723 HG2 ARG 96 1HG ARG 96 -5.194 6.089 2.817 724 HG3 ARG 96 2HG ARG 96 -4.786 4.472 3.356 725 HD2 ARG 96 1HD ARG 96 -2.662 5.658 4.431 726 HD3 ARG 96 2HD ARG 96 -3.618 7.118 4.267 727 HE ARG 96 HE ARG 96 -5.122 4.938 5.499 728 HH11 ARG 96 2HH2 ARG 96 -2.839 7.541 6.125 729 HH12 ARG 96 1HH2 ARG 96 -3.267 7.687 7.796 730 HH21 ARG 96 2HH1 ARG 96 -5.688 5.130 7.705 731 HH22 ARG 96 1HH1 ARG 96 -4.899 6.307 8.701 732 H LEU 97 H LEU 97 -1.815 8.588 0.994 733 HA LEU 97 HA LEU 97 -0.297 7.792 -1.252 734 HB2 LEU 97 1HB LEU 97 -0.686 10.116 -0.646 735 HB3 LEU 97 2HB LEU 97 0.186 9.899 0.858 736 HG LEU 97 HG LEU 97 1.974 9.084 -1.163 737 HD11 LEU 97 1HD1 LEU 97 2.089 11.006 -2.658 738 HD12 LEU 97 2HD1 LEU 97 0.527 10.169 -2.819 739 HD13 LEU 97 3HD1 LEU 97 0.629 11.696 -1.910 740 HD21 LEU 97 1HD2 LEU 97 3.344 10.846 -0.351 741 HD22 LEU 97 2HD2 LEU 97 1.937 11.765 0.237 742 HD23 LEU 97 3HD2 LEU 97 2.402 10.243 1.034 743 H LEU 98 H LEU 98 1.513 6.549 -1.419 744 HA LEU 98 HA LEU 98 2.501 5.422 1.088 745 HB2 LEU 98 1HB LEU 98 3.042 4.473 -1.722 746 HB3 LEU 98 2HB LEU 98 3.341 3.618 -0.222 747 HG LEU 98 HG LEU 98 0.667 4.234 -1.493 748 HD11 LEU 98 1HD1 LEU 98 1.725 1.532 -0.683 749 HD12 LEU 98 2HD1 LEU 98 0.443 1.940 -1.848 750 HD13 LEU 98 3HD1 LEU 98 2.146 2.266 -2.249 751 HD21 LEU 98 1HD2 LEU 98 1.302 3.833 1.320 752 HD22 LEU 98 2HD2 LEU 98 -0.220 4.335 0.546 753 HD23 LEU 98 3HD2 LEU 98 0.170 2.606 0.701 754 H GLN 99 H GLN 99 3.250 7.700 -1.433 755 HA GLN 99 HA GLN 99 5.970 7.505 -1.550 756 HB2 GLN 99 1HB GLN 99 3.929 9.592 -2.074 757 HB3 GLN 99 2HB GLN 99 5.520 10.237 -1.724 758 HG2 GLN 99 1HG GLN 99 6.481 8.650 -3.463 759 HG3 GLN 99 2HG GLN 99 4.845 8.170 -3.869 760 HE21 GLN 99 1HE2 GLN 99 7.094 9.676 -5.250 761 HE22 GLN 99 2HE2 GLN 99 6.353 11.093 -5.916 762 H GLY 100 H GLY 100 7.339 7.358 0.183 763 HA2 GLY 100 1HA GLY 100 8.574 8.457 1.833 764 HA3 GLY 100 2HA GLY 100 7.211 9.501 2.182 765 H ALA 101 H ALA 101 5.239 7.210 2.155 766 HA ALA 101 HA ALA 101 5.115 6.684 4.828 767 HB1 ALA 101 1HB ALA 101 4.135 5.072 2.441 768 HB2 ALA 101 2HB ALA 101 3.627 4.774 4.120 769 HB3 ALA 101 3HB ALA 101 3.244 6.326 3.336 770 H THR 102 H THR 102 5.823 5.032 6.221 771 HA THR 102 HA THR 102 8.280 3.784 5.417 772 HB THR 102 HB THR 102 8.469 3.310 7.760 773 HG1 THR 102 1HG THR 102 6.597 2.379 8.498 774 HG21 THR 102 1HG2 THR 102 6.511 5.502 8.244 775 HG22 THR 102 2HG2 THR 102 8.234 5.412 8.682 776 HG23 THR 102 3HG2 THR 102 7.758 5.896 7.036 777 H PHE 103 H PHE 103 8.614 1.380 6.103 778 HA PHE 103 HA PHE 103 7.203 -0.164 4.319 779 HB2 PHE 103 1HB PHE 103 9.391 -0.782 5.287 780 HB3 PHE 103 2HB PHE 103 8.742 -0.733 6.914 781 HD1 PHE 103 2HD PHE 103 8.870 -2.669 3.798 782 HD2 PHE 103 1HD PHE 103 7.509 -2.595 7.816 783 HE1 PHE 103 2HE PHE 103 8.395 -5.131 3.682 784 HE2 PHE 103 1HE PHE 103 7.034 -5.057 7.701 785 HZ PHE 103 HZ PHE 103 7.483 -6.296 5.635 786 H GLU 104 H GLU 104 6.578 0.523 7.786 787 HA GLU 104 HA GLU 104 4.571 -1.464 7.966 788 HB2 GLU 104 1HB GLU 104 5.475 0.823 9.742 789 HB3 GLU 104 2HB GLU 104 4.043 -0.104 10.143 790 HG2 GLU 104 1HG GLU 104 5.252 -2.088 10.514 791 HG3 GLU 104 2HG GLU 104 6.567 -1.613 9.457 792 H GLU 105 H GLU 105 4.622 2.143 7.634 793 HA GLU 105 HA GLU 105 1.981 2.640 7.823 794 HB2 GLU 105 1HB GLU 105 4.230 3.890 6.261 795 HB3 GLU 105 2HB GLU 105 2.602 4.451 5.936 796 HG2 GLU 105 1HG GLU 105 2.429 4.588 8.592 797 HG3 GLU 105 2HG GLU 105 4.179 4.609 8.515 798 H VAL 106 H VAL 106 3.800 1.752 4.804 799 HA VAL 106 HA VAL 106 1.633 1.786 3.090 800 HB VAL 106 HB VAL 106 4.187 0.176 3.120 801 HG11 VAL 106 1HG1 VAL 106 3.554 -0.979 1.320 802 HG12 VAL 106 2HG1 VAL 106 1.908 -0.339 1.540 803 HG13 VAL 106 3HG1 VAL 106 3.059 0.510 0.480 804 HG21 VAL 106 1HG2 VAL 106 4.728 1.851 1.250 805 HG22 VAL 106 2HG2 VAL 106 3.329 2.778 1.842 806 HG23 VAL 106 3HG2 VAL 106 4.710 2.465 2.921 807 H TYR 107 H TYR 107 3.007 -0.958 5.029 808 HA TYR 107 HA TYR 107 1.194 -2.877 4.182 809 HB2 TYR 107 1HB TYR 107 3.396 -2.919 5.644 810 HB3 TYR 107 2HB TYR 107 2.369 -2.488 6.997 811 HD1 TYR 107 2HD TYR 107 0.154 -4.086 7.154 812 HD2 TYR 107 1HD TYR 107 3.916 -5.164 5.425 813 HE1 TYR 107 2HE TYR 107 -0.368 -6.545 7.533 814 HE2 TYR 107 1HE TYR 107 3.381 -7.619 5.811 815 HH TYR 107 HH TYR 107 0.215 -8.625 6.894 816 H ASN 108 H ASN 108 1.050 -0.610 7.008 817 HA ASN 108 HA ASN 108 -1.150 -1.549 8.215 818 HB2 ASN 108 1HB ASN 108 0.029 1.195 7.831 819 HB3 ASN 108 2HB ASN 108 -1.599 1.138 8.478 820 HD21 ASN 108 1HD2 ASN 108 0.537 2.127 9.908 821 HD22 ASN 108 2HD2 ASN 108 0.882 1.109 11.266 822 H ILE 109 H ILE 109 -0.986 0.897 5.518 823 HA ILE 109 HA ILE 109 -3.616 1.451 5.195 824 HB ILE 109 HB ILE 109 -1.433 1.111 3.144 825 HG12 ILE 109 1HG1 ILE 109 -2.508 3.765 3.941 826 HG13 ILE 109 2HG1 ILE 109 -1.574 2.913 5.154 827 HG21 ILE 109 1HG2 ILE 109 -2.760 1.815 1.458 828 HG22 ILE 109 2HG2 ILE 109 -4.030 1.052 2.444 829 HG23 ILE 109 3HG2 ILE 109 -3.780 2.813 2.522 830 HD11 ILE 109 1HD1 ILE 109 -0.616 4.330 2.839 831 HD12 ILE 109 2HD1 ILE 109 0.335 3.510 4.101 832 HD13 ILE 109 3HD1 ILE 109 -0.186 2.613 2.655 833 H ILE 110 H ILE 110 -1.992 -0.963 3.029 834 HA ILE 110 HA ILE 110 -4.170 -2.135 2.014 835 HB ILE 110 HB ILE 110 -1.569 -3.393 2.877 836 HG12 ILE 110 1HG1 ILE 110 -2.188 -2.942 0.024 837 HG13 ILE 110 2HG1 ILE 110 -2.036 -1.478 0.976 838 HG21 ILE 110 1HG2 ILE 110 -2.299 -5.404 2.301 839 HG22 ILE 110 2HG2 ILE 110 -3.935 -4.736 2.084 840 HG23 ILE 110 3HG2 ILE 110 -2.808 -4.795 0.707 841 HD11 ILE 110 1HD1 ILE 110 0.126 -2.471 -0.081 842 HD12 ILE 110 2HD1 ILE 110 0.197 -1.974 1.626 843 HD13 ILE 110 3HD1 ILE 110 0.028 -3.695 1.207 844 H LEU 111 H LEU 111 -2.993 -2.390 5.348 845 HA LEU 111 HA LEU 111 -4.604 -4.640 5.998 846 HB2 LEU 111 1HB LEU 111 -2.539 -3.124 7.180 847 HB3 LEU 111 2HB LEU 111 -3.913 -3.005 8.261 848 HG LEU 111 HG LEU 111 -2.502 -5.513 7.334 849 HD11 LEU 111 1HD1 LEU 111 -2.333 -3.814 9.669 850 HD12 LEU 111 2HD1 LEU 111 -2.795 -5.473 10.120 851 HD13 LEU 111 3HD1 LEU 111 -1.312 -5.187 9.180 852 HD21 LEU 111 1HD2 LEU 111 -5.242 -5.325 7.760 853 HD22 LEU 111 2HD2 LEU 111 -4.256 -6.806 7.781 854 HD23 LEU 111 3HD2 LEU 111 -4.602 -5.946 9.301 855 H GLU 112 H GLU 112 -4.832 -1.101 6.806 856 HA GLU 112 HA GLU 112 -7.326 -1.309 7.957 857 HB2 GLU 112 1HB GLU 112 -6.063 1.073 6.528 858 HB3 GLU 112 2HB GLU 112 -7.441 1.168 7.607 859 HG2 GLU 112 1HG GLU 112 -5.585 -0.258 9.131 860 HG3 GLU 112 2HG GLU 112 -4.565 0.861 8.249 861 H SER 113 H SER 113 -6.381 -1.671 4.671 862 HA SER 113 HA SER 113 -9.150 -1.221 3.868 863 HB2 SER 113 1HB SER 113 -6.602 -0.834 2.236 864 HB3 SER 113 2HB SER 113 -8.215 -0.773 1.554 865 HG SER 113 HG SER 113 -8.123 0.860 3.749 866 H LYS 114 H LYS 114 -7.691 -3.644 4.989 867 HA LYS 114 HA LYS 114 -7.349 -5.400 2.753 868 HB2 LYS 114 1HB LYS 114 -6.387 -5.330 5.319 869 HB3 LYS 114 2HB LYS 114 -7.627 -6.560 5.453 870 HG2 LYS 114 1HG LYS 114 -6.643 -7.887 3.682 871 HG3 LYS 114 2HG LYS 114 -5.584 -6.580 3.192 872 HD2 LYS 114 1HD LYS 114 -5.106 -7.076 5.991 873 HD3 LYS 114 2HD LYS 114 -5.107 -8.627 5.175 874 HE2 LYS 114 1HE LYS 114 -3.652 -6.752 3.522 875 HE3 LYS 114 2HE LYS 114 -3.047 -6.611 5.161 876 HZ1 LYS 114 1HZ LYS 114 -3.083 -9.176 5.030 877 HZ2 LYS 114 2HZ LYS 114 -3.039 -8.932 3.416 878 HZ3 LYS 114 3HZ LYS 114 -1.846 -8.345 4.363 879 HA PRO 115 HA PRO 115 -11.548 -6.864 4.367 880 HB2 PRO 115 1HB PRO 115 -12.940 -5.312 6.134 881 HB3 PRO 115 2HB PRO 115 -11.940 -6.664 6.627 882 HG2 PRO 115 1HG PRO 115 -11.385 -3.769 6.851 883 HG3 PRO 115 2HG PRO 115 -10.624 -5.102 7.698 884 HD2 PRO 115 1HD PRO 115 -9.536 -3.624 5.493 885 HD3 PRO 115 2HD PRO 115 -8.828 -5.030 6.265 886 H GLU 116 H GLU 116 -10.886 -3.639 3.549 887 HA GLU 116 HA GLU 116 -13.272 -2.650 2.856 888 HB2 GLU 116 1HB GLU 116 -10.494 -2.358 1.850 889 HB3 GLU 116 2HB GLU 116 -11.722 -1.862 0.702 890 HG2 GLU 116 1HG GLU 116 -12.546 -0.823 3.235 891 HG3 GLU 116 2HG GLU 116 -10.826 -0.504 3.119 892 HA PRO 117 HA PRO 117 -14.853 -5.077 -0.374 893 HB2 PRO 117 1HB PRO 117 -16.453 -3.300 -1.698 894 HB3 PRO 117 2HB PRO 117 -16.929 -4.096 -0.211 895 HG2 PRO 117 1HG PRO 117 -16.058 -1.301 -0.621 896 HG3 PRO 117 2HG PRO 117 -16.928 -1.992 0.734 897 HD2 PRO 117 1HD PRO 117 -14.145 -1.302 0.653 898 HD3 PRO 117 2HD PRO 117 -14.989 -2.099 1.966 899 H GLN 118 H GLN 118 -13.530 -2.001 -1.413 900 HA GLN 118 HA GLN 118 -12.491 -3.467 -3.708 901 HB2 GLN 118 1HB GLN 118 -13.058 -1.768 -5.208 902 HB3 GLN 118 2HB GLN 118 -14.439 -1.750 -4.129 903 HG2 GLN 118 1HG GLN 118 -13.049 0.028 -2.761 904 HG3 GLN 118 2HG GLN 118 -12.103 0.185 -4.228 905 HE21 GLN 118 1HE2 GLN 118 -13.702 0.087 -6.268 906 HE22 GLN 118 2HE2 GLN 118 -14.955 1.282 -6.237 907 H VAL 119 H VAL 119 -10.567 -2.125 -4.746 908 HA VAL 119 HA VAL 119 -9.119 -0.625 -2.719 909 HB VAL 119 HB VAL 119 -7.976 -3.074 -4.077 910 HG11 VAL 119 1HG1 VAL 119 -5.985 -2.215 -3.558 911 HG12 VAL 119 2HG1 VAL 119 -6.756 -0.801 -2.801 912 HG13 VAL 119 3HG1 VAL 119 -6.438 -2.264 -1.838 913 HG21 VAL 119 1HG2 VAL 119 -8.022 -4.155 -1.901 914 HG22 VAL 119 2HG2 VAL 119 -8.742 -2.705 -1.162 915 HG23 VAL 119 3HG2 VAL 119 -9.667 -3.648 -2.354 916 H GLU 120 H GLU 120 -8.640 1.248 -3.735 917 HA GLU 120 HA GLU 120 -8.147 1.073 -6.597 918 HB2 GLU 120 1HB GLU 120 -9.972 2.585 -5.960 919 HB3 GLU 120 2HB GLU 120 -8.932 3.433 -4.832 920 HG2 GLU 120 1HG GLU 120 -7.420 3.678 -7.094 921 HG3 GLU 120 2HG GLU 120 -9.008 3.578 -7.826 922 H LEU 121 H LEU 121 -5.999 0.888 -7.081 923 HA LEU 121 HA LEU 121 -4.088 2.153 -5.281 924 HB2 LEU 121 1HB LEU 121 -3.970 -0.029 -7.326 925 HB3 LEU 121 2HB LEU 121 -2.505 0.839 -6.909 926 HG LEU 121 HG LEU 121 -2.450 0.013 -4.743 927 HD11 LEU 121 1HD1 LEU 121 -4.675 0.674 -4.043 928 HD12 LEU 121 2HD1 LEU 121 -5.396 -0.661 -4.975 929 HD13 LEU 121 3HD1 LEU 121 -4.360 -1.013 -3.570 930 HD21 LEU 121 1HD2 LEU 121 -3.586 -2.499 -5.256 931 HD22 LEU 121 2HD2 LEU 121 -3.062 -1.880 -6.841 932 HD23 LEU 121 3HD2 LEU 121 -1.895 -1.998 -5.501 933 H VAL 122 H VAL 122 -2.148 3.245 -6.382 934 HA VAL 122 HA VAL 122 -2.828 4.480 -8.914 935 HB VAL 122 HB VAL 122 -2.280 6.132 -6.442 936 HG11 VAL 122 1HG1 VAL 122 -2.906 8.032 -7.903 937 HG12 VAL 122 2HG1 VAL 122 -1.464 7.170 -8.489 938 HG13 VAL 122 3HG1 VAL 122 -3.038 6.910 -9.279 939 HG21 VAL 122 1HG2 VAL 122 -4.619 6.834 -6.543 940 HG22 VAL 122 2HG2 VAL 122 -4.905 5.743 -7.920 941 HG23 VAL 122 3HG2 VAL 122 -4.504 5.071 -6.321 942 H VAL 123 H VAL 123 -1.041 4.012 -10.087 943 HA VAL 123 HA VAL 123 1.535 4.185 -8.688 944 HB VAL 123 HB VAL 123 1.325 2.004 -9.416 945 HG11 VAL 123 1HG1 VAL 123 -0.674 1.945 -10.631 946 HG12 VAL 123 2HG1 VAL 123 -0.106 3.147 -11.815 947 HG13 VAL 123 3HG1 VAL 123 0.556 1.494 -11.836 948 HG21 VAL 123 1HG2 VAL 123 2.872 1.720 -11.294 949 HG22 VAL 123 2HG2 VAL 123 2.649 3.426 -11.752 950 HG23 VAL 123 3HG2 VAL 123 3.428 3.014 -10.205 951 H SER 124 H SER 124 3.389 4.947 -10.119 952 HA SER 124 HA SER 124 2.537 6.641 -12.276 953 HB2 SER 124 1HB SER 124 3.712 7.697 -9.685 954 HB3 SER 124 2HB SER 124 3.950 8.563 -11.189 955 HG SER 124 HG SER 124 2.081 9.388 -10.177 956 H ARG 125 H ARG 125 3.937 6.022 -13.881 957 HA ARG 125 HA ARG 125 6.653 5.413 -13.037 958 HB2 ARG 125 1HB ARG 125 6.816 3.948 -14.990 959 HB3 ARG 125 2HB ARG 125 5.348 3.540 -14.122 960 HG2 ARG 125 1HG ARG 125 4.762 5.651 -16.033 961 HG3 ARG 125 2HG ARG 125 5.602 4.353 -16.858 962 HD2 ARG 125 1HD ARG 125 2.981 4.221 -15.325 963 HD3 ARG 125 2HD ARG 125 3.293 3.747 -16.983 964 HE ARG 125 HE ARG 125 3.890 2.170 -14.562 965 HH11 ARG 125 2HH2 ARG 125 4.407 2.546 -18.022 966 HH12 ARG 125 1HH2 ARG 125 4.886 0.899 -18.259 967 HH21 ARG 125 2HH1 ARG 125 4.522 -0.004 -14.874 968 HH22 ARG 125 1HH1 ARG 125 4.951 -0.562 -16.457 969 H SER 126 H SER 126 8.425 6.094 -14.547 970 HA SER 126 HA SER 126 7.737 8.638 -15.713 971 HB2 SER 126 1HB SER 126 10.041 9.172 -15.571 972 HB3 SER 126 2HB SER 126 9.736 8.222 -14.130 973 HG SER 126 HG SER 126 11.524 7.235 -14.924 974 H GLY 127 H GLY 127 7.049 8.574 -17.827 975 HA2 GLY 127 1HA GLY 127 7.608 6.419 -19.577 976 HA3 GLY 127 2HA GLY 127 6.872 7.956 -19.985 977 HA PRO 128 HA PRO 128 10.968 7.983 -21.909 978 HB2 PRO 128 1HB PRO 128 10.169 8.661 -24.433 979 HB3 PRO 128 2HB PRO 128 10.412 7.004 -23.917 980 HG2 PRO 128 1HG PRO 128 7.874 8.455 -24.354 981 HG3 PRO 128 2HG PRO 128 8.147 6.727 -24.259 982 HD2 PRO 128 1HD PRO 128 7.026 8.402 -22.219 983 HD3 PRO 128 2HD PRO 128 7.407 6.697 -22.083 984 H SER 129 H SER 129 12.323 9.646 -21.658 985 HA SER 129 HA SER 129 11.667 12.134 -22.695 986 HB2 SER 129 1HB SER 129 10.053 12.278 -20.849 987 HB3 SER 129 2HB SER 129 11.288 11.845 -19.683 988 HG SER 129 HG SER 129 12.355 13.916 -20.883 989 H SER 130 H SER 130 13.858 11.582 -23.457 990 HA SER 130 HA SER 130 15.883 11.551 -21.403 991 HB2 SER 130 1HB SER 130 15.745 10.039 -23.569 992 HB3 SER 130 2HB SER 130 16.437 11.431 -24.378 993 HG SER 130 HG SER 130 18.252 10.399 -23.739 994 H GLY 131 H GLY 131 15.258 13.287 -24.549 995 HA2 GLY 131 1HA GLY 131 16.025 15.807 -23.323 996 HA3 GLY 131 2HA GLY 131 17.114 15.208 -24.559 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -39.876 10.898 -3.628 2 HA2 GLY 1 1HA GLY 1 -39.612 13.096 -4.064 3 HA3 GLY 1 2HA GLY 1 -41.036 13.287 -3.061 4 H SER 2 H SER 2 -40.804 14.752 -1.437 5 HA SER 2 HA SER 2 -39.791 16.188 -0.123 6 HB2 SER 2 1HB SER 2 -38.484 13.610 0.856 7 HB3 SER 2 2HB SER 2 -38.535 15.104 1.770 8 HG SER 2 HG SER 2 -40.746 14.930 2.035 9 H SER 3 H SER 3 -38.526 17.411 -1.654 10 HA SER 3 HA SER 3 -36.134 16.630 -2.693 11 HB2 SER 3 1HB SER 3 -35.688 19.151 -2.874 12 HB3 SER 3 2HB SER 3 -37.178 18.572 -3.593 13 HG SER 3 HG SER 3 -36.908 20.487 -1.743 14 H GLY 4 H GLY 4 -34.088 16.337 -1.859 15 HA2 GLY 4 1HA GLY 4 -33.357 17.765 0.598 16 HA3 GLY 4 2HA GLY 4 -33.317 16.013 0.608 17 H SER 5 H SER 5 -30.932 16.566 1.098 18 HA SER 5 HA SER 5 -29.554 16.932 -1.448 19 HB2 SER 5 1HB SER 5 -27.597 17.702 0.009 20 HB3 SER 5 2HB SER 5 -28.968 18.791 -0.067 21 HG SER 5 HG SER 5 -28.642 16.832 2.037 22 H SER 6 H SER 6 -28.110 15.315 -2.078 23 HA SER 6 HA SER 6 -27.994 13.047 -0.277 24 HB2 SER 6 1HB SER 6 -28.690 13.076 -2.871 25 HB3 SER 6 2HB SER 6 -26.959 12.942 -3.104 26 HG SER 6 HG SER 6 -27.149 10.863 -2.673 27 H GLY 7 H GLY 7 -25.844 14.846 -2.608 28 HA2 GLY 7 1HA GLY 7 -23.801 15.779 -1.575 29 HA3 GLY 7 2HA GLY 7 -23.572 14.215 -0.818 30 H HIS 8 H HIS 8 -21.843 13.236 -1.793 31 HA HIS 8 HA HIS 8 -20.797 13.764 -4.208 32 HB2 HIS 8 1HB HIS 8 -20.724 11.519 -2.317 33 HB3 HIS 8 2HB HIS 8 -20.368 11.041 -3.965 34 HD1 HIS 8 1HD HIS 8 -18.450 11.563 -1.243 35 HD2 HIS 8 2HD HIS 8 -18.529 13.604 -4.906 36 HE1 HIS 8 1HE HIS 8 -16.170 12.682 -1.487 37 H SER 9 H SER 9 -20.742 12.319 -6.237 38 HA SER 9 HA SER 9 -23.463 11.424 -6.786 39 HB2 SER 9 1HB SER 9 -22.864 13.625 -7.887 40 HB3 SER 9 2HB SER 9 -21.586 12.800 -8.757 41 HG SER 9 HG SER 9 -24.298 11.839 -8.881 42 H HIS 10 H HIS 10 -23.461 9.926 -8.860 43 HA HIS 10 HA HIS 10 -21.573 7.864 -8.317 44 HB2 HIS 10 1HB HIS 10 -23.975 8.206 -10.070 45 HB3 HIS 10 2HB HIS 10 -22.851 6.914 -10.445 46 HD1 HIS 10 1HD HIS 10 -22.245 5.371 -8.132 47 HD2 HIS 10 2HD HIS 10 -25.901 7.420 -8.312 48 HE1 HIS 10 1HE HIS 10 -23.781 4.243 -6.436 49 H SER 11 H SER 11 -19.895 7.085 -9.660 50 HA SER 11 HA SER 11 -19.446 8.066 -12.213 51 HB2 SER 11 1HB SER 11 -18.785 10.006 -10.374 52 HB3 SER 11 2HB SER 11 -17.255 9.164 -10.519 53 HG SER 11 HG SER 11 -17.526 9.411 -12.913 54 H ASP 12 H ASP 12 -19.337 5.622 -12.083 55 HA ASP 12 HA ASP 12 -16.654 4.831 -11.257 56 HB2 ASP 12 1HB ASP 12 -17.605 2.550 -10.851 57 HB3 ASP 12 2HB ASP 12 -18.296 3.766 -9.795 58 H LYS 13 H LYS 13 -16.180 5.522 -13.595 59 HA LYS 13 HA LYS 13 -17.431 4.096 -15.711 60 HB2 LYS 13 1HB LYS 13 -15.048 5.942 -15.517 61 HB3 LYS 13 2HB LYS 13 -15.469 5.137 -17.015 62 HG2 LYS 13 1HG LYS 13 -17.934 6.130 -16.199 63 HG3 LYS 13 2HG LYS 13 -16.843 7.374 -15.622 64 HD2 LYS 13 1HD LYS 13 -17.035 8.181 -17.762 65 HD3 LYS 13 2HD LYS 13 -15.795 6.994 -18.115 66 HE2 LYS 13 1HE LYS 13 -17.904 5.358 -18.400 67 HE3 LYS 13 2HE LYS 13 -18.762 6.862 -18.671 68 HZ1 LYS 13 1HZ LYS 13 -17.900 5.964 -20.709 69 HZ2 LYS 13 2HZ LYS 13 -17.172 7.392 -20.392 70 HZ3 LYS 13 3HZ LYS 13 -16.369 5.992 -20.139 71 H HIS 14 H HIS 14 -13.976 4.141 -16.001 72 HA HIS 14 HA HIS 14 -14.016 1.236 -15.916 73 HB2 HIS 14 1HB HIS 14 -11.771 2.989 -16.919 74 HB3 HIS 14 2HB HIS 14 -12.072 1.300 -17.276 75 HD1 HIS 14 1HD HIS 14 -13.730 0.740 -19.167 76 HD2 HIS 14 2HD HIS 14 -13.467 4.839 -18.318 77 HE1 HIS 14 1HE HIS 14 -14.954 1.942 -21.057 78 HA PRO 15 HA PRO 15 -11.784 1.209 -12.205 79 HB2 PRO 15 1HB PRO 15 -10.843 -1.357 -12.223 80 HB3 PRO 15 2HB PRO 15 -12.472 -0.937 -11.731 81 HG2 PRO 15 1HG PRO 15 -11.561 -2.190 -14.249 82 HG3 PRO 15 2HG PRO 15 -13.173 -2.151 -13.563 83 HD2 PRO 15 1HD PRO 15 -12.196 -0.562 -15.742 84 HD3 PRO 15 2HD PRO 15 -13.769 -0.442 -14.981 85 H VAL 16 H VAL 16 -10.128 0.050 -15.064 86 HA VAL 16 HA VAL 16 -7.627 0.954 -13.836 87 HB VAL 16 HB VAL 16 -8.061 -0.738 -16.303 88 HG11 VAL 16 1HG1 VAL 16 -5.581 -0.316 -14.601 89 HG12 VAL 16 2HG1 VAL 16 -5.708 -1.311 -16.071 90 HG13 VAL 16 3HG1 VAL 16 -5.892 0.456 -16.174 91 HG21 VAL 16 1HG2 VAL 16 -8.871 -1.635 -13.970 92 HG22 VAL 16 2HG2 VAL 16 -7.916 -2.678 -15.051 93 HG23 VAL 16 3HG2 VAL 16 -7.130 -1.865 -13.677 94 H THR 17 H THR 17 -6.509 2.693 -14.654 95 HA THR 17 HA THR 17 -7.234 3.719 -17.270 96 HB THR 17 HB THR 17 -7.405 6.050 -15.862 97 HG1 THR 17 1HG THR 17 -8.589 5.432 -13.884 98 HG21 THR 17 1HG2 THR 17 -9.682 4.020 -16.160 99 HG22 THR 17 2HG2 THR 17 -9.894 5.754 -15.818 100 HG23 THR 17 3HG2 THR 17 -9.210 5.231 -17.376 101 H TRP 18 H TRP 18 -5.465 4.357 -18.337 102 HA TRP 18 HA TRP 18 -3.126 5.034 -16.685 103 HB2 TRP 18 1HB TRP 18 -3.277 3.385 -19.208 104 HB3 TRP 18 2HB TRP 18 -1.786 4.084 -18.609 105 HD1 TRP 18 HD TRP 18 -4.278 1.273 -17.815 106 HE1 TRP 18 1HE TRP 18 -3.305 -0.403 -16.024 107 HE3 TRP 18 3HE TRP 18 -0.182 4.058 -16.663 108 HZ2 TRP 18 2HZ TRP 18 -0.984 -0.377 -14.364 109 HZ3 TRP 18 3HZ TRP 18 1.387 3.160 -14.946 110 HH2 TRP 18 HH TRP 18 1.039 1.023 -13.811 111 H GLN 19 H GLN 19 -2.900 7.230 -16.860 112 HA GLN 19 HA GLN 19 -2.991 8.297 -19.556 113 HB2 GLN 19 1HB GLN 19 -4.144 9.971 -17.331 114 HB3 GLN 19 2HB GLN 19 -4.469 10.042 -19.052 115 HG2 GLN 19 1HG GLN 19 -6.428 9.022 -18.287 116 HG3 GLN 19 2HG GLN 19 -5.471 7.612 -18.698 117 HE21 GLN 19 1HE2 GLN 19 -6.762 9.601 -16.157 118 HE22 GLN 19 2HE2 GLN 19 -6.467 8.536 -14.823 119 HA PRO 20 HA PRO 20 0.593 10.343 -18.218 120 HB2 PRO 20 1HB PRO 20 0.718 12.469 -19.931 121 HB3 PRO 20 2HB PRO 20 1.215 10.848 -20.377 122 HG2 PRO 20 1HG PRO 20 -1.237 12.312 -21.142 123 HG3 PRO 20 2HG PRO 20 -0.523 10.899 -21.893 124 HD2 PRO 20 1HD PRO 20 -2.817 10.953 -20.171 125 HD3 PRO 20 2HD PRO 20 -2.033 9.530 -20.828 126 H SER 21 H SER 21 1.606 12.251 -17.224 127 HA SER 21 HA SER 21 -0.179 13.259 -15.347 128 HB2 SER 21 1HB SER 21 1.687 14.409 -14.444 129 HB3 SER 21 2HB SER 21 2.381 12.981 -15.185 130 HG SER 21 HG SER 21 2.909 14.290 -17.070 131 H LYS 22 H LYS 22 -0.079 15.883 -14.967 132 HA LYS 22 HA LYS 22 -1.787 17.013 -16.737 133 HB2 LYS 22 1HB LYS 22 -1.097 17.822 -14.439 134 HB3 LYS 22 2HB LYS 22 0.313 18.547 -15.185 135 HG2 LYS 22 1HG LYS 22 -0.929 20.348 -15.770 136 HG3 LYS 22 2HG LYS 22 -1.922 19.327 -16.791 137 HD2 LYS 22 1HD LYS 22 -3.555 18.995 -15.114 138 HD3 LYS 22 2HD LYS 22 -2.441 19.354 -13.809 139 HE2 LYS 22 1HE LYS 22 -2.439 21.740 -15.256 140 HE3 LYS 22 2HE LYS 22 -4.097 21.203 -15.433 141 HZ1 LYS 22 1HZ LYS 22 -2.681 21.440 -12.869 142 HZ2 LYS 22 2HZ LYS 22 -3.768 22.513 -13.447 143 HZ3 LYS 22 3HZ LYS 22 -4.242 21.000 -13.057 144 H ASP 23 H ASP 23 1.827 17.368 -16.730 145 HA ASP 23 HA ASP 23 1.834 18.884 -19.068 146 HB2 ASP 23 1HB ASP 23 3.901 17.263 -17.552 147 HB3 ASP 23 2HB ASP 23 4.321 17.954 -19.107 148 H GLY 24 H GLY 24 3.663 15.786 -18.807 149 HA2 GLY 24 1HA GLY 24 2.282 14.001 -20.254 150 HA3 GLY 24 2HA GLY 24 2.888 15.065 -21.508 151 H ASP 25 H ASP 25 4.426 14.098 -18.371 152 HA ASP 25 HA ASP 25 6.577 12.976 -19.990 153 HB2 ASP 25 1HB ASP 25 6.595 14.492 -17.354 154 HB3 ASP 25 2HB ASP 25 7.941 13.459 -17.796 155 H ARG 26 H ARG 26 4.753 12.873 -16.852 156 HA ARG 26 HA ARG 26 5.730 10.193 -16.423 157 HB2 ARG 26 1HB ARG 26 4.405 12.306 -14.728 158 HB3 ARG 26 2HB ARG 26 4.150 10.636 -14.259 159 HG2 ARG 26 1HG ARG 26 6.974 11.194 -14.922 160 HG3 ARG 26 2HG ARG 26 6.385 12.208 -13.620 161 HD2 ARG 26 1HD ARG 26 5.343 9.751 -12.885 162 HD3 ARG 26 2HD ARG 26 6.831 9.260 -13.670 163 HE ARG 26 HE ARG 26 7.270 11.485 -11.847 164 HH11 ARG 26 2HH2 ARG 26 6.872 7.992 -11.998 165 HH12 ARG 26 1HH2 ARG 26 7.744 7.701 -10.530 166 HH21 ARG 26 2HH1 ARG 26 8.420 11.102 -9.910 167 HH22 ARG 26 1HH1 ARG 26 8.630 9.482 -9.334 168 H LEU 27 H LEU 27 4.319 8.352 -16.299 169 HA LEU 27 HA LEU 27 1.665 8.855 -17.439 170 HB2 LEU 27 1HB LEU 27 3.582 7.361 -18.504 171 HB3 LEU 27 2HB LEU 27 2.927 6.155 -17.414 172 HG LEU 27 HG LEU 27 1.384 5.669 -18.928 173 HD11 LEU 27 1HD1 LEU 27 0.365 8.508 -18.957 174 HD12 LEU 27 2HD1 LEU 27 -0.540 6.990 -19.164 175 HD13 LEU 27 3HD1 LEU 27 0.117 7.424 -17.568 176 HD21 LEU 27 1HD2 LEU 27 1.815 6.196 -21.054 177 HD22 LEU 27 2HD2 LEU 27 1.567 7.936 -20.771 178 HD23 LEU 27 3HD2 LEU 27 3.142 7.190 -20.406 179 H ILE 28 H ILE 28 0.209 9.073 -15.806 180 HA ILE 28 HA ILE 28 0.574 7.509 -13.401 181 HB ILE 28 HB ILE 28 -1.692 9.384 -14.030 182 HG12 ILE 28 1HG1 ILE 28 0.179 10.718 -14.560 183 HG13 ILE 28 2HG1 ILE 28 -0.267 11.153 -12.922 184 HG21 ILE 28 1HG2 ILE 28 -1.851 7.932 -12.025 185 HG22 ILE 28 2HG2 ILE 28 -0.349 8.664 -11.411 186 HG23 ILE 28 3HG2 ILE 28 -1.801 9.669 -11.638 187 HD11 ILE 28 1HD1 ILE 28 2.221 10.816 -13.266 188 HD12 ILE 28 2HD1 ILE 28 1.525 9.797 -11.984 189 HD13 ILE 28 3HD1 ILE 28 1.888 9.095 -13.579 190 H GLY 29 H GLY 29 -0.549 5.684 -12.849 191 HA2 GLY 29 1HA GLY 29 -2.710 4.860 -14.694 192 HA3 GLY 29 2HA GLY 29 -1.460 3.761 -14.149 193 H ARG 30 H ARG 30 -4.483 3.794 -13.738 194 HA ARG 30 HA ARG 30 -4.388 3.781 -10.827 195 HB2 ARG 30 1HB ARG 30 -6.202 5.122 -12.619 196 HB3 ARG 30 2HB ARG 30 -7.115 3.856 -11.823 197 HG2 ARG 30 1HG ARG 30 -5.658 4.910 -9.705 198 HG3 ARG 30 2HG ARG 30 -5.937 6.336 -10.685 199 HD2 ARG 30 1HD ARG 30 -8.438 5.128 -10.747 200 HD3 ARG 30 2HD ARG 30 -7.881 4.694 -9.143 201 HE ARG 30 HE ARG 30 -8.095 6.930 -8.495 202 HH11 ARG 30 2HH2 ARG 30 -7.968 6.768 -12.008 203 HH12 ARG 30 1HH2 ARG 30 -8.311 8.452 -12.226 204 HH21 ARG 30 2HH1 ARG 30 -8.547 9.152 -8.782 205 HH22 ARG 30 1HH1 ARG 30 -8.642 9.817 -10.378 206 H ILE 31 H ILE 31 -5.446 1.980 -9.748 207 HA ILE 31 HA ILE 31 -6.462 -0.121 -11.495 208 HB ILE 31 HB ILE 31 -4.096 -0.338 -9.657 209 HG12 ILE 31 1HG1 ILE 31 -3.494 -1.817 -11.810 210 HG13 ILE 31 2HG1 ILE 31 -4.650 -0.736 -12.562 211 HG21 ILE 31 1HG2 ILE 31 -6.088 -2.465 -10.388 212 HG22 ILE 31 2HG2 ILE 31 -4.372 -2.876 -10.151 213 HG23 ILE 31 3HG2 ILE 31 -5.300 -2.131 -8.827 214 HD11 ILE 31 1HD1 ILE 31 -2.690 0.609 -10.766 215 HD12 ILE 31 2HD1 ILE 31 -1.994 -0.142 -12.222 216 HD13 ILE 31 3HD1 ILE 31 -3.271 1.088 -12.378 217 H LEU 32 H LEU 32 -8.518 -0.339 -10.786 218 HA LEU 32 HA LEU 32 -8.952 -0.112 -7.897 219 HB2 LEU 32 1HB LEU 32 -10.213 1.479 -9.129 220 HB3 LEU 32 2HB LEU 32 -10.757 0.274 -10.279 221 HG LEU 32 HG LEU 32 -11.828 -0.829 -8.111 222 HD11 LEU 32 1HD1 LEU 32 -10.711 1.202 -6.813 223 HD12 LEU 32 2HD1 LEU 32 -12.225 2.010 -7.286 224 HD13 LEU 32 3HD1 LEU 32 -12.278 0.512 -6.326 225 HD21 LEU 32 1HD2 LEU 32 -13.477 1.454 -8.907 226 HD22 LEU 32 2HD2 LEU 32 -12.763 0.584 -10.286 227 HD23 LEU 32 3HD2 LEU 32 -13.757 -0.294 -9.098 228 H LEU 33 H LEU 33 -9.091 -1.980 -6.789 229 HA LEU 33 HA LEU 33 -9.800 -4.376 -8.306 230 HB2 LEU 33 1HB LEU 33 -8.389 -3.964 -5.671 231 HB3 LEU 33 2HB LEU 33 -8.895 -5.535 -6.260 232 HG LEU 33 HG LEU 33 -6.802 -5.626 -7.069 233 HD11 LEU 33 1HD1 LEU 33 -7.837 -3.735 -9.194 234 HD12 LEU 33 2HD1 LEU 33 -6.587 -4.990 -9.366 235 HD13 LEU 33 3HD1 LEU 33 -8.280 -5.455 -9.076 236 HD21 LEU 33 1HD2 LEU 33 -5.378 -3.655 -7.557 237 HD22 LEU 33 2HD2 LEU 33 -6.744 -2.598 -7.127 238 HD23 LEU 33 3HD2 LEU 33 -6.025 -3.667 -5.899 239 H ASN 34 H ASN 34 -11.531 -5.714 -7.704 240 HA ASN 34 HA ASN 34 -13.145 -4.708 -5.512 241 HB2 ASN 34 1HB ASN 34 -14.140 -3.810 -7.609 242 HB3 ASN 34 2HB ASN 34 -14.155 -5.412 -8.317 243 HD21 ASN 34 1HD2 ASN 34 -15.826 -3.134 -6.496 244 HD22 ASN 34 2HD2 ASN 34 -17.161 -4.096 -5.954 245 H LYS 35 H LYS 35 -13.521 -6.457 -4.142 246 HA LYS 35 HA LYS 35 -13.384 -9.130 -5.343 247 HB2 LYS 35 1HB LYS 35 -12.661 -9.939 -3.204 248 HB3 LYS 35 2HB LYS 35 -11.656 -8.575 -3.649 249 HG2 LYS 35 1HG LYS 35 -14.102 -7.861 -2.097 250 HG3 LYS 35 2HG LYS 35 -12.941 -8.840 -1.221 251 HD2 LYS 35 1HD LYS 35 -12.244 -6.257 -2.698 252 HD3 LYS 35 2HD LYS 35 -12.559 -6.354 -0.977 253 HE2 LYS 35 1HE LYS 35 -10.542 -7.408 -0.516 254 HE3 LYS 35 2HE LYS 35 -10.523 -8.282 -2.035 255 HZ1 LYS 35 1HZ LYS 35 -9.031 -6.164 -1.546 256 HZ2 LYS 35 2HZ LYS 35 -9.483 -6.606 -3.051 257 HZ3 LYS 35 3HZ LYS 35 -10.298 -5.429 -2.266 258 H ARG 36 H ARG 36 -15.538 -6.752 -4.288 259 HA ARG 36 HA ARG 36 -17.312 -8.021 -2.714 260 HB2 ARG 36 1HB ARG 36 -17.424 -5.838 -4.736 261 HB3 ARG 36 2HB ARG 36 -18.974 -6.602 -4.444 262 HG2 ARG 36 1HG ARG 36 -18.668 -6.241 -1.974 263 HG3 ARG 36 2HG ARG 36 -17.144 -5.437 -2.292 264 HD2 ARG 36 1HD ARG 36 -18.406 -3.525 -2.362 265 HD3 ARG 36 2HD ARG 36 -18.807 -4.038 -3.989 266 HE ARG 36 HE ARG 36 -20.555 -5.277 -2.022 267 HH11 ARG 36 2HH2 ARG 36 -20.003 -2.315 -3.839 268 HH12 ARG 36 1HH2 ARG 36 -21.658 -1.809 -3.763 269 HH21 ARG 36 2HH1 ARG 36 -22.738 -4.610 -1.921 270 HH22 ARG 36 1HH1 ARG 36 -23.224 -3.123 -2.665 271 H LEU 37 H LEU 37 -18.450 -9.921 -2.937 272 HA LEU 37 HA LEU 37 -18.388 -11.518 -5.141 273 HB2 LEU 37 1HB LEU 37 -20.411 -11.303 -2.916 274 HB3 LEU 37 2HB LEU 37 -20.453 -12.575 -4.120 275 HG LEU 37 HG LEU 37 -18.023 -12.069 -2.396 276 HD11 LEU 37 1HD1 LEU 37 -19.311 -14.353 -1.422 277 HD12 LEU 37 2HD1 LEU 37 -19.147 -12.774 -0.615 278 HD13 LEU 37 3HD1 LEU 37 -20.594 -13.130 -1.589 279 HD21 LEU 37 1HD2 LEU 37 -18.608 -13.831 -4.580 280 HD22 LEU 37 2HD2 LEU 37 -17.097 -13.637 -3.658 281 HD23 LEU 37 3HD2 LEU 37 -18.335 -14.791 -3.106 282 H LYS 38 H LYS 38 -20.528 -12.272 -6.359 283 HA LYS 38 HA LYS 38 -21.203 -10.131 -8.044 284 HB2 LYS 38 1HB LYS 38 -21.258 -12.874 -8.195 285 HB3 LYS 38 2HB LYS 38 -22.965 -12.495 -8.091 286 HG2 LYS 38 1HG LYS 38 -22.219 -10.590 -9.889 287 HG3 LYS 38 2HG LYS 38 -20.987 -11.787 -10.235 288 HD2 LYS 38 1HD LYS 38 -22.501 -12.922 -11.482 289 HD3 LYS 38 2HD LYS 38 -23.397 -13.269 -10.017 290 HE2 LYS 38 1HE LYS 38 -25.094 -11.958 -10.754 291 HE3 LYS 38 2HE LYS 38 -24.030 -10.566 -10.711 292 HZ1 LYS 38 1HZ LYS 38 -23.454 -10.878 -12.914 293 HZ2 LYS 38 2HZ LYS 38 -23.976 -12.424 -12.968 294 HZ3 LYS 38 3HZ LYS 38 -25.055 -11.199 -12.909 295 H ASP 39 H ASP 39 -22.458 -11.247 -4.985 296 HA ASP 39 HA ASP 39 -24.953 -9.864 -5.462 297 HB2 ASP 39 1HB ASP 39 -23.919 -11.846 -3.452 298 HB3 ASP 39 2HB ASP 39 -25.148 -10.731 -2.889 299 H GLY 40 H GLY 40 -22.326 -8.440 -5.263 300 HA2 GLY 40 1HA GLY 40 -21.304 -6.759 -4.162 301 HA3 GLY 40 2HA GLY 40 -22.934 -6.251 -3.765 302 H SER 41 H SER 41 -20.667 -8.908 -2.723 303 HA SER 41 HA SER 41 -20.781 -7.887 -0.055 304 HB2 SER 41 1HB SER 41 -21.364 -10.404 0.672 305 HB3 SER 41 2HB SER 41 -22.614 -9.205 0.410 306 HG SER 41 HG SER 41 -22.493 -10.064 -1.949 307 H VAL 42 H VAL 42 -18.760 -8.165 0.846 308 HA VAL 42 HA VAL 42 -16.856 -9.738 -0.634 309 HB VAL 42 HB VAL 42 -16.647 -7.977 1.815 310 HG11 VAL 42 1HG1 VAL 42 -14.194 -8.614 0.295 311 HG12 VAL 42 2HG1 VAL 42 -14.457 -8.474 2.050 312 HG13 VAL 42 3HG1 VAL 42 -14.891 -9.978 1.201 313 HG21 VAL 42 1HG2 VAL 42 -16.414 -6.240 0.428 314 HG22 VAL 42 2HG2 VAL 42 -15.227 -7.111 -0.573 315 HG23 VAL 42 3HG2 VAL 42 -16.968 -7.309 -0.883 316 HA PRO 43 HA PRO 43 -17.304 -13.212 1.927 317 HB2 PRO 43 1HB PRO 43 -15.204 -14.690 0.993 318 HB3 PRO 43 2HB PRO 43 -16.765 -14.635 0.199 319 HG2 PRO 43 1HG PRO 43 -14.236 -13.326 -0.593 320 HG3 PRO 43 2HG PRO 43 -15.662 -13.637 -1.563 321 HD2 PRO 43 1HD PRO 43 -14.873 -11.123 -0.428 322 HD3 PRO 43 2HD PRO 43 -16.356 -11.461 -1.299 323 H ARG 44 H ARG 44 -16.051 -14.669 3.479 324 HA ARG 44 HA ARG 44 -15.159 -13.210 5.487 325 HB2 ARG 44 1HB ARG 44 -14.392 -15.983 4.535 326 HB3 ARG 44 2HB ARG 44 -13.583 -15.328 5.945 327 HG2 ARG 44 1HG ARG 44 -15.368 -15.890 7.219 328 HG3 ARG 44 2HG ARG 44 -16.364 -14.774 6.305 329 HD2 ARG 44 1HD ARG 44 -15.868 -17.288 4.832 330 HD3 ARG 44 2HD ARG 44 -16.653 -17.568 6.374 331 HE ARG 44 HE ARG 44 -17.919 -15.359 5.013 332 HH11 ARG 44 2HH2 ARG 44 -17.674 -18.869 4.949 333 HH12 ARG 44 1HH2 ARG 44 -19.229 -19.092 4.221 334 HH21 ARG 44 2HH1 ARG 44 -19.972 -15.653 4.052 335 HH22 ARG 44 1HH1 ARG 44 -20.545 -17.251 3.707 336 H ASP 45 H ASP 45 -13.298 -14.186 2.585 337 HA ASP 45 HA ASP 45 -11.519 -12.082 2.890 338 HB2 ASP 45 1HB ASP 45 -9.441 -13.715 3.082 339 HB3 ASP 45 2HB ASP 45 -10.242 -13.140 4.531 340 H SER 46 H SER 46 -11.595 -11.704 0.653 341 HA SER 46 HA SER 46 -11.522 -13.973 -1.109 342 HB2 SER 46 1HB SER 46 -12.937 -11.699 -1.264 343 HB3 SER 46 2HB SER 46 -11.505 -11.125 -2.095 344 HG SER 46 HG SER 46 -13.384 -13.114 -2.879 345 H GLY 47 H GLY 47 -9.697 -10.858 -0.629 346 HA2 GLY 47 1HA GLY 47 -7.171 -12.121 -0.988 347 HA3 GLY 47 2HA GLY 47 -7.662 -11.282 -2.445 348 H ALA 48 H ALA 48 -7.291 -10.836 1.129 349 HA ALA 48 HA ALA 48 -7.584 -8.114 1.249 350 HB1 ALA 48 1HB ALA 48 -7.115 -8.570 3.398 351 HB2 ALA 48 2HB ALA 48 -6.724 -10.239 2.916 352 HB3 ALA 48 3HB ALA 48 -5.441 -9.007 2.981 353 H MET 49 H MET 49 -4.710 -10.081 0.321 354 HA MET 49 HA MET 49 -3.136 -7.718 0.014 355 HB2 MET 49 1HB MET 49 -2.754 -10.612 0.153 356 HB3 MET 49 2HB MET 49 -1.933 -10.003 -1.270 357 HG2 MET 49 1HG MET 49 -1.489 -8.268 1.074 358 HG3 MET 49 2HG MET 49 -0.967 -9.914 1.374 359 HE1 MET 49 1HE MET 49 0.252 -6.531 -0.445 360 HE2 MET 49 2HE MET 49 0.408 -7.168 1.210 361 HE3 MET 49 3HE MET 49 1.813 -7.175 0.118 362 H LEU 50 H LEU 50 -5.688 -8.687 -1.710 363 HA LEU 50 HA LEU 50 -6.405 -8.297 -3.763 364 HB2 LEU 50 1HB LEU 50 -3.773 -6.849 -4.079 365 HB3 LEU 50 2HB LEU 50 -5.051 -6.845 -5.278 366 HG LEU 50 HG LEU 50 -4.889 -4.828 -3.737 367 HD11 LEU 50 1HD1 LEU 50 -7.045 -6.028 -4.982 368 HD12 LEU 50 2HD1 LEU 50 -7.642 -5.719 -3.334 369 HD13 LEU 50 3HD1 LEU 50 -6.996 -4.380 -4.313 370 HD21 LEU 50 1HD2 LEU 50 -4.519 -6.195 -1.663 371 HD22 LEU 50 2HD2 LEU 50 -5.775 -4.941 -1.527 372 HD23 LEU 50 3HD2 LEU 50 -6.239 -6.648 -1.730 373 H GLY 51 H GLY 51 -2.841 -8.913 -4.175 374 HA2 GLY 51 1HA GLY 51 -3.034 -11.562 -4.940 375 HA3 GLY 51 2HA GLY 51 -3.253 -10.627 -6.406 376 H LEU 52 H LEU 52 -1.579 -8.337 -5.622 377 HA LEU 52 HA LEU 52 1.005 -9.634 -6.015 378 HB2 LEU 52 1HB LEU 52 1.624 -7.850 -7.239 379 HB3 LEU 52 2HB LEU 52 -0.107 -7.767 -7.497 380 HG LEU 52 HG LEU 52 0.705 -5.556 -7.097 381 HD11 LEU 52 1HD1 LEU 52 -1.450 -5.816 -6.195 382 HD12 LEU 52 2HD1 LEU 52 -0.848 -6.718 -4.784 383 HD13 LEU 52 3HD1 LEU 52 -0.517 -4.975 -4.934 384 HD21 LEU 52 1HD2 LEU 52 1.663 -6.075 -4.331 385 HD22 LEU 52 2HD2 LEU 52 2.706 -6.615 -5.668 386 HD23 LEU 52 3HD2 LEU 52 2.226 -4.905 -5.548 387 H LYS 53 H LYS 53 2.926 -8.598 -4.897 388 HA LYS 53 HA LYS 53 2.126 -7.943 -2.150 389 HB2 LYS 53 1HB LYS 53 3.649 -10.040 -2.991 390 HB3 LYS 53 2HB LYS 53 4.895 -8.847 -2.689 391 HG2 LYS 53 1HG LYS 53 3.065 -8.643 -0.503 392 HG3 LYS 53 2HG LYS 53 3.309 -10.358 -0.769 393 HD2 LYS 53 1HD LYS 53 5.490 -10.289 -0.066 394 HD3 LYS 53 2HD LYS 53 5.822 -8.795 -0.919 395 HE2 LYS 53 1HE LYS 53 5.876 -7.855 1.166 396 HE3 LYS 53 2HE LYS 53 4.128 -7.876 1.051 397 HZ1 LYS 53 1HZ LYS 53 5.833 -9.901 2.316 398 HZ2 LYS 53 2HZ LYS 53 4.731 -8.937 3.039 399 HZ3 LYS 53 3HZ LYS 53 4.240 -10.131 2.039 400 H VAL 54 H VAL 54 2.519 -5.921 -1.420 401 HA VAL 54 HA VAL 54 4.295 -4.271 -3.070 402 HB VAL 54 HB VAL 54 1.977 -3.601 -1.252 403 HG11 VAL 54 1HG1 VAL 54 4.181 -1.903 -2.306 404 HG12 VAL 54 2HG1 VAL 54 2.534 -1.243 -2.435 405 HG13 VAL 54 3HG1 VAL 54 3.181 -1.715 -0.846 406 HG21 VAL 54 1HG2 VAL 54 1.061 -2.620 -3.392 407 HG22 VAL 54 2HG2 VAL 54 2.406 -3.412 -4.248 408 HG23 VAL 54 3HG2 VAL 54 1.208 -4.394 -3.372 409 H VAL 55 H VAL 55 6.082 -3.274 -2.168 410 HA VAL 55 HA VAL 55 6.477 -3.770 0.701 411 HB VAL 55 HB VAL 55 8.225 -4.280 -1.661 412 HG11 VAL 55 1HG1 VAL 55 10.124 -4.370 0.205 413 HG12 VAL 55 2HG1 VAL 55 9.785 -2.889 -0.722 414 HG13 VAL 55 3HG1 VAL 55 9.132 -3.078 0.923 415 HG21 VAL 55 1HG2 VAL 55 8.126 -6.377 -0.904 416 HG22 VAL 55 2HG2 VAL 55 8.701 -5.879 0.705 417 HG23 VAL 55 3HG2 VAL 55 6.963 -5.825 0.325 418 H GLY 56 H GLY 56 6.371 -1.863 1.761 419 HA2 GLY 56 1HA GLY 56 7.221 0.563 0.319 420 HA3 GLY 56 2HA GLY 56 6.125 0.492 1.685 421 H GLY 57 H GLY 57 7.870 2.295 2.244 422 HA2 GLY 57 1HA GLY 57 9.435 2.930 3.730 423 HA3 GLY 57 2HA GLY 57 9.409 1.308 4.393 424 H LYS 58 H LYS 58 9.977 1.201 1.009 425 HA LYS 58 HA LYS 58 12.614 0.259 1.397 426 HB2 LYS 58 1HB LYS 58 10.847 -0.379 -0.391 427 HB3 LYS 58 2HB LYS 58 11.417 1.031 -1.262 428 HG2 LYS 58 1HG LYS 58 13.766 -0.340 -0.404 429 HG3 LYS 58 2HG LYS 58 12.679 -1.586 -0.982 430 HD2 LYS 58 1HD LYS 58 12.770 0.816 -2.728 431 HD3 LYS 58 2HD LYS 58 14.309 -0.010 -2.591 432 HE2 LYS 58 1HE LYS 58 12.003 -1.846 -2.973 433 HE3 LYS 58 2HE LYS 58 12.252 -0.742 -4.310 434 HZ1 LYS 58 1HZ LYS 58 14.715 -1.754 -3.464 435 HZ2 LYS 58 2HZ LYS 58 13.695 -3.002 -3.730 436 HZ3 LYS 58 3HZ LYS 58 13.989 -1.921 -4.918 437 H MET 59 H MET 59 14.488 1.370 1.541 438 HA MET 59 HA MET 59 14.365 4.200 1.224 439 HB2 MET 59 1HB MET 59 15.783 2.483 2.848 440 HB3 MET 59 2HB MET 59 16.990 2.775 1.611 441 HG2 MET 59 1HG MET 59 17.435 4.528 3.111 442 HG3 MET 59 2HG MET 59 16.382 5.325 1.959 443 HE1 MET 59 1HE MET 59 15.197 7.221 4.524 444 HE2 MET 59 2HE MET 59 15.475 6.922 2.791 445 HE3 MET 59 3HE MET 59 13.844 6.731 3.477 446 H THR 60 H THR 60 14.499 5.113 -0.783 447 HA THR 60 HA THR 60 15.689 3.723 -2.968 448 HB THR 60 HB THR 60 15.118 5.910 -4.132 449 HG1 THR 60 1HG THR 60 13.997 7.425 -2.593 450 HG21 THR 60 1HG2 THR 60 12.707 5.797 -3.831 451 HG22 THR 60 2HG2 THR 60 13.311 4.131 -3.671 452 HG23 THR 60 3HG2 THR 60 12.886 5.067 -2.218 453 H GLU 61 H GLU 61 17.052 5.763 -4.353 454 HA GLU 61 HA GLU 61 19.516 5.647 -2.852 455 HB2 GLU 61 1HB GLU 61 20.463 6.469 -5.127 456 HB3 GLU 61 2HB GLU 61 19.832 4.836 -5.046 457 HG2 GLU 61 1HG GLU 61 17.979 5.327 -6.355 458 HG3 GLU 61 2HG GLU 61 17.848 6.967 -5.753 459 H SER 62 H SER 62 16.960 7.704 -2.945 460 HA SER 62 HA SER 62 18.662 10.069 -2.947 461 HB2 SER 62 1HB SER 62 16.272 9.597 -4.304 462 HB3 SER 62 2HB SER 62 15.737 10.504 -2.903 463 HG SER 62 HG SER 62 16.737 12.288 -3.612 464 H GLY 63 H GLY 63 17.607 7.806 -0.856 465 HA2 GLY 63 1HA GLY 63 17.552 7.837 1.413 466 HA3 GLY 63 2HA GLY 63 17.684 9.584 1.402 467 H ARG 64 H ARG 64 15.215 8.474 -0.741 468 HA ARG 64 HA ARG 64 13.258 9.270 1.243 469 HB2 ARG 64 1HB ARG 64 13.557 9.642 -1.663 470 HB3 ARG 64 2HB ARG 64 11.971 9.008 -1.269 471 HG2 ARG 64 1HG ARG 64 13.061 11.301 0.375 472 HG3 ARG 64 2HG ARG 64 12.450 11.639 -1.232 473 HD2 ARG 64 1HD ARG 64 10.511 9.928 -0.032 474 HD3 ARG 64 2HD ARG 64 10.958 11.073 1.217 475 HE ARG 64 HE ARG 64 10.617 12.634 -1.083 476 HH11 ARG 64 2HH2 ARG 64 8.616 10.419 0.782 477 HH12 ARG 64 1HH2 ARG 64 7.132 11.217 0.378 478 HH21 ARG 64 2HH1 ARG 64 8.660 13.686 -1.617 479 HH22 ARG 64 1HH1 ARG 64 7.158 13.088 -0.996 480 H LEU 65 H LEU 65 10.985 8.107 0.857 481 HA LEU 65 HA LEU 65 11.554 5.245 0.509 482 HB2 LEU 65 1HB LEU 65 9.486 6.546 2.286 483 HB3 LEU 65 2HB LEU 65 9.779 4.826 2.119 484 HG LEU 65 HG LEU 65 11.824 6.799 3.170 485 HD11 LEU 65 1HD1 LEU 65 11.013 5.131 5.259 486 HD12 LEU 65 2HD1 LEU 65 10.652 6.862 5.056 487 HD13 LEU 65 3HD1 LEU 65 9.504 5.638 4.462 488 HD21 LEU 65 1HD2 LEU 65 11.821 3.862 2.673 489 HD22 LEU 65 2HD2 LEU 65 13.138 5.052 2.548 490 HD23 LEU 65 3HD2 LEU 65 12.630 4.452 4.145 491 H CYS 66 H CYS 66 10.052 3.975 -0.669 492 HA CYS 66 HA CYS 66 7.739 5.256 -1.762 493 HB2 CYS 66 1HB CYS 66 10.219 5.006 -3.368 494 HB3 CYS 66 2HB CYS 66 8.763 4.421 -4.149 495 HG CYS 66 HG CYS 66 8.176 6.582 -4.925 496 H ALA 67 H ALA 67 6.249 3.647 -2.548 497 HA ALA 67 HA ALA 67 6.990 0.947 -1.749 498 HB1 ALA 67 1HB ALA 67 4.273 1.161 -2.624 499 HB2 ALA 67 2HB ALA 67 4.886 0.951 -0.966 500 HB3 ALA 67 3HB ALA 67 4.637 2.586 -1.623 501 H PHE 68 H PHE 68 7.480 -0.626 -3.204 502 HA PHE 68 HA PHE 68 6.683 -0.124 -5.984 503 HB2 PHE 68 1HB PHE 68 9.234 -1.467 -4.911 504 HB3 PHE 68 2HB PHE 68 8.905 -1.098 -6.592 505 HD1 PHE 68 1HD PHE 68 8.697 1.363 -7.252 506 HD2 PHE 68 2HD PHE 68 10.309 0.098 -3.536 507 HE1 PHE 68 1HE PHE 68 9.827 3.589 -6.984 508 HE2 PHE 68 2HE PHE 68 11.439 2.323 -3.269 509 HZ PHE 68 HZ PHE 68 11.185 4.042 -4.996 510 H ILE 69 H ILE 69 6.073 -1.961 -7.218 511 HA ILE 69 HA ILE 69 5.018 -4.090 -5.663 512 HB ILE 69 HB ILE 69 5.192 -3.574 -8.629 513 HG12 ILE 69 1HG1 ILE 69 2.829 -3.428 -6.736 514 HG13 ILE 69 2HG1 ILE 69 3.784 -2.043 -7.228 515 HG21 ILE 69 1HG2 ILE 69 4.010 -5.485 -9.109 516 HG22 ILE 69 2HG2 ILE 69 5.067 -6.059 -7.796 517 HG23 ILE 69 3HG2 ILE 69 3.370 -5.643 -7.455 518 HD11 ILE 69 1HD1 ILE 69 1.571 -3.103 -8.593 519 HD12 ILE 69 2HD1 ILE 69 2.729 -1.913 -9.235 520 HD13 ILE 69 3HD1 ILE 69 2.970 -3.649 -9.548 521 H THR 70 H THR 70 5.903 -6.028 -5.133 522 HA THR 70 HA THR 70 8.605 -6.530 -6.121 523 HB THR 70 HB THR 70 8.716 -8.032 -4.167 524 HG1 THR 70 1HG THR 70 6.760 -8.858 -3.548 525 HG21 THR 70 1HG2 THR 70 7.137 -6.098 -2.684 526 HG22 THR 70 2HG2 THR 70 8.908 -6.262 -2.737 527 HG23 THR 70 3HG2 THR 70 8.072 -5.239 -3.931 528 H LYS 71 H LYS 71 5.465 -8.299 -5.710 529 HA LYS 71 HA LYS 71 6.067 -9.682 -8.189 530 HB2 LYS 71 1HB LYS 71 7.066 -11.049 -6.338 531 HB3 LYS 71 2HB LYS 71 5.465 -11.218 -5.646 532 HG2 LYS 71 1HG LYS 71 4.742 -12.667 -7.300 533 HG3 LYS 71 2HG LYS 71 5.669 -11.872 -8.557 534 HD2 LYS 71 1HD LYS 71 7.776 -12.847 -7.332 535 HD3 LYS 71 2HD LYS 71 6.640 -13.896 -6.507 536 HE2 LYS 71 1HE LYS 71 6.347 -15.209 -8.351 537 HE3 LYS 71 2HE LYS 71 6.129 -13.826 -9.405 538 HZ1 LYS 71 1HZ LYS 71 8.672 -14.992 -8.525 539 HZ2 LYS 71 2HZ LYS 71 8.091 -14.901 -10.048 540 HZ3 LYS 71 3HZ LYS 71 8.580 -13.546 -9.279 541 H VAL 72 H VAL 72 4.135 -10.721 -9.116 542 HA VAL 72 HA VAL 72 1.658 -9.729 -7.894 543 HB VAL 72 HB VAL 72 2.440 -9.597 -10.813 544 HG11 VAL 72 1HG1 VAL 72 0.228 -8.198 -10.835 545 HG12 VAL 72 2HG1 VAL 72 0.152 -9.975 -10.898 546 HG13 VAL 72 3HG1 VAL 72 -0.155 -9.125 -9.365 547 HG21 VAL 72 1HG2 VAL 72 1.672 -7.084 -9.588 548 HG22 VAL 72 2HG2 VAL 72 3.038 -7.822 -8.719 549 HG23 VAL 72 3HG2 VAL 72 3.159 -7.512 -10.467 550 H LYS 73 H LYS 73 0.305 -11.388 -7.465 551 HA LYS 73 HA LYS 73 0.898 -14.001 -8.240 552 HB2 LYS 73 1HB LYS 73 -0.367 -13.376 -6.217 553 HB3 LYS 73 2HB LYS 73 -1.703 -12.829 -7.210 554 HG2 LYS 73 1HG LYS 73 -2.338 -15.035 -6.639 555 HG3 LYS 73 2HG LYS 73 -1.677 -15.223 -8.251 556 HD2 LYS 73 1HD LYS 73 0.611 -15.553 -6.789 557 HD3 LYS 73 2HD LYS 73 -0.561 -16.129 -5.620 558 HE2 LYS 73 1HE LYS 73 -1.524 -17.604 -7.521 559 HE3 LYS 73 2HE LYS 73 -0.094 -17.183 -8.443 560 HZ1 LYS 73 1HZ LYS 73 -0.090 -19.244 -6.938 561 HZ2 LYS 73 2HZ LYS 73 1.245 -18.305 -7.000 562 HZ3 LYS 73 3HZ LYS 73 0.223 -18.190 -5.731 563 H LYS 74 H LYS 74 0.360 -15.241 -9.989 564 HA LYS 74 HA LYS 74 -0.820 -13.850 -12.211 565 HB2 LYS 74 1HB LYS 74 1.037 -15.157 -12.785 566 HB3 LYS 74 2HB LYS 74 0.519 -16.517 -11.809 567 HG2 LYS 74 1HG LYS 74 -0.708 -17.387 -13.514 568 HG3 LYS 74 2HG LYS 74 -1.530 -15.863 -13.790 569 HD2 LYS 74 1HD LYS 74 -0.129 -15.265 -15.508 570 HD3 LYS 74 2HD LYS 74 1.301 -15.856 -14.685 571 HE2 LYS 74 1HE LYS 74 -0.314 -18.150 -15.333 572 HE3 LYS 74 2HE LYS 74 -0.239 -17.148 -16.769 573 HZ1 LYS 74 1HZ LYS 74 2.233 -17.550 -15.326 574 HZ2 LYS 74 2HZ LYS 74 1.644 -18.830 -16.152 575 HZ3 LYS 74 3HZ LYS 74 1.973 -17.435 -16.934 576 H GLY 75 H GLY 75 -2.996 -13.539 -12.138 577 HA2 GLY 75 1HA GLY 75 -5.089 -14.510 -12.651 578 HA3 GLY 75 2HA GLY 75 -4.647 -15.947 -11.751 579 H SER 76 H SER 76 -4.193 -12.506 -10.745 580 HA SER 76 HA SER 76 -6.224 -12.975 -8.714 581 HB2 SER 76 1HB SER 76 -3.790 -13.198 -7.875 582 HB3 SER 76 2HB SER 76 -3.632 -11.477 -8.168 583 HG SER 76 HG SER 76 -4.643 -12.669 -5.992 584 H LEU 77 H LEU 77 -6.854 -10.750 -7.638 585 HA LEU 77 HA LEU 77 -8.000 -9.122 -9.432 586 HB2 LEU 77 1HB LEU 77 -6.957 -8.632 -6.664 587 HB3 LEU 77 2HB LEU 77 -7.701 -7.329 -7.569 588 HG LEU 77 HG LEU 77 -9.360 -8.284 -6.149 589 HD11 LEU 77 1HD1 LEU 77 -10.432 -9.640 -8.479 590 HD12 LEU 77 2HD1 LEU 77 -10.946 -8.125 -7.698 591 HD13 LEU 77 3HD1 LEU 77 -9.651 -8.102 -8.919 592 HD21 LEU 77 1HD2 LEU 77 -9.950 -10.600 -6.050 593 HD22 LEU 77 2HD2 LEU 77 -8.851 -10.997 -7.393 594 HD23 LEU 77 3HD2 LEU 77 -8.189 -10.471 -5.827 595 H ALA 78 H ALA 78 -4.883 -8.229 -7.781 596 HA ALA 78 HA ALA 78 -4.354 -6.221 -9.716 597 HB1 ALA 78 1HB ALA 78 -3.042 -7.399 -7.301 598 HB2 ALA 78 2HB ALA 78 -1.991 -6.552 -8.462 599 HB3 ALA 78 3HB ALA 78 -3.361 -5.697 -7.713 600 H ASP 79 H ASP 79 -4.846 -8.013 -11.489 601 HA ASP 79 HA ASP 79 -2.491 -8.400 -12.838 602 HB2 ASP 79 1HB ASP 79 -2.355 -10.215 -10.936 603 HB3 ASP 79 2HB ASP 79 -3.576 -11.065 -11.862 604 H THR 80 H THR 80 -5.679 -9.957 -12.044 605 HA THR 80 HA THR 80 -6.210 -10.502 -14.833 606 HB THR 80 HB THR 80 -8.199 -11.607 -13.910 607 HG1 THR 80 1HG THR 80 -7.349 -10.548 -11.335 608 HG21 THR 80 1HG2 THR 80 -5.689 -11.898 -12.203 609 HG22 THR 80 2HG2 THR 80 -7.158 -12.838 -11.850 610 HG23 THR 80 3HG2 THR 80 -6.332 -13.033 -13.414 611 H VAL 81 H VAL 81 -7.079 -8.084 -12.360 612 HA VAL 81 HA VAL 81 -8.709 -6.764 -14.419 613 HB VAL 81 HB VAL 81 -9.688 -5.568 -12.403 614 HG11 VAL 81 1HG1 VAL 81 -11.426 -6.992 -12.528 615 HG12 VAL 81 2HG1 VAL 81 -10.426 -7.870 -13.710 616 HG13 VAL 81 3HG1 VAL 81 -10.449 -8.386 -12.007 617 HG21 VAL 81 1HG2 VAL 81 -8.518 -7.912 -10.873 618 HG22 VAL 81 2HG2 VAL 81 -7.840 -6.267 -10.841 619 HG23 VAL 81 3HG2 VAL 81 -9.486 -6.563 -10.230 620 H GLY 82 H GLY 82 -6.185 -6.397 -11.879 621 HA2 GLY 82 1HA GLY 82 -5.733 -3.621 -12.532 622 HA3 GLY 82 2HA GLY 82 -4.845 -4.617 -11.396 623 H HIS 83 H HIS 83 -4.277 -6.835 -13.254 624 HA HIS 83 HA HIS 83 -2.719 -7.464 -14.663 625 HB2 HIS 83 1HB HIS 83 -3.182 -4.835 -16.095 626 HB3 HIS 83 2HB HIS 83 -2.452 -6.279 -16.767 627 HD1 HIS 83 1HD HIS 83 -4.105 -8.423 -17.010 628 HD2 HIS 83 2HD HIS 83 -5.937 -4.721 -16.278 629 HE1 HIS 83 1HE HIS 83 -6.565 -8.709 -17.625 630 H LEU 84 H LEU 84 -2.215 -5.459 -12.299 631 HA LEU 84 HA LEU 84 -0.085 -3.835 -12.835 632 HB2 LEU 84 1HB LEU 84 -0.712 -5.473 -10.377 633 HB3 LEU 84 2HB LEU 84 0.524 -4.233 -10.437 634 HG LEU 84 HG LEU 84 -2.286 -3.531 -11.225 635 HD11 LEU 84 1HD1 LEU 84 -3.098 -4.154 -9.248 636 HD12 LEU 84 2HD1 LEU 84 -1.476 -4.490 -8.595 637 HD13 LEU 84 3HD1 LEU 84 -2.130 -2.835 -8.546 638 HD21 LEU 84 1HD2 LEU 84 -1.682 -1.333 -10.490 639 HD22 LEU 84 2HD2 LEU 84 -0.165 -1.929 -9.774 640 HD23 LEU 84 3HD2 LEU 84 -0.382 -1.945 -11.540 641 H ARG 85 H ARG 85 2.265 -4.287 -11.931 642 HA ARG 85 HA ARG 85 3.082 -6.976 -12.494 643 HB2 ARG 85 1HB ARG 85 3.713 -4.614 -14.264 644 HB3 ARG 85 2HB ARG 85 4.991 -5.784 -14.001 645 HG2 ARG 85 1HG ARG 85 4.010 -7.292 -15.389 646 HG3 ARG 85 2HG ARG 85 2.478 -7.166 -14.549 647 HD2 ARG 85 1HD ARG 85 1.640 -5.563 -16.010 648 HD3 ARG 85 2HD ARG 85 3.210 -4.837 -16.292 649 HE ARG 85 HE ARG 85 3.331 -7.429 -17.413 650 HH11 ARG 85 2HH2 ARG 85 1.495 -4.468 -17.911 651 HH12 ARG 85 1HH2 ARG 85 1.240 -4.759 -19.599 652 HH21 ARG 85 2HH1 ARG 85 2.994 -7.813 -19.640 653 HH22 ARG 85 1HH1 ARG 85 2.098 -6.675 -20.589 654 HA PRO 86 HA PRO 86 6.090 -5.836 -9.550 655 HB2 PRO 86 1HB PRO 86 8.097 -7.630 -10.022 656 HB3 PRO 86 2HB PRO 86 6.645 -8.030 -9.126 657 HG2 PRO 86 1HG PRO 86 7.381 -8.774 -11.891 658 HG3 PRO 86 2HG PRO 86 6.172 -9.493 -10.846 659 HD2 PRO 86 1HD PRO 86 5.700 -7.705 -13.038 660 HD3 PRO 86 2HD PRO 86 4.504 -8.332 -11.921 661 H GLY 87 H GLY 87 6.988 -3.877 -9.551 662 HA2 GLY 87 1HA GLY 87 9.371 -3.116 -10.082 663 HA3 GLY 87 2HA GLY 87 8.888 -3.370 -11.748 664 H ASP 88 H ASP 88 5.996 -2.561 -10.496 665 HA ASP 88 HA ASP 88 6.219 0.098 -11.435 666 HB2 ASP 88 1HB ASP 88 4.101 -1.802 -10.672 667 HB3 ASP 88 2HB ASP 88 3.737 -0.180 -10.118 668 H GLU 89 H GLU 89 4.706 1.726 -9.840 669 HA GLU 89 HA GLU 89 5.702 1.386 -7.135 670 HB2 GLU 89 1HB GLU 89 7.292 2.887 -8.308 671 HB3 GLU 89 2HB GLU 89 5.974 3.941 -8.781 672 HG2 GLU 89 1HG GLU 89 5.439 4.215 -6.280 673 HG3 GLU 89 2HG GLU 89 6.938 3.373 -5.943 674 H VAL 90 H VAL 90 3.920 1.360 -5.840 675 HA VAL 90 HA VAL 90 1.465 2.496 -6.778 676 HB VAL 90 HB VAL 90 2.129 1.322 -4.075 677 HG11 VAL 90 1HG1 VAL 90 -0.105 1.243 -3.650 678 HG12 VAL 90 2HG1 VAL 90 -0.123 2.621 -4.777 679 HG13 VAL 90 3HG1 VAL 90 -0.536 0.990 -5.359 680 HG21 VAL 90 1HG2 VAL 90 2.808 -0.224 -5.882 681 HG22 VAL 90 2HG2 VAL 90 1.424 -0.844 -4.950 682 HG23 VAL 90 3HG2 VAL 90 1.165 -0.134 -6.561 683 H LEU 91 H LEU 91 1.458 4.717 -6.882 684 HA LEU 91 HA LEU 91 2.824 6.331 -5.030 685 HB2 LEU 91 1HB LEU 91 0.728 6.813 -7.127 686 HB3 LEU 91 2HB LEU 91 1.249 8.104 -6.063 687 HG LEU 91 HG LEU 91 2.349 7.806 -8.406 688 HD11 LEU 91 1HD1 LEU 91 4.100 8.235 -5.970 689 HD12 LEU 91 2HD1 LEU 91 4.387 8.839 -7.619 690 HD13 LEU 91 3HD1 LEU 91 3.006 9.449 -6.676 691 HD21 LEU 91 1HD2 LEU 91 4.501 6.450 -8.185 692 HD22 LEU 91 2HD2 LEU 91 3.721 5.652 -6.798 693 HD23 LEU 91 3HD2 LEU 91 2.986 5.546 -8.416 694 H GLU 92 H GLU 92 -0.733 5.703 -5.465 695 HA GLU 92 HA GLU 92 -0.964 6.283 -2.614 696 HB2 GLU 92 1HB GLU 92 -2.910 6.920 -4.872 697 HB3 GLU 92 2HB GLU 92 -3.331 7.044 -3.175 698 HG2 GLU 92 1HG GLU 92 -1.834 8.838 -2.790 699 HG3 GLU 92 2HG GLU 92 -0.841 8.444 -4.178 700 H TRP 93 H TRP 93 -3.079 5.242 -1.665 701 HA TRP 93 HA TRP 93 -3.840 2.803 -3.031 702 HB2 TRP 93 1HB TRP 93 -1.832 2.100 -1.875 703 HB3 TRP 93 2HB TRP 93 -2.413 2.776 -0.367 704 HD1 TRP 93 HD TRP 93 -4.768 1.493 0.625 705 HE1 TRP 93 1HE TRP 93 -5.467 -1.052 0.632 706 HE3 TRP 93 3HE TRP 93 -1.619 0.074 -3.107 707 HZ2 TRP 93 2HZ TRP 93 -4.643 -3.322 -0.889 708 HZ3 TRP 93 3HZ TRP 93 -1.628 -2.325 -3.785 709 HH2 TRP 93 HH TRP 93 -3.071 -3.998 -2.742 710 H ASN 94 H ASN 94 -6.023 3.232 -3.041 711 HA ASN 94 HA ASN 94 -8.038 3.556 -2.308 712 HB2 ASN 94 1HB ASN 94 -6.673 2.820 0.294 713 HB3 ASN 94 2HB ASN 94 -8.308 3.444 0.373 714 HD21 ASN 94 1HD2 ASN 94 -8.790 1.333 1.238 715 HD22 ASN 94 2HD2 ASN 94 -9.121 0.004 0.177 716 H GLY 95 H GLY 95 -5.719 5.697 -2.225 717 HA2 GLY 95 1HA GLY 95 -6.186 8.015 -2.212 718 HA3 GLY 95 2HA GLY 95 -7.323 7.781 -0.898 719 H ARG 96 H ARG 96 -4.639 5.770 -0.339 720 HA ARG 96 HA ARG 96 -3.604 7.752 1.506 721 HB2 ARG 96 1HB ARG 96 -3.635 4.719 1.454 722 HB3 ARG 96 2HB ARG 96 -2.418 5.539 2.412 723 HG2 ARG 96 1HG ARG 96 -5.115 6.679 2.808 724 HG3 ARG 96 2HG ARG 96 -5.045 4.976 3.215 725 HD2 ARG 96 1HD ARG 96 -3.539 5.305 4.970 726 HD3 ARG 96 2HD ARG 96 -2.790 6.698 4.216 727 HE ARG 96 HE ARG 96 -4.412 8.094 5.195 728 HH11 ARG 96 2HH2 ARG 96 -5.399 4.730 5.498 729 HH12 ARG 96 1HH2 ARG 96 -6.710 5.079 6.575 730 HH21 ARG 96 2HH1 ARG 96 -6.141 8.555 6.616 731 HH22 ARG 96 1HH1 ARG 96 -7.135 7.269 7.215 732 H LEU 97 H LEU 97 -1.773 8.810 0.808 733 HA LEU 97 HA LEU 97 -0.256 7.871 -1.369 734 HB2 LEU 97 1HB LEU 97 -0.550 10.224 -0.855 735 HB3 LEU 97 2HB LEU 97 0.281 10.027 0.675 736 HG LEU 97 HG LEU 97 2.066 9.070 -1.298 737 HD11 LEU 97 1HD1 LEU 97 0.803 11.702 -2.113 738 HD12 LEU 97 2HD1 LEU 97 2.305 11.022 -2.784 739 HD13 LEU 97 3HD1 LEU 97 0.759 10.171 -3.020 740 HD21 LEU 97 1HD2 LEU 97 2.152 11.776 0.048 741 HD22 LEU 97 2HD2 LEU 97 2.507 10.250 0.893 742 HD23 LEU 97 3HD2 LEU 97 3.513 10.760 -0.483 743 H LEU 98 H LEU 98 1.553 6.606 -1.486 744 HA LEU 98 HA LEU 98 2.465 5.507 1.067 745 HB2 LEU 98 1HB LEU 98 2.949 4.447 -1.716 746 HB3 LEU 98 2HB LEU 98 3.268 3.636 -0.196 747 HG LEU 98 HG LEU 98 0.563 4.293 -1.386 748 HD11 LEU 98 1HD1 LEU 98 0.329 2.076 -1.893 749 HD12 LEU 98 2HD1 LEU 98 2.088 2.255 -2.100 750 HD13 LEU 98 3HD1 LEU 98 1.435 1.543 -0.604 751 HD21 LEU 98 1HD2 LEU 98 -0.155 4.468 0.727 752 HD22 LEU 98 2HD2 LEU 98 0.038 2.699 0.776 753 HD23 LEU 98 3HD2 LEU 98 1.330 3.753 1.400 754 H GLN 99 H GLN 99 3.311 7.658 -1.536 755 HA GLN 99 HA GLN 99 6.018 7.363 -1.639 756 HB2 GLN 99 1HB GLN 99 4.059 9.512 -2.221 757 HB3 GLN 99 2HB GLN 99 5.673 10.105 -1.887 758 HG2 GLN 99 1HG GLN 99 6.538 8.355 -3.568 759 HG3 GLN 99 2HG GLN 99 4.866 8.069 -4.010 760 HE21 GLN 99 1HE2 GLN 99 7.134 9.155 -5.532 761 HE22 GLN 99 2HE2 GLN 99 6.639 10.696 -6.149 762 H GLY 100 H GLY 100 7.400 7.230 0.082 763 HA2 GLY 100 1HA GLY 100 8.673 8.367 1.690 764 HA3 GLY 100 2HA GLY 100 7.311 9.407 2.052 765 H ALA 101 H ALA 101 5.250 7.355 2.238 766 HA ALA 101 HA ALA 101 5.212 6.775 4.852 767 HB1 ALA 101 1HB ALA 101 4.188 5.091 2.531 768 HB2 ALA 101 2HB ALA 101 3.682 4.888 4.225 769 HB3 ALA 101 3HB ALA 101 3.323 6.405 3.365 770 H THR 102 H THR 102 5.860 5.070 6.246 771 HA THR 102 HA THR 102 8.329 3.827 5.447 772 HB THR 102 HB THR 102 8.529 3.378 7.788 773 HG1 THR 102 1HG THR 102 6.688 2.467 8.607 774 HG21 THR 102 1HG2 THR 102 8.315 5.495 8.655 775 HG22 THR 102 2HG2 THR 102 7.698 5.954 7.050 776 HG23 THR 102 3HG2 THR 102 6.562 5.518 8.349 777 H PHE 103 H PHE 103 8.552 1.398 6.365 778 HA PHE 103 HA PHE 103 7.149 -0.144 4.514 779 HB2 PHE 103 1HB PHE 103 9.365 -0.724 5.489 780 HB3 PHE 103 2HB PHE 103 8.690 -0.735 7.107 781 HD1 PHE 103 1HD PHE 103 8.826 -2.555 3.911 782 HD2 PHE 103 2HD PHE 103 7.530 -2.652 7.951 783 HE1 PHE 103 1HE PHE 103 8.382 -5.017 3.710 784 HE2 PHE 103 2HE PHE 103 7.086 -5.114 7.749 785 HZ PHE 103 HZ PHE 103 7.517 -6.268 5.631 786 H GLU 104 H GLU 104 6.652 0.472 8.031 787 HA GLU 104 HA GLU 104 4.625 -1.464 8.255 788 HB2 GLU 104 1HB GLU 104 5.424 0.904 9.995 789 HB3 GLU 104 2HB GLU 104 4.152 -0.214 10.445 790 HG2 GLU 104 1HG GLU 104 6.476 -1.741 9.621 791 HG3 GLU 104 2HG GLU 104 6.985 -0.534 10.784 792 H GLU 105 H GLU 105 4.720 2.068 7.595 793 HA GLU 105 HA GLU 105 2.041 2.575 7.908 794 HB2 GLU 105 1HB GLU 105 4.298 3.833 6.379 795 HB3 GLU 105 2HB GLU 105 2.676 4.354 5.971 796 HG2 GLU 105 1HG GLU 105 2.362 4.589 8.588 797 HG3 GLU 105 2HG GLU 105 4.114 4.575 8.633 798 H VAL 106 H VAL 106 3.798 2.036 4.760 799 HA VAL 106 HA VAL 106 1.666 1.918 3.105 800 HB VAL 106 HB VAL 106 4.189 0.253 3.098 801 HG11 VAL 106 1HG1 VAL 106 1.951 -0.161 1.505 802 HG12 VAL 106 2HG1 VAL 106 3.006 0.853 0.491 803 HG13 VAL 106 3HG1 VAL 106 3.613 -0.687 1.147 804 HG21 VAL 106 1HG2 VAL 106 3.468 2.981 2.026 805 HG22 VAL 106 2HG2 VAL 106 4.848 2.501 3.042 806 HG23 VAL 106 3HG2 VAL 106 4.801 2.032 1.326 807 H TYR 107 H TYR 107 2.993 -0.770 5.133 808 HA TYR 107 HA TYR 107 1.198 -2.713 4.234 809 HB2 TYR 107 1HB TYR 107 3.372 -2.931 5.595 810 HB3 TYR 107 2HB TYR 107 2.534 -2.243 6.972 811 HD1 TYR 107 2HD TYR 107 0.255 -3.530 7.606 812 HD2 TYR 107 1HD TYR 107 3.549 -5.242 5.480 813 HE1 TYR 107 2HE TYR 107 -0.494 -5.857 8.305 814 HE2 TYR 107 1HE TYR 107 2.789 -7.563 6.186 815 HH TYR 107 HH TYR 107 0.810 -8.142 8.637 816 H ASN 108 H ASN 108 1.158 -0.863 7.370 817 HA ASN 108 HA ASN 108 -1.109 -1.719 8.397 818 HB2 ASN 108 1HB ASN 108 0.184 1.002 8.301 819 HB3 ASN 108 2HB ASN 108 -1.443 0.936 8.949 820 HD21 ASN 108 1HD2 ASN 108 1.793 -0.461 9.197 821 HD22 ASN 108 2HD2 ASN 108 1.735 -0.884 10.876 822 H ILE 109 H ILE 109 -0.784 0.898 5.890 823 HA ILE 109 HA ILE 109 -3.392 1.641 5.640 824 HB ILE 109 HB ILE 109 -1.221 1.377 3.564 825 HG12 ILE 109 1HG1 ILE 109 -2.227 3.812 5.063 826 HG13 ILE 109 2HG1 ILE 109 -0.824 2.876 5.538 827 HG21 ILE 109 1HG2 ILE 109 -3.245 3.358 2.959 828 HG22 ILE 109 2HG2 ILE 109 -2.588 2.049 1.948 829 HG23 ILE 109 3HG2 ILE 109 -3.948 1.725 3.051 830 HD11 ILE 109 1HD1 ILE 109 0.465 3.946 4.016 831 HD12 ILE 109 2HD1 ILE 109 -0.645 3.489 2.702 832 HD13 ILE 109 3HD1 ILE 109 -0.930 4.982 3.628 833 H ILE 110 H ILE 110 -1.775 -0.839 3.524 834 HA ILE 110 HA ILE 110 -4.063 -1.751 2.328 835 HB ILE 110 HB ILE 110 -1.439 -3.068 2.978 836 HG12 ILE 110 1HG1 ILE 110 -2.252 -2.592 0.188 837 HG13 ILE 110 2HG1 ILE 110 -2.110 -1.130 1.144 838 HG21 ILE 110 1HG2 ILE 110 -3.649 -4.228 1.259 839 HG22 ILE 110 2HG2 ILE 110 -2.022 -4.906 1.507 840 HG23 ILE 110 3HG2 ILE 110 -3.167 -4.821 2.866 841 HD11 ILE 110 1HD1 ILE 110 0.022 -2.112 -0.066 842 HD12 ILE 110 2HD1 ILE 110 0.175 -1.463 1.584 843 HD13 ILE 110 3HD1 ILE 110 0.069 -3.221 1.326 844 H LEU 111 H LEU 111 -2.661 -2.581 5.523 845 HA LEU 111 HA LEU 111 -4.362 -4.754 6.027 846 HB2 LEU 111 1HB LEU 111 -2.365 -4.541 7.260 847 HB3 LEU 111 2HB LEU 111 -2.742 -2.905 7.762 848 HG LEU 111 HG LEU 111 -4.719 -3.910 9.049 849 HD11 LEU 111 1HD1 LEU 111 -3.241 -6.423 8.279 850 HD12 LEU 111 2HD1 LEU 111 -4.233 -6.329 9.754 851 HD13 LEU 111 3HD1 LEU 111 -4.979 -6.058 8.161 852 HD21 LEU 111 1HD2 LEU 111 -2.064 -3.433 9.734 853 HD22 LEU 111 2HD2 LEU 111 -3.439 -3.636 10.847 854 HD23 LEU 111 3HD2 LEU 111 -2.419 -5.034 10.428 855 H GLU 112 H GLU 112 -4.674 -1.211 6.477 856 HA GLU 112 HA GLU 112 -7.054 -1.449 7.971 857 HB2 GLU 112 1HB GLU 112 -5.633 0.838 6.575 858 HB3 GLU 112 2HB GLU 112 -7.216 1.078 7.288 859 HG2 GLU 112 1HG GLU 112 -5.638 -0.344 9.223 860 HG3 GLU 112 2HG GLU 112 -4.638 0.958 8.610 861 H SER 113 H SER 113 -6.302 -1.948 4.678 862 HA SER 113 HA SER 113 -9.102 -1.493 3.998 863 HB2 SER 113 1HB SER 113 -6.714 -1.264 2.114 864 HB3 SER 113 2HB SER 113 -8.391 -0.987 1.686 865 HG SER 113 HG SER 113 -7.009 0.520 3.735 866 H LYS 114 H LYS 114 -7.612 -3.885 5.119 867 HA LYS 114 HA LYS 114 -7.278 -5.713 2.967 868 HB2 LYS 114 1HB LYS 114 -7.015 -5.714 5.907 869 HB3 LYS 114 2HB LYS 114 -7.518 -7.248 5.227 870 HG2 LYS 114 1HG LYS 114 -5.596 -7.106 3.587 871 HG3 LYS 114 2HG LYS 114 -5.070 -5.631 4.374 872 HD2 LYS 114 1HD LYS 114 -4.262 -6.739 6.234 873 HD3 LYS 114 2HD LYS 114 -5.540 -7.938 6.212 874 HE2 LYS 114 1HE LYS 114 -4.274 -9.411 5.020 875 HE3 LYS 114 2HE LYS 114 -3.830 -8.194 3.840 876 HZ1 LYS 114 1HZ LYS 114 -1.844 -8.393 4.784 877 HZ2 LYS 114 2HZ LYS 114 -2.428 -7.435 5.971 878 HZ3 LYS 114 3HZ LYS 114 -2.411 -9.057 6.164 879 HA PRO 115 HA PRO 115 -11.569 -7.083 4.401 880 HB2 PRO 115 1HB PRO 115 -12.994 -5.533 6.142 881 HB3 PRO 115 2HB PRO 115 -12.035 -6.909 6.649 882 HG2 PRO 115 1HG PRO 115 -11.439 -4.027 6.935 883 HG3 PRO 115 2HG PRO 115 -10.731 -5.385 7.788 884 HD2 PRO 115 1HD PRO 115 -9.542 -3.896 5.644 885 HD3 PRO 115 2HD PRO 115 -8.885 -5.324 6.419 886 H GLU 116 H GLU 116 -10.887 -3.799 3.752 887 HA GLU 116 HA GLU 116 -13.180 -2.751 2.975 888 HB2 GLU 116 1HB GLU 116 -10.384 -2.563 2.022 889 HB3 GLU 116 2HB GLU 116 -11.558 -2.059 0.823 890 HG2 GLU 116 1HG GLU 116 -12.299 -0.991 3.435 891 HG3 GLU 116 2HG GLU 116 -10.635 -0.575 3.078 892 HA PRO 117 HA PRO 117 -14.842 -5.192 -0.208 893 HB2 PRO 117 1HB PRO 117 -16.573 -3.424 -1.369 894 HB3 PRO 117 2HB PRO 117 -16.942 -4.299 0.104 895 HG2 PRO 117 1HG PRO 117 -16.196 -1.457 -0.228 896 HG3 PRO 117 2HG PRO 117 -16.967 -2.237 1.139 897 HD2 PRO 117 1HD PRO 117 -14.219 -1.438 0.946 898 HD3 PRO 117 2HD PRO 117 -14.964 -2.320 2.264 899 H GLN 118 H GLN 118 -13.531 -2.087 -1.100 900 HA GLN 118 HA GLN 118 -12.635 -3.392 -3.542 901 HB2 GLN 118 1HB GLN 118 -13.229 -1.558 -4.908 902 HB3 GLN 118 2HB GLN 118 -14.617 -1.750 -3.855 903 HG2 GLN 118 1HG GLN 118 -13.217 -0.037 -2.307 904 HG3 GLN 118 2HG GLN 118 -12.508 0.402 -3.848 905 HE21 GLN 118 1HE2 GLN 118 -14.084 0.746 -5.662 906 HE22 GLN 118 2HE2 GLN 118 -15.536 1.628 -5.318 907 H VAL 119 H VAL 119 -10.839 -1.822 -4.616 908 HA VAL 119 HA VAL 119 -9.310 -0.429 -2.597 909 HB VAL 119 HB VAL 119 -8.227 -2.865 -4.027 910 HG11 VAL 119 1HG1 VAL 119 -6.946 -0.625 -2.554 911 HG12 VAL 119 2HG1 VAL 119 -6.359 -2.261 -2.170 912 HG13 VAL 119 3HG1 VAL 119 -6.306 -1.668 -3.847 913 HG21 VAL 119 1HG2 VAL 119 -8.858 -2.404 -1.093 914 HG22 VAL 119 2HG2 VAL 119 -9.701 -3.512 -2.202 915 HG23 VAL 119 3HG2 VAL 119 -8.007 -3.821 -1.751 916 H GLU 120 H GLU 120 -8.454 1.373 -3.511 917 HA GLU 120 HA GLU 120 -8.283 1.336 -6.423 918 HB2 GLU 120 1HB GLU 120 -9.989 2.902 -5.545 919 HB3 GLU 120 2HB GLU 120 -8.785 3.684 -4.541 920 HG2 GLU 120 1HG GLU 120 -7.501 3.945 -6.894 921 HG3 GLU 120 2HG GLU 120 -9.124 3.795 -7.536 922 H LEU 121 H LEU 121 -6.188 1.103 -7.077 923 HA LEU 121 HA LEU 121 -4.110 2.229 -5.358 924 HB2 LEU 121 1HB LEU 121 -4.268 -0.010 -7.312 925 HB3 LEU 121 2HB LEU 121 -2.736 0.827 -7.162 926 HG LEU 121 HG LEU 121 -2.448 0.183 -4.922 927 HD11 LEU 121 1HD1 LEU 121 -5.414 -0.261 -4.926 928 HD12 LEU 121 2HD1 LEU 121 -4.389 -1.136 -3.763 929 HD13 LEU 121 3HD1 LEU 121 -4.395 0.644 -3.781 930 HD21 LEU 121 1HD2 LEU 121 -3.389 -2.396 -5.148 931 HD22 LEU 121 2HD2 LEU 121 -3.263 -1.869 -6.843 932 HD23 LEU 121 3HD2 LEU 121 -1.840 -1.787 -5.777 933 H VAL 122 H VAL 122 -2.226 3.296 -6.501 934 HA VAL 122 HA VAL 122 -2.925 4.497 -9.043 935 HB VAL 122 HB VAL 122 -2.343 6.177 -6.597 936 HG11 VAL 122 1HG1 VAL 122 -3.069 6.933 -9.448 937 HG12 VAL 122 2HG1 VAL 122 -2.933 8.070 -8.086 938 HG13 VAL 122 3HG1 VAL 122 -1.499 7.179 -8.648 939 HG21 VAL 122 1HG2 VAL 122 -4.969 5.823 -8.084 940 HG22 VAL 122 2HG2 VAL 122 -4.588 5.155 -6.478 941 HG23 VAL 122 3HG2 VAL 122 -4.668 6.917 -6.712 942 H VAL 123 H VAL 123 -1.160 3.875 -10.193 943 HA VAL 123 HA VAL 123 1.436 4.116 -8.846 944 HB VAL 123 HB VAL 123 1.173 1.899 -9.461 945 HG11 VAL 123 1HG1 VAL 123 0.433 1.335 -11.907 946 HG12 VAL 123 2HG1 VAL 123 -0.793 1.757 -10.688 947 HG13 VAL 123 3HG1 VAL 123 -0.265 2.972 -11.877 948 HG21 VAL 123 1HG2 VAL 123 3.281 2.958 -10.327 949 HG22 VAL 123 2HG2 VAL 123 2.786 1.482 -11.191 950 HG23 VAL 123 3HG2 VAL 123 2.498 3.079 -11.922 951 H SER 124 H SER 124 3.265 4.883 -10.233 952 HA SER 124 HA SER 124 2.268 6.700 -12.283 953 HB2 SER 124 1HB SER 124 4.087 7.223 -9.944 954 HB3 SER 124 2HB SER 124 4.426 8.073 -11.438 955 HG SER 124 HG SER 124 1.734 8.040 -10.464 956 H ARG 125 H ARG 125 3.586 6.899 -14.165 957 HA ARG 125 HA ARG 125 5.898 5.128 -14.153 958 HB2 ARG 125 1HB ARG 125 3.511 4.944 -15.737 959 HB3 ARG 125 2HB ARG 125 4.785 5.457 -16.826 960 HG2 ARG 125 1HG ARG 125 6.125 3.531 -16.368 961 HG3 ARG 125 2HG ARG 125 5.253 3.160 -14.894 962 HD2 ARG 125 1HD ARG 125 3.204 3.054 -16.749 963 HD3 ARG 125 2HD ARG 125 4.556 2.508 -17.720 964 HE ARG 125 HE ARG 125 4.350 1.232 -15.070 965 HH11 ARG 125 2HH2 ARG 125 3.523 1.047 -18.485 966 HH12 ARG 125 1HH2 ARG 125 3.246 -0.662 -18.457 967 HH21 ARG 125 2HH1 ARG 125 3.985 -1.024 -15.032 968 HH22 ARG 125 1HH1 ARG 125 3.511 -1.848 -16.479 969 H SER 126 H SER 126 7.510 5.708 -15.984 970 HA SER 126 HA SER 126 7.545 8.611 -16.221 971 HB2 SER 126 1HB SER 126 9.888 8.560 -16.077 972 HB3 SER 126 2HB SER 126 9.417 7.289 -14.966 973 HG SER 126 HG SER 126 11.136 6.620 -16.413 974 H GLY 127 H GLY 127 6.842 9.249 -18.230 975 HA2 GLY 127 1HA GLY 127 6.402 7.785 -20.444 976 HA3 GLY 127 2HA GLY 127 6.881 9.470 -20.483 977 HA PRO 128 HA PRO 128 10.186 6.747 -22.290 978 HB2 PRO 128 1HB PRO 128 9.644 6.899 -24.964 979 HB3 PRO 128 2HB PRO 128 9.157 5.546 -23.963 980 HG2 PRO 128 1HG PRO 128 7.500 7.743 -25.041 981 HG3 PRO 128 2HG PRO 128 6.989 6.187 -24.417 982 HD2 PRO 128 1HD PRO 128 6.820 8.716 -23.072 983 HD3 PRO 128 2HD PRO 128 6.418 7.145 -22.406 984 H SER 129 H SER 129 12.190 7.527 -22.728 985 HA SER 129 HA SER 129 12.562 9.691 -24.383 986 HB2 SER 129 1HB SER 129 13.156 11.463 -22.702 987 HB3 SER 129 2HB SER 129 11.444 11.088 -22.743 988 HG SER 129 HG SER 129 12.428 11.242 -20.555 989 H SER 130 H SER 130 14.894 10.429 -24.336 990 HA SER 130 HA SER 130 16.531 8.592 -22.778 991 HB2 SER 130 1HB SER 130 16.372 8.910 -25.717 992 HB3 SER 130 2HB SER 130 18.009 9.024 -25.100 993 HG SER 130 HG SER 130 18.015 6.923 -24.654 994 H GLY 131 H GLY 131 18.393 9.528 -21.861 995 HA2 GLY 131 1HA GLY 131 20.112 11.153 -21.857 996 HA3 GLY 131 2HA GLY 131 19.053 12.280 -22.682 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -37.395 9.465 -21.192 2 HA2 GLY 1 1HA GLY 1 -39.535 9.738 -22.436 3 HA3 GLY 1 2HA GLY 1 -38.635 11.226 -22.218 4 H SER 2 H SER 2 -36.732 11.426 -24.042 5 HA SER 2 HA SER 2 -37.562 10.386 -26.557 6 HB2 SER 2 1HB SER 2 -37.785 12.714 -27.585 7 HB3 SER 2 2HB SER 2 -39.116 12.203 -26.566 8 HG SER 2 HG SER 2 -38.744 13.873 -25.291 9 H SER 3 H SER 3 -35.388 9.522 -26.478 10 HA SER 3 HA SER 3 -33.257 9.502 -26.882 11 HB2 SER 3 1HB SER 3 -33.923 12.201 -28.098 12 HB3 SER 3 2HB SER 3 -32.273 11.610 -28.095 13 HG SER 3 HG SER 3 -32.787 9.978 -29.484 14 H GLY 4 H GLY 4 -31.048 10.563 -26.281 15 HA2 GLY 4 1HA GLY 4 -31.374 11.826 -23.650 16 HA3 GLY 4 2HA GLY 4 -29.967 10.965 -24.243 17 H SER 5 H SER 5 -29.795 13.545 -23.040 18 HA SER 5 HA SER 5 -29.692 15.475 -25.123 19 HB2 SER 5 1HB SER 5 -28.651 15.571 -22.256 20 HB3 SER 5 2HB SER 5 -28.747 16.951 -23.332 21 HG SER 5 HG SER 5 -30.811 15.572 -21.963 22 H SER 6 H SER 6 -27.679 16.624 -25.783 23 HA SER 6 HA SER 6 -25.771 15.026 -26.731 24 HB2 SER 6 1HB SER 6 -26.227 17.699 -26.806 25 HB3 SER 6 2HB SER 6 -24.832 17.700 -25.745 26 HG SER 6 HG SER 6 -23.540 16.877 -27.341 27 H GLY 7 H GLY 7 -23.568 14.442 -26.106 28 HA2 GLY 7 1HA GLY 7 -21.923 14.849 -24.222 29 HA3 GLY 7 2HA GLY 7 -23.231 14.337 -23.174 30 H HIS 8 H HIS 8 -20.439 13.252 -24.521 31 HA HIS 8 HA HIS 8 -21.416 10.657 -25.330 32 HB2 HIS 8 1HB HIS 8 -19.215 10.230 -26.088 33 HB3 HIS 8 2HB HIS 8 -19.602 11.874 -26.555 34 HD1 HIS 8 1HD HIS 8 -16.968 9.949 -25.040 35 HD2 HIS 8 2HD HIS 8 -18.478 13.826 -24.508 36 HE1 HIS 8 1HE HIS 8 -15.142 11.269 -23.844 37 H SER 9 H SER 9 -21.970 9.239 -23.751 38 HA SER 9 HA SER 9 -20.116 8.283 -21.982 39 HB2 SER 9 1HB SER 9 -21.294 10.735 -21.045 40 HB3 SER 9 2HB SER 9 -21.925 9.437 -20.051 41 HG SER 9 HG SER 9 -19.446 10.576 -19.994 42 H HIS 10 H HIS 10 -21.122 6.378 -22.898 43 HA HIS 10 HA HIS 10 -23.929 5.989 -22.403 44 HB2 HIS 10 1HB HIS 10 -21.904 4.066 -23.576 45 HB3 HIS 10 2HB HIS 10 -23.649 3.928 -23.648 46 HD1 HIS 10 1HD HIS 10 -24.900 5.919 -25.068 47 HD2 HIS 10 2HD HIS 10 -20.775 5.451 -25.668 48 HE1 HIS 10 1HE HIS 10 -24.355 7.119 -27.253 49 H SER 11 H SER 11 -20.904 4.123 -21.612 50 HA SER 11 HA SER 11 -21.416 3.993 -18.923 51 HB2 SER 11 1HB SER 11 -22.152 1.578 -18.721 52 HB3 SER 11 2HB SER 11 -23.384 2.664 -19.333 53 HG SER 11 HG SER 11 -21.706 0.913 -20.921 54 H ASP 12 H ASP 12 -19.087 4.480 -19.432 55 HA ASP 12 HA ASP 12 -17.646 1.969 -19.681 56 HB2 ASP 12 1HB ASP 12 -16.766 4.610 -20.935 57 HB3 ASP 12 2HB ASP 12 -15.927 3.077 -21.059 58 H LYS 13 H LYS 13 -17.661 2.268 -17.242 59 HA LYS 13 HA LYS 13 -15.769 4.358 -16.413 60 HB2 LYS 13 1HB LYS 13 -16.874 4.365 -14.251 61 HB3 LYS 13 2HB LYS 13 -18.027 4.709 -15.525 62 HG2 LYS 13 1HG LYS 13 -19.264 2.864 -15.033 63 HG3 LYS 13 2HG LYS 13 -17.854 1.824 -15.057 64 HD2 LYS 13 1HD LYS 13 -17.285 2.805 -12.718 65 HD3 LYS 13 2HD LYS 13 -18.906 3.470 -12.721 66 HE2 LYS 13 1HE LYS 13 -19.794 1.118 -13.156 67 HE3 LYS 13 2HE LYS 13 -18.160 0.517 -12.950 68 HZ1 LYS 13 1HZ LYS 13 -19.312 2.215 -10.885 69 HZ2 LYS 13 2HZ LYS 13 -19.740 0.640 -10.952 70 HZ3 LYS 13 3HZ LYS 13 -18.173 1.052 -10.747 71 H HIS 14 H HIS 14 -14.205 2.633 -17.302 72 HA HIS 14 HA HIS 14 -13.945 0.177 -16.067 73 HB2 HIS 14 1HB HIS 14 -11.843 1.973 -17.308 74 HB3 HIS 14 2HB HIS 14 -11.582 0.295 -16.874 75 HD1 HIS 14 1HD HIS 14 -13.834 -1.249 -18.003 76 HD2 HIS 14 2HD HIS 14 -12.288 2.109 -19.986 77 HE1 HIS 14 1HE HIS 14 -14.498 -1.497 -20.454 78 HA PRO 15 HA PRO 15 -12.340 1.132 -12.167 79 HB2 PRO 15 1HB PRO 15 -11.020 -1.177 -11.538 80 HB3 PRO 15 2HB PRO 15 -12.757 -0.995 -11.390 81 HG2 PRO 15 1HG PRO 15 -11.215 -2.456 -13.446 82 HG3 PRO 15 2HG PRO 15 -12.912 -2.607 -13.032 83 HD2 PRO 15 1HD PRO 15 -11.815 -1.249 -15.308 84 HD3 PRO 15 2HD PRO 15 -13.500 -1.301 -14.831 85 H VAL 16 H VAL 16 -10.029 -0.154 -14.460 86 HA VAL 16 HA VAL 16 -7.950 1.347 -13.052 87 HB VAL 16 HB VAL 16 -6.404 -0.068 -14.027 88 HG11 VAL 16 1HG1 VAL 16 -8.337 -2.257 -14.097 89 HG12 VAL 16 2HG1 VAL 16 -6.988 -1.957 -12.976 90 HG13 VAL 16 3HG1 VAL 16 -8.569 -1.192 -12.690 91 HG21 VAL 16 1HG2 VAL 16 -8.476 -0.933 -16.074 92 HG22 VAL 16 2HG2 VAL 16 -7.157 0.228 -16.361 93 HG23 VAL 16 3HG2 VAL 16 -6.781 -1.472 -15.989 94 H THR 17 H THR 17 -6.655 2.904 -14.157 95 HA THR 17 HA THR 17 -7.349 3.572 -16.881 96 HB THR 17 HB THR 17 -7.702 6.053 -15.789 97 HG1 THR 17 1HG THR 17 -7.689 5.387 -13.609 98 HG21 THR 17 1HG2 THR 17 -10.035 5.808 -16.178 99 HG22 THR 17 2HG2 THR 17 -9.340 4.555 -17.233 100 HG23 THR 17 3HG2 THR 17 -10.034 4.106 -15.656 101 H TRP 18 H TRP 18 -5.529 4.053 -17.931 102 HA TRP 18 HA TRP 18 -3.263 4.918 -16.276 103 HB2 TRP 18 1HB TRP 18 -3.383 3.419 -18.894 104 HB3 TRP 18 2HB TRP 18 -1.907 4.105 -18.242 105 HD1 TRP 18 HD TRP 18 -4.422 1.263 -17.543 106 HE1 TRP 18 1HE TRP 18 -3.403 -0.529 -15.896 107 HE3 TRP 18 3HE TRP 18 -0.218 3.901 -16.435 108 HZ2 TRP 18 2HZ TRP 18 -1.007 -0.640 -14.349 109 HZ3 TRP 18 3HZ TRP 18 1.409 2.879 -14.847 110 HH2 TRP 18 HH TRP 18 1.069 0.689 -13.817 111 H GLN 19 H GLN 19 -3.080 7.124 -16.335 112 HA GLN 19 HA GLN 19 -3.290 8.336 -18.968 113 HB2 GLN 19 1HB GLN 19 -4.306 9.857 -16.568 114 HB3 GLN 19 2HB GLN 19 -4.711 10.067 -18.260 115 HG2 GLN 19 1HG GLN 19 -6.625 8.943 -17.659 116 HG3 GLN 19 2HG GLN 19 -5.628 7.527 -17.927 117 HE21 GLN 19 1HE2 GLN 19 -7.837 8.626 -15.959 118 HE22 GLN 19 2HE2 GLN 19 -7.344 8.006 -14.419 119 HA PRO 20 HA PRO 20 0.407 10.241 -17.726 120 HB2 PRO 20 1HB PRO 20 0.531 12.358 -19.450 121 HB3 PRO 20 2HB PRO 20 0.979 10.726 -19.903 122 HG2 PRO 20 1HG PRO 20 -1.460 12.240 -20.605 123 HG3 PRO 20 2HG PRO 20 -0.798 10.809 -21.370 124 HD2 PRO 20 1HD PRO 20 -3.041 10.919 -19.586 125 HD3 PRO 20 2HD PRO 20 -2.307 9.477 -20.259 126 H SER 21 H SER 21 1.484 12.096 -16.730 127 HA SER 21 HA SER 21 -0.387 13.269 -14.958 128 HB2 SER 21 1HB SER 21 1.470 13.936 -13.719 129 HB3 SER 21 2HB SER 21 2.127 12.558 -14.579 130 HG SER 21 HG SER 21 3.614 14.237 -14.822 131 H LYS 22 H LYS 22 0.206 15.849 -14.497 132 HA LYS 22 HA LYS 22 -1.061 17.274 -16.427 133 HB2 LYS 22 1HB LYS 22 0.496 17.832 -14.034 134 HB3 LYS 22 2HB LYS 22 0.718 19.085 -15.238 135 HG2 LYS 22 1HG LYS 22 -1.939 18.887 -15.483 136 HG3 LYS 22 2HG LYS 22 -1.831 18.191 -13.879 137 HD2 LYS 22 1HD LYS 22 -0.438 20.816 -14.515 138 HD3 LYS 22 2HD LYS 22 -2.144 20.789 -14.113 139 HE2 LYS 22 1HE LYS 22 -1.531 20.818 -11.925 140 HE3 LYS 22 2HE LYS 22 -0.987 19.165 -12.130 141 HZ1 LYS 22 1HZ LYS 22 0.567 21.601 -12.106 142 HZ2 LYS 22 2HZ LYS 22 0.920 20.135 -11.479 143 HZ3 LYS 22 3HZ LYS 22 1.093 20.401 -13.081 144 H ASP 23 H ASP 23 2.530 16.943 -15.999 145 HA ASP 23 HA ASP 23 3.126 18.446 -18.250 146 HB2 ASP 23 1HB ASP 23 4.573 17.380 -16.215 147 HB3 ASP 23 2HB ASP 23 4.926 16.174 -17.437 148 H GLY 24 H GLY 24 3.480 14.847 -17.720 149 HA2 GLY 24 1HA GLY 24 2.163 13.510 -19.412 150 HA3 GLY 24 2HA GLY 24 3.024 14.453 -20.612 151 H ASP 25 H ASP 25 5.551 14.609 -19.009 152 HA ASP 25 HA ASP 25 6.882 12.530 -20.091 153 HB2 ASP 25 1HB ASP 25 7.355 14.468 -17.885 154 HB3 ASP 25 2HB ASP 25 8.325 13.014 -17.762 155 H ARG 26 H ARG 26 4.963 12.714 -17.099 156 HA ARG 26 HA ARG 26 5.908 10.083 -16.335 157 HB2 ARG 26 1HB ARG 26 4.633 12.393 -14.892 158 HB3 ARG 26 2HB ARG 26 4.230 10.794 -14.299 159 HG2 ARG 26 1HG ARG 26 7.107 11.692 -14.770 160 HG3 ARG 26 2HG ARG 26 6.290 11.914 -13.236 161 HD2 ARG 26 1HD ARG 26 6.214 9.611 -12.774 162 HD3 ARG 26 2HD ARG 26 6.237 9.158 -14.467 163 HE ARG 26 HE ARG 26 8.590 9.274 -14.464 164 HH11 ARG 26 2HH2 ARG 26 7.316 10.710 -11.514 165 HH12 ARG 26 1HH2 ARG 26 8.865 10.823 -10.748 166 HH21 ARG 26 2HH1 ARG 26 10.634 9.423 -13.453 167 HH22 ARG 26 1HH1 ARG 26 10.765 10.086 -11.858 168 H LEU 27 H LEU 27 4.285 8.397 -15.762 169 HA LEU 27 HA LEU 27 1.708 8.867 -17.091 170 HB2 LEU 27 1HB LEU 27 3.627 7.253 -18.071 171 HB3 LEU 27 2HB LEU 27 2.821 6.122 -17.002 172 HG LEU 27 HG LEU 27 1.474 5.710 -18.732 173 HD11 LEU 27 1HD1 LEU 27 0.234 8.434 -18.550 174 HD12 LEU 27 2HD1 LEU 27 -0.534 6.836 -18.712 175 HD13 LEU 27 3HD1 LEU 27 0.163 7.334 -17.152 176 HD21 LEU 27 1HD2 LEU 27 3.167 7.424 -19.999 177 HD22 LEU 27 2HD2 LEU 27 1.812 6.571 -20.778 178 HD23 LEU 27 3HD2 LEU 27 1.606 8.250 -20.224 179 H ILE 28 H ILE 28 0.100 8.919 -15.624 180 HA ILE 28 HA ILE 28 0.540 7.568 -13.086 181 HB ILE 28 HB ILE 28 -1.767 9.342 -13.857 182 HG12 ILE 28 1HG1 ILE 28 0.251 10.584 -14.375 183 HG13 ILE 28 2HG1 ILE 28 -0.509 11.236 -12.937 184 HG21 ILE 28 1HG2 ILE 28 -2.385 9.251 -11.709 185 HG22 ILE 28 2HG2 ILE 28 -1.356 7.801 -11.627 186 HG23 ILE 28 3HG2 ILE 28 -0.711 9.379 -11.118 187 HD11 ILE 28 1HD1 ILE 28 1.709 9.158 -12.769 188 HD12 ILE 28 2HD1 ILE 28 2.045 10.905 -12.839 189 HD13 ILE 28 3HD1 ILE 28 1.111 10.232 -11.481 190 H GLY 29 H GLY 29 -0.143 5.519 -12.813 191 HA2 GLY 29 1HA GLY 29 -2.321 4.562 -14.560 192 HA3 GLY 29 2HA GLY 29 -1.071 3.574 -13.829 193 H ARG 30 H ARG 30 -4.203 3.737 -13.676 194 HA ARG 30 HA ARG 30 -4.281 3.756 -10.764 195 HB2 ARG 30 1HB ARG 30 -5.924 5.145 -12.688 196 HB3 ARG 30 2HB ARG 30 -6.937 3.946 -11.910 197 HG2 ARG 30 1HG ARG 30 -6.591 4.863 -9.744 198 HG3 ARG 30 2HG ARG 30 -5.125 5.696 -10.222 199 HD2 ARG 30 1HD ARG 30 -6.737 7.018 -11.873 200 HD3 ARG 30 2HD ARG 30 -8.003 6.456 -10.799 201 HE ARG 30 HE ARG 30 -6.027 7.498 -9.102 202 HH11 ARG 30 2HH2 ARG 30 -8.011 8.725 -11.736 203 HH12 ARG 30 1HH2 ARG 30 -8.035 10.348 -11.132 204 HH21 ARG 30 2HH1 ARG 30 -6.058 9.639 -8.305 205 HH22 ARG 30 1HH1 ARG 30 -6.917 10.871 -9.167 206 H ILE 31 H ILE 31 -5.337 1.975 -9.724 207 HA ILE 31 HA ILE 31 -6.481 -0.059 -11.470 208 HB ILE 31 HB ILE 31 -4.063 -0.387 -9.726 209 HG12 ILE 31 1HG1 ILE 31 -3.705 -1.950 -11.911 210 HG13 ILE 31 2HG1 ILE 31 -4.764 -0.730 -12.591 211 HG21 ILE 31 1HG2 ILE 31 -4.441 -2.898 -10.077 212 HG22 ILE 31 2HG2 ILE 31 -5.397 -2.082 -8.817 213 HG23 ILE 31 3HG2 ILE 31 -6.141 -2.469 -10.387 214 HD11 ILE 31 1HD1 ILE 31 -2.619 0.384 -10.867 215 HD12 ILE 31 2HD1 ILE 31 -2.030 -0.460 -12.320 216 HD13 ILE 31 3HD1 ILE 31 -3.165 0.901 -12.480 217 H LEU 32 H LEU 32 -8.522 -0.223 -10.709 218 HA LEU 32 HA LEU 32 -8.874 -0.001 -7.808 219 HB2 LEU 32 1HB LEU 32 -10.107 1.653 -8.960 220 HB3 LEU 32 2HB LEU 32 -10.700 0.508 -10.146 221 HG LEU 32 HG LEU 32 -11.796 -0.632 -8.013 222 HD11 LEU 32 1HD1 LEU 32 -12.076 2.188 -7.080 223 HD12 LEU 32 2HD1 LEU 32 -12.189 0.659 -6.175 224 HD13 LEU 32 3HD1 LEU 32 -10.596 1.300 -6.645 225 HD21 LEU 32 1HD2 LEU 32 -13.701 -0.003 -8.984 226 HD22 LEU 32 2HD2 LEU 32 -13.381 1.724 -8.690 227 HD23 LEU 32 3HD2 LEU 32 -12.690 0.921 -10.121 228 H LEU 33 H LEU 33 -9.008 -1.890 -6.733 229 HA LEU 33 HA LEU 33 -9.853 -4.236 -8.249 230 HB2 LEU 33 1HB LEU 33 -8.432 -3.915 -5.605 231 HB3 LEU 33 2HB LEU 33 -8.961 -5.456 -6.251 232 HG LEU 33 HG LEU 33 -6.860 -5.555 -7.043 233 HD11 LEU 33 1HD1 LEU 33 -6.635 -4.908 -9.317 234 HD12 LEU 33 2HD1 LEU 33 -8.360 -5.259 -9.049 235 HD13 LEU 33 3HD1 LEU 33 -7.796 -3.572 -9.126 236 HD21 LEU 33 1HD2 LEU 33 -5.417 -3.569 -7.486 237 HD22 LEU 33 2HD2 LEU 33 -6.769 -2.529 -6.975 238 HD23 LEU 33 3HD2 LEU 33 -6.034 -3.666 -5.819 239 H ASN 34 H ASN 34 -11.727 -5.354 -7.815 240 HA ASN 34 HA ASN 34 -13.275 -4.319 -5.573 241 HB2 ASN 34 1HB ASN 34 -14.205 -3.499 -7.748 242 HB3 ASN 34 2HB ASN 34 -14.301 -5.146 -8.340 243 HD21 ASN 34 1HD2 ASN 34 -15.347 -3.047 -5.676 244 HD22 ASN 34 2HD2 ASN 34 -16.901 -3.767 -5.418 245 H LYS 35 H LYS 35 -13.497 -6.024 -4.116 246 HA LYS 35 HA LYS 35 -13.209 -8.730 -5.081 247 HB2 LYS 35 1HB LYS 35 -13.684 -7.765 -2.249 248 HB3 LYS 35 2HB LYS 35 -13.086 -9.333 -2.754 249 HG2 LYS 35 1HG LYS 35 -10.962 -8.546 -2.790 250 HG3 LYS 35 2HG LYS 35 -11.406 -7.331 -3.972 251 HD2 LYS 35 1HD LYS 35 -11.473 -5.663 -2.411 252 HD3 LYS 35 2HD LYS 35 -12.361 -6.647 -1.264 253 HE2 LYS 35 1HE LYS 35 -10.446 -6.812 -0.054 254 HE3 LYS 35 2HE LYS 35 -9.809 -7.839 -1.322 255 HZ1 LYS 35 1HZ LYS 35 -8.299 -6.165 -1.270 256 HZ2 LYS 35 2HZ LYS 35 -9.295 -5.576 -2.423 257 HZ3 LYS 35 3HZ LYS 35 -9.380 -4.999 -0.898 258 H ARG 36 H ARG 36 -15.732 -6.490 -3.928 259 HA ARG 36 HA ARG 36 -17.698 -8.090 -3.195 260 HB2 ARG 36 1HB ARG 36 -17.652 -5.577 -4.872 261 HB3 ARG 36 2HB ARG 36 -19.189 -6.397 -4.681 262 HG2 ARG 36 1HG ARG 36 -19.103 -6.197 -2.265 263 HG3 ARG 36 2HG ARG 36 -17.424 -5.698 -2.296 264 HD2 ARG 36 1HD ARG 36 -18.268 -3.570 -2.205 265 HD3 ARG 36 2HD ARG 36 -18.547 -3.774 -3.923 266 HE ARG 36 HE ARG 36 -20.798 -4.905 -2.693 267 HH11 ARG 36 2HH2 ARG 36 -19.244 -1.748 -2.715 268 HH12 ARG 36 1HH2 ARG 36 -20.717 -0.879 -2.439 269 HH21 ARG 36 2HH1 ARG 36 -22.742 -3.760 -2.330 270 HH22 ARG 36 1HH1 ARG 36 -22.720 -2.031 -2.218 271 H LEU 37 H LEU 37 -18.424 -10.013 -4.058 272 HA LEU 37 HA LEU 37 -17.919 -10.893 -6.604 273 HB2 LEU 37 1HB LEU 37 -20.221 -11.642 -4.797 274 HB3 LEU 37 2HB LEU 37 -19.647 -12.573 -6.166 275 HG LEU 37 HG LEU 37 -17.664 -11.920 -4.034 276 HD11 LEU 37 1HD1 LEU 37 -18.814 -12.806 -2.358 277 HD12 LEU 37 2HD1 LEU 37 -20.176 -13.192 -3.436 278 HD13 LEU 37 3HD1 LEU 37 -18.842 -14.353 -3.238 279 HD21 LEU 37 1HD2 LEU 37 -17.452 -14.584 -4.679 280 HD22 LEU 37 2HD2 LEU 37 -18.020 -13.859 -6.203 281 HD23 LEU 37 3HD2 LEU 37 -16.536 -13.254 -5.427 282 H LYS 38 H LYS 38 -19.819 -11.548 -8.208 283 HA LYS 38 HA LYS 38 -20.635 -9.248 -9.456 284 HB2 LYS 38 1HB LYS 38 -20.749 -11.997 -9.930 285 HB3 LYS 38 2HB LYS 38 -22.428 -11.497 -9.947 286 HG2 LYS 38 1HG LYS 38 -21.401 -9.465 -11.418 287 HG3 LYS 38 2HG LYS 38 -20.179 -10.671 -11.766 288 HD2 LYS 38 1HD LYS 38 -21.639 -12.024 -12.954 289 HD3 LYS 38 2HD LYS 38 -23.013 -11.618 -11.944 290 HE2 LYS 38 1HE LYS 38 -23.418 -9.567 -13.094 291 HE3 LYS 38 2HE LYS 38 -21.804 -9.519 -13.775 292 HZ1 LYS 38 1HZ LYS 38 -24.109 -10.810 -14.768 293 HZ2 LYS 38 2HZ LYS 38 -22.708 -10.468 -15.532 294 HZ3 LYS 38 3HZ LYS 38 -22.854 -11.850 -14.675 295 H ASP 39 H ASP 39 -22.411 -11.313 -7.085 296 HA ASP 39 HA ASP 39 -24.823 -10.070 -7.246 297 HB2 ASP 39 1HB ASP 39 -23.319 -11.621 -5.193 298 HB3 ASP 39 2HB ASP 39 -24.595 -10.616 -4.537 299 H GLY 40 H GLY 40 -21.818 -9.195 -5.457 300 HA2 GLY 40 1HA GLY 40 -21.340 -6.848 -5.191 301 HA3 GLY 40 2HA GLY 40 -23.031 -6.575 -4.819 302 H SER 41 H SER 41 -20.693 -9.114 -3.678 303 HA SER 41 HA SER 41 -20.706 -7.931 -1.074 304 HB2 SER 41 1HB SER 41 -21.702 -10.793 -1.366 305 HB3 SER 41 2HB SER 41 -21.623 -9.843 0.105 306 HG SER 41 HG SER 41 -23.314 -9.302 -2.187 307 H VAL 42 H VAL 42 -18.727 -8.318 -0.083 308 HA VAL 42 HA VAL 42 -16.723 -9.616 -1.557 309 HB VAL 42 HB VAL 42 -16.887 -8.629 1.293 310 HG11 VAL 42 1HG1 VAL 42 -15.013 -10.444 0.322 311 HG12 VAL 42 2HG1 VAL 42 -14.198 -8.868 0.178 312 HG13 VAL 42 3HG1 VAL 42 -14.836 -9.400 1.753 313 HG21 VAL 42 1HG2 VAL 42 -17.104 -6.911 -0.469 314 HG22 VAL 42 2HG2 VAL 42 -15.599 -6.729 0.464 315 HG23 VAL 42 3HG2 VAL 42 -15.555 -7.443 -1.166 316 HA PRO 43 HA PRO 43 -17.429 -13.691 -0.239 317 HB2 PRO 43 1HB PRO 43 -15.218 -14.866 -1.335 318 HB3 PRO 43 2HB PRO 43 -16.680 -14.539 -2.244 319 HG2 PRO 43 1HG PRO 43 -14.094 -13.109 -2.316 320 HG3 PRO 43 2HG PRO 43 -15.397 -13.081 -3.488 321 HD2 PRO 43 1HD PRO 43 -14.773 -11.045 -1.565 322 HD3 PRO 43 2HD PRO 43 -16.143 -11.071 -2.658 323 H ARG 44 H ARG 44 -15.548 -15.628 0.429 324 HA ARG 44 HA ARG 44 -15.318 -15.345 3.027 325 HB2 ARG 44 1HB ARG 44 -13.406 -16.613 1.032 326 HB3 ARG 44 2HB ARG 44 -13.055 -16.697 2.747 327 HG2 ARG 44 1HG ARG 44 -14.456 -18.472 2.899 328 HG3 ARG 44 2HG ARG 44 -15.794 -17.401 2.539 329 HD2 ARG 44 1HD ARG 44 -15.431 -17.769 0.087 330 HD3 ARG 44 2HD ARG 44 -14.088 -18.835 0.445 331 HE ARG 44 HE ARG 44 -15.610 -20.530 0.969 332 HH11 ARG 44 2HH2 ARG 44 -17.270 -17.429 1.087 333 HH12 ARG 44 1HH2 ARG 44 -18.836 -18.132 1.321 334 HH21 ARG 44 2HH1 ARG 44 -17.675 -21.458 1.277 335 HH22 ARG 44 1HH1 ARG 44 -19.068 -20.439 1.430 336 H ASP 45 H ASP 45 -13.184 -13.842 0.567 337 HA ASP 45 HA ASP 45 -12.430 -11.826 2.332 338 HB2 ASP 45 1HB ASP 45 -9.857 -12.488 2.042 339 HB3 ASP 45 2HB ASP 45 -10.794 -13.075 3.401 340 H SER 46 H SER 46 -11.403 -13.889 -0.475 341 HA SER 46 HA SER 46 -11.048 -13.415 -2.570 342 HB2 SER 46 1HB SER 46 -12.740 -11.255 -1.775 343 HB3 SER 46 2HB SER 46 -11.463 -10.545 -2.742 344 HG SER 46 HG SER 46 -13.591 -11.676 -3.710 345 H GLY 47 H GLY 47 -8.986 -13.243 -0.518 346 HA2 GLY 47 1HA GLY 47 -6.829 -12.656 -0.299 347 HA3 GLY 47 2HA GLY 47 -6.853 -12.219 -1.996 348 H ALA 48 H ALA 48 -7.203 -11.050 1.340 349 HA ALA 48 HA ALA 48 -8.046 -8.464 0.863 350 HB1 ALA 48 1HB ALA 48 -6.801 -10.019 3.002 351 HB2 ALA 48 2HB ALA 48 -6.235 -8.332 2.997 352 HB3 ALA 48 3HB ALA 48 -7.976 -8.686 3.103 353 H MET 49 H MET 49 -4.952 -10.053 0.234 354 HA MET 49 HA MET 49 -3.595 -7.546 -0.052 355 HB2 MET 49 1HB MET 49 -2.937 -10.478 -0.125 356 HB3 MET 49 2HB MET 49 -1.916 -9.465 -1.128 357 HG2 MET 49 1HG MET 49 -2.298 -8.199 1.475 358 HG3 MET 49 2HG MET 49 -1.740 -9.846 1.696 359 HE1 MET 49 1HE MET 49 -0.861 -6.872 -1.036 360 HE2 MET 49 2HE MET 49 -1.177 -6.391 0.648 361 HE3 MET 49 3HE MET 49 0.473 -6.288 -0.012 362 H LEU 50 H LEU 50 -5.986 -8.655 -1.825 363 HA LEU 50 HA LEU 50 -6.642 -8.355 -3.913 364 HB2 LEU 50 1HB LEU 50 -4.006 -6.920 -4.254 365 HB3 LEU 50 2HB LEU 50 -5.290 -6.951 -5.447 366 HG LEU 50 HG LEU 50 -5.214 -4.864 -4.115 367 HD11 LEU 50 1HD1 LEU 50 -7.522 -4.596 -3.971 368 HD12 LEU 50 2HD1 LEU 50 -7.332 -5.921 -5.146 369 HD13 LEU 50 3HD1 LEU 50 -7.789 -6.281 -3.464 370 HD21 LEU 50 1HD2 LEU 50 -6.173 -6.500 -1.761 371 HD22 LEU 50 2HD2 LEU 50 -4.476 -6.015 -1.988 372 HD23 LEU 50 3HD2 LEU 50 -5.740 -4.774 -1.807 373 H GLY 51 H GLY 51 -3.071 -9.032 -4.082 374 HA2 GLY 51 1HA GLY 51 -3.174 -11.680 -4.724 375 HA3 GLY 51 2HA GLY 51 -3.437 -10.872 -6.256 376 H LEU 52 H LEU 52 -1.819 -8.447 -5.370 377 HA LEU 52 HA LEU 52 0.783 -9.652 -5.918 378 HB2 LEU 52 1HB LEU 52 1.341 -7.766 -7.032 379 HB3 LEU 52 2HB LEU 52 -0.391 -7.769 -7.295 380 HG LEU 52 HG LEU 52 -0.397 -6.260 -5.112 381 HD11 LEU 52 1HD1 LEU 52 2.435 -6.401 -5.854 382 HD12 LEU 52 2HD1 LEU 52 1.812 -4.739 -5.714 383 HD13 LEU 52 3HD1 LEU 52 1.663 -5.864 -4.343 384 HD21 LEU 52 1HD2 LEU 52 -1.372 -5.228 -6.882 385 HD22 LEU 52 2HD2 LEU 52 0.131 -4.277 -6.825 386 HD23 LEU 52 3HD2 LEU 52 -0.034 -5.610 -7.992 387 H LYS 53 H LYS 53 2.693 -8.362 -4.858 388 HA LYS 53 HA LYS 53 1.956 -7.877 -2.055 389 HB2 LYS 53 1HB LYS 53 3.361 -10.033 -2.889 390 HB3 LYS 53 2HB LYS 53 4.677 -8.897 -2.677 391 HG2 LYS 53 1HG LYS 53 2.947 -8.567 -0.415 392 HG3 LYS 53 2HG LYS 53 3.140 -10.293 -0.646 393 HD2 LYS 53 1HD LYS 53 5.360 -10.259 -0.062 394 HD3 LYS 53 2HD LYS 53 5.674 -8.776 -0.941 395 HE2 LYS 53 1HE LYS 53 5.969 -8.148 1.331 396 HE3 LYS 53 2HE LYS 53 4.361 -7.565 0.951 397 HZ1 LYS 53 1HZ LYS 53 4.149 -8.714 2.931 398 HZ2 LYS 53 2HZ LYS 53 3.591 -9.782 1.829 399 HZ3 LYS 53 3HZ LYS 53 5.087 -9.964 2.457 400 H VAL 54 H VAL 54 2.314 -5.824 -1.423 401 HA VAL 54 HA VAL 54 4.181 -4.253 -3.044 402 HB VAL 54 HB VAL 54 1.932 -3.446 -1.189 403 HG11 VAL 54 1HG1 VAL 54 3.527 -1.707 -1.040 404 HG12 VAL 54 2HG1 VAL 54 3.920 -1.804 -2.773 405 HG13 VAL 54 3HG1 VAL 54 2.345 -1.157 -2.252 406 HG21 VAL 54 1HG2 VAL 54 0.919 -2.596 -3.344 407 HG22 VAL 54 2HG2 VAL 54 2.186 -3.497 -4.209 408 HG23 VAL 54 3HG2 VAL 54 1.013 -4.367 -3.192 409 H VAL 55 H VAL 55 5.948 -3.209 -2.116 410 HA VAL 55 HA VAL 55 6.351 -3.774 0.740 411 HB VAL 55 HB VAL 55 8.133 -4.159 -1.631 412 HG11 VAL 55 1HG1 VAL 55 10.013 -4.363 0.195 413 HG12 VAL 55 2HG1 VAL 55 9.615 -2.778 -0.513 414 HG13 VAL 55 3HG1 VAL 55 8.986 -3.220 1.093 415 HG21 VAL 55 1HG2 VAL 55 6.930 -6.071 -0.622 416 HG22 VAL 55 2HG2 VAL 55 8.697 -6.239 -0.492 417 HG23 VAL 55 3HG2 VAL 55 7.743 -5.747 0.928 418 H GLY 56 H GLY 56 6.215 -1.893 1.844 419 HA2 GLY 56 1HA GLY 56 6.924 0.594 0.459 420 HA3 GLY 56 2HA GLY 56 5.993 0.431 1.935 421 H GLY 57 H GLY 57 7.708 2.260 2.419 422 HA2 GLY 57 1HA GLY 57 9.449 2.907 3.682 423 HA3 GLY 57 2HA GLY 57 9.483 1.287 4.349 424 H LYS 58 H LYS 58 9.737 1.318 0.892 425 HA LYS 58 HA LYS 58 12.359 0.265 1.004 426 HB2 LYS 58 1HB LYS 58 10.702 -0.456 -0.648 427 HB3 LYS 58 2HB LYS 58 10.654 1.152 -1.342 428 HG2 LYS 58 1HG LYS 58 12.325 0.474 -2.726 429 HG3 LYS 58 2HG LYS 58 13.390 0.576 -1.338 430 HD2 LYS 58 1HD LYS 58 11.753 -1.928 -1.911 431 HD3 LYS 58 2HD LYS 58 13.326 -1.674 -2.641 432 HE2 LYS 58 1HE LYS 58 13.564 -1.095 0.178 433 HE3 LYS 58 2HE LYS 58 12.724 -2.624 0.017 434 HZ1 LYS 58 1HZ LYS 58 14.569 -3.585 -0.681 435 HZ2 LYS 58 2HZ LYS 58 14.906 -2.419 -1.774 436 HZ3 LYS 58 3HZ LYS 58 15.385 -2.246 -0.223 437 H MET 59 H MET 59 14.307 1.268 0.933 438 HA MET 59 HA MET 59 14.237 4.140 0.735 439 HB2 MET 59 1HB MET 59 15.613 2.389 2.360 440 HB3 MET 59 2HB MET 59 16.818 2.634 1.112 441 HG2 MET 59 1HG MET 59 17.313 4.368 2.638 442 HG3 MET 59 2HG MET 59 16.342 5.196 1.438 443 HE1 MET 59 1HE MET 59 15.634 6.927 2.394 444 HE2 MET 59 2HE MET 59 13.880 6.637 2.488 445 HE3 MET 59 3HE MET 59 14.772 7.169 3.933 446 H THR 60 H THR 60 14.257 4.933 -1.341 447 HA THR 60 HA THR 60 15.500 3.510 -3.472 448 HB THR 60 HB THR 60 14.751 5.492 -4.768 449 HG1 THR 60 1HG THR 60 14.584 7.384 -3.616 450 HG21 THR 60 1HG2 THR 60 12.980 4.090 -2.868 451 HG22 THR 60 2HG2 THR 60 12.407 5.738 -3.222 452 HG23 THR 60 3HG2 THR 60 12.659 4.579 -4.549 453 H GLU 61 H GLU 61 16.721 5.682 -4.900 454 HA GLU 61 HA GLU 61 19.227 5.643 -3.460 455 HB2 GLU 61 1HB GLU 61 20.093 6.525 -5.737 456 HB3 GLU 61 2HB GLU 61 19.516 4.872 -5.675 457 HG2 GLU 61 1HG GLU 61 17.601 5.335 -6.916 458 HG3 GLU 61 2HG GLU 61 17.471 6.976 -6.314 459 H SER 62 H SER 62 16.551 7.620 -3.637 460 HA SER 62 HA SER 62 18.181 10.032 -3.513 461 HB2 SER 62 1HB SER 62 15.723 9.443 -4.859 462 HB3 SER 62 2HB SER 62 15.335 10.580 -3.584 463 HG SER 62 HG SER 62 17.501 11.634 -4.563 464 H GLY 63 H GLY 63 17.191 7.731 -1.483 465 HA2 GLY 63 1HA GLY 63 16.950 7.707 0.764 466 HA3 GLY 63 2HA GLY 63 17.092 9.453 0.791 467 H ARG 64 H ARG 64 14.723 8.420 -1.491 468 HA ARG 64 HA ARG 64 12.685 9.345 0.312 469 HB2 ARG 64 1HB ARG 64 13.090 9.245 -2.605 470 HB3 ARG 64 2HB ARG 64 11.489 8.681 -2.168 471 HG2 ARG 64 1HG ARG 64 11.348 10.810 -0.661 472 HG3 ARG 64 2HG ARG 64 12.753 11.378 -1.543 473 HD2 ARG 64 1HD ARG 64 11.227 10.660 -3.667 474 HD3 ARG 64 2HD ARG 64 9.936 10.960 -2.521 475 HE ARG 64 HE ARG 64 11.958 13.089 -2.604 476 HH11 ARG 64 2HH2 ARG 64 8.943 11.897 -3.972 477 HH12 ARG 64 1HH2 ARG 64 8.441 13.452 -4.547 478 HH21 ARG 64 2HH1 ARG 64 11.296 15.141 -3.362 479 HH22 ARG 64 1HH1 ARG 64 9.788 15.309 -4.198 480 H LEU 65 H LEU 65 10.596 8.126 0.531 481 HA LEU 65 HA LEU 65 11.065 5.237 0.275 482 HB2 LEU 65 1HB LEU 65 9.382 6.730 2.292 483 HB3 LEU 65 2HB LEU 65 9.546 4.989 2.184 484 HG LEU 65 HG LEU 65 11.888 6.839 2.690 485 HD11 LEU 65 1HD1 LEU 65 11.445 6.969 4.877 486 HD12 LEU 65 2HD1 LEU 65 9.779 6.535 4.422 487 HD13 LEU 65 3HD1 LEU 65 10.909 5.274 4.970 488 HD21 LEU 65 1HD2 LEU 65 11.524 3.901 2.486 489 HD22 LEU 65 2HD2 LEU 65 12.930 4.922 2.099 490 HD23 LEU 65 3HD2 LEU 65 12.583 4.488 3.790 491 H CYS 66 H CYS 66 9.546 3.978 -0.775 492 HA CYS 66 HA CYS 66 6.960 5.023 -1.340 493 HB2 CYS 66 1HB CYS 66 8.629 6.080 -3.076 494 HB3 CYS 66 2HB CYS 66 8.577 4.496 -3.823 495 HG CYS 66 HG CYS 66 6.857 6.569 -4.697 496 H ALA 67 H ALA 67 5.565 3.293 -2.097 497 HA ALA 67 HA ALA 67 6.693 0.677 -1.580 498 HB1 ALA 67 1HB ALA 67 4.022 0.340 -2.208 499 HB2 ALA 67 2HB ALA 67 4.665 0.621 -0.573 500 HB3 ALA 67 3HB ALA 67 4.050 1.987 -1.533 501 H PHE 68 H PHE 68 7.143 -0.856 -3.117 502 HA PHE 68 HA PHE 68 6.288 -0.221 -5.851 503 HB2 PHE 68 1HB PHE 68 8.903 -1.526 -4.893 504 HB3 PHE 68 2HB PHE 68 8.534 -1.075 -6.545 505 HD1 PHE 68 1HD PHE 68 8.408 1.341 -7.161 506 HD2 PHE 68 2HD PHE 68 9.756 0.067 -3.344 507 HE1 PHE 68 1HE PHE 68 9.459 3.589 -6.782 508 HE2 PHE 68 2HE PHE 68 10.807 2.315 -2.965 509 HZ PHE 68 HZ PHE 68 10.645 4.049 -4.688 510 H ILE 69 H ILE 69 5.604 -1.967 -7.130 511 HA ILE 69 HA ILE 69 4.610 -4.189 -5.754 512 HB ILE 69 HB ILE 69 5.020 -3.668 -8.699 513 HG12 ILE 69 1HG1 ILE 69 2.569 -3.361 -6.939 514 HG13 ILE 69 2HG1 ILE 69 3.567 -2.047 -7.527 515 HG21 ILE 69 1HG2 ILE 69 2.973 -5.608 -7.770 516 HG22 ILE 69 2HG2 ILE 69 3.966 -5.593 -9.247 517 HG23 ILE 69 3HG2 ILE 69 4.671 -6.137 -7.706 518 HD11 ILE 69 1HD1 ILE 69 2.847 -2.289 -9.740 519 HD12 ILE 69 2HD1 ILE 69 2.460 -4.014 -9.533 520 HD13 ILE 69 3HD1 ILE 69 1.381 -2.772 -8.853 521 H THR 70 H THR 70 5.449 -6.170 -5.269 522 HA THR 70 HA THR 70 8.210 -6.634 -6.165 523 HB THR 70 HB THR 70 8.488 -7.810 -4.091 524 HG1 THR 70 1HG THR 70 5.560 -7.610 -3.967 525 HG21 THR 70 1HG2 THR 70 6.347 -5.965 -3.060 526 HG22 THR 70 2HG2 THR 70 8.015 -6.192 -2.481 527 HG23 THR 70 3HG2 THR 70 7.702 -5.204 -3.929 528 H LYS 71 H LYS 71 5.008 -8.251 -5.721 529 HA LYS 71 HA LYS 71 5.621 -9.866 -8.036 530 HB2 LYS 71 1HB LYS 71 6.616 -11.155 -6.182 531 HB3 LYS 71 2HB LYS 71 5.079 -11.151 -5.342 532 HG2 LYS 71 1HG LYS 71 4.174 -12.761 -6.709 533 HG3 LYS 71 2HG LYS 71 4.890 -12.081 -8.157 534 HD2 LYS 71 1HD LYS 71 7.167 -12.982 -7.169 535 HD3 LYS 71 2HD LYS 71 6.148 -13.977 -6.148 536 HE2 LYS 71 1HE LYS 71 4.943 -14.485 -8.529 537 HE3 LYS 71 2HE LYS 71 6.542 -14.091 -9.127 538 HZ1 LYS 71 1HZ LYS 71 7.366 -15.702 -7.414 539 HZ2 LYS 71 2HZ LYS 71 5.821 -16.195 -7.223 540 HZ3 LYS 71 3HZ LYS 71 6.556 -16.356 -8.672 541 H VAL 72 H VAL 72 3.730 -10.651 -9.073 542 HA VAL 72 HA VAL 72 1.207 -9.966 -7.776 543 HB VAL 72 HB VAL 72 1.202 -8.075 -8.982 544 HG11 VAL 72 1HG1 VAL 72 3.365 -7.879 -9.765 545 HG12 VAL 72 2HG1 VAL 72 3.302 -9.419 -10.654 546 HG13 VAL 72 3HG1 VAL 72 2.462 -7.987 -11.295 547 HG21 VAL 72 1HG2 VAL 72 -0.520 -9.605 -10.009 548 HG22 VAL 72 2HG2 VAL 72 0.015 -8.266 -11.052 549 HG23 VAL 72 3HG2 VAL 72 0.635 -9.911 -11.328 550 H LYS 73 H LYS 73 0.265 -11.943 -7.619 551 HA LYS 73 HA LYS 73 0.902 -14.128 -9.171 552 HB2 LYS 73 1HB LYS 73 -0.280 -14.124 -6.968 553 HB3 LYS 73 2HB LYS 73 -1.733 -13.574 -7.777 554 HG2 LYS 73 1HG LYS 73 -2.029 -15.915 -7.730 555 HG3 LYS 73 2HG LYS 73 -1.413 -15.643 -9.347 556 HD2 LYS 73 1HD LYS 73 0.091 -17.281 -8.775 557 HD3 LYS 73 2HD LYS 73 0.955 -15.955 -8.024 558 HE2 LYS 73 1HE LYS 73 0.777 -17.732 -6.378 559 HE3 LYS 73 2HE LYS 73 -0.280 -16.433 -5.862 560 HZ1 LYS 73 1HZ LYS 73 -1.184 -18.769 -7.397 561 HZ2 LYS 73 2HZ LYS 73 -1.317 -18.622 -5.776 562 HZ3 LYS 73 3HZ LYS 73 -2.132 -17.604 -6.759 563 H LYS 74 H LYS 74 -0.044 -15.133 -11.000 564 HA LYS 74 HA LYS 74 -1.311 -13.216 -12.773 565 HB2 LYS 74 1HB LYS 74 0.686 -14.555 -13.470 566 HB3 LYS 74 2HB LYS 74 -0.282 -16.010 -13.348 567 HG2 LYS 74 1HG LYS 74 -1.093 -15.647 -15.432 568 HG3 LYS 74 2HG LYS 74 -1.817 -14.146 -14.891 569 HD2 LYS 74 1HD LYS 74 -0.366 -13.037 -16.235 570 HD3 LYS 74 2HD LYS 74 0.928 -13.530 -15.161 571 HE2 LYS 74 1HE LYS 74 -0.091 -15.211 -17.502 572 HE3 LYS 74 2HE LYS 74 1.315 -14.168 -17.580 573 HZ1 LYS 74 1HZ LYS 74 2.211 -15.464 -15.696 574 HZ2 LYS 74 2HZ LYS 74 0.961 -16.506 -15.841 575 HZ3 LYS 74 3HZ LYS 74 2.029 -16.335 -17.065 576 H GLY 75 H GLY 75 -3.480 -13.010 -12.547 577 HA2 GLY 75 1HA GLY 75 -5.539 -14.096 -13.232 578 HA3 GLY 75 2HA GLY 75 -5.036 -15.518 -12.340 579 H SER 76 H SER 76 -4.259 -12.372 -10.954 580 HA SER 76 HA SER 76 -6.447 -12.787 -9.069 581 HB2 SER 76 1HB SER 76 -4.988 -11.704 -7.362 582 HB3 SER 76 2HB SER 76 -4.285 -13.179 -7.997 583 HG SER 76 HG SER 76 -3.539 -10.453 -8.527 584 H LEU 77 H LEU 77 -7.036 -10.609 -7.886 585 HA LEU 77 HA LEU 77 -8.128 -8.864 -9.616 586 HB2 LEU 77 1HB LEU 77 -7.164 -8.581 -6.794 587 HB3 LEU 77 2HB LEU 77 -7.830 -7.193 -7.631 588 HG LEU 77 HG LEU 77 -9.580 -8.163 -6.352 589 HD11 LEU 77 1HD1 LEU 77 -9.763 -7.806 -9.095 590 HD12 LEU 77 2HD1 LEU 77 -10.550 -9.378 -8.818 591 HD13 LEU 77 3HD1 LEU 77 -11.117 -7.933 -7.947 592 HD21 LEU 77 1HD2 LEU 77 -10.251 -10.473 -6.423 593 HD22 LEU 77 2HD2 LEU 77 -9.053 -10.829 -7.690 594 HD23 LEU 77 3HD2 LEU 77 -8.512 -10.387 -6.053 595 H ALA 78 H ALA 78 -4.969 -8.271 -7.909 596 HA ALA 78 HA ALA 78 -4.374 -6.095 -9.653 597 HB1 ALA 78 1HB ALA 78 -3.326 -7.342 -7.222 598 HB2 ALA 78 2HB ALA 78 -2.026 -6.878 -8.347 599 HB3 ALA 78 3HB ALA 78 -3.194 -5.658 -7.784 600 H ASP 79 H ASP 79 -4.948 -7.841 -11.512 601 HA ASP 79 HA ASP 79 -2.611 -8.142 -12.924 602 HB2 ASP 79 1HB ASP 79 -2.373 -10.041 -11.166 603 HB3 ASP 79 2HB ASP 79 -3.700 -10.832 -11.993 604 H THR 80 H THR 80 -5.808 -9.687 -12.161 605 HA THR 80 HA THR 80 -6.381 -10.142 -14.953 606 HB THR 80 HB THR 80 -8.535 -11.021 -13.942 607 HG1 THR 80 1HG THR 80 -8.820 -10.594 -11.743 608 HG21 THR 80 1HG2 THR 80 -6.595 -12.586 -14.004 609 HG22 THR 80 2HG2 THR 80 -5.982 -11.890 -12.485 610 HG23 THR 80 3HG2 THR 80 -7.513 -12.798 -12.494 611 H VAL 81 H VAL 81 -7.115 -7.718 -12.450 612 HA VAL 81 HA VAL 81 -8.678 -6.293 -14.492 613 HB VAL 81 HB VAL 81 -9.693 -5.140 -12.477 614 HG11 VAL 81 1HG1 VAL 81 -11.461 -6.531 -12.658 615 HG12 VAL 81 2HG1 VAL 81 -10.461 -7.361 -13.875 616 HG13 VAL 81 3HG1 VAL 81 -10.510 -7.965 -12.202 617 HG21 VAL 81 1HG2 VAL 81 -7.934 -5.892 -10.863 618 HG22 VAL 81 2HG2 VAL 81 -9.598 -6.227 -10.328 619 HG23 VAL 81 3HG2 VAL 81 -8.592 -7.542 -10.983 620 H GLY 82 H GLY 82 -6.196 -6.130 -11.897 621 HA2 GLY 82 1HA GLY 82 -5.646 -3.340 -12.388 622 HA3 GLY 82 2HA GLY 82 -4.802 -4.429 -11.305 623 H HIS 83 H HIS 83 -4.552 -6.499 -13.576 624 HA HIS 83 HA HIS 83 -2.789 -7.105 -14.789 625 HB2 HIS 83 1HB HIS 83 -3.616 -4.614 -16.308 626 HB3 HIS 83 2HB HIS 83 -2.673 -5.941 -16.959 627 HD1 HIS 83 1HD HIS 83 -3.963 -8.343 -17.063 628 HD2 HIS 83 2HD HIS 83 -6.350 -4.947 -16.461 629 HE1 HIS 83 1HE HIS 83 -6.354 -9.043 -17.617 630 H LEU 84 H LEU 84 -1.926 -5.727 -12.475 631 HA LEU 84 HA LEU 84 -0.068 -3.695 -13.211 632 HB2 LEU 84 1HB LEU 84 -0.497 -5.277 -10.676 633 HB3 LEU 84 2HB LEU 84 0.690 -3.998 -10.839 634 HG LEU 84 HG LEU 84 -2.120 -3.322 -11.569 635 HD11 LEU 84 1HD1 LEU 84 -2.955 -4.161 -9.667 636 HD12 LEU 84 2HD1 LEU 84 -1.348 -4.360 -8.927 637 HD13 LEU 84 3HD1 LEU 84 -2.155 -2.774 -8.890 638 HD21 LEU 84 1HD2 LEU 84 -0.491 -1.599 -11.804 639 HD22 LEU 84 2HD2 LEU 84 -1.477 -1.208 -10.374 640 HD23 LEU 84 3HD2 LEU 84 0.153 -1.895 -10.171 641 H ARG 85 H ARG 85 2.291 -4.314 -11.911 642 HA ARG 85 HA ARG 85 3.149 -6.881 -12.793 643 HB2 ARG 85 1HB ARG 85 3.793 -4.377 -14.313 644 HB3 ARG 85 2HB ARG 85 5.148 -5.448 -14.020 645 HG2 ARG 85 1HG ARG 85 4.396 -6.989 -15.524 646 HG3 ARG 85 2HG ARG 85 2.766 -6.944 -14.882 647 HD2 ARG 85 1HD ARG 85 2.125 -5.122 -16.274 648 HD3 ARG 85 2HD ARG 85 3.782 -4.626 -16.558 649 HE ARG 85 HE ARG 85 3.291 -7.316 -17.552 650 HH11 ARG 85 2HH2 ARG 85 2.872 -3.906 -18.313 651 HH12 ARG 85 1HH2 ARG 85 2.824 -4.162 -20.025 652 HH21 ARG 85 2HH1 ARG 85 3.228 -7.655 -19.811 653 HH22 ARG 85 1HH1 ARG 85 3.028 -6.309 -20.883 654 HA PRO 86 HA PRO 86 5.896 -6.052 -9.507 655 HB2 PRO 86 1HB PRO 86 7.758 -8.021 -9.858 656 HB3 PRO 86 2HB PRO 86 6.205 -8.296 -9.094 657 HG2 PRO 86 1HG PRO 86 7.097 -9.059 -11.807 658 HG3 PRO 86 2HG PRO 86 5.743 -9.677 -10.882 659 HD2 PRO 86 1HD PRO 86 5.626 -7.814 -13.061 660 HD3 PRO 86 2HD PRO 86 4.287 -8.344 -12.061 661 H GLY 87 H GLY 87 6.743 -4.035 -9.686 662 HA2 GLY 87 1HA GLY 87 9.309 -3.530 -9.907 663 HA3 GLY 87 2HA GLY 87 8.930 -3.731 -11.606 664 H ASP 88 H ASP 88 6.033 -2.709 -10.833 665 HA ASP 88 HA ASP 88 6.510 -0.093 -11.657 666 HB2 ASP 88 1HB ASP 88 4.243 -1.822 -11.082 667 HB3 ASP 88 2HB ASP 88 3.955 -0.251 -10.362 668 H GLU 89 H GLU 89 4.886 1.581 -10.087 669 HA GLU 89 HA GLU 89 5.904 1.288 -7.385 670 HB2 GLU 89 1HB GLU 89 7.480 2.795 -8.513 671 HB3 GLU 89 2HB GLU 89 6.166 3.789 -9.109 672 HG2 GLU 89 1HG GLU 89 5.507 4.118 -6.610 673 HG3 GLU 89 2HG GLU 89 7.076 3.441 -6.225 674 H VAL 90 H VAL 90 4.063 1.124 -6.175 675 HA VAL 90 HA VAL 90 1.633 2.335 -7.085 676 HB VAL 90 HB VAL 90 1.580 0.171 -6.062 677 HG11 VAL 90 1HG1 VAL 90 2.075 0.488 -3.347 678 HG12 VAL 90 2HG1 VAL 90 3.142 -0.308 -4.528 679 HG13 VAL 90 3HG1 VAL 90 3.387 1.408 -4.123 680 HG21 VAL 90 1HG2 VAL 90 0.119 0.808 -3.942 681 HG22 VAL 90 2HG2 VAL 90 0.269 2.447 -4.621 682 HG23 VAL 90 3HG2 VAL 90 -0.450 1.143 -5.596 683 H LEU 91 H LEU 91 1.653 4.561 -7.045 684 HA LEU 91 HA LEU 91 2.993 6.048 -5.085 685 HB2 LEU 91 1HB LEU 91 0.860 6.679 -7.110 686 HB3 LEU 91 2HB LEU 91 1.445 7.891 -5.987 687 HG LEU 91 HG LEU 91 2.465 7.718 -8.375 688 HD11 LEU 91 1HD1 LEU 91 4.543 7.865 -6.215 689 HD12 LEU 91 2HD1 LEU 91 4.319 8.887 -7.656 690 HD13 LEU 91 3HD1 LEU 91 3.221 9.056 -6.265 691 HD21 LEU 91 1HD2 LEU 91 3.882 5.458 -6.952 692 HD22 LEU 91 2HD2 LEU 91 3.010 5.416 -8.504 693 HD23 LEU 91 3HD2 LEU 91 4.553 6.294 -8.373 694 H GLU 92 H GLU 92 -0.566 5.451 -5.547 695 HA GLU 92 HA GLU 92 -0.792 5.880 -2.669 696 HB2 GLU 92 1HB GLU 92 -2.904 6.411 -4.805 697 HB3 GLU 92 2HB GLU 92 -3.092 6.700 -3.087 698 HG2 GLU 92 1HG GLU 92 -1.863 8.638 -3.142 699 HG3 GLU 92 2HG GLU 92 -0.666 7.968 -4.234 700 H TRP 93 H TRP 93 -2.874 4.738 -1.753 701 HA TRP 93 HA TRP 93 -3.511 2.298 -3.190 702 HB2 TRP 93 1HB TRP 93 -1.541 1.612 -2.009 703 HB3 TRP 93 2HB TRP 93 -2.116 2.320 -0.512 704 HD1 TRP 93 HD TRP 93 -4.493 1.052 0.491 705 HE1 TRP 93 1HE TRP 93 -5.153 -1.502 0.585 706 HE3 TRP 93 3HE TRP 93 -1.262 -0.457 -3.134 707 HZ2 TRP 93 2HZ TRP 93 -4.269 -3.814 -0.835 708 HZ3 TRP 93 3HZ TRP 93 -1.223 -2.879 -3.720 709 HH2 TRP 93 HH TRP 93 -2.657 -4.535 -2.636 710 H ASN 94 H ASN 94 -5.658 3.072 -3.339 711 HA ASN 94 HA ASN 94 -7.730 3.114 -2.628 712 HB2 ASN 94 1HB ASN 94 -6.527 1.847 -0.430 713 HB3 ASN 94 2HB ASN 94 -7.303 3.234 0.309 714 HD21 ASN 94 1HD2 ASN 94 -8.527 1.455 1.324 715 HD22 ASN 94 2HD2 ASN 94 -9.961 0.872 0.548 716 H GLY 95 H GLY 95 -5.548 5.357 -2.629 717 HA2 GLY 95 1HA GLY 95 -6.092 7.648 -2.687 718 HA3 GLY 95 2HA GLY 95 -7.245 7.415 -1.388 719 H ARG 96 H ARG 96 -4.679 5.499 -0.488 720 HA ARG 96 HA ARG 96 -3.700 7.612 1.214 721 HB2 ARG 96 1HB ARG 96 -3.606 4.577 1.306 722 HB3 ARG 96 2HB ARG 96 -2.499 5.506 2.296 723 HG2 ARG 96 1HG ARG 96 -5.249 6.542 2.481 724 HG3 ARG 96 2HG ARG 96 -5.167 4.850 2.929 725 HD2 ARG 96 1HD ARG 96 -2.994 5.717 4.299 726 HD3 ARG 96 2HD ARG 96 -3.877 7.230 4.248 727 HE ARG 96 HE ARG 96 -4.649 4.796 5.709 728 HH11 ARG 96 2HH2 ARG 96 -5.733 7.885 4.418 729 HH12 ARG 96 1HH2 ARG 96 -7.093 7.999 5.484 730 HH21 ARG 96 2HH1 ARG 96 -6.443 4.946 7.116 731 HH22 ARG 96 1HH1 ARG 96 -7.500 6.316 7.029 732 H LEU 97 H LEU 97 -1.862 8.683 0.554 733 HA LEU 97 HA LEU 97 -0.249 7.712 -1.534 734 HB2 LEU 97 1HB LEU 97 -0.579 10.066 -1.126 735 HB3 LEU 97 2HB LEU 97 0.140 9.939 0.467 736 HG LEU 97 HG LEU 97 2.087 8.949 -1.322 737 HD11 LEU 97 1HD1 LEU 97 0.755 10.009 -3.136 738 HD12 LEU 97 2HD1 LEU 97 0.980 11.581 -2.332 739 HD13 LEU 97 3HD1 LEU 97 2.390 10.689 -2.953 740 HD21 LEU 97 1HD2 LEU 97 1.951 11.683 -0.026 741 HD22 LEU 97 2HD2 LEU 97 2.415 10.183 0.812 742 HD23 LEU 97 3HD2 LEU 97 3.408 10.795 -0.533 743 H LEU 98 H LEU 98 1.615 6.512 -1.555 744 HA LEU 98 HA LEU 98 2.408 5.426 1.037 745 HB2 LEU 98 1HB LEU 98 3.123 4.455 -1.730 746 HB3 LEU 98 2HB LEU 98 3.402 3.628 -0.210 747 HG LEU 98 HG LEU 98 0.749 4.145 -1.568 748 HD11 LEU 98 1HD1 LEU 98 0.577 1.722 -1.640 749 HD12 LEU 98 2HD1 LEU 98 2.075 2.264 -2.434 750 HD13 LEU 98 3HD1 LEU 98 2.138 1.563 -0.799 751 HD21 LEU 98 1HD2 LEU 98 -0.112 4.326 0.495 752 HD22 LEU 98 2HD2 LEU 98 0.126 2.563 0.564 753 HD23 LEU 98 3HD2 LEU 98 1.340 3.654 1.276 754 H GLN 99 H GLN 99 3.384 7.606 -1.524 755 HA GLN 99 HA GLN 99 6.117 7.419 -1.269 756 HB2 GLN 99 1HB GLN 99 4.165 9.433 -2.281 757 HB3 GLN 99 2HB GLN 99 5.741 10.075 -1.864 758 HG2 GLN 99 1HG GLN 99 6.707 8.073 -3.250 759 HG3 GLN 99 2HG GLN 99 5.082 7.900 -3.885 760 HE21 GLN 99 1HE2 GLN 99 7.233 8.474 -5.493 761 HE22 GLN 99 2HE2 GLN 99 7.097 10.071 -6.150 762 H GLY 100 H GLY 100 7.401 7.728 0.493 763 HA2 GLY 100 1HA GLY 100 8.307 9.125 2.135 764 HA3 GLY 100 2HA GLY 100 6.773 9.958 2.295 765 H ALA 101 H ALA 101 5.241 7.317 2.268 766 HA ALA 101 HA ALA 101 5.161 6.954 5.048 767 HB1 ALA 101 1HB ALA 101 3.623 5.079 4.449 768 HB2 ALA 101 2HB ALA 101 3.229 6.592 3.599 769 HB3 ALA 101 3HB ALA 101 4.080 5.285 2.742 770 H THR 102 H THR 102 5.864 5.199 6.365 771 HA THR 102 HA THR 102 8.287 3.957 5.364 772 HB THR 102 HB THR 102 8.779 3.664 7.669 773 HG1 THR 102 1HG THR 102 5.887 3.971 8.059 774 HG21 THR 102 1HG2 THR 102 8.375 5.730 8.712 775 HG22 THR 102 2HG2 THR 102 8.041 6.172 7.020 776 HG23 THR 102 3HG2 THR 102 6.695 5.806 8.127 777 H PHE 103 H PHE 103 8.661 1.583 6.111 778 HA PHE 103 HA PHE 103 7.122 -0.036 4.568 779 HB2 PHE 103 1HB PHE 103 9.324 -0.623 5.572 780 HB3 PHE 103 2HB PHE 103 8.656 -0.515 7.189 781 HD1 PHE 103 2HD PHE 103 8.838 -2.554 4.151 782 HD2 PHE 103 1HD PHE 103 7.324 -2.315 8.108 783 HE1 PHE 103 2HE PHE 103 8.316 -5.009 4.100 784 HE2 PHE 103 1HE PHE 103 6.802 -4.769 8.057 785 HZ PHE 103 HZ PHE 103 7.305 -6.087 6.053 786 H GLU 104 H GLU 104 6.741 0.658 8.102 787 HA GLU 104 HA GLU 104 4.652 -1.144 8.453 788 HB2 GLU 104 1HB GLU 104 5.449 1.358 9.999 789 HB3 GLU 104 2HB GLU 104 4.208 0.248 10.546 790 HG2 GLU 104 1HG GLU 104 6.519 -1.319 9.823 791 HG3 GLU 104 2HG GLU 104 7.074 0.010 10.821 792 H GLU 105 H GLU 105 4.650 2.466 8.004 793 HA GLU 105 HA GLU 105 1.991 2.881 8.101 794 HB2 GLU 105 1HB GLU 105 4.213 4.188 6.520 795 HB3 GLU 105 2HB GLU 105 2.564 4.737 6.296 796 HG2 GLU 105 1HG GLU 105 2.407 4.995 8.843 797 HG3 GLU 105 2HG GLU 105 4.128 4.672 8.915 798 H VAL 106 H VAL 106 3.908 2.201 5.079 799 HA VAL 106 HA VAL 106 1.809 2.110 3.325 800 HB VAL 106 HB VAL 106 4.392 0.545 3.419 801 HG11 VAL 106 1HG1 VAL 106 3.233 0.994 0.768 802 HG12 VAL 106 2HG1 VAL 106 3.922 -0.483 1.483 803 HG13 VAL 106 3HG1 VAL 106 2.223 -0.051 1.796 804 HG21 VAL 106 1HG2 VAL 106 4.190 3.190 3.266 805 HG22 VAL 106 2HG2 VAL 106 5.390 2.289 2.310 806 HG23 VAL 106 3HG2 VAL 106 3.872 2.827 1.553 807 H TYR 107 H TYR 107 3.151 -0.548 5.388 808 HA TYR 107 HA TYR 107 1.436 -2.537 4.447 809 HB2 TYR 107 1HB TYR 107 3.590 -2.568 5.946 810 HB3 TYR 107 2HB TYR 107 2.557 -2.091 7.279 811 HD1 TYR 107 1HD TYR 107 0.302 -3.676 7.403 812 HD2 TYR 107 2HD TYR 107 4.128 -4.815 5.866 813 HE1 TYR 107 1HE TYR 107 -0.236 -6.120 7.854 814 HE2 TYR 107 2HE TYR 107 3.577 -7.255 6.322 815 HH TYR 107 HH TYR 107 1.648 -8.645 6.573 816 H ASN 108 H ASN 108 1.200 -0.470 7.432 817 HA ASN 108 HA ASN 108 -1.035 -1.423 8.488 818 HB2 ASN 108 1HB ASN 108 0.049 1.388 8.204 819 HB3 ASN 108 2HB ASN 108 -1.547 1.202 8.904 820 HD21 ASN 108 1HD2 ASN 108 0.421 2.271 10.391 821 HD22 ASN 108 2HD2 ASN 108 0.933 1.199 11.652 822 H ILE 109 H ILE 109 -0.789 1.031 5.813 823 HA ILE 109 HA ILE 109 -3.414 1.623 5.445 824 HB ILE 109 HB ILE 109 -1.203 1.272 3.423 825 HG12 ILE 109 1HG1 ILE 109 -2.279 3.867 4.513 826 HG13 ILE 109 2HG1 ILE 109 -1.063 2.963 5.393 827 HG21 ILE 109 1HG2 ILE 109 -3.914 1.462 2.841 828 HG22 ILE 109 2HG2 ILE 109 -3.315 3.131 2.684 829 HG23 ILE 109 3HG2 ILE 109 -2.558 1.822 1.746 830 HD11 ILE 109 1HD1 ILE 109 -0.796 4.542 2.913 831 HD12 ILE 109 2HD1 ILE 109 0.450 4.052 4.086 832 HD13 ILE 109 3HD1 ILE 109 -0.051 2.930 2.798 833 H ILE 110 H ILE 110 -1.743 -0.797 3.319 834 HA ILE 110 HA ILE 110 -3.910 -1.942 2.236 835 HB ILE 110 HB ILE 110 -1.282 -3.118 3.097 836 HG12 ILE 110 1HG1 ILE 110 -1.880 -3.031 0.257 837 HG13 ILE 110 2HG1 ILE 110 -2.074 -1.448 0.982 838 HG21 ILE 110 1HG2 ILE 110 -3.653 -4.584 2.378 839 HG22 ILE 110 2HG2 ILE 110 -2.404 -4.787 1.126 840 HG23 ILE 110 3HG2 ILE 110 -2.037 -5.184 2.822 841 HD11 ILE 110 1HD1 ILE 110 0.386 -3.224 1.331 842 HD12 ILE 110 2HD1 ILE 110 0.266 -1.847 0.209 843 HD13 ILE 110 3HD1 ILE 110 0.187 -1.573 1.966 844 H LEU 111 H LEU 111 -2.742 -2.318 5.579 845 HA LEU 111 HA LEU 111 -4.374 -4.543 6.184 846 HB2 LEU 111 1HB LEU 111 -2.356 -3.030 7.418 847 HB3 LEU 111 2HB LEU 111 -3.759 -2.871 8.456 848 HG LEU 111 HG LEU 111 -2.283 -5.379 7.666 849 HD11 LEU 111 1HD1 LEU 111 -1.285 -4.932 9.608 850 HD12 LEU 111 2HD1 LEU 111 -2.492 -3.699 10.044 851 HD13 LEU 111 3HD1 LEU 111 -2.813 -5.417 10.381 852 HD21 LEU 111 1HD2 LEU 111 -4.361 -6.283 7.422 853 HD22 LEU 111 2HD2 LEU 111 -4.183 -6.438 9.186 854 HD23 LEU 111 3HD2 LEU 111 -5.133 -5.097 8.502 855 H GLU 112 H GLU 112 -4.688 -1.001 6.949 856 HA GLU 112 HA GLU 112 -7.188 -1.226 8.069 857 HB2 GLU 112 1HB GLU 112 -5.885 1.107 6.601 858 HB3 GLU 112 2HB GLU 112 -7.363 1.252 7.532 859 HG2 GLU 112 1HG GLU 112 -5.580 -0.100 9.261 860 HG3 GLU 112 2HG GLU 112 -4.584 1.107 8.472 861 H SER 113 H SER 113 -6.194 -1.620 4.785 862 HA SER 113 HA SER 113 -8.987 -1.386 3.979 863 HB2 SER 113 1HB SER 113 -8.042 -0.854 1.649 864 HB3 SER 113 2HB SER 113 -7.911 0.413 2.853 865 HG SER 113 HG SER 113 -5.867 0.360 2.067 866 H LYS 114 H LYS 114 -7.314 -3.674 5.055 867 HA LYS 114 HA LYS 114 -6.726 -5.340 2.817 868 HB2 LYS 114 1HB LYS 114 -6.268 -5.331 5.657 869 HB3 LYS 114 2HB LYS 114 -6.972 -6.869 5.201 870 HG2 LYS 114 1HG LYS 114 -5.196 -6.644 3.170 871 HG3 LYS 114 2HG LYS 114 -4.362 -5.642 4.340 872 HD2 LYS 114 1HD LYS 114 -5.132 -7.856 5.869 873 HD3 LYS 114 2HD LYS 114 -4.750 -8.575 4.317 874 HE2 LYS 114 1HE LYS 114 -2.603 -6.929 4.527 875 HE3 LYS 114 2HE LYS 114 -2.944 -7.121 6.235 876 HZ1 LYS 114 1HZ LYS 114 -2.335 -9.219 4.288 877 HZ2 LYS 114 2HZ LYS 114 -1.540 -8.858 5.669 878 HZ3 LYS 114 3HZ LYS 114 -3.010 -9.568 5.734 879 HA PRO 115 HA PRO 115 -10.836 -7.282 4.092 880 HB2 PRO 115 1HB PRO 115 -12.409 -6.091 5.982 881 HB3 PRO 115 2HB PRO 115 -11.292 -7.391 6.346 882 HG2 PRO 115 1HG PRO 115 -11.027 -4.504 6.924 883 HG3 PRO 115 2HG PRO 115 -10.158 -5.850 7.634 884 HD2 PRO 115 1HD PRO 115 -9.174 -4.024 5.652 885 HD3 PRO 115 2HD PRO 115 -8.348 -5.438 6.277 886 H GLU 116 H GLU 116 -10.373 -4.020 3.501 887 HA GLU 116 HA GLU 116 -12.812 -3.072 2.935 888 HB2 GLU 116 1HB GLU 116 -10.070 -2.573 1.998 889 HB3 GLU 116 2HB GLU 116 -11.257 -2.178 0.770 890 HG2 GLU 116 1HG GLU 116 -12.030 -1.254 3.480 891 HG3 GLU 116 2HG GLU 116 -10.535 -0.541 2.909 892 HA PRO 117 HA PRO 117 -14.387 -5.386 -0.382 893 HB2 PRO 117 1HB PRO 117 -16.164 -3.628 -1.487 894 HB3 PRO 117 2HB PRO 117 -16.513 -4.566 -0.048 895 HG2 PRO 117 1HG PRO 117 -15.849 -1.694 -0.272 896 HG3 PRO 117 2HG PRO 117 -16.603 -2.545 1.061 897 HD2 PRO 117 1HD PRO 117 -13.879 -1.660 0.912 898 HD3 PRO 117 2HD PRO 117 -14.603 -2.612 2.193 899 H GLN 118 H GLN 118 -13.120 -2.232 -1.132 900 HA GLN 118 HA GLN 118 -12.103 -3.426 -3.570 901 HB2 GLN 118 1HB GLN 118 -12.745 -1.538 -4.938 902 HB3 GLN 118 2HB GLN 118 -14.184 -2.107 -4.114 903 HG2 GLN 118 1HG GLN 118 -13.301 -0.287 -2.272 904 HG3 GLN 118 2HG GLN 118 -12.655 0.441 -3.729 905 HE21 GLN 118 1HE2 GLN 118 -14.208 0.501 -5.619 906 HE22 GLN 118 2HE2 GLN 118 -15.836 0.996 -5.298 907 H VAL 119 H VAL 119 -10.322 -1.937 -4.560 908 HA VAL 119 HA VAL 119 -9.080 -0.210 -2.591 909 HB VAL 119 HB VAL 119 -7.653 -2.618 -3.736 910 HG11 VAL 119 1HG1 VAL 119 -5.727 -1.747 -2.987 911 HG12 VAL 119 2HG1 VAL 119 -6.602 -0.202 -2.869 912 HG13 VAL 119 3HG1 VAL 119 -6.455 -1.253 -1.440 913 HG21 VAL 119 1HG2 VAL 119 -7.653 -3.510 -1.448 914 HG22 VAL 119 2HG2 VAL 119 -8.633 -2.128 -0.902 915 HG23 VAL 119 3HG2 VAL 119 -9.312 -3.299 -2.058 916 H GLU 120 H GLU 120 -8.557 1.613 -3.671 917 HA GLU 120 HA GLU 120 -8.193 1.357 -6.536 918 HB2 GLU 120 1HB GLU 120 -9.897 2.970 -5.716 919 HB3 GLU 120 2HB GLU 120 -8.667 3.825 -4.806 920 HG2 GLU 120 1HG GLU 120 -7.419 4.058 -7.101 921 HG3 GLU 120 2HG GLU 120 -8.949 3.604 -7.825 922 H LEU 121 H LEU 121 -6.067 0.892 -7.015 923 HA LEU 121 HA LEU 121 -3.987 2.121 -5.417 924 HB2 LEU 121 1HB LEU 121 -4.234 -0.157 -7.277 925 HB3 LEU 121 2HB LEU 121 -2.710 0.704 -7.350 926 HG LEU 121 HG LEU 121 -2.324 0.318 -4.974 927 HD11 LEU 121 1HD1 LEU 121 -3.934 -1.374 -3.841 928 HD12 LEU 121 2HD1 LEU 121 -4.380 0.348 -3.906 929 HD13 LEU 121 3HD1 LEU 121 -5.111 -0.805 -5.048 930 HD21 LEU 121 1HD2 LEU 121 -2.475 -1.721 -6.989 931 HD22 LEU 121 2HD2 LEU 121 -1.313 -1.534 -5.654 932 HD23 LEU 121 3HD2 LEU 121 -2.829 -2.431 -5.396 933 H VAL 122 H VAL 122 -2.107 3.186 -6.561 934 HA VAL 122 HA VAL 122 -2.803 4.398 -9.097 935 HB VAL 122 HB VAL 122 -2.230 6.067 -6.642 936 HG11 VAL 122 1HG1 VAL 122 -2.763 7.975 -8.109 937 HG12 VAL 122 2HG1 VAL 122 -1.364 7.052 -8.708 938 HG13 VAL 122 3HG1 VAL 122 -2.954 6.860 -9.484 939 HG21 VAL 122 1HG2 VAL 122 -4.475 5.078 -6.522 940 HG22 VAL 122 2HG2 VAL 122 -4.557 6.833 -6.810 941 HG23 VAL 122 3HG2 VAL 122 -4.841 5.697 -8.151 942 H VAL 123 H VAL 123 -1.035 3.855 -10.271 943 HA VAL 123 HA VAL 123 1.556 4.004 -8.902 944 HB VAL 123 HB VAL 123 1.338 1.840 -9.644 945 HG11 VAL 123 1HG1 VAL 123 -0.732 1.844 -10.771 946 HG12 VAL 123 2HG1 VAL 123 -0.153 2.975 -12.017 947 HG13 VAL 123 3HG1 VAL 123 0.446 1.299 -11.989 948 HG21 VAL 123 1HG2 VAL 123 2.794 1.557 -11.600 949 HG22 VAL 123 2HG2 VAL 123 2.569 3.271 -12.024 950 HG23 VAL 123 3HG2 VAL 123 3.410 2.830 -10.518 951 H SER 124 H SER 124 3.408 4.781 -10.294 952 HA SER 124 HA SER 124 2.546 6.538 -12.414 953 HB2 SER 124 1HB SER 124 3.853 7.443 -9.835 954 HB3 SER 124 2HB SER 124 4.137 8.334 -11.316 955 HG SER 124 HG SER 124 2.281 9.070 -9.955 956 H ARG 125 H ARG 125 3.912 6.173 -14.122 957 HA ARG 125 HA ARG 125 6.642 5.437 -13.430 958 HB2 ARG 125 1HB ARG 125 6.685 3.806 -15.214 959 HB3 ARG 125 2HB ARG 125 5.209 3.507 -14.319 960 HG2 ARG 125 1HG ARG 125 4.593 5.473 -16.325 961 HG3 ARG 125 2HG ARG 125 5.514 4.208 -17.113 962 HD2 ARG 125 1HD ARG 125 2.874 3.973 -15.634 963 HD3 ARG 125 2HD ARG 125 3.258 3.455 -17.263 964 HE ARG 125 HE ARG 125 3.867 2.004 -14.768 965 HH11 ARG 125 2HH2 ARG 125 4.471 2.282 -18.223 966 HH12 ARG 125 1HH2 ARG 125 5.047 0.656 -18.383 967 HH21 ARG 125 2HH1 ARG 125 4.626 -0.141 -14.977 968 HH22 ARG 125 1HH1 ARG 125 5.135 -0.732 -16.524 969 H SER 126 H SER 126 8.246 5.940 -15.241 970 HA SER 126 HA SER 126 7.511 8.479 -16.375 971 HB2 SER 126 1HB SER 126 9.894 7.344 -15.328 972 HB3 SER 126 2HB SER 126 10.203 7.562 -17.039 973 HG SER 126 HG SER 126 9.118 9.823 -16.511 974 H GLY 127 H GLY 127 6.758 8.643 -18.453 975 HA2 GLY 127 1HA GLY 127 6.754 8.312 -20.715 976 HA3 GLY 127 2HA GLY 127 7.901 6.998 -20.544 977 HA PRO 128 HA PRO 128 3.505 5.446 -20.910 978 HB2 PRO 128 1HB PRO 128 3.118 5.240 -23.607 979 HB3 PRO 128 2HB PRO 128 2.508 6.576 -22.651 980 HG2 PRO 128 1HG PRO 128 4.812 6.522 -24.503 981 HG3 PRO 128 2HG PRO 128 3.937 7.906 -23.879 982 HD2 PRO 128 1HD PRO 128 6.510 6.972 -23.020 983 HD3 PRO 128 2HD PRO 128 5.584 8.284 -22.320 984 H SER 129 H SER 129 2.694 3.324 -21.924 985 HA SER 129 HA SER 129 4.646 1.465 -21.330 986 HB2 SER 129 1HB SER 129 3.001 -0.150 -22.499 987 HB3 SER 129 2HB SER 129 2.395 0.755 -21.126 988 HG SER 129 HG SER 129 0.867 0.875 -22.825 989 H SER 130 H SER 130 6.468 0.980 -22.494 990 HA SER 130 HA SER 130 7.152 1.930 -24.869 991 HB2 SER 130 1HB SER 130 8.736 0.032 -25.067 992 HB3 SER 130 2HB SER 130 8.672 0.645 -23.426 993 HG SER 130 HG SER 130 6.802 -1.382 -23.904 994 H GLY 131 H GLY 131 4.951 -0.798 -24.228 995 HA2 GLY 131 1HA GLY 131 3.614 -2.009 -25.567 996 HA3 GLY 131 2HA GLY 131 3.666 -0.663 -26.689 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -40.061 9.672 -17.333 2 HA2 GLY 1 1HA GLY 1 -39.588 9.917 -19.531 3 HA3 GLY 1 2HA GLY 1 -38.167 10.743 -18.923 4 H SER 2 H SER 2 -39.461 7.553 -19.964 5 HA SER 2 HA SER 2 -38.522 5.827 -20.884 6 HB2 SER 2 1HB SER 2 -37.563 7.300 -22.545 7 HB3 SER 2 2HB SER 2 -36.288 7.813 -21.457 8 HG SER 2 HG SER 2 -35.518 6.240 -22.992 9 H SER 3 H SER 3 -36.959 4.052 -20.468 10 HA SER 3 HA SER 3 -35.164 4.562 -18.259 11 HB2 SER 3 1HB SER 3 -37.153 3.811 -17.103 12 HB3 SER 3 2HB SER 3 -37.409 2.508 -18.247 13 HG SER 3 HG SER 3 -36.440 1.489 -16.541 14 H GLY 4 H GLY 4 -36.571 1.921 -20.342 15 HA2 GLY 4 1HA GLY 4 -34.022 0.570 -20.493 16 HA3 GLY 4 2HA GLY 4 -35.533 0.104 -21.248 17 H SER 5 H SER 5 -36.203 1.137 -23.274 18 HA SER 5 HA SER 5 -35.886 1.971 -25.253 19 HB2 SER 5 1HB SER 5 -34.789 3.903 -23.642 20 HB3 SER 5 2HB SER 5 -33.408 3.523 -24.652 21 HG SER 5 HG SER 5 -34.578 5.159 -25.697 22 H SER 6 H SER 6 -34.541 1.676 -27.220 23 HA SER 6 HA SER 6 -33.257 -0.647 -27.351 24 HB2 SER 6 1HB SER 6 -33.432 1.756 -29.000 25 HB3 SER 6 2HB SER 6 -31.860 1.006 -29.191 26 HG SER 6 HG SER 6 -33.259 -1.083 -29.396 27 H GLY 7 H GLY 7 -30.926 -1.264 -27.591 28 HA2 GLY 7 1HA GLY 7 -28.762 -1.260 -26.967 29 HA3 GLY 7 2HA GLY 7 -28.845 0.481 -26.784 30 H HIS 8 H HIS 8 -28.967 -2.630 -25.159 31 HA HIS 8 HA HIS 8 -29.509 -1.273 -22.627 32 HB2 HIS 8 1HB HIS 8 -30.145 -3.396 -21.738 33 HB3 HIS 8 2HB HIS 8 -30.989 -3.161 -23.256 34 HD1 HIS 8 1HD HIS 8 -29.000 -5.605 -21.469 35 HD2 HIS 8 2HD HIS 8 -29.599 -4.614 -25.501 36 HE1 HIS 8 1HE HIS 8 -28.222 -7.622 -22.825 37 H SER 9 H SER 9 -28.090 -1.621 -20.810 38 HA SER 9 HA SER 9 -25.895 -3.225 -20.827 39 HB2 SER 9 1HB SER 9 -25.517 -0.877 -22.507 40 HB3 SER 9 2HB SER 9 -24.413 -0.812 -21.147 41 HG SER 9 HG SER 9 -23.268 -2.423 -21.977 42 H HIS 10 H HIS 10 -24.895 -3.120 -18.770 43 HA HIS 10 HA HIS 10 -25.382 -0.730 -17.197 44 HB2 HIS 10 1HB HIS 10 -26.197 -2.101 -15.288 45 HB3 HIS 10 2HB HIS 10 -27.305 -2.022 -16.643 46 HD1 HIS 10 1HD HIS 10 -28.235 -4.277 -15.348 47 HD2 HIS 10 2HD HIS 10 -24.596 -4.600 -17.410 48 HE1 HIS 10 1HE HIS 10 -27.830 -6.772 -15.698 49 H SER 11 H SER 11 -24.100 -0.859 -15.063 50 HA SER 11 HA SER 11 -22.113 -0.924 -14.174 51 HB2 SER 11 1HB SER 11 -22.995 -3.652 -14.524 52 HB3 SER 11 2HB SER 11 -21.252 -3.616 -14.699 53 HG SER 11 HG SER 11 -22.683 -2.407 -12.489 54 H ASP 12 H ASP 12 -21.236 0.520 -15.879 55 HA ASP 12 HA ASP 12 -19.205 -0.894 -17.399 56 HB2 ASP 12 1HB ASP 12 -19.586 0.680 -19.308 57 HB3 ASP 12 2HB ASP 12 -20.965 -0.358 -19.007 58 H LYS 13 H LYS 13 -17.928 -0.087 -15.452 59 HA LYS 13 HA LYS 13 -17.101 2.678 -15.908 60 HB2 LYS 13 1HB LYS 13 -17.985 1.488 -13.273 61 HB3 LYS 13 2HB LYS 13 -16.927 2.883 -13.358 62 HG2 LYS 13 1HG LYS 13 -18.863 3.675 -15.123 63 HG3 LYS 13 2HG LYS 13 -19.826 2.648 -14.079 64 HD2 LYS 13 1HD LYS 13 -18.332 4.094 -12.231 65 HD3 LYS 13 2HD LYS 13 -18.570 5.277 -13.502 66 HE2 LYS 13 1HE LYS 13 -20.495 5.586 -12.179 67 HE3 LYS 13 2HE LYS 13 -21.088 4.524 -13.440 68 HZ1 LYS 13 1HZ LYS 13 -20.295 3.781 -10.720 69 HZ2 LYS 13 2HZ LYS 13 -21.760 3.608 -11.422 70 HZ3 LYS 13 3HZ LYS 13 -20.511 2.667 -11.894 71 H HIS 14 H HIS 14 -15.035 2.494 -16.588 72 HA HIS 14 HA HIS 14 -13.487 0.236 -16.178 73 HB2 HIS 14 1HB HIS 14 -11.588 1.894 -16.810 74 HB3 HIS 14 2HB HIS 14 -12.829 1.499 -17.982 75 HD1 HIS 14 1HD HIS 14 -12.518 4.170 -15.227 76 HD2 HIS 14 2HD HIS 14 -13.639 3.762 -19.248 77 HE1 HIS 14 1HE HIS 14 -13.192 6.500 -16.020 78 HA PRO 15 HA PRO 15 -12.340 0.972 -12.026 79 HB2 PRO 15 1HB PRO 15 -10.990 -1.369 -11.619 80 HB3 PRO 15 2HB PRO 15 -12.726 -1.219 -11.434 81 HG2 PRO 15 1HG PRO 15 -11.197 -2.477 -13.629 82 HG3 PRO 15 2HG PRO 15 -12.886 -2.682 -13.210 83 HD2 PRO 15 1HD PRO 15 -11.832 -1.117 -15.371 84 HD3 PRO 15 2HD PRO 15 -13.510 -1.230 -14.880 85 H VAL 16 H VAL 16 -10.015 -0.160 -14.399 86 HA VAL 16 HA VAL 16 -7.970 1.332 -12.927 87 HB VAL 16 HB VAL 16 -6.415 -0.090 -13.795 88 HG11 VAL 16 1HG1 VAL 16 -7.215 -2.373 -13.636 89 HG12 VAL 16 2HG1 VAL 16 -8.059 -1.369 -12.433 90 HG13 VAL 16 3HG1 VAL 16 -8.889 -1.846 -13.934 91 HG21 VAL 16 1HG2 VAL 16 -6.592 -1.329 -15.894 92 HG22 VAL 16 2HG2 VAL 16 -8.263 -0.755 -16.112 93 HG23 VAL 16 3HG2 VAL 16 -6.911 0.402 -16.162 94 H THR 17 H THR 17 -6.588 2.836 -14.077 95 HA THR 17 HA THR 17 -7.371 3.582 -16.757 96 HB THR 17 HB THR 17 -7.582 6.054 -15.633 97 HG1 THR 17 1HG THR 17 -8.673 4.063 -13.772 98 HG21 THR 17 1HG2 THR 17 -9.372 4.457 -16.901 99 HG22 THR 17 2HG2 THR 17 -10.019 4.321 -15.248 100 HG23 THR 17 3HG2 THR 17 -9.883 5.918 -16.022 101 H TRP 18 H TRP 18 -5.619 4.138 -17.898 102 HA TRP 18 HA TRP 18 -3.239 4.857 -16.327 103 HB2 TRP 18 1HB TRP 18 -3.516 3.348 -18.927 104 HB3 TRP 18 2HB TRP 18 -1.994 3.997 -18.350 105 HD1 TRP 18 HD TRP 18 -4.484 1.169 -17.619 106 HE1 TRP 18 1HE TRP 18 -3.463 -0.614 -15.963 107 HE3 TRP 18 3HE TRP 18 -0.319 3.849 -16.467 108 HZ2 TRP 18 2HZ TRP 18 -1.082 -0.702 -14.393 109 HZ3 TRP 18 3HZ TRP 18 1.303 2.842 -14.864 110 HH2 TRP 18 HH TRP 18 0.974 0.648 -13.838 111 H GLN 19 H GLN 19 -2.994 7.057 -16.403 112 HA GLN 19 HA GLN 19 -3.220 8.263 -19.032 113 HB2 GLN 19 1HB GLN 19 -4.214 9.822 -16.650 114 HB3 GLN 19 2HB GLN 19 -4.627 10.008 -18.342 115 HG2 GLN 19 1HG GLN 19 -6.558 8.944 -17.634 116 HG3 GLN 19 2HG GLN 19 -5.607 7.524 -18.023 117 HE21 GLN 19 1HE2 GLN 19 -7.138 9.373 -15.588 118 HE22 GLN 19 2HE2 GLN 19 -6.767 8.388 -14.213 119 HA PRO 20 HA PRO 20 0.502 10.122 -17.797 120 HB2 PRO 20 1HB PRO 20 0.661 12.221 -19.539 121 HB3 PRO 20 2HB PRO 20 1.087 10.578 -19.976 122 HG2 PRO 20 1HG PRO 20 -1.328 12.121 -20.700 123 HG3 PRO 20 2HG PRO 20 -0.685 10.674 -21.449 124 HD2 PRO 20 1HD PRO 20 -2.931 10.833 -19.672 125 HD3 PRO 20 2HD PRO 20 -2.216 9.374 -20.330 126 H SER 21 H SER 21 1.587 11.898 -16.735 127 HA SER 21 HA SER 21 -0.252 13.122 -14.993 128 HB2 SER 21 1HB SER 21 1.632 13.850 -13.802 129 HB3 SER 21 2HB SER 21 2.237 12.412 -14.599 130 HG SER 21 HG SER 21 3.668 14.303 -14.773 131 H LYS 22 H LYS 22 0.331 15.703 -14.552 132 HA LYS 22 HA LYS 22 -0.952 17.108 -16.497 133 HB2 LYS 22 1HB LYS 22 0.117 17.638 -14.010 134 HB3 LYS 22 2HB LYS 22 1.079 18.669 -15.050 135 HG2 LYS 22 1HG LYS 22 -0.646 20.132 -15.159 136 HG3 LYS 22 2HG LYS 22 -1.601 18.920 -15.991 137 HD2 LYS 22 1HD LYS 22 -1.697 18.109 -13.294 138 HD3 LYS 22 2HD LYS 22 -1.791 19.857 -13.204 139 HE2 LYS 22 1HE LYS 22 -3.496 19.059 -15.370 140 HE3 LYS 22 2HE LYS 22 -3.838 17.973 -14.038 141 HZ1 LYS 22 1HZ LYS 22 -5.171 19.851 -13.750 142 HZ2 LYS 22 2HZ LYS 22 -3.985 20.012 -12.638 143 HZ3 LYS 22 3HZ LYS 22 -3.948 20.901 -14.008 144 H ASP 23 H ASP 23 2.628 16.735 -16.057 145 HA ASP 23 HA ASP 23 3.232 18.269 -18.302 146 HB2 ASP 23 1HB ASP 23 4.627 16.649 -16.317 147 HB3 ASP 23 2HB ASP 23 5.298 16.334 -17.904 148 H GLY 24 H GLY 24 3.729 14.691 -17.760 149 HA2 GLY 24 1HA GLY 24 2.430 13.297 -19.430 150 HA3 GLY 24 2HA GLY 24 3.245 14.264 -20.642 151 H ASP 25 H ASP 25 5.651 14.394 -18.591 152 HA ASP 25 HA ASP 25 7.175 12.491 -19.834 153 HB2 ASP 25 1HB ASP 25 7.416 14.327 -17.540 154 HB3 ASP 25 2HB ASP 25 8.348 12.863 -17.296 155 H ARG 26 H ARG 26 5.089 12.386 -16.938 156 HA ARG 26 HA ARG 26 6.020 9.687 -16.411 157 HB2 ARG 26 1HB ARG 26 4.719 11.838 -14.737 158 HB3 ARG 26 2HB ARG 26 4.405 10.172 -14.295 159 HG2 ARG 26 1HG ARG 26 7.242 11.161 -14.775 160 HG3 ARG 26 2HG ARG 26 6.465 11.363 -13.217 161 HD2 ARG 26 1HD ARG 26 6.416 9.056 -12.778 162 HD3 ARG 26 2HD ARG 26 6.380 8.621 -14.475 163 HE ARG 26 HE ARG 26 8.736 8.777 -14.568 164 HH11 ARG 26 2HH2 ARG 26 7.548 10.042 -11.507 165 HH12 ARG 26 1HH2 ARG 26 9.120 10.117 -10.782 166 HH21 ARG 26 2HH1 ARG 26 10.809 8.875 -13.612 167 HH22 ARG 26 1HH1 ARG 26 10.987 9.449 -11.988 168 H LEU 27 H LEU 27 4.203 8.103 -15.691 169 HA LEU 27 HA LEU 27 1.728 8.695 -17.154 170 HB2 LEU 27 1HB LEU 27 3.539 7.060 -18.185 171 HB3 LEU 27 2HB LEU 27 2.810 5.916 -17.076 172 HG LEU 27 HG LEU 27 1.316 5.481 -18.660 173 HD11 LEU 27 1HD1 LEU 27 0.249 8.295 -18.558 174 HD12 LEU 27 2HD1 LEU 27 -0.630 6.757 -18.733 175 HD13 LEU 27 3HD1 LEU 27 0.094 7.195 -17.167 176 HD21 LEU 27 1HD2 LEU 27 2.067 6.039 -20.672 177 HD22 LEU 27 2HD2 LEU 27 1.202 7.587 -20.519 178 HD23 LEU 27 3HD2 LEU 27 2.907 7.466 -20.020 179 H ILE 28 H ILE 28 0.216 8.977 -15.596 180 HA ILE 28 HA ILE 28 0.480 7.575 -13.098 181 HB ILE 28 HB ILE 28 -1.743 9.376 -14.056 182 HG12 ILE 28 1HG1 ILE 28 0.117 10.749 -14.313 183 HG13 ILE 28 2HG1 ILE 28 -0.435 11.120 -12.692 184 HG21 ILE 28 1HG2 ILE 28 -2.648 9.142 -12.040 185 HG22 ILE 28 2HG2 ILE 28 -1.510 7.802 -11.759 186 HG23 ILE 28 3HG2 ILE 28 -1.092 9.450 -11.232 187 HD11 ILE 28 1HD1 ILE 28 1.249 9.535 -11.750 188 HD12 ILE 28 2HD1 ILE 28 1.818 9.183 -13.399 189 HD13 ILE 28 3HD1 ILE 28 2.015 10.816 -12.719 190 H GLY 29 H GLY 29 -0.220 5.539 -12.778 191 HA2 GLY 29 1HA GLY 29 -2.396 4.563 -14.527 192 HA3 GLY 29 2HA GLY 29 -1.103 3.577 -13.873 193 H ARG 30 H ARG 30 -4.268 3.837 -13.579 194 HA ARG 30 HA ARG 30 -4.190 3.659 -10.673 195 HB2 ARG 30 1HB ARG 30 -5.901 5.205 -12.439 196 HB3 ARG 30 2HB ARG 30 -6.894 4.036 -11.592 197 HG2 ARG 30 1HG ARG 30 -6.117 4.827 -9.419 198 HG3 ARG 30 2HG ARG 30 -4.883 5.828 -10.160 199 HD2 ARG 30 1HD ARG 30 -7.189 6.747 -11.420 200 HD3 ARG 30 2HD ARG 30 -7.788 6.358 -9.819 201 HE ARG 30 HE ARG 30 -5.364 7.764 -9.436 202 HH11 ARG 30 2HH2 ARG 30 -8.539 8.383 -10.822 203 HH12 ARG 30 1HH2 ARG 30 -8.501 10.080 -10.476 204 HH21 ARG 30 2HH1 ARG 30 -5.313 10.003 -8.979 205 HH22 ARG 30 1HH1 ARG 30 -6.653 11.007 -9.420 206 H ILE 31 H ILE 31 -4.887 1.713 -9.775 207 HA ILE 31 HA ILE 31 -6.298 -0.121 -11.582 208 HB ILE 31 HB ILE 31 -3.885 -0.604 -9.864 209 HG12 ILE 31 1HG1 ILE 31 -3.575 -2.034 -12.156 210 HG13 ILE 31 2HG1 ILE 31 -4.575 -0.721 -12.744 211 HG21 ILE 31 1HG2 ILE 31 -5.887 -2.677 -10.795 212 HG22 ILE 31 2HG2 ILE 31 -4.250 -3.041 -10.196 213 HG23 ILE 31 3HG2 ILE 31 -5.444 -2.277 -9.118 214 HD11 ILE 31 1HD1 ILE 31 -2.437 0.219 -10.939 215 HD12 ILE 31 2HD1 ILE 31 -1.815 -0.617 -12.382 216 HD13 ILE 31 3HD1 ILE 31 -2.886 0.794 -12.563 217 H LEU 32 H LEU 32 -8.328 -0.348 -10.820 218 HA LEU 32 HA LEU 32 -8.660 -0.266 -7.906 219 HB2 LEU 32 1HB LEU 32 -9.818 1.498 -9.083 220 HB3 LEU 32 2HB LEU 32 -10.586 0.340 -10.151 221 HG LEU 32 HG LEU 32 -12.022 1.288 -8.303 222 HD11 LEU 32 1HD1 LEU 32 -12.104 -1.122 -9.545 223 HD12 LEU 32 2HD1 LEU 32 -12.071 -1.629 -7.839 224 HD13 LEU 32 3HD1 LEU 32 -13.345 -0.528 -8.415 225 HD21 LEU 32 1HD2 LEU 32 -11.626 0.957 -6.110 226 HD22 LEU 32 2HD2 LEU 32 -10.934 -0.663 -6.363 227 HD23 LEU 32 3HD2 LEU 32 -9.941 0.784 -6.654 228 H LEU 33 H LEU 33 -9.607 -1.983 -6.824 229 HA LEU 33 HA LEU 33 -10.300 -4.278 -8.523 230 HB2 LEU 33 1HB LEU 33 -8.942 -4.347 -5.826 231 HB3 LEU 33 2HB LEU 33 -9.384 -5.731 -6.806 232 HG LEU 33 HG LEU 33 -7.139 -5.561 -7.251 233 HD11 LEU 33 1HD1 LEU 33 -6.961 -5.169 -9.492 234 HD12 LEU 33 2HD1 LEU 33 -8.734 -5.174 -9.333 235 HD13 LEU 33 3HD1 LEU 33 -7.852 -3.630 -9.413 236 HD21 LEU 33 1HD2 LEU 33 -6.908 -3.422 -5.938 237 HD22 LEU 33 2HD2 LEU 33 -5.818 -3.588 -7.336 238 HD23 LEU 33 3HD2 LEU 33 -7.256 -2.545 -7.448 239 H ASN 34 H ASN 34 -12.102 -5.537 -7.877 240 HA ASN 34 HA ASN 34 -13.600 -4.379 -5.667 241 HB2 ASN 34 1HB ASN 34 -14.479 -3.661 -7.975 242 HB3 ASN 34 2HB ASN 34 -14.832 -5.347 -8.299 243 HD21 ASN 34 1HD2 ASN 34 -16.597 -6.293 -7.476 244 HD22 ASN 34 2HD2 ASN 34 -17.778 -5.519 -6.472 245 H LYS 35 H LYS 35 -13.626 -6.079 -4.176 246 HA LYS 35 HA LYS 35 -13.884 -8.793 -5.247 247 HB2 LYS 35 1HB LYS 35 -12.850 -9.572 -3.259 248 HB3 LYS 35 2HB LYS 35 -11.896 -8.214 -3.822 249 HG2 LYS 35 1HG LYS 35 -14.080 -7.385 -2.010 250 HG3 LYS 35 2HG LYS 35 -12.975 -8.513 -1.252 251 HD2 LYS 35 1HD LYS 35 -12.091 -5.985 -2.722 252 HD3 LYS 35 2HD LYS 35 -12.311 -6.082 -0.986 253 HE2 LYS 35 1HE LYS 35 -10.509 -7.649 -0.727 254 HE3 LYS 35 2HE LYS 35 -10.482 -8.033 -2.437 255 HZ1 LYS 35 1HZ LYS 35 -8.716 -6.528 -1.787 256 HZ2 LYS 35 2HZ LYS 35 -9.700 -5.830 -2.887 257 HZ3 LYS 35 3HZ LYS 35 -9.802 -5.404 -1.314 258 H ARG 36 H ARG 36 -15.794 -6.285 -4.224 259 HA ARG 36 HA ARG 36 -17.371 -7.366 -2.275 260 HB2 ARG 36 1HB ARG 36 -17.581 -5.210 -4.294 261 HB3 ARG 36 2HB ARG 36 -19.143 -5.887 -3.880 262 HG2 ARG 36 1HG ARG 36 -18.469 -5.606 -1.404 263 HG3 ARG 36 2HG ARG 36 -17.097 -4.675 -1.972 264 HD2 ARG 36 1HD ARG 36 -18.390 -2.831 -2.291 265 HD3 ARG 36 2HD ARG 36 -19.520 -3.727 -3.288 266 HE ARG 36 HE ARG 36 -20.076 -4.537 -0.661 267 HH11 ARG 36 2HH2 ARG 36 -20.047 -1.491 -2.422 268 HH12 ARG 36 1HH2 ARG 36 -21.279 -0.766 -1.444 269 HH21 ARG 36 2HH1 ARG 36 -21.702 -3.581 0.630 270 HH22 ARG 36 1HH1 ARG 36 -22.227 -1.963 0.304 271 H LEU 37 H LEU 37 -18.865 -9.034 -2.244 272 HA LEU 37 HA LEU 37 -19.132 -10.784 -4.345 273 HB2 LEU 37 1HB LEU 37 -20.906 -10.248 -1.965 274 HB3 LEU 37 2HB LEU 37 -21.152 -11.588 -3.066 275 HG LEU 37 HG LEU 37 -18.536 -11.183 -1.612 276 HD11 LEU 37 1HD1 LEU 37 -21.067 -11.824 -0.432 277 HD12 LEU 37 2HD1 LEU 37 -20.010 -13.254 -0.363 278 HD13 LEU 37 3HD1 LEU 37 -19.463 -11.709 0.331 279 HD21 LEU 37 1HD2 LEU 37 -17.915 -12.884 -2.897 280 HD22 LEU 37 2HD2 LEU 37 -19.070 -13.900 -2.001 281 HD23 LEU 37 3HD2 LEU 37 -19.570 -13.107 -3.514 282 H LYS 38 H LYS 38 -21.634 -11.357 -5.083 283 HA LYS 38 HA LYS 38 -22.235 -9.203 -6.860 284 HB2 LYS 38 1HB LYS 38 -23.386 -11.966 -6.430 285 HB3 LYS 38 2HB LYS 38 -24.069 -10.836 -7.581 286 HG2 LYS 38 1HG LYS 38 -21.172 -10.923 -7.899 287 HG3 LYS 38 2HG LYS 38 -21.818 -12.550 -7.956 288 HD2 LYS 38 1HD LYS 38 -23.520 -11.760 -9.664 289 HD3 LYS 38 2HD LYS 38 -22.741 -10.191 -9.663 290 HE2 LYS 38 1HE LYS 38 -21.688 -11.247 -11.482 291 HE3 LYS 38 2HE LYS 38 -20.536 -11.529 -10.192 292 HZ1 LYS 38 1HZ LYS 38 -22.639 -13.440 -10.937 293 HZ2 LYS 38 2HZ LYS 38 -21.102 -13.516 -11.482 294 HZ3 LYS 38 3HZ LYS 38 -21.413 -13.697 -9.889 295 H ASP 39 H ASP 39 -23.132 -10.077 -3.645 296 HA ASP 39 HA ASP 39 -25.641 -8.649 -3.902 297 HB2 ASP 39 1HB ASP 39 -25.405 -10.910 -2.674 298 HB3 ASP 39 2HB ASP 39 -24.510 -10.047 -1.439 299 H GLY 40 H GLY 40 -22.935 -7.349 -4.058 300 HA2 GLY 40 1HA GLY 40 -21.724 -5.677 -3.150 301 HA3 GLY 40 2HA GLY 40 -23.280 -5.062 -2.631 302 H SER 41 H SER 41 -20.759 -7.500 -1.689 303 HA SER 41 HA SER 41 -20.546 -6.428 0.871 304 HB2 SER 41 1HB SER 41 -21.419 -8.502 2.110 305 HB3 SER 41 2HB SER 41 -22.630 -7.410 1.470 306 HG SER 41 HG SER 41 -21.941 -10.039 0.644 307 H VAL 42 H VAL 42 -18.463 -6.920 1.483 308 HA VAL 42 HA VAL 42 -17.054 -8.909 -0.040 309 HB VAL 42 HB VAL 42 -16.192 -7.055 2.190 310 HG11 VAL 42 1HG1 VAL 42 -14.827 -9.227 1.653 311 HG12 VAL 42 2HG1 VAL 42 -14.314 -8.320 0.210 312 HG13 VAL 42 3HG1 VAL 42 -13.985 -7.670 1.835 313 HG21 VAL 42 1HG2 VAL 42 -16.845 -6.539 -0.542 314 HG22 VAL 42 2HG2 VAL 42 -16.183 -5.421 0.675 315 HG23 VAL 42 3HG2 VAL 42 -15.084 -6.369 -0.354 316 HA PRO 43 HA PRO 43 -17.563 -12.046 2.908 317 HB2 PRO 43 1HB PRO 43 -15.742 -13.845 1.951 318 HB3 PRO 43 2HB PRO 43 -17.359 -13.679 1.297 319 HG2 PRO 43 1HG PRO 43 -14.793 -12.761 0.152 320 HG3 PRO 43 2HG PRO 43 -16.334 -12.988 -0.650 321 HD2 PRO 43 1HD PRO 43 -15.164 -10.492 0.142 322 HD3 PRO 43 2HD PRO 43 -16.754 -10.730 -0.554 323 H ARG 44 H ARG 44 -16.344 -13.476 4.500 324 HA ARG 44 HA ARG 44 -15.108 -11.973 6.262 325 HB2 ARG 44 1HB ARG 44 -15.403 -14.756 5.820 326 HB3 ARG 44 2HB ARG 44 -13.682 -14.543 6.074 327 HG2 ARG 44 1HG ARG 44 -14.600 -12.968 8.096 328 HG3 ARG 44 2HG ARG 44 -15.959 -14.069 7.975 329 HD2 ARG 44 1HD ARG 44 -14.037 -15.936 7.944 330 HD3 ARG 44 2HD ARG 44 -13.086 -14.675 8.703 331 HE ARG 44 HE ARG 44 -15.603 -14.800 10.044 332 HH11 ARG 44 2HH2 ARG 44 -12.700 -16.742 9.619 333 HH12 ARG 44 1HH2 ARG 44 -12.858 -17.544 11.146 334 HH21 ARG 44 2HH1 ARG 44 -15.813 -15.857 12.059 335 HH22 ARG 44 1HH1 ARG 44 -14.641 -17.037 12.544 336 H ASP 45 H ASP 45 -13.539 -13.578 3.431 337 HA ASP 45 HA ASP 45 -11.521 -11.591 3.440 338 HB2 ASP 45 1HB ASP 45 -9.703 -13.519 3.394 339 HB3 ASP 45 2HB ASP 45 -10.239 -12.852 4.924 340 H SER 46 H SER 46 -11.812 -11.169 1.227 341 HA SER 46 HA SER 46 -12.067 -13.471 -0.519 342 HB2 SER 46 1HB SER 46 -13.287 -10.878 -0.438 343 HB3 SER 46 2HB SER 46 -12.329 -10.942 -1.904 344 HG SER 46 HG SER 46 -13.445 -13.209 -2.100 345 H GLY 47 H GLY 47 -10.609 -10.151 -0.855 346 HA2 GLY 47 1HA GLY 47 -8.029 -11.356 -1.524 347 HA3 GLY 47 2HA GLY 47 -8.830 -10.423 -2.773 348 H ALA 48 H ALA 48 -8.113 -10.156 0.788 349 HA ALA 48 HA ALA 48 -8.229 -7.390 0.896 350 HB1 ALA 48 1HB ALA 48 -8.023 -7.996 3.049 351 HB2 ALA 48 2HB ALA 48 -7.468 -9.620 2.573 352 HB3 ALA 48 3HB ALA 48 -6.292 -8.297 2.764 353 H MET 49 H MET 49 -5.561 -9.633 0.018 354 HA MET 49 HA MET 49 -3.800 -7.373 -0.304 355 HB2 MET 49 1HB MET 49 -3.581 -10.308 0.029 356 HB3 MET 49 2HB MET 49 -2.524 -9.725 -1.241 357 HG2 MET 49 1HG MET 49 -2.409 -7.949 1.090 358 HG3 MET 49 2HG MET 49 -2.057 -9.601 1.556 359 HE1 MET 49 1HE MET 49 -1.358 -6.767 -0.920 360 HE2 MET 49 2HE MET 49 -0.373 -6.447 0.527 361 HE3 MET 49 3HE MET 49 0.418 -6.802 -1.028 362 H LEU 50 H LEU 50 -6.274 -8.511 -2.089 363 HA LEU 50 HA LEU 50 -6.845 -8.352 -4.216 364 HB2 LEU 50 1HB LEU 50 -4.208 -6.915 -4.548 365 HB3 LEU 50 2HB LEU 50 -5.472 -6.997 -5.759 366 HG LEU 50 HG LEU 50 -5.505 -4.859 -4.603 367 HD11 LEU 50 1HD1 LEU 50 -7.632 -6.023 -5.385 368 HD12 LEU 50 2HD1 LEU 50 -7.934 -6.391 -3.670 369 HD13 LEU 50 3HD1 LEU 50 -7.820 -4.699 -4.211 370 HD21 LEU 50 1HD2 LEU 50 -6.285 -6.212 -2.029 371 HD22 LEU 50 2HD2 LEU 50 -4.578 -5.906 -2.431 372 HD23 LEU 50 3HD2 LEU 50 -5.720 -4.547 -2.308 373 H GLY 51 H GLY 51 -3.253 -8.807 -4.528 374 HA2 GLY 51 1HA GLY 51 -3.062 -11.480 -4.816 375 HA3 GLY 51 2HA GLY 51 -3.686 -10.987 -6.378 376 H LEU 52 H LEU 52 -1.455 -9.174 -4.179 377 HA LEU 52 HA LEU 52 0.815 -9.793 -5.809 378 HB2 LEU 52 1HB LEU 52 1.222 -7.713 -6.770 379 HB3 LEU 52 2HB LEU 52 -0.454 -8.075 -7.132 380 HG LEU 52 HG LEU 52 -0.996 -6.622 -5.046 381 HD11 LEU 52 1HD1 LEU 52 1.042 -4.760 -5.255 382 HD12 LEU 52 2HD1 LEU 52 0.779 -5.898 -3.911 383 HD13 LEU 52 3HD1 LEU 52 1.900 -6.320 -5.229 384 HD21 LEU 52 1HD2 LEU 52 -0.225 -4.575 -6.797 385 HD22 LEU 52 2HD2 LEU 52 -0.529 -5.993 -7.829 386 HD23 LEU 52 3HD2 LEU 52 -1.796 -5.408 -6.724 387 H LYS 53 H LYS 53 2.737 -8.271 -4.986 388 HA LYS 53 HA LYS 53 2.331 -7.838 -2.114 389 HB2 LYS 53 1HB LYS 53 3.682 -10.006 -3.106 390 HB3 LYS 53 2HB LYS 53 4.986 -8.852 -2.916 391 HG2 LYS 53 1HG LYS 53 3.329 -8.627 -0.580 392 HG3 LYS 53 2HG LYS 53 3.575 -10.338 -0.865 393 HD2 LYS 53 1HD LYS 53 5.831 -10.235 -0.410 394 HD3 LYS 53 2HD LYS 53 6.027 -8.678 -1.189 395 HE2 LYS 53 1HE LYS 53 6.402 -8.303 1.162 396 HE3 LYS 53 2HE LYS 53 4.829 -7.617 0.804 397 HZ1 LYS 53 1HZ LYS 53 5.363 -10.222 2.046 398 HZ2 LYS 53 2HZ LYS 53 4.646 -8.927 2.735 399 HZ3 LYS 53 3HZ LYS 53 3.879 -9.753 1.554 400 H VAL 54 H VAL 54 3.101 -5.910 -1.360 401 HA VAL 54 HA VAL 54 4.789 -4.393 -3.228 402 HB VAL 54 HB VAL 54 2.553 -3.407 -1.446 403 HG11 VAL 54 1HG1 VAL 54 3.595 -1.517 -3.407 404 HG12 VAL 54 2HG1 VAL 54 3.314 -1.314 -1.662 405 HG13 VAL 54 3HG1 VAL 54 4.840 -2.023 -2.241 406 HG21 VAL 54 1HG2 VAL 54 1.315 -4.110 -3.203 407 HG22 VAL 54 2HG2 VAL 54 1.909 -2.617 -3.969 408 HG23 VAL 54 3HG2 VAL 54 2.713 -4.170 -4.303 409 H VAL 55 H VAL 55 6.624 -3.456 -2.378 410 HA VAL 55 HA VAL 55 7.017 -3.903 0.500 411 HB VAL 55 HB VAL 55 8.812 -4.110 -1.890 412 HG11 VAL 55 1HG1 VAL 55 10.690 -4.308 -0.065 413 HG12 VAL 55 2HG1 VAL 55 10.214 -2.712 -0.692 414 HG13 VAL 55 3HG1 VAL 55 9.602 -3.267 0.885 415 HG21 VAL 55 1HG2 VAL 55 7.524 -5.993 -0.431 416 HG22 VAL 55 2HG2 VAL 55 9.064 -6.278 -1.276 417 HG23 VAL 55 3HG2 VAL 55 9.060 -5.901 0.464 418 H GLY 56 H GLY 56 6.801 -2.056 1.648 419 HA2 GLY 56 1HA GLY 56 7.496 0.480 0.311 420 HA3 GLY 56 2HA GLY 56 6.386 0.285 1.653 421 H GLY 57 H GLY 57 8.569 2.144 1.669 422 HA2 GLY 57 1HA GLY 57 9.788 2.738 3.595 423 HA3 GLY 57 2HA GLY 57 10.103 1.047 3.927 424 H LYS 58 H LYS 58 10.376 1.551 0.570 425 HA LYS 58 HA LYS 58 13.172 1.143 0.640 426 HB2 LYS 58 1HB LYS 58 11.756 0.199 -1.106 427 HB3 LYS 58 2HB LYS 58 11.286 1.800 -1.640 428 HG2 LYS 58 1HG LYS 58 13.096 1.851 -3.001 429 HG3 LYS 58 2HG LYS 58 14.134 1.825 -1.589 430 HD2 LYS 58 1HD LYS 58 14.883 -0.108 -2.637 431 HD3 LYS 58 2HD LYS 58 13.615 -0.800 -1.644 432 HE2 LYS 58 1HE LYS 58 12.155 -1.101 -3.454 433 HE3 LYS 58 2HE LYS 58 12.841 0.226 -4.372 434 HZ1 LYS 58 1HZ LYS 58 14.782 -1.105 -4.771 435 HZ2 LYS 58 2HZ LYS 58 14.200 -2.330 -3.863 436 HZ3 LYS 58 3HZ LYS 58 13.456 -1.924 -5.258 437 H MET 59 H MET 59 14.780 2.599 0.871 438 HA MET 59 HA MET 59 14.103 5.335 1.061 439 HB2 MET 59 1HB MET 59 16.324 3.551 1.706 440 HB3 MET 59 2HB MET 59 16.957 4.955 0.871 441 HG2 MET 59 1HG MET 59 15.024 5.188 3.221 442 HG3 MET 59 2HG MET 59 16.762 5.147 3.436 443 HE1 MET 59 1HE MET 59 14.876 8.856 3.526 444 HE2 MET 59 2HE MET 59 13.802 7.536 3.003 445 HE3 MET 59 3HE MET 59 14.871 7.311 4.409 446 H THR 60 H THR 60 13.913 6.753 -0.614 447 HA THR 60 HA THR 60 14.970 6.003 -3.202 448 HB THR 60 HB THR 60 13.744 8.248 -3.753 449 HG1 THR 60 1HG THR 60 12.205 8.608 -1.823 450 HG21 THR 60 1HG2 THR 60 11.612 7.202 -3.799 451 HG22 THR 60 2HG2 THR 60 12.714 5.805 -3.801 452 HG23 THR 60 3HG2 THR 60 11.919 6.308 -2.291 453 H GLU 61 H GLU 61 15.662 8.359 -4.395 454 HA GLU 61 HA GLU 61 18.206 8.778 -3.124 455 HB2 GLU 61 1HB GLU 61 18.691 10.051 -5.283 456 HB3 GLU 61 2HB GLU 61 18.331 8.347 -5.475 457 HG2 GLU 61 1HG GLU 61 16.158 8.761 -6.335 458 HG3 GLU 61 2HG GLU 61 16.076 10.365 -5.634 459 H SER 62 H SER 62 15.183 10.084 -2.751 460 HA SER 62 HA SER 62 16.231 12.786 -2.461 461 HB2 SER 62 1HB SER 62 13.854 11.828 -3.647 462 HB3 SER 62 2HB SER 62 13.331 12.509 -2.119 463 HG SER 62 HG SER 62 14.256 13.793 -4.408 464 H GLY 63 H GLY 63 16.202 10.141 -0.668 465 HA2 GLY 63 1HA GLY 63 16.284 9.783 1.555 466 HA3 GLY 63 2HA GLY 63 16.060 11.501 1.819 467 H ARG 64 H ARG 64 13.772 9.579 -0.134 468 HA ARG 64 HA ARG 64 11.893 9.845 2.075 469 HB2 ARG 64 1HB ARG 64 11.640 10.457 -0.856 470 HB3 ARG 64 2HB ARG 64 10.240 9.721 -0.103 471 HG2 ARG 64 1HG ARG 64 10.438 11.523 1.735 472 HG3 ARG 64 2HG ARG 64 11.617 12.316 0.710 473 HD2 ARG 64 1HD ARG 64 9.658 11.976 -1.137 474 HD3 ARG 64 2HD ARG 64 8.653 11.992 0.298 475 HE ARG 64 HE ARG 64 10.519 14.168 0.451 476 HH11 ARG 64 2HH2 ARG 64 7.650 13.168 -1.324 477 HH12 ARG 64 1HH2 ARG 64 7.132 14.788 -1.653 478 HH21 ARG 64 2HH1 ARG 64 9.836 16.305 0.017 479 HH22 ARG 64 1HH1 ARG 64 8.384 16.584 -0.885 480 H LEU 65 H LEU 65 9.889 8.235 1.637 481 HA LEU 65 HA LEU 65 11.104 5.654 0.954 482 HB2 LEU 65 1HB LEU 65 8.725 6.258 2.717 483 HB3 LEU 65 2HB LEU 65 9.408 4.674 2.405 484 HG LEU 65 HG LEU 65 10.961 6.916 3.719 485 HD11 LEU 65 1HD1 LEU 65 9.877 6.595 5.624 486 HD12 LEU 65 2HD1 LEU 65 8.778 5.459 4.805 487 HD13 LEU 65 3HD1 LEU 65 10.266 4.859 5.576 488 HD21 LEU 65 1HD2 LEU 65 11.474 3.932 3.732 489 HD22 LEU 65 2HD2 LEU 65 12.254 5.083 2.621 490 HD23 LEU 65 3HD2 LEU 65 12.520 5.220 4.376 491 H CYS 66 H CYS 66 9.786 4.088 -0.230 492 HA CYS 66 HA CYS 66 7.452 5.165 -1.542 493 HB2 CYS 66 1HB CYS 66 8.372 4.505 -3.815 494 HB3 CYS 66 2HB CYS 66 9.016 5.977 -3.115 495 HG CYS 66 HG CYS 66 11.032 4.854 -4.184 496 H ALA 67 H ALA 67 6.453 3.316 -2.951 497 HA ALA 67 HA ALA 67 7.198 0.714 -1.808 498 HB1 ALA 67 1HB ALA 67 4.368 0.944 -2.453 499 HB2 ALA 67 2HB ALA 67 5.144 0.469 -0.923 500 HB3 ALA 67 3HB ALA 67 4.857 2.189 -1.280 501 H PHE 68 H PHE 68 7.631 -0.809 -3.333 502 HA PHE 68 HA PHE 68 6.573 -0.291 -6.023 503 HB2 PHE 68 1HB PHE 68 9.241 -1.513 -5.090 504 HB3 PHE 68 2HB PHE 68 8.765 -1.358 -6.769 505 HD1 PHE 68 1HD PHE 68 7.958 1.205 -7.321 506 HD2 PHE 68 2HD PHE 68 10.770 0.037 -4.365 507 HE1 PHE 68 1HE PHE 68 8.995 3.489 -7.405 508 HE2 PHE 68 2HE PHE 68 11.808 2.321 -4.449 509 HZ PHE 68 HZ PHE 68 10.908 4.020 -5.968 510 H ILE 69 H ILE 69 6.003 -2.155 -7.289 511 HA ILE 69 HA ILE 69 5.017 -4.297 -5.699 512 HB ILE 69 HB ILE 69 5.090 -3.796 -8.673 513 HG12 ILE 69 1HG1 ILE 69 2.815 -3.584 -6.679 514 HG13 ILE 69 2HG1 ILE 69 3.740 -2.226 -7.288 515 HG21 ILE 69 1HG2 ILE 69 3.244 -5.809 -7.476 516 HG22 ILE 69 2HG2 ILE 69 3.963 -5.728 -9.102 517 HG23 ILE 69 3HG2 ILE 69 4.945 -6.273 -7.721 518 HD11 ILE 69 1HD1 ILE 69 2.893 -2.448 -9.481 519 HD12 ILE 69 2HD1 ILE 69 2.442 -4.152 -9.235 520 HD13 ILE 69 3HD1 ILE 69 1.485 -2.859 -8.473 521 H THR 70 H THR 70 5.826 -6.345 -5.380 522 HA THR 70 HA THR 70 8.492 -6.819 -6.534 523 HB THR 70 HB THR 70 8.949 -8.055 -4.490 524 HG1 THR 70 1HG THR 70 6.145 -7.494 -3.856 525 HG21 THR 70 1HG2 THR 70 7.991 -5.329 -4.345 526 HG22 THR 70 2HG2 THR 70 7.392 -6.204 -2.915 527 HG23 THR 70 3HG2 THR 70 9.139 -6.144 -3.255 528 H LYS 71 H LYS 71 5.292 -8.301 -5.810 529 HA LYS 71 HA LYS 71 5.716 -10.046 -8.077 530 HB2 LYS 71 1HB LYS 71 6.695 -11.263 -6.126 531 HB3 LYS 71 2HB LYS 71 5.132 -11.205 -5.336 532 HG2 LYS 71 1HG LYS 71 4.223 -12.817 -6.706 533 HG3 LYS 71 2HG LYS 71 5.043 -12.218 -8.135 534 HD2 LYS 71 1HD LYS 71 7.145 -13.183 -6.536 535 HD3 LYS 71 2HD LYS 71 5.863 -14.346 -6.263 536 HE2 LYS 71 1HE LYS 71 5.759 -14.979 -8.538 537 HE3 LYS 71 2HE LYS 71 6.447 -13.468 -9.100 538 HZ1 LYS 71 1HZ LYS 71 8.287 -14.692 -9.215 539 HZ2 LYS 71 2HZ LYS 71 8.420 -14.422 -7.610 540 HZ3 LYS 71 3HZ LYS 71 7.776 -15.821 -8.152 541 H VAL 72 H VAL 72 3.723 -10.862 -8.947 542 HA VAL 72 HA VAL 72 1.303 -9.943 -7.618 543 HB VAL 72 HB VAL 72 1.418 -8.088 -8.898 544 HG11 VAL 72 1HG1 VAL 72 2.437 -8.434 -11.397 545 HG12 VAL 72 2HG1 VAL 72 3.402 -7.966 -9.977 546 HG13 VAL 72 3HG1 VAL 72 3.348 -9.669 -10.494 547 HG21 VAL 72 1HG2 VAL 72 0.077 -8.285 -10.905 548 HG22 VAL 72 2HG2 VAL 72 0.442 -10.023 -11.024 549 HG23 VAL 72 3HG2 VAL 72 -0.543 -9.412 -9.674 550 H LYS 73 H LYS 73 0.102 -11.758 -7.430 551 HA LYS 73 HA LYS 73 0.604 -14.103 -8.779 552 HB2 LYS 73 1HB LYS 73 -0.704 -13.784 -6.656 553 HB3 LYS 73 2HB LYS 73 -2.055 -13.223 -7.620 554 HG2 LYS 73 1HG LYS 73 -2.551 -15.507 -7.421 555 HG3 LYS 73 2HG LYS 73 -1.722 -15.470 -8.965 556 HD2 LYS 73 1HD LYS 73 0.438 -16.037 -7.765 557 HD3 LYS 73 2HD LYS 73 -0.469 -16.188 -6.273 558 HE2 LYS 73 1HE LYS 73 -1.544 -18.156 -6.952 559 HE3 LYS 73 2HE LYS 73 -1.458 -17.748 -8.655 560 HZ1 LYS 73 1HZ LYS 73 0.924 -18.387 -7.068 561 HZ2 LYS 73 2HZ LYS 73 0.079 -19.517 -7.890 562 HZ3 LYS 73 3HZ LYS 73 0.807 -18.296 -8.694 563 H LYS 74 H LYS 74 0.015 -14.987 -10.727 564 HA LYS 74 HA LYS 74 -1.198 -13.151 -12.602 565 HB2 LYS 74 1HB LYS 74 0.734 -14.208 -13.431 566 HB3 LYS 74 2HB LYS 74 0.257 -15.782 -12.828 567 HG2 LYS 74 1HG LYS 74 -1.745 -14.624 -14.669 568 HG3 LYS 74 2HG LYS 74 -0.175 -14.814 -15.422 569 HD2 LYS 74 1HD LYS 74 -1.201 -17.117 -13.776 570 HD3 LYS 74 2HD LYS 74 -1.977 -16.826 -15.320 571 HE2 LYS 74 1HE LYS 74 0.645 -16.623 -16.084 572 HE3 LYS 74 2HE LYS 74 0.818 -17.735 -14.741 573 HZ1 LYS 74 1HZ LYS 74 -1.252 -18.195 -16.743 574 HZ2 LYS 74 2HZ LYS 74 0.288 -18.647 -17.043 575 HZ3 LYS 74 3HZ LYS 74 -0.513 -19.275 -15.766 576 H GLY 75 H GLY 75 -3.384 -12.985 -12.499 577 HA2 GLY 75 1HA GLY 75 -5.366 -14.110 -13.337 578 HA3 GLY 75 2HA GLY 75 -4.897 -15.527 -12.418 579 H SER 76 H SER 76 -4.296 -12.365 -10.976 580 HA SER 76 HA SER 76 -6.598 -12.841 -9.248 581 HB2 SER 76 1HB SER 76 -3.869 -11.651 -8.590 582 HB3 SER 76 2HB SER 76 -5.231 -11.599 -7.488 583 HG SER 76 HG SER 76 -4.360 -14.101 -8.615 584 H LEU 77 H LEU 77 -7.185 -10.621 -8.029 585 HA LEU 77 HA LEU 77 -8.269 -8.912 -9.819 586 HB2 LEU 77 1HB LEU 77 -7.390 -8.594 -6.971 587 HB3 LEU 77 2HB LEU 77 -8.053 -7.224 -7.840 588 HG LEU 77 HG LEU 77 -9.821 -8.215 -6.596 589 HD11 LEU 77 1HD1 LEU 77 -9.942 -7.849 -9.336 590 HD12 LEU 77 2HD1 LEU 77 -10.699 -9.442 -9.095 591 HD13 LEU 77 3HD1 LEU 77 -11.326 -8.019 -8.229 592 HD21 LEU 77 1HD2 LEU 77 -8.740 -10.423 -6.260 593 HD22 LEU 77 2HD2 LEU 77 -10.463 -10.535 -6.691 594 HD23 LEU 77 3HD2 LEU 77 -9.216 -10.874 -7.915 595 H ALA 78 H ALA 78 -5.179 -8.256 -8.010 596 HA ALA 78 HA ALA 78 -4.551 -6.101 -9.771 597 HB1 ALA 78 1HB ALA 78 -3.635 -7.224 -7.254 598 HB2 ALA 78 2HB ALA 78 -2.254 -6.891 -8.327 599 HB3 ALA 78 3HB ALA 78 -3.395 -5.588 -7.913 600 H ASP 79 H ASP 79 -5.006 -7.847 -11.637 601 HA ASP 79 HA ASP 79 -2.609 -8.155 -12.932 602 HB2 ASP 79 1HB ASP 79 -2.445 -10.028 -11.128 603 HB3 ASP 79 2HB ASP 79 -3.704 -10.850 -12.028 604 H THR 80 H THR 80 -5.811 -9.751 -12.291 605 HA THR 80 HA THR 80 -6.255 -10.251 -15.094 606 HB THR 80 HB THR 80 -8.433 -11.151 -14.175 607 HG1 THR 80 1HG THR 80 -8.369 -11.051 -11.699 608 HG21 THR 80 1HG2 THR 80 -6.719 -12.824 -14.046 609 HG22 THR 80 2HG2 THR 80 -5.818 -11.917 -12.808 610 HG23 THR 80 3HG2 THR 80 -7.347 -12.724 -12.383 611 H VAL 81 H VAL 81 -7.239 -7.844 -12.637 612 HA VAL 81 HA VAL 81 -8.723 -6.475 -14.770 613 HB VAL 81 HB VAL 81 -9.753 -5.256 -12.791 614 HG11 VAL 81 1HG1 VAL 81 -10.601 -8.054 -12.437 615 HG12 VAL 81 2HG1 VAL 81 -11.520 -6.636 -12.997 616 HG13 VAL 81 3HG1 VAL 81 -10.492 -7.537 -14.137 617 HG21 VAL 81 1HG2 VAL 81 -8.622 -7.617 -11.251 618 HG22 VAL 81 2HG2 VAL 81 -8.042 -5.939 -11.127 619 HG23 VAL 81 3HG2 VAL 81 -9.699 -6.347 -10.621 620 H GLY 82 H GLY 82 -6.279 -6.175 -12.148 621 HA2 GLY 82 1HA GLY 82 -5.756 -3.402 -12.730 622 HA3 GLY 82 2HA GLY 82 -4.896 -4.449 -11.619 623 H HIS 83 H HIS 83 -4.310 -6.617 -13.495 624 HA HIS 83 HA HIS 83 -2.684 -7.223 -14.839 625 HB2 HIS 83 1HB HIS 83 -3.303 -4.702 -16.401 626 HB3 HIS 83 2HB HIS 83 -2.522 -6.150 -17.006 627 HD1 HIS 83 1HD HIS 83 -4.056 -8.320 -17.275 628 HD2 HIS 83 2HD HIS 83 -6.092 -4.770 -16.355 629 HE1 HIS 83 1HE HIS 83 -6.519 -8.759 -17.775 630 H LEU 84 H LEU 84 -1.848 -5.913 -12.494 631 HA LEU 84 HA LEU 84 0.078 -3.911 -13.168 632 HB2 LEU 84 1HB LEU 84 -0.318 -5.472 -10.612 633 HB3 LEU 84 2HB LEU 84 0.671 -4.039 -10.808 634 HG LEU 84 HG LEU 84 -2.101 -3.621 -11.664 635 HD11 LEU 84 1HD1 LEU 84 -2.462 -3.483 -8.916 636 HD12 LEU 84 2HD1 LEU 84 -3.155 -4.694 -10.022 637 HD13 LEU 84 3HD1 LEU 84 -1.635 -5.040 -9.162 638 HD21 LEU 84 1HD2 LEU 84 -0.278 -2.220 -9.690 639 HD22 LEU 84 2HD2 LEU 84 -0.535 -1.793 -11.398 640 HD23 LEU 84 3HD2 LEU 84 -1.867 -1.626 -10.229 641 H ARG 85 H ARG 85 2.404 -4.468 -11.942 642 HA ARG 85 HA ARG 85 3.220 -7.111 -12.660 643 HB2 ARG 85 1HB ARG 85 3.890 -4.698 -14.296 644 HB3 ARG 85 2HB ARG 85 5.256 -5.727 -13.914 645 HG2 ARG 85 1HG ARG 85 4.433 -7.531 -15.140 646 HG3 ARG 85 2HG ARG 85 2.757 -7.104 -14.858 647 HD2 ARG 85 1HD ARG 85 2.683 -5.607 -16.643 648 HD3 ARG 85 2HD ARG 85 4.371 -5.161 -16.486 649 HE ARG 85 HE ARG 85 4.210 -7.918 -17.269 650 HH11 ARG 85 2HH2 ARG 85 3.669 -4.690 -18.561 651 HH12 ARG 85 1HH2 ARG 85 3.989 -5.153 -20.199 652 HH21 ARG 85 2HH1 ARG 85 4.632 -8.530 -19.430 653 HH22 ARG 85 1HH1 ARG 85 4.540 -7.352 -20.697 654 HA PRO 86 HA PRO 86 5.991 -6.206 -9.415 655 HB2 PRO 86 1HB PRO 86 7.912 -8.118 -9.764 656 HB3 PRO 86 2HB PRO 86 6.369 -8.439 -8.999 657 HG2 PRO 86 1HG PRO 86 7.283 -9.178 -11.712 658 HG3 PRO 86 2HG PRO 86 5.949 -9.836 -10.786 659 HD2 PRO 86 1HD PRO 86 5.774 -7.982 -12.967 660 HD3 PRO 86 2HD PRO 86 4.452 -8.550 -11.966 661 H GLY 87 H GLY 87 6.722 -4.138 -9.679 662 HA2 GLY 87 1HA GLY 87 9.301 -3.572 -9.886 663 HA3 GLY 87 2HA GLY 87 8.902 -3.770 -11.581 664 H ASP 88 H ASP 88 5.996 -2.839 -10.850 665 HA ASP 88 HA ASP 88 6.371 -0.214 -11.638 666 HB2 ASP 88 1HB ASP 88 4.162 -1.997 -10.943 667 HB3 ASP 88 2HB ASP 88 3.858 -0.396 -10.299 668 H GLU 89 H GLU 89 5.007 1.578 -10.144 669 HA GLU 89 HA GLU 89 5.980 1.261 -7.418 670 HB2 GLU 89 1HB GLU 89 7.567 2.723 -8.572 671 HB3 GLU 89 2HB GLU 89 6.268 3.719 -9.198 672 HG2 GLU 89 1HG GLU 89 5.609 4.186 -6.749 673 HG3 GLU 89 2HG GLU 89 7.111 3.412 -6.283 674 H VAL 90 H VAL 90 4.049 0.977 -6.336 675 HA VAL 90 HA VAL 90 1.690 2.346 -7.177 676 HB VAL 90 HB VAL 90 1.466 0.165 -6.298 677 HG11 VAL 90 1HG1 VAL 90 3.201 1.176 -4.056 678 HG12 VAL 90 2HG1 VAL 90 2.097 -0.194 -3.784 679 HG13 VAL 90 3HG1 VAL 90 3.359 -0.302 -5.036 680 HG21 VAL 90 1HG2 VAL 90 0.439 2.374 -4.542 681 HG22 VAL 90 2HG2 VAL 90 -0.443 1.283 -5.638 682 HG23 VAL 90 3HG2 VAL 90 0.153 0.681 -4.073 683 H LEU 91 H LEU 91 1.733 4.557 -6.993 684 HA LEU 91 HA LEU 91 3.123 5.906 -4.973 685 HB2 LEU 91 1HB LEU 91 0.836 6.810 -6.730 686 HB3 LEU 91 2HB LEU 91 1.835 7.865 -5.750 687 HG LEU 91 HG LEU 91 2.672 6.244 -8.162 688 HD11 LEU 91 1HD1 LEU 91 2.114 9.109 -7.609 689 HD12 LEU 91 2HD1 LEU 91 3.492 8.743 -8.674 690 HD13 LEU 91 3HD1 LEU 91 1.866 8.148 -9.086 691 HD21 LEU 91 1HD2 LEU 91 4.891 7.673 -7.577 692 HD22 LEU 91 2HD2 LEU 91 4.310 7.301 -5.937 693 HD23 LEU 91 3HD2 LEU 91 4.634 5.981 -7.087 694 H GLU 92 H GLU 92 -0.452 5.375 -5.397 695 HA GLU 92 HA GLU 92 -0.613 5.623 -2.494 696 HB2 GLU 92 1HB GLU 92 -2.790 6.328 -4.509 697 HB3 GLU 92 2HB GLU 92 -2.864 6.567 -2.775 698 HG2 GLU 92 1HG GLU 92 -1.758 8.543 -2.927 699 HG3 GLU 92 2HG GLU 92 -0.439 7.800 -3.811 700 H TRP 93 H TRP 93 -2.714 4.473 -1.621 701 HA TRP 93 HA TRP 93 -3.314 2.092 -3.202 702 HB2 TRP 93 1HB TRP 93 -1.506 1.333 -1.860 703 HB3 TRP 93 2HB TRP 93 -2.147 2.102 -0.421 704 HD1 TRP 93 HD TRP 93 -4.558 0.934 0.535 705 HE1 TRP 93 1HE TRP 93 -5.354 -1.581 0.615 706 HE3 TRP 93 3HE TRP 93 -1.343 -0.745 -3.029 707 HZ2 TRP 93 2HZ TRP 93 -4.567 -3.937 -0.790 708 HZ3 TRP 93 3HZ TRP 93 -1.421 -3.166 -3.616 709 HH2 TRP 93 HH TRP 93 -2.962 -4.743 -2.561 710 H ASN 94 H ASN 94 -5.430 2.883 -3.560 711 HA ASN 94 HA ASN 94 -7.559 2.975 -3.075 712 HB2 ASN 94 1HB ASN 94 -6.658 1.550 -0.861 713 HB3 ASN 94 2HB ASN 94 -7.377 2.951 -0.093 714 HD21 ASN 94 1HD2 ASN 94 -8.286 0.267 0.061 715 HD22 ASN 94 2HD2 ASN 94 -9.882 0.176 -0.607 716 H GLY 95 H GLY 95 -5.399 5.185 -2.822 717 HA2 GLY 95 1HA GLY 95 -6.001 7.484 -2.845 718 HA3 GLY 95 2HA GLY 95 -7.138 7.195 -1.543 719 H ARG 96 H ARG 96 -4.791 5.255 -0.483 720 HA ARG 96 HA ARG 96 -3.723 7.323 1.180 721 HB2 ARG 96 1HB ARG 96 -3.703 4.292 1.204 722 HB3 ARG 96 2HB ARG 96 -2.524 5.147 2.179 723 HG2 ARG 96 1HG ARG 96 -5.266 6.241 2.447 724 HG3 ARG 96 2HG ARG 96 -5.144 4.564 2.943 725 HD2 ARG 96 1HD ARG 96 -2.992 5.373 4.260 726 HD3 ARG 96 2HD ARG 96 -3.677 6.974 4.063 727 HE ARG 96 HE ARG 96 -5.566 4.966 5.099 728 HH11 ARG 96 2HH2 ARG 96 -3.196 7.437 5.910 729 HH12 ARG 96 1HH2 ARG 96 -3.811 7.684 7.510 730 HH21 ARG 96 2HH1 ARG 96 -6.379 5.292 7.210 731 HH22 ARG 96 1HH1 ARG 96 -5.634 6.456 8.254 732 H LEU 97 H LEU 97 -1.887 8.409 0.539 733 HA LEU 97 HA LEU 97 -0.247 7.451 -1.540 734 HB2 LEU 97 1HB LEU 97 -0.609 9.806 -1.126 735 HB3 LEU 97 2HB LEU 97 0.117 9.680 0.465 736 HG LEU 97 HG LEU 97 2.038 8.708 -1.392 737 HD11 LEU 97 1HD1 LEU 97 0.996 11.425 -2.227 738 HD12 LEU 97 2HD1 LEU 97 2.336 10.500 -2.946 739 HD13 LEU 97 3HD1 LEU 97 0.664 9.911 -3.103 740 HD21 LEU 97 1HD2 LEU 97 3.421 10.417 -0.488 741 HD22 LEU 97 2HD2 LEU 97 2.015 11.393 0.001 742 HD23 LEU 97 3HD2 LEU 97 2.361 9.854 0.826 743 H LEU 98 H LEU 98 1.612 6.250 -1.537 744 HA LEU 98 HA LEU 98 2.371 5.153 1.056 745 HB2 LEU 98 1HB LEU 98 3.154 4.261 -1.721 746 HB3 LEU 98 2HB LEU 98 3.467 3.415 -0.219 747 HG LEU 98 HG LEU 98 0.807 3.842 -1.589 748 HD11 LEU 98 1HD1 LEU 98 1.974 1.222 -0.678 749 HD12 LEU 98 2HD1 LEU 98 0.759 1.546 -1.938 750 HD13 LEU 98 3HD1 LEU 98 2.467 1.960 -2.221 751 HD21 LEU 98 1HD2 LEU 98 1.388 3.257 1.270 752 HD22 LEU 98 2HD2 LEU 98 0.007 4.092 0.520 753 HD23 LEU 98 3HD2 LEU 98 0.097 2.314 0.488 754 H GLN 99 H GLN 99 3.392 7.388 -1.446 755 HA GLN 99 HA GLN 99 6.112 7.255 -1.119 756 HB2 GLN 99 1HB GLN 99 4.152 9.297 -2.079 757 HB3 GLN 99 2HB GLN 99 5.737 9.909 -1.651 758 HG2 GLN 99 1HG GLN 99 6.698 7.981 -3.108 759 HG3 GLN 99 2HG GLN 99 5.066 7.768 -3.710 760 HE21 GLN 99 1HE2 GLN 99 7.367 8.519 -5.203 761 HE22 GLN 99 2HE2 GLN 99 7.100 10.088 -5.889 762 H GLY 100 H GLY 100 7.360 7.538 0.673 763 HA2 GLY 100 1HA GLY 100 8.202 8.903 2.377 764 HA3 GLY 100 2HA GLY 100 6.642 9.685 2.541 765 H ALA 101 H ALA 101 5.131 7.072 2.432 766 HA ALA 101 HA ALA 101 5.087 6.575 5.194 767 HB1 ALA 101 1HB ALA 101 3.918 5.166 2.770 768 HB2 ALA 101 2HB ALA 101 3.591 4.647 4.441 769 HB3 ALA 101 3HB ALA 101 3.098 6.270 3.901 770 H THR 102 H THR 102 5.882 4.841 6.438 771 HA THR 102 HA THR 102 8.247 3.604 5.331 772 HB THR 102 HB THR 102 8.777 3.214 7.608 773 HG1 THR 102 1HG THR 102 5.882 3.439 8.039 774 HG21 THR 102 1HG2 THR 102 6.710 5.253 8.347 775 HG22 THR 102 2HG2 THR 102 8.460 5.252 8.670 776 HG23 THR 102 3HG2 THR 102 7.850 5.744 7.072 777 H PHE 103 H PHE 103 8.651 1.215 5.821 778 HA PHE 103 HA PHE 103 7.132 -0.337 4.260 779 HB2 PHE 103 1HB PHE 103 9.302 -0.948 5.366 780 HB3 PHE 103 2HB PHE 103 8.516 -0.983 6.932 781 HD1 PHE 103 1HD PHE 103 6.974 -2.818 7.506 782 HD2 PHE 103 2HD PHE 103 9.116 -2.799 3.843 783 HE1 PHE 103 1HE PHE 103 6.490 -5.263 7.210 784 HE2 PHE 103 2HE PHE 103 8.631 -5.244 3.547 785 HZ PHE 103 HZ PHE 103 7.324 -6.447 5.234 786 H GLU 104 H GLU 104 6.687 0.054 7.845 787 HA GLU 104 HA GLU 104 4.534 -1.675 7.998 788 HB2 GLU 104 1HB GLU 104 5.542 0.602 9.719 789 HB3 GLU 104 2HB GLU 104 4.038 -0.197 10.129 790 HG2 GLU 104 1HG GLU 104 6.114 -2.166 9.492 791 HG3 GLU 104 2HG GLU 104 6.661 -1.077 10.751 792 H GLU 105 H GLU 105 4.576 1.966 7.912 793 HA GLU 105 HA GLU 105 1.934 2.411 7.919 794 HB2 GLU 105 1HB GLU 105 4.242 3.811 6.568 795 HB3 GLU 105 2HB GLU 105 2.616 4.394 6.272 796 HG2 GLU 105 1HG GLU 105 2.419 4.236 8.940 797 HG3 GLU 105 2HG GLU 105 4.167 4.330 8.865 798 H VAL 106 H VAL 106 3.979 1.567 5.056 799 HA VAL 106 HA VAL 106 1.964 1.799 3.149 800 HB VAL 106 HB VAL 106 4.531 0.240 3.339 801 HG11 VAL 106 1HG1 VAL 106 2.592 0.320 1.005 802 HG12 VAL 106 2HG1 VAL 106 4.286 -0.212 0.886 803 HG13 VAL 106 3HG1 VAL 106 3.140 -1.112 1.909 804 HG21 VAL 106 1HG2 VAL 106 4.851 2.602 3.122 805 HG22 VAL 106 2HG2 VAL 106 5.190 1.874 1.533 806 HG23 VAL 106 3HG2 VAL 106 3.644 2.710 1.818 807 H TYR 107 H TYR 107 2.996 -0.945 5.251 808 HA TYR 107 HA TYR 107 1.215 -2.801 4.078 809 HB2 TYR 107 1HB TYR 107 3.271 -3.341 5.425 810 HB3 TYR 107 2HB TYR 107 2.606 -2.500 6.811 811 HD1 TYR 107 2HD TYR 107 0.382 -3.441 7.801 812 HD2 TYR 107 1HD TYR 107 2.942 -5.650 5.180 813 HE1 TYR 107 2HE TYR 107 -0.648 -5.617 8.618 814 HE2 TYR 107 1HE TYR 107 1.903 -7.819 6.006 815 HH TYR 107 HH TYR 107 0.416 -8.731 7.272 816 H ASN 108 H ASN 108 1.124 -1.049 7.269 817 HA ASN 108 HA ASN 108 -1.173 -1.901 8.232 818 HB2 ASN 108 1HB ASN 108 0.098 0.843 8.179 819 HB3 ASN 108 2HB ASN 108 -1.510 0.713 8.862 820 HD21 ASN 108 1HD2 ASN 108 1.841 -0.015 9.203 821 HD22 ASN 108 2HD2 ASN 108 1.810 -0.685 10.800 822 H ILE 109 H ILE 109 -0.688 0.299 5.450 823 HA ILE 109 HA ILE 109 -3.341 1.205 5.242 824 HB ILE 109 HB ILE 109 -1.004 1.057 3.358 825 HG12 ILE 109 1HG1 ILE 109 -2.412 3.491 4.464 826 HG13 ILE 109 2HG1 ILE 109 -1.140 2.674 5.351 827 HG21 ILE 109 1HG2 ILE 109 -3.782 1.305 2.630 828 HG22 ILE 109 2HG2 ILE 109 -2.911 2.815 2.269 829 HG23 ILE 109 3HG2 ILE 109 -2.334 1.271 1.596 830 HD11 ILE 109 1HD1 ILE 109 0.399 3.796 4.132 831 HD12 ILE 109 2HD1 ILE 109 -0.189 2.974 2.667 832 HD13 ILE 109 3HD1 ILE 109 -0.891 4.535 3.154 833 H ILE 110 H ILE 110 -1.562 -1.277 3.262 834 HA ILE 110 HA ILE 110 -3.803 -2.210 1.945 835 HB ILE 110 HB ILE 110 -1.168 -3.485 2.651 836 HG12 ILE 110 1HG1 ILE 110 -1.819 -2.935 -0.153 837 HG13 ILE 110 2HG1 ILE 110 -1.835 -1.492 0.841 838 HG21 ILE 110 1HG2 ILE 110 -2.323 -4.831 0.451 839 HG22 ILE 110 2HG2 ILE 110 -1.932 -5.480 2.062 840 HG23 ILE 110 3HG2 ILE 110 -3.548 -4.806 1.742 841 HD11 ILE 110 1HD1 ILE 110 0.431 -1.965 -0.098 842 HD12 ILE 110 2HD1 ILE 110 0.431 -1.991 1.682 843 HD13 ILE 110 3HD1 ILE 110 0.448 -3.519 0.770 844 H LEU 111 H LEU 111 -2.453 -3.032 5.163 845 HA LEU 111 HA LEU 111 -4.190 -5.235 5.563 846 HB2 LEU 111 1HB LEU 111 -2.105 -5.122 6.713 847 HB3 LEU 111 2HB LEU 111 -2.490 -3.558 7.404 848 HG LEU 111 HG LEU 111 -2.647 -5.686 8.876 849 HD11 LEU 111 1HD1 LEU 111 -4.194 -4.636 10.305 850 HD12 LEU 111 2HD1 LEU 111 -3.425 -3.316 9.392 851 HD13 LEU 111 3HD1 LEU 111 -5.058 -3.870 8.951 852 HD21 LEU 111 1HD2 LEU 111 -5.485 -5.900 8.018 853 HD22 LEU 111 2HD2 LEU 111 -4.260 -6.654 6.970 854 HD23 LEU 111 3HD2 LEU 111 -4.383 -7.130 8.681 855 H GLU 112 H GLU 112 -4.352 -1.713 6.133 856 HA GLU 112 HA GLU 112 -6.637 -1.885 7.767 857 HB2 GLU 112 1HB GLU 112 -5.101 0.298 6.387 858 HB3 GLU 112 2HB GLU 112 -6.738 0.669 6.889 859 HG2 GLU 112 1HG GLU 112 -5.323 -0.765 9.013 860 HG3 GLU 112 2HG GLU 112 -4.408 0.645 8.516 861 H SER 113 H SER 113 -6.047 -2.017 4.316 862 HA SER 113 HA SER 113 -8.812 -1.370 3.765 863 HB2 SER 113 1HB SER 113 -8.130 -1.388 1.395 864 HB3 SER 113 2HB SER 113 -7.080 -0.344 2.332 865 HG SER 113 HG SER 113 -6.508 -3.041 1.444 866 H LYS 114 H LYS 114 -7.880 -3.861 5.222 867 HA LYS 114 HA LYS 114 -8.030 -6.034 3.432 868 HB2 LYS 114 1HB LYS 114 -7.883 -5.600 6.347 869 HB3 LYS 114 2HB LYS 114 -8.747 -7.051 5.879 870 HG2 LYS 114 1HG LYS 114 -6.438 -6.912 4.191 871 HG3 LYS 114 2HG LYS 114 -5.886 -6.533 5.810 872 HD2 LYS 114 1HD LYS 114 -7.682 -8.705 6.145 873 HD3 LYS 114 2HD LYS 114 -6.759 -9.104 4.710 874 HE2 LYS 114 1HE LYS 114 -4.655 -8.423 6.125 875 HE3 LYS 114 2HE LYS 114 -5.718 -8.546 7.512 876 HZ1 LYS 114 1HZ LYS 114 -4.754 -10.632 5.769 877 HZ2 LYS 114 2HZ LYS 114 -5.029 -10.663 7.379 878 HZ3 LYS 114 3HZ LYS 114 -6.276 -10.809 6.334 879 HA PRO 115 HA PRO 115 -12.580 -6.044 4.711 880 HB2 PRO 115 1HB PRO 115 -13.625 -3.929 6.090 881 HB3 PRO 115 2HB PRO 115 -13.070 -5.399 6.866 882 HG2 PRO 115 1HG PRO 115 -11.767 -2.747 6.772 883 HG3 PRO 115 2HG PRO 115 -11.463 -4.082 7.867 884 HD2 PRO 115 1HD PRO 115 -9.852 -3.299 5.626 885 HD3 PRO 115 2HD PRO 115 -9.613 -4.701 6.650 886 H GLU 116 H GLU 116 -11.120 -3.083 3.737 887 HA GLU 116 HA GLU 116 -13.071 -1.721 2.599 888 HB2 GLU 116 1HB GLU 116 -10.226 -2.165 2.014 889 HB3 GLU 116 2HB GLU 116 -11.121 -1.727 0.572 890 HG2 GLU 116 1HG GLU 116 -11.716 -0.134 3.048 891 HG3 GLU 116 2HG GLU 116 -10.139 0.111 2.324 892 HA PRO 117 HA PRO 117 -14.942 -4.280 -0.377 893 HB2 PRO 117 1HB PRO 117 -16.414 -2.420 -1.736 894 HB3 PRO 117 2HB PRO 117 -16.929 -3.127 -0.217 895 HG2 PRO 117 1HG PRO 117 -15.840 -0.427 -0.731 896 HG3 PRO 117 2HG PRO 117 -16.741 -1.001 0.658 897 HD2 PRO 117 1HD PRO 117 -13.913 -0.544 0.516 898 HD3 PRO 117 2HD PRO 117 -14.798 -1.228 1.866 899 H GLN 118 H GLN 118 -13.089 -1.525 -1.352 900 HA GLN 118 HA GLN 118 -12.272 -3.097 -3.640 901 HB2 GLN 118 1HB GLN 118 -12.432 -1.116 -5.142 902 HB3 GLN 118 2HB GLN 118 -14.001 -1.620 -4.547 903 HG2 GLN 118 1HG GLN 118 -13.232 0.174 -2.581 904 HG3 GLN 118 2HG GLN 118 -12.483 0.882 -3.998 905 HE21 GLN 118 1HE2 GLN 118 -13.958 0.785 -6.016 906 HE22 GLN 118 2HE2 GLN 118 -15.582 1.349 -5.801 907 H VAL 119 H VAL 119 -10.356 -1.669 -4.799 908 HA VAL 119 HA VAL 119 -8.830 -0.212 -2.828 909 HB VAL 119 HB VAL 119 -7.684 -2.709 -4.079 910 HG11 VAL 119 1HG1 VAL 119 -6.583 -0.466 -2.593 911 HG12 VAL 119 2HG1 VAL 119 -6.272 -2.010 -1.764 912 HG13 VAL 119 3HG1 VAL 119 -5.749 -1.784 -3.451 913 HG21 VAL 119 1HG2 VAL 119 -7.834 -3.704 -1.792 914 HG22 VAL 119 2HG2 VAL 119 -8.838 -2.319 -1.299 915 HG23 VAL 119 3HG2 VAL 119 -9.416 -3.433 -2.560 916 H GLU 120 H GLU 120 -8.572 1.616 -4.033 917 HA GLU 120 HA GLU 120 -8.018 1.273 -6.848 918 HB2 GLU 120 1HB GLU 120 -9.756 2.903 -6.159 919 HB3 GLU 120 2HB GLU 120 -8.578 3.781 -5.203 920 HG2 GLU 120 1HG GLU 120 -7.239 3.817 -7.544 921 HG3 GLU 120 2HG GLU 120 -8.851 3.615 -8.201 922 H LEU 121 H LEU 121 -5.888 0.900 -7.327 923 HA LEU 121 HA LEU 121 -3.852 2.041 -5.623 924 HB2 LEU 121 1HB LEU 121 -3.637 0.269 -8.061 925 HB3 LEU 121 2HB LEU 121 -2.321 0.715 -6.993 926 HG LEU 121 HG LEU 121 -4.584 -1.192 -6.537 927 HD11 LEU 121 1HD1 LEU 121 -1.698 -1.396 -5.669 928 HD12 LEU 121 2HD1 LEU 121 -2.893 -2.698 -5.883 929 HD13 LEU 121 3HD1 LEU 121 -2.246 -1.841 -7.303 930 HD21 LEU 121 1HD2 LEU 121 -3.808 -1.164 -4.057 931 HD22 LEU 121 2HD2 LEU 121 -3.276 0.495 -4.422 932 HD23 LEU 121 3HD2 LEU 121 -4.986 0.045 -4.622 933 H VAL 122 H VAL 122 -1.932 3.161 -6.691 934 HA VAL 122 HA VAL 122 -2.634 4.598 -9.107 935 HB VAL 122 HB VAL 122 -1.954 6.061 -6.552 936 HG11 VAL 122 1HG1 VAL 122 -1.207 7.232 -8.539 937 HG12 VAL 122 2HG1 VAL 122 -2.801 7.025 -9.304 938 HG13 VAL 122 3HG1 VAL 122 -2.630 8.062 -7.867 939 HG21 VAL 122 1HG2 VAL 122 -4.654 5.844 -7.926 940 HG22 VAL 122 2HG2 VAL 122 -4.199 5.026 -6.412 941 HG23 VAL 122 3HG2 VAL 122 -4.273 6.804 -6.476 942 H VAL 123 H VAL 123 -0.902 3.830 -10.265 943 HA VAL 123 HA VAL 123 1.719 4.026 -8.966 944 HB VAL 123 HB VAL 123 1.385 1.831 -9.644 945 HG11 VAL 123 1HG1 VAL 123 0.123 2.954 -12.159 946 HG12 VAL 123 2HG1 VAL 123 0.566 1.240 -11.971 947 HG13 VAL 123 3HG1 VAL 123 -0.641 1.971 -10.887 948 HG21 VAL 123 1HG2 VAL 123 2.957 1.443 -11.459 949 HG22 VAL 123 2HG2 VAL 123 2.778 3.126 -12.011 950 HG23 VAL 123 3HG2 VAL 123 3.533 2.781 -10.437 951 H SER 124 H SER 124 3.550 4.702 -10.471 952 HA SER 124 HA SER 124 2.663 6.401 -12.617 953 HB2 SER 124 1HB SER 124 2.578 8.064 -10.938 954 HB3 SER 124 2HB SER 124 3.955 7.408 -10.074 955 HG SER 124 HG SER 124 3.878 9.139 -12.313 956 H ARG 125 H ARG 125 3.960 5.780 -14.303 957 HA ARG 125 HA ARG 125 6.705 5.098 -13.605 958 HB2 ARG 125 1HB ARG 125 6.709 3.478 -15.425 959 HB3 ARG 125 2HB ARG 125 5.277 3.179 -14.459 960 HG2 ARG 125 1HG ARG 125 4.644 5.155 -16.493 961 HG3 ARG 125 2HG ARG 125 5.415 3.780 -17.258 962 HD2 ARG 125 1HD ARG 125 2.879 3.813 -15.580 963 HD3 ARG 125 2HD ARG 125 3.080 3.241 -17.224 964 HE ARG 125 HE ARG 125 3.779 1.784 -14.758 965 HH11 ARG 125 2HH2 ARG 125 4.124 1.962 -18.255 966 HH12 ARG 125 1HH2 ARG 125 4.557 0.294 -18.425 967 HH21 ARG 125 2HH1 ARG 125 4.351 -0.417 -14.982 968 HH22 ARG 125 1HH1 ARG 125 4.688 -1.068 -16.551 969 H SER 126 H SER 126 8.344 5.590 -15.356 970 HA SER 126 HA SER 126 7.740 8.145 -16.468 971 HB2 SER 126 1HB SER 126 10.039 8.408 -16.694 972 HB3 SER 126 2HB SER 126 9.982 7.242 -15.386 973 HG SER 126 HG SER 126 11.493 6.728 -17.186 974 H GLY 127 H GLY 127 7.022 8.507 -18.541 975 HA2 GLY 127 1HA GLY 127 6.391 6.404 -20.284 976 HA3 GLY 127 2HA GLY 127 6.414 8.113 -20.668 977 HA PRO 128 HA PRO 128 9.837 6.142 -22.943 978 HB2 PRO 128 1HB PRO 128 9.039 6.771 -25.480 979 HB3 PRO 128 2HB PRO 128 8.687 5.233 -24.719 980 HG2 PRO 128 1HG PRO 128 6.876 7.518 -25.205 981 HG3 PRO 128 2HG PRO 128 6.469 5.852 -24.848 982 HD2 PRO 128 1HD PRO 128 6.361 8.071 -23.034 983 HD3 PRO 128 2HD PRO 128 6.066 6.387 -22.649 984 H SER 129 H SER 129 11.768 7.076 -23.413 985 HA SER 129 HA SER 129 11.576 9.863 -24.165 986 HB2 SER 129 1HB SER 129 12.328 8.949 -21.531 987 HB3 SER 129 2HB SER 129 13.749 9.632 -22.296 988 HG SER 129 HG SER 129 11.322 10.887 -21.527 989 H SER 130 H SER 130 13.193 10.460 -25.635 990 HA SER 130 HA SER 130 14.760 8.314 -26.639 991 HB2 SER 130 1HB SER 130 15.504 10.013 -28.325 992 HB3 SER 130 2HB SER 130 13.761 9.885 -28.206 993 HG SER 130 HG SER 130 14.024 12.054 -28.097 994 H GLY 131 H GLY 131 17.199 8.784 -27.180 995 HA2 GLY 131 1HA GLY 131 18.442 10.042 -24.806 996 HA3 GLY 131 2HA GLY 131 19.036 8.585 -25.579 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -25.193 28.040 -16.583 2 HA2 GLY 1 1HA GLY 1 -23.512 26.818 -14.927 3 HA3 GLY 1 2HA GLY 1 -23.182 28.491 -14.526 4 H SER 2 H SER 2 -24.955 29.876 -13.729 5 HA SER 2 HA SER 2 -26.644 30.286 -12.430 6 HB2 SER 2 1HB SER 2 -27.728 28.211 -14.266 7 HB3 SER 2 2HB SER 2 -28.643 28.416 -12.785 8 HG SER 2 HG SER 2 -28.342 30.160 -14.971 9 H SER 3 H SER 3 -28.089 29.342 -10.552 10 HA SER 3 HA SER 3 -26.348 27.722 -9.004 11 HB2 SER 3 1HB SER 3 -28.158 29.697 -8.415 12 HB3 SER 3 2HB SER 3 -29.109 28.281 -8.014 13 HG SER 3 HG SER 3 -27.469 29.383 -6.381 14 H GLY 4 H GLY 4 -26.374 25.506 -8.945 15 HA2 GLY 4 1HA GLY 4 -28.475 24.062 -10.290 16 HA3 GLY 4 2HA GLY 4 -27.031 23.411 -9.541 17 H SER 5 H SER 5 -28.457 21.703 -8.651 18 HA SER 5 HA SER 5 -29.524 22.598 -6.125 19 HB2 SER 5 1HB SER 5 -31.148 20.777 -7.950 20 HB3 SER 5 2HB SER 5 -31.640 21.418 -6.395 21 HG SER 5 HG SER 5 -32.557 22.923 -7.645 22 H SER 6 H SER 6 -29.230 19.700 -8.317 23 HA SER 6 HA SER 6 -27.308 18.468 -6.799 24 HB2 SER 6 1HB SER 6 -29.606 18.377 -5.336 25 HB3 SER 6 2HB SER 6 -29.825 16.926 -6.293 26 HG SER 6 HG SER 6 -27.408 17.502 -4.806 27 H GLY 7 H GLY 7 -26.688 16.405 -7.761 28 HA2 GLY 7 1HA GLY 7 -28.371 15.280 -9.836 29 HA3 GLY 7 2HA GLY 7 -26.931 16.095 -10.414 30 H HIS 8 H HIS 8 -26.997 13.477 -11.013 31 HA HIS 8 HA HIS 8 -24.795 12.468 -9.525 32 HB2 HIS 8 1HB HIS 8 -25.733 10.554 -8.553 33 HB3 HIS 8 2HB HIS 8 -26.809 11.863 -8.108 34 HD1 HIS 8 1HD HIS 8 -29.252 11.587 -8.683 35 HD2 HIS 8 2HD HIS 8 -26.792 8.900 -10.763 36 HE1 HIS 8 1HE HIS 8 -30.816 9.983 -9.903 37 H SER 9 H SER 9 -23.490 11.460 -10.977 38 HA SER 9 HA SER 9 -24.802 10.550 -13.417 39 HB2 SER 9 1HB SER 9 -22.518 10.901 -14.480 40 HB3 SER 9 2HB SER 9 -23.326 12.365 -13.955 41 HG SER 9 HG SER 9 -21.295 10.945 -12.450 42 H HIS 10 H HIS 10 -23.855 8.585 -14.457 43 HA HIS 10 HA HIS 10 -22.725 6.830 -12.408 44 HB2 HIS 10 1HB HIS 10 -25.005 6.513 -13.893 45 HB3 HIS 10 2HB HIS 10 -23.844 5.627 -14.861 46 HD1 HIS 10 1HD HIS 10 -25.820 5.437 -11.727 47 HD2 HIS 10 2HD HIS 10 -22.603 3.393 -13.479 48 HE1 HIS 10 1HE HIS 10 -25.581 3.244 -10.443 49 H SER 11 H SER 11 -20.512 7.150 -12.619 50 HA SER 11 HA SER 11 -19.478 6.803 -15.321 51 HB2 SER 11 1HB SER 11 -18.411 8.256 -12.881 52 HB3 SER 11 2HB SER 11 -17.329 7.781 -14.175 53 HG SER 11 HG SER 11 -19.575 9.587 -14.297 54 H ASP 12 H ASP 12 -19.854 4.413 -14.975 55 HA ASP 12 HA ASP 12 -17.699 3.326 -13.337 56 HB2 ASP 12 1HB ASP 12 -20.572 2.634 -13.549 57 HB3 ASP 12 2HB ASP 12 -19.525 1.241 -13.738 58 H LYS 13 H LYS 13 -16.377 3.542 -15.377 59 HA LYS 13 HA LYS 13 -17.226 1.753 -17.525 60 HB2 LYS 13 1HB LYS 13 -15.436 4.145 -17.346 61 HB3 LYS 13 2HB LYS 13 -15.083 2.938 -18.566 62 HG2 LYS 13 1HG LYS 13 -17.964 3.655 -18.378 63 HG3 LYS 13 2HG LYS 13 -16.929 4.989 -18.848 64 HD2 LYS 13 1HD LYS 13 -16.498 4.089 -20.906 65 HD3 LYS 13 2HD LYS 13 -16.236 2.485 -20.253 66 HE2 LYS 13 1HE LYS 13 -18.188 2.273 -21.615 67 HE3 LYS 13 2HE LYS 13 -18.796 2.313 -19.972 68 HZ1 LYS 13 1HZ LYS 13 -18.823 4.870 -20.512 69 HZ2 LYS 13 2HZ LYS 13 -19.005 4.315 -22.037 70 HZ3 LYS 13 3HZ LYS 13 -20.079 3.894 -20.881 71 H HIS 14 H HIS 14 -13.826 2.468 -17.159 72 HA HIS 14 HA HIS 14 -13.410 -0.341 -16.518 73 HB2 HIS 14 1HB HIS 14 -11.326 1.639 -17.446 74 HB3 HIS 14 2HB HIS 14 -11.250 -0.112 -17.485 75 HD1 HIS 14 1HD HIS 14 -12.302 -1.320 -19.494 76 HD2 HIS 14 2HD HIS 14 -13.008 2.815 -19.470 77 HE1 HIS 14 1HE HIS 14 -13.285 -0.749 -21.779 78 HA PRO 15 HA PRO 15 -12.057 0.708 -12.541 79 HB2 PRO 15 1HB PRO 15 -10.744 -1.589 -11.856 80 HB3 PRO 15 2HB PRO 15 -12.485 -1.417 -11.764 81 HG2 PRO 15 1HG PRO 15 -10.870 -2.881 -13.761 82 HG3 PRO 15 2HG PRO 15 -12.577 -3.040 -13.400 83 HD2 PRO 15 1HD PRO 15 -11.417 -1.689 -15.649 84 HD3 PRO 15 2HD PRO 15 -13.117 -1.750 -15.225 85 H VAL 16 H VAL 16 -9.768 -0.315 -14.925 86 HA VAL 16 HA VAL 16 -7.697 1.095 -13.396 87 HB VAL 16 HB VAL 16 -6.117 -0.276 -14.369 88 HG11 VAL 16 1HG1 VAL 16 -8.628 -1.945 -14.035 89 HG12 VAL 16 2HG1 VAL 16 -6.992 -2.626 -14.203 90 HG13 VAL 16 3HG1 VAL 16 -7.387 -1.590 -12.810 91 HG21 VAL 16 1HG2 VAL 16 -8.137 -1.069 -16.495 92 HG22 VAL 16 2HG2 VAL 16 -6.781 0.065 -16.708 93 HG23 VAL 16 3HG2 VAL 16 -6.460 -1.654 -16.374 94 H THR 17 H THR 17 -6.459 2.734 -14.412 95 HA THR 17 HA THR 17 -7.151 3.452 -17.138 96 HB THR 17 HB THR 17 -7.465 5.903 -15.962 97 HG1 THR 17 1HG THR 17 -8.909 5.225 -14.050 98 HG21 THR 17 1HG2 THR 17 -9.757 5.717 -16.439 99 HG22 THR 17 2HG2 THR 17 -9.137 4.350 -17.396 100 HG23 THR 17 3HG2 THR 17 -9.856 4.062 -15.793 101 H TRP 18 H TRP 18 -5.333 3.911 -18.196 102 HA TRP 18 HA TRP 18 -3.045 4.752 -16.557 103 HB2 TRP 18 1HB TRP 18 -3.194 3.266 -19.182 104 HB3 TRP 18 2HB TRP 18 -1.710 3.935 -18.533 105 HD1 TRP 18 HD TRP 18 -4.134 1.021 -17.999 106 HE1 TRP 18 1HE TRP 18 -3.163 -0.756 -16.309 107 HE3 TRP 18 3HE TRP 18 -0.165 3.830 -16.511 108 HZ2 TRP 18 2HZ TRP 18 -0.894 -0.788 -14.577 109 HZ3 TRP 18 3HZ TRP 18 1.380 2.851 -14.817 110 HH2 TRP 18 HH TRP 18 1.066 0.626 -13.857 111 H GLN 19 H GLN 19 -2.854 6.957 -16.610 112 HA GLN 19 HA GLN 19 -3.125 8.181 -19.236 113 HB2 GLN 19 1HB GLN 19 -3.994 9.691 -16.767 114 HB3 GLN 19 2HB GLN 19 -4.450 9.959 -18.438 115 HG2 GLN 19 1HG GLN 19 -6.367 8.847 -17.875 116 HG3 GLN 19 2HG GLN 19 -5.398 7.401 -18.074 117 HE21 GLN 19 1HE2 GLN 19 -7.571 8.722 -16.152 118 HE22 GLN 19 2HE2 GLN 19 -7.121 8.121 -14.592 119 HA PRO 20 HA PRO 20 0.684 9.967 -18.166 120 HB2 PRO 20 1HB PRO 20 0.808 12.047 -19.934 121 HB3 PRO 20 2HB PRO 20 1.189 10.393 -20.371 122 HG2 PRO 20 1HG PRO 20 -1.228 11.970 -21.013 123 HG3 PRO 20 2HG PRO 20 -0.639 10.505 -21.773 124 HD2 PRO 20 1HD PRO 20 -2.809 10.718 -19.910 125 HD3 PRO 20 2HD PRO 20 -2.145 9.242 -20.581 126 H SER 21 H SER 21 1.843 11.752 -17.185 127 HA SER 21 HA SER 21 0.105 13.010 -15.367 128 HB2 SER 21 1HB SER 21 3.056 12.960 -15.897 129 HB3 SER 21 2HB SER 21 2.449 14.333 -14.993 130 HG SER 21 HG SER 21 3.081 12.074 -13.924 131 H LYS 22 H LYS 22 0.857 15.607 -15.004 132 HA LYS 22 HA LYS 22 -0.549 16.989 -16.923 133 HB2 LYS 22 1HB LYS 22 0.534 17.538 -14.461 134 HB3 LYS 22 2HB LYS 22 1.526 18.534 -15.506 135 HG2 LYS 22 1HG LYS 22 -0.301 19.951 -15.025 136 HG3 LYS 22 2HG LYS 22 -0.723 19.302 -16.597 137 HD2 LYS 22 1HD LYS 22 -2.138 17.553 -15.495 138 HD3 LYS 22 2HD LYS 22 -1.719 18.207 -13.924 139 HE2 LYS 22 1HE LYS 22 -3.093 19.828 -16.120 140 HE3 LYS 22 2HE LYS 22 -3.956 19.008 -14.834 141 HZ1 LYS 22 1HZ LYS 22 -2.905 20.356 -13.243 142 HZ2 LYS 22 2HZ LYS 22 -1.835 20.967 -14.314 143 HZ3 LYS 22 3HZ LYS 22 -3.414 21.371 -14.416 144 H ASP 23 H ASP 23 3.031 16.564 -16.568 145 HA ASP 23 HA ASP 23 3.594 18.098 -18.834 146 HB2 ASP 23 1HB ASP 23 5.303 15.845 -17.696 147 HB3 ASP 23 2HB ASP 23 5.863 17.239 -18.597 148 H GLY 24 H GLY 24 3.692 14.508 -18.173 149 HA2 GLY 24 1HA GLY 24 2.467 13.149 -19.851 150 HA3 GLY 24 2HA GLY 24 3.340 14.048 -21.076 151 H ASP 25 H ASP 25 5.864 14.202 -19.442 152 HA ASP 25 HA ASP 25 7.150 12.053 -20.478 153 HB2 ASP 25 1HB ASP 25 7.808 13.628 -17.944 154 HB3 ASP 25 2HB ASP 25 8.942 12.570 -18.760 155 H ARG 26 H ARG 26 5.192 12.377 -17.547 156 HA ARG 26 HA ARG 26 6.122 9.776 -16.652 157 HB2 ARG 26 1HB ARG 26 4.915 12.171 -15.279 158 HB3 ARG 26 2HB ARG 26 4.533 10.600 -14.604 159 HG2 ARG 26 1HG ARG 26 7.418 11.166 -15.275 160 HG3 ARG 26 2HG ARG 26 6.739 11.967 -13.872 161 HD2 ARG 26 1HD ARG 26 6.405 9.961 -12.703 162 HD3 ARG 26 2HD ARG 26 6.224 9.010 -14.164 163 HE ARG 26 HE ARG 26 8.547 8.699 -14.230 164 HH11 ARG 26 2HH2 ARG 26 7.792 11.347 -12.039 165 HH12 ARG 26 1HH2 ARG 26 9.414 11.491 -11.450 166 HH21 ARG 26 2HH1 ARG 26 10.687 8.888 -13.453 167 HH22 ARG 26 1HH1 ARG 26 11.072 10.083 -12.259 168 H LEU 27 H LEU 27 4.516 8.116 -16.097 169 HA LEU 27 HA LEU 27 1.914 8.619 -17.369 170 HB2 LEU 27 1HB LEU 27 3.832 6.837 -18.177 171 HB3 LEU 27 2HB LEU 27 2.822 5.834 -17.154 172 HG LEU 27 HG LEU 27 1.700 5.494 -19.078 173 HD11 LEU 27 1HD1 LEU 27 0.382 8.145 -18.983 174 HD12 LEU 27 2HD1 LEU 27 -0.313 6.507 -18.959 175 HD13 LEU 27 3HD1 LEU 27 0.372 7.205 -17.472 176 HD21 LEU 27 1HD2 LEU 27 1.579 7.559 -20.803 177 HD22 LEU 27 2HD2 LEU 27 3.104 7.948 -19.971 178 HD23 LEU 27 3HD2 LEU 27 2.905 6.372 -20.774 179 H ILE 28 H ILE 28 0.297 8.760 -15.919 180 HA ILE 28 HA ILE 28 0.715 7.501 -13.321 181 HB ILE 28 HB ILE 28 -1.437 9.441 -14.157 182 HG12 ILE 28 1HG1 ILE 28 0.852 10.364 -14.543 183 HG13 ILE 28 2HG1 ILE 28 -0.097 11.244 -13.361 184 HG21 ILE 28 1HG2 ILE 28 -0.903 9.778 -11.472 185 HG22 ILE 28 2HG2 ILE 28 -2.262 8.862 -12.166 186 HG23 ILE 28 3HG2 ILE 28 -0.769 8.017 -11.690 187 HD11 ILE 28 1HD1 ILE 28 1.075 10.107 -11.509 188 HD12 ILE 28 2HD1 ILE 28 1.989 9.121 -12.675 189 HD13 ILE 28 3HD1 ILE 28 2.252 10.880 -12.597 190 H GLY 29 H GLY 29 -0.126 5.530 -12.941 191 HA2 GLY 29 1HA GLY 29 -2.420 4.691 -14.608 192 HA3 GLY 29 2HA GLY 29 -1.190 3.624 -13.959 193 H ARG 30 H ARG 30 -4.346 4.454 -13.572 194 HA ARG 30 HA ARG 30 -4.196 4.154 -10.680 195 HB2 ARG 30 1HB ARG 30 -5.669 5.993 -12.326 196 HB3 ARG 30 2HB ARG 30 -6.849 4.915 -11.607 197 HG2 ARG 30 1HG ARG 30 -6.478 5.704 -9.476 198 HG3 ARG 30 2HG ARG 30 -4.749 5.851 -9.716 199 HD2 ARG 30 1HD ARG 30 -5.159 7.915 -11.125 200 HD3 ARG 30 2HD ARG 30 -6.870 7.787 -10.766 201 HE ARG 30 HE ARG 30 -5.653 7.742 -8.259 202 HH11 ARG 30 2HH2 ARG 30 -5.612 9.946 -11.002 203 HH12 ARG 30 1HH2 ARG 30 -5.332 11.353 -10.031 204 HH21 ARG 30 2HH1 ARG 30 -5.284 9.598 -6.977 205 HH22 ARG 30 1HH1 ARG 30 -5.144 11.153 -7.726 206 H ILE 31 H ILE 31 -4.539 2.017 -10.135 207 HA ILE 31 HA ILE 31 -6.378 0.483 -11.816 208 HB ILE 31 HB ILE 31 -4.165 -0.306 -9.930 209 HG12 ILE 31 1HG1 ILE 31 -3.686 -1.569 -12.279 210 HG13 ILE 31 2HG1 ILE 31 -4.510 -0.141 -12.875 211 HG21 ILE 31 1HG2 ILE 31 -5.953 -1.863 -9.528 212 HG22 ILE 31 2HG2 ILE 31 -6.221 -2.078 -11.275 213 HG23 ILE 31 3HG2 ILE 31 -4.712 -2.656 -10.528 214 HD11 ILE 31 1HD1 ILE 31 -1.831 -0.234 -12.290 215 HD12 ILE 31 2HD1 ILE 31 -2.795 1.263 -12.284 216 HD13 ILE 31 3HD1 ILE 31 -2.484 0.399 -10.759 217 H LEU 32 H LEU 32 -8.035 -0.840 -10.817 218 HA LEU 32 HA LEU 32 -8.613 -0.184 -8.039 219 HB2 LEU 32 1HB LEU 32 -9.777 1.521 -9.280 220 HB3 LEU 32 2HB LEU 32 -10.488 0.328 -10.349 221 HG LEU 32 HG LEU 32 -11.968 1.315 -8.520 222 HD11 LEU 32 1HD1 LEU 32 -12.338 -0.822 -9.894 223 HD12 LEU 32 2HD1 LEU 32 -11.859 -1.696 -8.419 224 HD13 LEU 32 3HD1 LEU 32 -13.275 -0.619 -8.394 225 HD21 LEU 32 1HD2 LEU 32 -11.051 -0.704 -6.587 226 HD22 LEU 32 2HD2 LEU 32 -9.918 0.645 -6.841 227 HD23 LEU 32 3HD2 LEU 32 -11.593 0.973 -6.338 228 H LEU 33 H LEU 33 -9.575 -1.873 -6.919 229 HA LEU 33 HA LEU 33 -10.387 -4.176 -8.535 230 HB2 LEU 33 1HB LEU 33 -8.692 -4.420 -6.055 231 HB3 LEU 33 2HB LEU 33 -9.172 -5.690 -7.162 232 HG LEU 33 HG LEU 33 -7.535 -3.418 -8.227 233 HD11 LEU 33 1HD1 LEU 33 -6.582 -4.326 -5.981 234 HD12 LEU 33 2HD1 LEU 33 -6.143 -5.754 -6.949 235 HD13 LEU 33 3HD1 LEU 33 -5.508 -4.150 -7.389 236 HD21 LEU 33 1HD2 LEU 33 -7.158 -4.776 -9.972 237 HD22 LEU 33 2HD2 LEU 33 -6.922 -6.209 -8.943 238 HD23 LEU 33 3HD2 LEU 33 -8.568 -5.674 -9.360 239 H ASN 34 H ASN 34 -12.074 -5.433 -7.629 240 HA ASN 34 HA ASN 34 -13.308 -4.121 -5.336 241 HB2 ASN 34 1HB ASN 34 -14.576 -3.997 -7.545 242 HB3 ASN 34 2HB ASN 34 -14.672 -5.747 -7.547 243 HD21 ASN 34 1HD2 ASN 34 -15.449 -2.854 -5.664 244 HD22 ASN 34 2HD2 ASN 34 -16.867 -3.465 -4.879 245 H LYS 35 H LYS 35 -14.830 -5.774 -4.098 246 HA LYS 35 HA LYS 35 -13.738 -8.484 -4.241 247 HB2 LYS 35 1HB LYS 35 -14.153 -7.093 -1.594 248 HB3 LYS 35 2HB LYS 35 -13.323 -8.602 -1.917 249 HG2 LYS 35 1HG LYS 35 -11.498 -7.455 -3.050 250 HG3 LYS 35 2HG LYS 35 -12.375 -5.937 -3.057 251 HD2 LYS 35 1HD LYS 35 -11.194 -5.482 -1.153 252 HD3 LYS 35 2HD LYS 35 -12.382 -6.499 -0.361 253 HE2 LYS 35 1HE LYS 35 -9.944 -7.781 -1.626 254 HE3 LYS 35 2HE LYS 35 -9.787 -6.998 -0.066 255 HZ1 LYS 35 1HZ LYS 35 -11.168 -8.502 0.902 256 HZ2 LYS 35 2HZ LYS 35 -11.978 -8.865 -0.469 257 HZ3 LYS 35 3HZ LYS 35 -10.476 -9.459 -0.226 258 H ARG 36 H ARG 36 -16.254 -6.240 -2.934 259 HA ARG 36 HA ARG 36 -18.056 -7.819 -1.938 260 HB2 ARG 36 1HB ARG 36 -18.442 -5.596 -3.984 261 HB3 ARG 36 2HB ARG 36 -19.826 -6.381 -3.250 262 HG2 ARG 36 1HG ARG 36 -19.206 -5.664 -1.040 263 HG3 ARG 36 2HG ARG 36 -17.580 -5.246 -1.541 264 HD2 ARG 36 1HD ARG 36 -18.228 -3.216 -2.469 265 HD3 ARG 36 2HD ARG 36 -19.793 -3.820 -2.978 266 HE ARG 36 HE ARG 36 -19.618 -3.733 -0.086 267 HH11 ARG 36 2HH2 ARG 36 -20.100 -1.702 -2.918 268 HH12 ARG 36 1HH2 ARG 36 -20.991 -0.492 -2.057 269 HH21 ARG 36 2HH1 ARG 36 -20.793 -2.137 1.051 270 HH22 ARG 36 1HH1 ARG 36 -21.388 -0.741 0.216 271 H LEU 37 H LEU 37 -18.872 -9.813 -2.496 272 HA LEU 37 HA LEU 37 -18.534 -10.975 -4.973 273 HB2 LEU 37 1HB LEU 37 -20.638 -11.610 -2.901 274 HB3 LEU 37 2HB LEU 37 -20.087 -12.672 -4.181 275 HG LEU 37 HG LEU 37 -17.975 -11.659 -2.359 276 HD11 LEU 37 1HD1 LEU 37 -20.228 -12.322 -1.059 277 HD12 LEU 37 2HD1 LEU 37 -19.516 -13.942 -1.250 278 HD13 LEU 37 3HD1 LEU 37 -18.598 -12.658 -0.427 279 HD21 LEU 37 1HD2 LEU 37 -16.886 -13.315 -3.350 280 HD22 LEU 37 2HD2 LEU 37 -18.012 -14.490 -2.629 281 HD23 LEU 37 3HD2 LEU 37 -18.363 -13.785 -4.225 282 H LYS 38 H LYS 38 -20.933 -12.013 -5.890 283 HA LYS 38 HA LYS 38 -21.825 -9.965 -7.542 284 HB2 LYS 38 1HB LYS 38 -22.066 -12.726 -7.409 285 HB3 LYS 38 2HB LYS 38 -23.714 -12.177 -7.182 286 HG2 LYS 38 1HG LYS 38 -23.721 -12.093 -9.479 287 HG3 LYS 38 2HG LYS 38 -22.996 -10.519 -9.221 288 HD2 LYS 38 1HD LYS 38 -20.761 -11.377 -9.574 289 HD3 LYS 38 2HD LYS 38 -21.303 -13.040 -9.467 290 HE2 LYS 38 1HE LYS 38 -21.715 -13.083 -11.697 291 HE3 LYS 38 2HE LYS 38 -22.841 -11.749 -11.543 292 HZ1 LYS 38 1HZ LYS 38 -20.557 -11.601 -12.858 293 HZ2 LYS 38 2HZ LYS 38 -21.301 -10.300 -12.208 294 HZ3 LYS 38 3HZ LYS 38 -20.069 -11.019 -11.412 295 H ASP 39 H ASP 39 -23.237 -11.384 -4.531 296 HA ASP 39 HA ASP 39 -25.595 -10.057 -4.543 297 HB2 ASP 39 1HB ASP 39 -24.058 -11.569 -2.708 298 HB3 ASP 39 2HB ASP 39 -24.370 -10.062 -1.870 299 H GLY 40 H GLY 40 -22.330 -9.001 -3.388 300 HA2 GLY 40 1HA GLY 40 -21.725 -6.693 -3.767 301 HA3 GLY 40 2HA GLY 40 -23.341 -6.224 -3.279 302 H SER 41 H SER 41 -20.894 -8.521 -1.872 303 HA SER 41 HA SER 41 -20.524 -6.787 0.351 304 HB2 SER 41 1HB SER 41 -22.149 -9.333 0.605 305 HB3 SER 41 2HB SER 41 -21.198 -8.759 1.960 306 HG SER 41 HG SER 41 -22.352 -6.662 1.709 307 H VAL 42 H VAL 42 -18.579 -7.309 1.479 308 HA VAL 42 HA VAL 42 -16.898 -9.179 0.075 309 HB VAL 42 HB VAL 42 -16.395 -7.321 2.408 310 HG11 VAL 42 1HG1 VAL 42 -14.871 -9.487 1.776 311 HG12 VAL 42 2HG1 VAL 42 -14.131 -8.245 0.738 312 HG13 VAL 42 3HG1 VAL 42 -14.236 -7.988 2.496 313 HG21 VAL 42 1HG2 VAL 42 -16.976 -6.071 0.421 314 HG22 VAL 42 2HG2 VAL 42 -15.223 -5.935 0.697 315 HG23 VAL 42 3HG2 VAL 42 -15.843 -7.028 -0.563 316 HA PRO 43 HA PRO 43 -17.652 -12.383 2.906 317 HB2 PRO 43 1HB PRO 43 -15.795 -14.172 2.000 318 HB3 PRO 43 2HB PRO 43 -17.377 -13.981 1.271 319 HG2 PRO 43 1HG PRO 43 -14.753 -13.053 0.274 320 HG3 PRO 43 2HG PRO 43 -16.254 -13.254 -0.608 321 HD2 PRO 43 1HD PRO 43 -15.113 -10.783 0.297 322 HD3 PRO 43 2HD PRO 43 -16.668 -10.996 -0.482 323 H ARG 44 H ARG 44 -16.166 -14.096 4.234 324 HA ARG 44 HA ARG 44 -15.213 -12.721 6.284 325 HB2 ARG 44 1HB ARG 44 -14.585 -15.414 5.124 326 HB3 ARG 44 2HB ARG 44 -13.450 -14.831 6.325 327 HG2 ARG 44 1HG ARG 44 -14.997 -15.877 7.717 328 HG3 ARG 44 2HG ARG 44 -15.656 -14.253 7.706 329 HD2 ARG 44 1HD ARG 44 -17.573 -14.960 6.706 330 HD3 ARG 44 2HD ARG 44 -16.680 -15.731 5.410 331 HE ARG 44 HE ARG 44 -16.346 -17.448 7.585 332 HH11 ARG 44 2HH2 ARG 44 -19.106 -16.112 5.859 333 HH12 ARG 44 1HH2 ARG 44 -20.130 -17.470 6.187 334 HH21 ARG 44 2HH1 ARG 44 -17.697 -19.240 8.018 335 HH22 ARG 44 1HH1 ARG 44 -19.323 -19.261 7.423 336 H ASP 45 H ASP 45 -13.522 -13.417 3.204 337 HA ASP 45 HA ASP 45 -11.889 -11.253 3.353 338 HB2 ASP 45 1HB ASP 45 -9.647 -12.576 3.701 339 HB3 ASP 45 2HB ASP 45 -10.547 -12.046 5.108 340 H SER 46 H SER 46 -12.387 -11.266 1.084 341 HA SER 46 HA SER 46 -11.854 -13.632 -0.421 342 HB2 SER 46 1HB SER 46 -13.686 -11.700 -0.744 343 HB3 SER 46 2HB SER 46 -12.422 -10.969 -1.712 344 HG SER 46 HG SER 46 -14.035 -13.179 -2.262 345 H GLY 47 H GLY 47 -9.476 -13.075 0.739 346 HA2 GLY 47 1HA GLY 47 -7.300 -12.730 0.299 347 HA3 GLY 47 2HA GLY 47 -7.710 -12.704 -1.405 348 H ALA 48 H ALA 48 -7.744 -10.659 1.583 349 HA ALA 48 HA ALA 48 -8.309 -8.234 0.475 350 HB1 ALA 48 1HB ALA 48 -6.756 -7.387 2.370 351 HB2 ALA 48 2HB ALA 48 -8.152 -8.393 2.826 352 HB3 ALA 48 3HB ALA 48 -6.523 -9.108 2.759 353 H MET 49 H MET 49 -5.177 -10.017 0.539 354 HA MET 49 HA MET 49 -3.627 -7.970 -0.459 355 HB2 MET 49 1HB MET 49 -3.466 -10.867 -0.011 356 HB3 MET 49 2HB MET 49 -2.654 -10.458 -1.509 357 HG2 MET 49 1HG MET 49 -1.897 -8.467 0.426 358 HG3 MET 49 2HG MET 49 -1.742 -10.027 1.208 359 HE1 MET 49 1HE MET 49 0.130 -7.845 0.562 360 HE2 MET 49 2HE MET 49 1.641 -8.663 0.098 361 HE3 MET 49 3HE MET 49 0.727 -7.728 -1.111 362 H LEU 50 H LEU 50 -6.194 -9.686 -1.966 363 HA LEU 50 HA LEU 50 -7.032 -9.614 -4.009 364 HB2 LEU 50 1HB LEU 50 -4.873 -7.638 -4.741 365 HB3 LEU 50 2HB LEU 50 -6.399 -7.903 -5.561 366 HG LEU 50 HG LEU 50 -7.063 -7.265 -2.888 367 HD11 LEU 50 1HD1 LEU 50 -5.948 -5.241 -2.380 368 HD12 LEU 50 2HD1 LEU 50 -4.677 -6.426 -2.768 369 HD13 LEU 50 3HD1 LEU 50 -5.142 -5.195 -3.967 370 HD21 LEU 50 1HD2 LEU 50 -7.513 -6.261 -5.596 371 HD22 LEU 50 2HD2 LEU 50 -8.625 -6.382 -4.212 372 HD23 LEU 50 3HD2 LEU 50 -7.540 -4.979 -4.361 373 H GLY 51 H GLY 51 -3.425 -9.338 -4.408 374 HA2 GLY 51 1HA GLY 51 -2.694 -11.835 -4.927 375 HA3 GLY 51 2HA GLY 51 -3.514 -11.440 -6.425 376 H LEU 52 H LEU 52 -1.472 -9.408 -4.209 377 HA LEU 52 HA LEU 52 0.669 -9.371 -6.112 378 HB2 LEU 52 1HB LEU 52 0.471 -7.319 -7.010 379 HB3 LEU 52 2HB LEU 52 -1.231 -7.699 -6.835 380 HG LEU 52 HG LEU 52 -1.078 -6.464 -4.566 381 HD11 LEU 52 1HD1 LEU 52 1.604 -5.949 -5.710 382 HD12 LEU 52 2HD1 LEU 52 0.761 -4.539 -5.025 383 HD13 LEU 52 3HD1 LEU 52 1.054 -5.977 -4.017 384 HD21 LEU 52 1HD2 LEU 52 -1.104 -4.190 -5.924 385 HD22 LEU 52 2HD2 LEU 52 -1.150 -5.300 -7.315 386 HD23 LEU 52 3HD2 LEU 52 -2.416 -5.385 -6.067 387 H LYS 53 H LYS 53 2.525 -8.023 -5.255 388 HA LYS 53 HA LYS 53 2.310 -7.789 -2.336 389 HB2 LYS 53 1HB LYS 53 3.732 -9.748 -3.626 390 HB3 LYS 53 2HB LYS 53 4.957 -8.511 -3.423 391 HG2 LYS 53 1HG LYS 53 3.291 -8.864 -1.005 392 HG3 LYS 53 2HG LYS 53 4.125 -10.335 -1.466 393 HD2 LYS 53 1HD LYS 53 5.534 -7.639 -1.226 394 HD3 LYS 53 2HD LYS 53 5.413 -8.770 0.107 395 HE2 LYS 53 1HE LYS 53 6.700 -9.364 -2.601 396 HE3 LYS 53 2HE LYS 53 7.570 -9.024 -1.119 397 HZ1 LYS 53 1HZ LYS 53 7.441 -11.339 -1.354 398 HZ2 LYS 53 2HZ LYS 53 6.388 -10.968 -0.163 399 HZ3 LYS 53 3HZ LYS 53 5.837 -11.328 -1.657 400 H VAL 54 H VAL 54 3.492 -6.065 -1.369 401 HA VAL 54 HA VAL 54 4.741 -4.213 -3.253 402 HB VAL 54 HB VAL 54 2.660 -3.441 -1.198 403 HG11 VAL 54 1HG1 VAL 54 3.203 -1.285 -1.526 404 HG12 VAL 54 2HG1 VAL 54 4.734 -1.915 -2.180 405 HG13 VAL 54 3HG1 VAL 54 3.399 -1.503 -3.281 406 HG21 VAL 54 1HG2 VAL 54 1.347 -4.364 -2.860 407 HG22 VAL 54 2HG2 VAL 54 1.480 -2.682 -3.426 408 HG23 VAL 54 3HG2 VAL 54 2.497 -3.949 -4.153 409 H VAL 55 H VAL 55 6.453 -2.999 -2.357 410 HA VAL 55 HA VAL 55 7.093 -3.703 0.423 411 HB VAL 55 HB VAL 55 8.715 -3.854 -2.077 412 HG11 VAL 55 1HG1 VAL 55 9.763 -2.995 0.624 413 HG12 VAL 55 2HG1 VAL 55 10.786 -3.863 -0.546 414 HG13 VAL 55 3HG1 VAL 55 10.080 -2.287 -0.978 415 HG21 VAL 55 1HG2 VAL 55 7.727 -5.854 -0.899 416 HG22 VAL 55 2HG2 VAL 55 9.490 -5.914 -1.138 417 HG23 VAL 55 3HG2 VAL 55 8.822 -5.510 0.462 418 H GLY 56 H GLY 56 6.894 -1.904 1.649 419 HA2 GLY 56 1HA GLY 56 7.361 0.703 0.374 420 HA3 GLY 56 2HA GLY 56 6.477 0.398 1.856 421 H GLY 57 H GLY 57 8.093 2.322 2.373 422 HA2 GLY 57 1HA GLY 57 9.790 3.002 3.682 423 HA3 GLY 57 2HA GLY 57 9.992 1.342 4.205 424 H LYS 58 H LYS 58 10.118 1.820 0.746 425 HA LYS 58 HA LYS 58 12.850 0.995 0.712 426 HB2 LYS 58 1HB LYS 58 11.300 0.132 -0.930 427 HB3 LYS 58 2HB LYS 58 10.892 1.745 -1.476 428 HG2 LYS 58 1HG LYS 58 12.679 1.797 -2.874 429 HG3 LYS 58 2HG LYS 58 13.780 1.418 -1.564 430 HD2 LYS 58 1HD LYS 58 14.118 -0.540 -2.697 431 HD3 LYS 58 2HD LYS 58 12.616 -1.044 -1.947 432 HE2 LYS 58 1HE LYS 58 11.616 -1.189 -3.977 433 HE3 LYS 58 2HE LYS 58 11.941 0.505 -4.285 434 HZ1 LYS 58 1HZ LYS 58 13.925 -1.619 -4.701 435 HZ2 LYS 58 2HZ LYS 58 12.960 -1.035 -5.882 436 HZ3 LYS 58 3HZ LYS 58 14.050 -0.057 -5.160 437 H MET 59 H MET 59 14.584 2.293 0.930 438 HA MET 59 HA MET 59 14.180 5.113 0.809 439 HB2 MET 59 1HB MET 59 15.817 3.456 2.272 440 HB3 MET 59 2HB MET 59 16.939 3.912 1.005 441 HG2 MET 59 1HG MET 59 17.315 5.643 2.529 442 HG3 MET 59 2HG MET 59 16.082 6.382 1.527 443 HE1 MET 59 1HE MET 59 14.700 7.923 4.375 444 HE2 MET 59 2HE MET 59 15.248 7.891 2.681 445 HE3 MET 59 3HE MET 59 13.594 7.377 3.091 446 H THR 60 H THR 60 14.217 6.222 -1.096 447 HA THR 60 HA THR 60 15.497 5.062 -3.401 448 HB THR 60 HB THR 60 14.474 7.049 -4.515 449 HG1 THR 60 1HG THR 60 13.294 8.477 -2.916 450 HG21 THR 60 1HG2 THR 60 12.827 5.294 -4.139 451 HG22 THR 60 2HG2 THR 60 12.723 5.689 -2.407 452 HG23 THR 60 3HG2 THR 60 12.073 6.820 -3.618 453 H GLU 61 H GLU 61 16.370 7.500 -4.662 454 HA GLU 61 HA GLU 61 18.901 7.677 -3.280 455 HB2 GLU 61 1HB GLU 61 19.550 8.883 -5.493 456 HB3 GLU 61 2HB GLU 61 19.248 7.158 -5.551 457 HG2 GLU 61 1HG GLU 61 17.257 7.394 -6.725 458 HG3 GLU 61 2HG GLU 61 16.861 8.925 -5.969 459 H SER 62 H SER 62 16.003 9.254 -3.129 460 HA SER 62 HA SER 62 17.292 11.854 -2.854 461 HB2 SER 62 1HB SER 62 14.619 10.989 -3.850 462 HB3 SER 62 2HB SER 62 14.599 12.410 -2.825 463 HG SER 62 HG SER 62 16.273 12.073 -5.169 464 H GLY 63 H GLY 63 16.801 9.307 -1.003 465 HA2 GLY 63 1HA GLY 63 16.607 9.032 1.225 466 HA3 GLY 63 2HA GLY 63 16.518 10.772 1.413 467 H ARG 64 H ARG 64 14.226 9.511 -0.875 468 HA ARG 64 HA ARG 64 12.156 9.999 1.077 469 HB2 ARG 64 1HB ARG 64 12.406 10.191 -1.884 470 HB3 ARG 64 2HB ARG 64 10.869 9.539 -1.350 471 HG2 ARG 64 1HG ARG 64 10.932 11.584 0.362 472 HG3 ARG 64 2HG ARG 64 12.073 12.257 -0.785 473 HD2 ARG 64 1HD ARG 64 9.978 11.288 -2.409 474 HD3 ARG 64 2HD ARG 64 9.152 11.965 -1.020 475 HE ARG 64 HE ARG 64 11.234 13.755 -1.952 476 HH11 ARG 64 2HH2 ARG 64 7.962 12.664 -2.652 477 HH12 ARG 64 1HH2 ARG 64 7.512 14.125 -3.466 478 HH21 ARG 64 2HH1 ARG 64 10.641 15.683 -3.026 479 HH22 ARG 64 1HH1 ARG 64 9.046 15.854 -3.680 480 H LEU 65 H LEU 65 10.173 8.499 1.003 481 HA LEU 65 HA LEU 65 11.068 5.747 0.489 482 HB2 LEU 65 1HB LEU 65 9.164 6.750 2.610 483 HB3 LEU 65 2HB LEU 65 9.591 5.075 2.322 484 HG LEU 65 HG LEU 65 11.604 7.198 3.102 485 HD11 LEU 65 1HD1 LEU 65 9.601 6.498 4.741 486 HD12 LEU 65 2HD1 LEU 65 10.730 5.165 5.085 487 HD13 LEU 65 3HD1 LEU 65 11.250 6.852 5.312 488 HD21 LEU 65 1HD2 LEU 65 11.743 4.305 2.490 489 HD22 LEU 65 2HD2 LEU 65 12.973 5.581 2.332 490 HD23 LEU 65 3HD2 LEU 65 12.651 4.847 3.921 491 H CYS 66 H CYS 66 9.761 4.419 -0.741 492 HA CYS 66 HA CYS 66 7.078 5.282 -1.320 493 HB2 CYS 66 1HB CYS 66 8.933 6.302 -3.009 494 HB3 CYS 66 2HB CYS 66 8.654 4.758 -3.790 495 HG CYS 66 HG CYS 66 5.981 4.960 -3.693 496 H ALA 67 H ALA 67 5.808 3.485 -2.151 497 HA ALA 67 HA ALA 67 7.064 0.925 -1.601 498 HB1 ALA 67 1HB ALA 67 5.016 0.403 -0.837 499 HB2 ALA 67 2HB ALA 67 4.521 2.080 -1.169 500 HB3 ALA 67 3HB ALA 67 4.275 0.819 -2.401 501 H PHE 68 H PHE 68 7.015 -0.850 -3.116 502 HA PHE 68 HA PHE 68 6.345 -0.133 -5.854 503 HB2 PHE 68 1HB PHE 68 9.012 -1.323 -4.881 504 HB3 PHE 68 2HB PHE 68 8.607 -1.011 -6.558 505 HD1 PHE 68 1HD PHE 68 8.432 1.326 -7.374 506 HD2 PHE 68 2HD PHE 68 9.771 0.433 -3.447 507 HE1 PHE 68 1HE PHE 68 9.400 3.633 -7.179 508 HE2 PHE 68 2HE PHE 68 10.739 2.741 -3.252 509 HZ PHE 68 HZ PHE 68 10.542 4.313 -5.121 510 H ILE 69 H ILE 69 5.835 -1.942 -7.186 511 HA ILE 69 HA ILE 69 4.943 -4.209 -5.720 512 HB ILE 69 HB ILE 69 5.008 -3.558 -8.665 513 HG12 ILE 69 1HG1 ILE 69 2.685 -3.554 -6.720 514 HG13 ILE 69 2HG1 ILE 69 3.595 -2.122 -7.158 515 HG21 ILE 69 1HG2 ILE 69 4.897 -6.090 -7.728 516 HG22 ILE 69 2HG2 ILE 69 3.173 -5.653 -7.664 517 HG23 ILE 69 3HG2 ILE 69 4.064 -5.534 -9.199 518 HD11 ILE 69 1HD1 ILE 69 2.691 -2.017 -9.277 519 HD12 ILE 69 2HD1 ILE 69 2.616 -3.787 -9.445 520 HD13 ILE 69 3HD1 ILE 69 1.375 -2.930 -8.500 521 H THR 70 H THR 70 5.894 -6.182 -5.422 522 HA THR 70 HA THR 70 8.564 -6.489 -6.615 523 HB THR 70 HB THR 70 8.916 -8.012 -4.632 524 HG1 THR 70 1HG THR 70 6.406 -6.882 -3.702 525 HG21 THR 70 1HG2 THR 70 9.626 -5.948 -3.831 526 HG22 THR 70 2HG2 THR 70 8.134 -5.127 -4.346 527 HG23 THR 70 3HG2 THR 70 8.150 -6.085 -2.846 528 H LYS 71 H LYS 71 5.434 -8.152 -5.988 529 HA LYS 71 HA LYS 71 5.941 -9.760 -8.333 530 HB2 LYS 71 1HB LYS 71 7.005 -11.025 -6.464 531 HB3 LYS 71 2HB LYS 71 5.455 -11.087 -5.650 532 HG2 LYS 71 1HG LYS 71 4.527 -12.566 -7.209 533 HG3 LYS 71 2HG LYS 71 5.544 -12.001 -8.519 534 HD2 LYS 71 1HD LYS 71 6.931 -13.332 -6.206 535 HD3 LYS 71 2HD LYS 71 5.967 -14.362 -7.246 536 HE2 LYS 71 1HE LYS 71 7.287 -13.894 -9.164 537 HE3 LYS 71 2HE LYS 71 7.916 -12.403 -8.492 538 HZ1 LYS 71 1HZ LYS 71 8.655 -15.142 -7.803 539 HZ2 LYS 71 2HZ LYS 71 9.622 -13.904 -8.251 540 HZ3 LYS 71 3HZ LYS 71 8.953 -13.920 -6.761 541 H VAL 72 H VAL 72 3.971 -10.750 -9.160 542 HA VAL 72 HA VAL 72 1.550 -9.719 -7.866 543 HB VAL 72 HB VAL 72 2.209 -9.630 -10.817 544 HG11 VAL 72 1HG1 VAL 72 0.027 -8.181 -10.744 545 HG12 VAL 72 2HG1 VAL 72 -0.086 -9.956 -10.795 546 HG13 VAL 72 3HG1 VAL 72 -0.304 -9.094 -9.253 547 HG21 VAL 72 1HG2 VAL 72 1.739 -7.066 -10.183 548 HG22 VAL 72 2HG2 VAL 72 2.383 -7.622 -8.620 549 HG23 VAL 72 3HG2 VAL 72 3.360 -7.797 -10.097 550 H LYS 73 H LYS 73 -0.089 -11.203 -7.688 551 HA LYS 73 HA LYS 73 0.519 -13.898 -8.205 552 HB2 LYS 73 1HB LYS 73 -0.952 -13.006 -6.375 553 HB3 LYS 73 2HB LYS 73 -2.179 -12.665 -7.579 554 HG2 LYS 73 1HG LYS 73 -2.652 -14.845 -6.579 555 HG3 LYS 73 2HG LYS 73 -2.175 -15.087 -8.248 556 HD2 LYS 73 1HD LYS 73 0.066 -15.777 -7.603 557 HD3 LYS 73 2HD LYS 73 -0.184 -15.263 -5.946 558 HE2 LYS 73 1HE LYS 73 -1.789 -17.481 -7.303 559 HE3 LYS 73 2HE LYS 73 -0.388 -17.767 -6.290 560 HZ1 LYS 73 1HZ LYS 73 -2.240 -16.063 -5.017 561 HZ2 LYS 73 2HZ LYS 73 -2.949 -17.469 -5.448 562 HZ3 LYS 73 3HZ LYS 73 -1.620 -17.482 -4.500 563 H LYS 74 H LYS 74 0.284 -15.123 -10.004 564 HA LYS 74 HA LYS 74 -0.760 -13.838 -12.353 565 HB2 LYS 74 1HB LYS 74 1.331 -15.336 -12.163 566 HB3 LYS 74 2HB LYS 74 0.216 -16.688 -12.139 567 HG2 LYS 74 1HG LYS 74 0.174 -16.594 -14.405 568 HG3 LYS 74 2HG LYS 74 -0.715 -15.090 -14.266 569 HD2 LYS 74 1HD LYS 74 1.041 -14.135 -15.360 570 HD3 LYS 74 2HD LYS 74 1.891 -14.235 -13.830 571 HE2 LYS 74 1HE LYS 74 1.888 -16.680 -15.600 572 HE3 LYS 74 2HE LYS 74 2.894 -15.327 -16.077 573 HZ1 LYS 74 1HZ LYS 74 3.215 -17.122 -13.892 574 HZ2 LYS 74 2HZ LYS 74 4.328 -16.200 -14.652 575 HZ3 LYS 74 3HZ LYS 74 3.412 -15.560 -13.460 576 H GLY 75 H GLY 75 -2.935 -13.672 -12.565 577 HA2 GLY 75 1HA GLY 75 -4.955 -14.653 -13.163 578 HA3 GLY 75 2HA GLY 75 -4.488 -16.144 -12.370 579 H SER 76 H SER 76 -4.555 -12.692 -11.228 580 HA SER 76 HA SER 76 -6.588 -13.484 -9.325 581 HB2 SER 76 1HB SER 76 -3.820 -13.048 -8.648 582 HB3 SER 76 2HB SER 76 -4.752 -11.729 -7.967 583 HG SER 76 HG SER 76 -4.480 -14.112 -6.905 584 H LEU 77 H LEU 77 -6.966 -11.175 -7.913 585 HA LEU 77 HA LEU 77 -8.267 -9.514 -9.667 586 HB2 LEU 77 1HB LEU 77 -7.306 -9.267 -6.848 587 HB3 LEU 77 2HB LEU 77 -7.950 -7.849 -7.650 588 HG LEU 77 HG LEU 77 -9.640 -9.000 -6.299 589 HD11 LEU 77 1HD1 LEU 77 -10.989 -8.013 -7.765 590 HD12 LEU 77 2HD1 LEU 77 -9.892 -8.366 -9.122 591 HD13 LEU 77 3HD1 LEU 77 -11.090 -9.578 -8.608 592 HD21 LEU 77 1HD2 LEU 77 -10.519 -11.201 -7.002 593 HD22 LEU 77 2HD2 LEU 77 -9.185 -11.338 -8.173 594 HD23 LEU 77 3HD2 LEU 77 -8.836 -11.278 -6.429 595 H ALA 78 H ALA 78 -5.243 -8.592 -7.871 596 HA ALA 78 HA ALA 78 -4.711 -6.517 -9.741 597 HB1 ALA 78 1HB ALA 78 -2.389 -6.900 -8.310 598 HB2 ALA 78 2HB ALA 78 -3.763 -5.904 -7.774 599 HB3 ALA 78 3HB ALA 78 -3.611 -7.587 -7.213 600 H ASP 79 H ASP 79 -4.958 -8.152 -11.632 601 HA ASP 79 HA ASP 79 -2.484 -8.487 -12.758 602 HB2 ASP 79 1HB ASP 79 -2.529 -10.403 -10.959 603 HB3 ASP 79 2HB ASP 79 -3.670 -11.190 -12.031 604 H THR 80 H THR 80 -5.714 -10.123 -12.381 605 HA THR 80 HA THR 80 -5.969 -10.433 -15.248 606 HB THR 80 HB THR 80 -8.029 -11.641 -14.595 607 HG1 THR 80 1HG THR 80 -8.901 -11.099 -12.618 608 HG21 THR 80 1HG2 THR 80 -6.199 -13.126 -14.198 609 HG22 THR 80 2HG2 THR 80 -5.572 -12.129 -12.863 610 HG23 THR 80 3HG2 THR 80 -7.049 -13.096 -12.634 611 H VAL 81 H VAL 81 -7.348 -8.415 -12.612 612 HA VAL 81 HA VAL 81 -8.820 -6.941 -14.671 613 HB VAL 81 HB VAL 81 -9.954 -5.939 -12.652 614 HG11 VAL 81 1HG1 VAL 81 -10.548 -8.804 -12.375 615 HG12 VAL 81 2HG1 VAL 81 -11.582 -7.463 -12.924 616 HG13 VAL 81 3HG1 VAL 81 -10.466 -8.251 -14.065 617 HG21 VAL 81 1HG2 VAL 81 -8.749 -8.272 -11.143 618 HG22 VAL 81 2HG2 VAL 81 -8.080 -6.624 -11.072 619 HG23 VAL 81 3HG2 VAL 81 -9.739 -6.936 -10.508 620 H GLY 82 H GLY 82 -6.326 -6.710 -12.109 621 HA2 GLY 82 1HA GLY 82 -6.012 -3.864 -12.403 622 HA3 GLY 82 2HA GLY 82 -5.023 -4.964 -11.463 623 H HIS 83 H HIS 83 -4.301 -6.861 -13.500 624 HA HIS 83 HA HIS 83 -2.848 -7.201 -15.109 625 HB2 HIS 83 1HB HIS 83 -3.663 -4.439 -16.051 626 HB3 HIS 83 2HB HIS 83 -2.620 -5.519 -16.955 627 HD1 HIS 83 1HD HIS 83 -3.814 -8.013 -17.446 628 HD2 HIS 83 2HD HIS 83 -6.309 -4.735 -16.659 629 HE1 HIS 83 1HE HIS 83 -6.122 -8.643 -18.333 630 H LEU 84 H LEU 84 -2.340 -5.539 -12.487 631 HA LEU 84 HA LEU 84 -0.194 -3.836 -12.963 632 HB2 LEU 84 1HB LEU 84 -0.799 -5.509 -10.521 633 HB3 LEU 84 2HB LEU 84 0.289 -4.136 -10.583 634 HG LEU 84 HG LEU 84 -2.525 -3.677 -11.459 635 HD11 LEU 84 1HD1 LEU 84 -2.301 -5.119 -9.208 636 HD12 LEU 84 2HD1 LEU 84 -2.074 -3.488 -8.530 637 HD13 LEU 84 3HD1 LEU 84 -3.548 -3.873 -9.450 638 HD21 LEU 84 1HD2 LEU 84 -2.154 -1.520 -10.317 639 HD22 LEU 84 2HD2 LEU 84 -0.527 -2.068 -9.846 640 HD23 LEU 84 3HD2 LEU 84 -0.931 -1.856 -11.566 641 H ARG 85 H ARG 85 2.113 -4.360 -12.003 642 HA ARG 85 HA ARG 85 2.892 -7.061 -12.476 643 HB2 ARG 85 1HB ARG 85 3.424 -4.865 -14.447 644 HB3 ARG 85 2HB ARG 85 4.799 -5.885 -14.071 645 HG2 ARG 85 1HG ARG 85 3.931 -7.674 -15.197 646 HG3 ARG 85 2HG ARG 85 2.338 -7.455 -14.501 647 HD2 ARG 85 1HD ARG 85 1.581 -6.435 -16.388 648 HD3 ARG 85 2HD ARG 85 2.885 -5.265 -16.342 649 HE ARG 85 HE ARG 85 2.819 -7.757 -17.903 650 HH11 ARG 85 2HH2 ARG 85 4.847 -5.203 -16.583 651 HH12 ARG 85 1HH2 ARG 85 6.134 -5.466 -17.711 652 HH21 ARG 85 2HH1 ARG 85 4.517 -8.105 -19.392 653 HH22 ARG 85 1HH1 ARG 85 5.945 -7.128 -19.320 654 HA PRO 86 HA PRO 86 5.982 -5.782 -9.677 655 HB2 PRO 86 1HB PRO 86 7.984 -7.592 -10.111 656 HB3 PRO 86 2HB PRO 86 6.555 -7.952 -9.163 657 HG2 PRO 86 1HG PRO 86 7.227 -8.825 -11.906 658 HG3 PRO 86 2HG PRO 86 6.046 -9.496 -10.799 659 HD2 PRO 86 1HD PRO 86 5.517 -7.816 -13.063 660 HD3 PRO 86 2HD PRO 86 4.350 -8.392 -11.889 661 H GLY 87 H GLY 87 6.673 -3.739 -9.993 662 HA2 GLY 87 1HA GLY 87 9.186 -3.140 -10.670 663 HA3 GLY 87 2HA GLY 87 8.440 -3.265 -12.251 664 H ASP 88 H ASP 88 5.747 -2.360 -11.338 665 HA ASP 88 HA ASP 88 6.065 0.322 -11.823 666 HB2 ASP 88 1HB ASP 88 3.894 -1.520 -11.045 667 HB3 ASP 88 2HB ASP 88 3.647 0.090 -10.398 668 H GLU 89 H GLU 89 4.764 1.925 -10.050 669 HA GLU 89 HA GLU 89 5.853 1.333 -7.426 670 HB2 GLU 89 1HB GLU 89 7.533 2.771 -8.417 671 HB3 GLU 89 2HB GLU 89 6.321 3.881 -9.024 672 HG2 GLU 89 1HG GLU 89 5.634 4.336 -6.610 673 HG3 GLU 89 2HG GLU 89 6.993 3.360 -6.091 674 H VAL 90 H VAL 90 3.926 1.086 -6.327 675 HA VAL 90 HA VAL 90 1.636 2.633 -6.981 676 HB VAL 90 HB VAL 90 1.449 0.381 -6.156 677 HG11 VAL 90 1HG1 VAL 90 2.927 1.434 -3.733 678 HG12 VAL 90 2HG1 VAL 90 1.974 -0.069 -3.699 679 HG13 VAL 90 3HG1 VAL 90 3.367 0.078 -4.798 680 HG21 VAL 90 1HG2 VAL 90 0.241 2.653 -4.687 681 HG22 VAL 90 2HG2 VAL 90 -0.529 1.293 -5.539 682 HG23 VAL 90 3HG2 VAL 90 0.109 1.066 -3.892 683 H LEU 91 H LEU 91 1.182 4.684 -6.381 684 HA LEU 91 HA LEU 91 2.873 5.885 -4.349 685 HB2 LEU 91 1HB LEU 91 0.836 7.120 -6.207 686 HB3 LEU 91 2HB LEU 91 1.927 7.989 -5.145 687 HG LEU 91 HG LEU 91 2.692 6.303 -7.543 688 HD11 LEU 91 1HD1 LEU 91 3.566 8.499 -8.389 689 HD12 LEU 91 2HD1 LEU 91 1.794 8.396 -8.248 690 HD13 LEU 91 3HD1 LEU 91 2.735 9.284 -7.025 691 HD21 LEU 91 1HD2 LEU 91 5.013 7.129 -7.100 692 HD22 LEU 91 2HD2 LEU 91 4.448 7.701 -5.512 693 HD23 LEU 91 3HD2 LEU 91 4.397 5.965 -5.902 694 H GLU 92 H GLU 92 -0.664 5.580 -5.125 695 HA GLU 92 HA GLU 92 -1.107 5.904 -2.259 696 HB2 GLU 92 1HB GLU 92 -2.781 6.721 -4.658 697 HB3 GLU 92 2HB GLU 92 -3.499 6.559 -3.068 698 HG2 GLU 92 1HG GLU 92 -2.109 8.285 -2.136 699 HG3 GLU 92 2HG GLU 92 -0.999 8.239 -3.491 700 H TRP 93 H TRP 93 -2.963 4.636 -1.341 701 HA TRP 93 HA TRP 93 -3.642 2.287 -2.946 702 HB2 TRP 93 1HB TRP 93 -1.721 1.612 -1.644 703 HB3 TRP 93 2HB TRP 93 -2.447 2.223 -0.171 704 HD1 TRP 93 HD TRP 93 -4.701 0.794 0.716 705 HE1 TRP 93 1HE TRP 93 -5.352 -1.758 0.551 706 HE3 TRP 93 3HE TRP 93 -1.509 -0.316 -3.083 707 HZ2 TRP 93 2HZ TRP 93 -4.478 -3.907 -1.112 708 HZ3 TRP 93 3HZ TRP 93 -1.470 -2.664 -3.919 709 HH2 TRP 93 HH TRP 93 -2.886 -4.430 -2.997 710 H ASN 94 H ASN 94 -5.799 2.928 -3.189 711 HA ASN 94 HA ASN 94 -7.892 3.097 -2.629 712 HB2 ASN 94 1HB ASN 94 -6.763 1.782 -0.281 713 HB3 ASN 94 2HB ASN 94 -8.010 2.899 0.237 714 HD21 ASN 94 1HD2 ASN 94 -7.757 -0.111 -0.024 715 HD22 ASN 94 2HD2 ASN 94 -9.193 -0.624 -0.846 716 H GLY 95 H GLY 95 -5.803 5.314 -2.398 717 HA2 GLY 95 1HA GLY 95 -6.372 7.594 -2.200 718 HA3 GLY 95 2HA GLY 95 -7.463 7.214 -0.883 719 H ARG 96 H ARG 96 -5.094 5.216 -0.019 720 HA ARG 96 HA ARG 96 -3.995 7.144 1.769 721 HB2 ARG 96 1HB ARG 96 -3.916 4.134 1.487 722 HB3 ARG 96 2HB ARG 96 -2.672 4.898 2.457 723 HG2 ARG 96 1HG ARG 96 -5.452 5.853 2.990 724 HG3 ARG 96 2HG ARG 96 -5.151 4.179 3.412 725 HD2 ARG 96 1HD ARG 96 -2.917 5.245 4.504 726 HD3 ARG 96 2HD ARG 96 -3.922 6.679 4.563 727 HE ARG 96 HE ARG 96 -4.286 4.221 6.126 728 HH11 ARG 96 2HH2 ARG 96 -5.834 7.141 4.919 729 HH12 ARG 96 1HH2 ARG 96 -7.070 7.141 6.134 730 HH21 ARG 96 2HH1 ARG 96 -5.915 4.220 7.728 731 HH22 ARG 96 1HH1 ARG 96 -7.116 5.469 7.742 732 H LEU 97 H LEU 97 -2.135 8.285 1.327 733 HA LEU 97 HA LEU 97 -0.566 7.620 -0.946 734 HB2 LEU 97 1HB LEU 97 -0.997 9.911 -0.318 735 HB3 LEU 97 2HB LEU 97 -0.235 9.674 1.242 736 HG LEU 97 HG LEU 97 1.716 8.941 -0.653 737 HD11 LEU 97 1HD1 LEU 97 0.521 9.977 -2.449 738 HD12 LEU 97 2HD1 LEU 97 0.240 11.449 -1.488 739 HD13 LEU 97 3HD1 LEU 97 1.888 11.030 -2.014 740 HD21 LEU 97 1HD2 LEU 97 1.940 10.074 1.594 741 HD22 LEU 97 2HD2 LEU 97 2.984 10.703 0.297 742 HD23 LEU 97 3HD2 LEU 97 1.522 11.598 0.775 743 H LEU 98 H LEU 98 1.351 6.515 -1.098 744 HA LEU 98 HA LEU 98 2.248 5.262 1.385 745 HB2 LEU 98 1HB LEU 98 2.894 4.518 -1.468 746 HB3 LEU 98 2HB LEU 98 3.278 3.601 -0.024 747 HG LEU 98 HG LEU 98 0.551 4.080 -1.241 748 HD11 LEU 98 1HD1 LEU 98 0.640 1.466 -1.020 749 HD12 LEU 98 2HD1 LEU 98 1.441 2.292 -2.378 750 HD13 LEU 98 3HD1 LEU 98 2.399 1.736 -0.985 751 HD21 LEU 98 1HD2 LEU 98 1.252 3.537 1.547 752 HD22 LEU 98 2HD2 LEU 98 -0.291 4.052 0.825 753 HD23 LEU 98 3HD2 LEU 98 0.149 2.327 0.848 754 H GLN 99 H GLN 99 3.053 7.672 -1.013 755 HA GLN 99 HA GLN 99 5.784 7.583 -0.932 756 HB2 GLN 99 1HB GLN 99 3.702 9.579 -1.602 757 HB3 GLN 99 2HB GLN 99 5.217 10.301 -1.096 758 HG2 GLN 99 1HG GLN 99 6.264 8.473 -2.758 759 HG3 GLN 99 2HG GLN 99 4.663 8.515 -3.469 760 HE21 GLN 99 1HE2 GLN 99 4.969 9.576 -5.303 761 HE22 GLN 99 2HE2 GLN 99 5.605 11.179 -5.467 762 H GLY 100 H GLY 100 7.247 7.832 0.699 763 HA2 GLY 100 1HA GLY 100 8.212 8.965 2.470 764 HA3 GLY 100 2HA GLY 100 6.688 9.753 2.826 765 H ALA 101 H ALA 101 5.106 7.196 2.651 766 HA ALA 101 HA ALA 101 5.186 6.496 5.335 767 HB1 ALA 101 1HB ALA 101 4.101 4.982 2.926 768 HB2 ALA 101 2HB ALA 101 3.678 4.658 4.624 769 HB3 ALA 101 3HB ALA 101 3.230 6.210 3.876 770 H THR 102 H THR 102 5.950 4.600 6.432 771 HA THR 102 HA THR 102 8.400 3.576 5.251 772 HB THR 102 HB THR 102 8.985 3.104 7.493 773 HG1 THR 102 1HG THR 102 6.092 3.144 7.983 774 HG21 THR 102 1HG2 THR 102 8.144 5.604 7.187 775 HG22 THR 102 2HG2 THR 102 6.757 5.058 8.159 776 HG23 THR 102 3HG2 THR 102 8.403 4.974 8.832 777 H PHE 103 H PHE 103 8.866 1.145 5.782 778 HA PHE 103 HA PHE 103 7.365 -0.369 4.105 779 HB2 PHE 103 1HB PHE 103 9.594 -0.971 5.052 780 HB3 PHE 103 2HB PHE 103 8.920 -1.055 6.667 781 HD1 PHE 103 2HD PHE 103 9.171 -2.756 3.432 782 HD2 PHE 103 1HD PHE 103 7.657 -2.987 7.389 783 HE1 PHE 103 2HE PHE 103 8.735 -5.209 3.122 784 HE2 PHE 103 1HE PHE 103 7.221 -5.440 7.079 785 HZ PHE 103 HZ PHE 103 7.766 -6.521 4.949 786 H GLU 104 H GLU 104 6.956 0.044 7.673 787 HA GLU 104 HA GLU 104 4.939 -1.869 7.879 788 HB2 GLU 104 1HB GLU 104 5.726 0.502 9.616 789 HB3 GLU 104 2HB GLU 104 4.439 -0.597 10.069 790 HG2 GLU 104 1HG GLU 104 6.617 -2.265 9.308 791 HG3 GLU 104 2HG GLU 104 7.330 -0.976 10.257 792 H GLU 105 H GLU 105 4.719 1.768 7.986 793 HA GLU 105 HA GLU 105 2.097 2.088 8.044 794 HB2 GLU 105 1HB GLU 105 4.312 3.582 6.690 795 HB3 GLU 105 2HB GLU 105 2.681 4.040 6.240 796 HG2 GLU 105 1HG GLU 105 2.205 4.115 8.817 797 HG3 GLU 105 2HG GLU 105 3.948 4.102 9.003 798 H VAL 106 H VAL 106 3.973 1.648 4.955 799 HA VAL 106 HA VAL 106 1.862 1.660 3.219 800 HB VAL 106 HB VAL 106 4.434 0.073 3.186 801 HG11 VAL 106 1HG1 VAL 106 4.087 -0.559 1.002 802 HG12 VAL 106 2HG1 VAL 106 2.419 -0.635 1.620 803 HG13 VAL 106 3HG1 VAL 106 2.955 0.775 0.676 804 HG21 VAL 106 1HG2 VAL 106 5.177 1.898 1.653 805 HG22 VAL 106 2HG2 VAL 106 3.656 2.755 1.996 806 HG23 VAL 106 3HG2 VAL 106 4.823 2.455 3.306 807 H TYR 107 H TYR 107 3.182 -1.090 5.160 808 HA TYR 107 HA TYR 107 1.458 -3.025 4.092 809 HB2 TYR 107 1HB TYR 107 3.645 -3.087 5.600 810 HB3 TYR 107 2HB TYR 107 2.562 -2.820 6.951 811 HD1 TYR 107 2HD TYR 107 0.347 -4.514 6.718 812 HD2 TYR 107 1HD TYR 107 4.338 -5.281 5.381 813 HE1 TYR 107 2HE TYR 107 -0.077 -7.016 6.865 814 HE2 TYR 107 1HE TYR 107 3.901 -7.781 5.532 815 HH TYR 107 HH TYR 107 0.820 -8.999 6.787 816 H ASN 108 H ASN 108 1.296 -1.212 7.245 817 HA ASN 108 HA ASN 108 -0.940 -2.205 8.245 818 HB2 ASN 108 1HB ASN 108 0.188 0.600 8.178 819 HB3 ASN 108 2HB ASN 108 -1.406 0.390 8.874 820 HD21 ASN 108 1HD2 ASN 108 0.632 1.294 10.404 821 HD22 ASN 108 2HD2 ASN 108 1.117 0.117 11.579 822 H ILE 109 H ILE 109 -0.688 0.433 5.756 823 HA ILE 109 HA ILE 109 -3.319 1.087 5.484 824 HB ILE 109 HB ILE 109 -1.122 0.907 3.425 825 HG12 ILE 109 1HG1 ILE 109 -2.203 3.395 4.742 826 HG13 ILE 109 2HG1 ILE 109 -0.968 2.427 5.521 827 HG21 ILE 109 1HG2 ILE 109 -3.819 1.111 2.845 828 HG22 ILE 109 2HG2 ILE 109 -3.272 2.805 2.872 829 HG23 ILE 109 3HG2 ILE 109 -2.471 1.628 1.803 830 HD11 ILE 109 1HD1 ILE 109 -0.782 4.142 3.090 831 HD12 ILE 109 2HD1 ILE 109 0.458 3.753 4.306 832 HD13 ILE 109 3HD1 ILE 109 0.096 2.596 3.003 833 H ILE 110 H ILE 110 -1.683 -1.148 3.138 834 HA ILE 110 HA ILE 110 -3.884 -2.182 1.995 835 HB ILE 110 HB ILE 110 -1.273 -3.511 2.699 836 HG12 ILE 110 1HG1 ILE 110 -1.911 -2.835 -0.094 837 HG13 ILE 110 2HG1 ILE 110 -1.817 -1.443 0.965 838 HG21 ILE 110 1HG2 ILE 110 -2.425 -4.770 0.449 839 HG22 ILE 110 2HG2 ILE 110 -2.085 -5.469 2.051 840 HG23 ILE 110 3HG2 ILE 110 -3.675 -4.742 1.716 841 HD11 ILE 110 1HD1 ILE 110 0.401 -1.994 -0.013 842 HD12 ILE 110 2HD1 ILE 110 0.420 -2.160 1.760 843 HD13 ILE 110 3HD1 ILE 110 0.323 -3.609 0.730 844 H LEU 111 H LEU 111 -2.721 -2.743 5.286 845 HA LEU 111 HA LEU 111 -4.285 -5.073 5.721 846 HB2 LEU 111 1HB LEU 111 -2.282 -3.605 7.060 847 HB3 LEU 111 2HB LEU 111 -3.674 -3.616 8.124 848 HG LEU 111 HG LEU 111 -2.190 -6.003 7.004 849 HD11 LEU 111 1HD1 LEU 111 -2.234 -4.566 9.579 850 HD12 LEU 111 2HD1 LEU 111 -2.338 -6.339 9.702 851 HD13 LEU 111 3HD1 LEU 111 -0.973 -5.584 8.844 852 HD21 LEU 111 1HD2 LEU 111 -4.302 -6.608 8.929 853 HD22 LEU 111 2HD2 LEU 111 -4.925 -5.930 7.406 854 HD23 LEU 111 3HD2 LEU 111 -3.898 -7.385 7.379 855 H GLU 112 H GLU 112 -4.612 -1.677 6.988 856 HA GLU 112 HA GLU 112 -7.071 -1.988 8.069 857 HB2 GLU 112 1HB GLU 112 -5.951 0.480 6.669 858 HB3 GLU 112 2HB GLU 112 -7.313 0.493 7.771 859 HG2 GLU 112 1HG GLU 112 -5.362 -0.888 9.226 860 HG3 GLU 112 2HG GLU 112 -4.418 0.310 8.362 861 H SER 113 H SER 113 -6.169 -1.858 4.674 862 HA SER 113 HA SER 113 -8.888 -1.320 3.888 863 HB2 SER 113 1HB SER 113 -6.546 -1.980 2.062 864 HB3 SER 113 2HB SER 113 -8.029 -1.146 1.639 865 HG SER 113 HG SER 113 -5.745 -0.023 2.382 866 H LYS 114 H LYS 114 -8.083 -3.815 5.393 867 HA LYS 114 HA LYS 114 -8.065 -5.950 3.522 868 HB2 LYS 114 1HB LYS 114 -8.078 -5.611 6.466 869 HB3 LYS 114 2HB LYS 114 -8.818 -7.087 5.880 870 HG2 LYS 114 1HG LYS 114 -6.653 -7.247 4.349 871 HG3 LYS 114 2HG LYS 114 -5.968 -6.126 5.509 872 HD2 LYS 114 1HD LYS 114 -5.388 -8.254 6.384 873 HD3 LYS 114 2HD LYS 114 -6.774 -7.779 7.346 874 HE2 LYS 114 1HE LYS 114 -7.946 -9.591 6.642 875 HE3 LYS 114 2HE LYS 114 -7.735 -9.126 4.966 876 HZ1 LYS 114 1HZ LYS 114 -5.958 -10.467 4.749 877 HZ2 LYS 114 2HZ LYS 114 -5.451 -10.300 6.292 878 HZ3 LYS 114 3HZ LYS 114 -6.696 -11.299 5.945 879 HA PRO 115 HA PRO 115 -12.657 -6.053 4.644 880 HB2 PRO 115 1HB PRO 115 -13.783 -3.958 5.991 881 HB3 PRO 115 2HB PRO 115 -13.236 -5.423 6.782 882 HG2 PRO 115 1HG PRO 115 -11.969 -2.753 6.745 883 HG3 PRO 115 2HG PRO 115 -11.686 -4.087 7.845 884 HD2 PRO 115 1HD PRO 115 -10.005 -3.273 5.669 885 HD3 PRO 115 2HD PRO 115 -9.784 -4.675 6.696 886 H GLU 116 H GLU 116 -11.126 -3.179 3.627 887 HA GLU 116 HA GLU 116 -13.050 -1.773 2.461 888 HB2 GLU 116 1HB GLU 116 -10.205 -2.334 1.843 889 HB3 GLU 116 2HB GLU 116 -11.120 -1.746 0.469 890 HG2 GLU 116 1HG GLU 116 -11.904 -0.156 2.728 891 HG3 GLU 116 2HG GLU 116 -10.155 -0.264 2.768 892 HA PRO 117 HA PRO 117 -14.913 -4.398 -0.471 893 HB2 PRO 117 1HB PRO 117 -16.485 -2.572 -1.759 894 HB3 PRO 117 2HB PRO 117 -16.938 -3.326 -0.243 895 HG2 PRO 117 1HG PRO 117 -15.965 -0.577 -0.727 896 HG3 PRO 117 2HG PRO 117 -16.811 -1.212 0.670 897 HD2 PRO 117 1HD PRO 117 -14.006 -0.644 0.474 898 HD3 PRO 117 2HD PRO 117 -14.833 -1.386 1.829 899 H GLN 118 H GLN 118 -13.169 -1.570 -1.421 900 HA GLN 118 HA GLN 118 -12.494 -3.026 -3.847 901 HB2 GLN 118 1HB GLN 118 -12.732 -1.101 -5.229 902 HB3 GLN 118 2HB GLN 118 -14.183 -1.134 -4.248 903 HG2 GLN 118 1HG GLN 118 -12.728 0.387 -2.597 904 HG3 GLN 118 2HG GLN 118 -11.800 0.715 -4.046 905 HE21 GLN 118 1HE2 GLN 118 -13.550 0.798 -6.041 906 HE22 GLN 118 2HE2 GLN 118 -14.733 2.047 -5.837 907 H VAL 119 H VAL 119 -10.459 -1.805 -4.925 908 HA VAL 119 HA VAL 119 -8.732 -0.693 -2.872 909 HB VAL 119 HB VAL 119 -7.792 -3.032 -4.516 910 HG11 VAL 119 1HG1 VAL 119 -6.098 -3.182 -2.694 911 HG12 VAL 119 2HG1 VAL 119 -6.042 -1.643 -3.586 912 HG13 VAL 119 3HG1 VAL 119 -6.791 -1.710 -1.973 913 HG21 VAL 119 1HG2 VAL 119 -9.682 -3.859 -3.218 914 HG22 VAL 119 2HG2 VAL 119 -8.156 -4.474 -2.538 915 HG23 VAL 119 3HG2 VAL 119 -9.012 -3.135 -1.736 916 H GLU 120 H GLU 120 -8.376 1.253 -3.853 917 HA GLU 120 HA GLU 120 -7.909 1.212 -6.709 918 HB2 GLU 120 1HB GLU 120 -9.518 2.864 -6.024 919 HB3 GLU 120 2HB GLU 120 -8.496 3.433 -4.719 920 HG2 GLU 120 1HG GLU 120 -6.981 3.637 -7.166 921 HG3 GLU 120 2HG GLU 120 -8.562 4.330 -7.463 922 H LEU 121 H LEU 121 -5.858 1.243 -7.521 923 HA LEU 121 HA LEU 121 -3.732 2.054 -5.669 924 HB2 LEU 121 1HB LEU 121 -3.612 0.245 -8.086 925 HB3 LEU 121 2HB LEU 121 -2.259 0.673 -7.058 926 HG LEU 121 HG LEU 121 -4.566 -1.157 -6.506 927 HD11 LEU 121 1HD1 LEU 121 -2.278 -1.894 -7.341 928 HD12 LEU 121 2HD1 LEU 121 -1.662 -1.449 -5.732 929 HD13 LEU 121 3HD1 LEU 121 -2.907 -2.711 -5.891 930 HD21 LEU 121 1HD2 LEU 121 -3.992 -1.147 -4.089 931 HD22 LEU 121 2HD2 LEU 121 -2.973 0.285 -4.371 932 HD23 LEU 121 3HD2 LEU 121 -4.729 0.372 -4.654 933 H VAL 122 H VAL 122 -1.776 3.073 -6.803 934 HA VAL 122 HA VAL 122 -2.482 4.528 -9.207 935 HB VAL 122 HB VAL 122 -1.588 6.038 -6.758 936 HG11 VAL 122 1HG1 VAL 122 -2.482 6.736 -9.535 937 HG12 VAL 122 2HG1 VAL 122 -2.811 7.876 -8.208 938 HG13 VAL 122 3HG1 VAL 122 -1.137 7.390 -8.570 939 HG21 VAL 122 1HG2 VAL 122 -3.886 6.749 -6.387 940 HG22 VAL 122 2HG2 VAL 122 -4.446 5.741 -7.743 941 HG23 VAL 122 3HG2 VAL 122 -3.777 4.975 -6.282 942 H VAL 123 H VAL 123 -0.806 3.827 -10.453 943 HA VAL 123 HA VAL 123 1.849 3.837 -9.203 944 HB VAL 123 HB VAL 123 2.259 2.470 -11.439 945 HG11 VAL 123 1HG1 VAL 123 1.061 1.457 -8.848 946 HG12 VAL 123 2HG1 VAL 123 1.689 0.374 -10.114 947 HG13 VAL 123 3HG1 VAL 123 2.776 1.536 -9.316 948 HG21 VAL 123 1HG2 VAL 123 -0.053 2.785 -12.267 949 HG22 VAL 123 2HG2 VAL 123 0.360 1.068 -12.041 950 HG23 VAL 123 3HG2 VAL 123 -0.666 1.901 -10.849 951 H SER 124 H SER 124 3.597 4.887 -10.267 952 HA SER 124 HA SER 124 2.762 6.568 -12.493 953 HB2 SER 124 1HB SER 124 2.864 7.812 -10.259 954 HB3 SER 124 2HB SER 124 4.588 7.497 -10.237 955 HG SER 124 HG SER 124 4.761 8.644 -12.288 956 H ARG 125 H ARG 125 3.924 5.727 -14.200 957 HA ARG 125 HA ARG 125 6.677 4.993 -13.622 958 HB2 ARG 125 1HB ARG 125 6.520 3.636 -15.748 959 HB3 ARG 125 2HB ARG 125 5.381 3.122 -14.520 960 HG2 ARG 125 1HG ARG 125 3.567 4.410 -15.614 961 HG3 ARG 125 2HG ARG 125 4.695 5.035 -16.802 962 HD2 ARG 125 1HD ARG 125 3.441 3.142 -17.763 963 HD3 ARG 125 2HD ARG 125 5.134 2.714 -17.620 964 HE ARG 125 HE ARG 125 4.144 1.801 -15.237 965 HH11 ARG 125 2HH2 ARG 125 3.028 1.394 -18.550 966 HH12 ARG 125 1HH2 ARG 125 2.312 -0.155 -18.253 967 HH21 ARG 125 2HH1 ARG 125 3.199 -0.243 -14.846 968 HH22 ARG 125 1HH1 ARG 125 2.410 -1.093 -16.132 969 H SER 126 H SER 126 8.359 5.653 -15.178 970 HA SER 126 HA SER 126 7.717 8.200 -16.322 971 HB2 SER 126 1HB SER 126 10.009 8.614 -16.306 972 HB3 SER 126 2HB SER 126 9.876 7.469 -14.986 973 HG SER 126 HG SER 126 11.524 7.197 -16.936 974 H GLY 127 H GLY 127 7.143 8.474 -18.448 975 HA2 GLY 127 1HA GLY 127 6.943 6.313 -20.235 976 HA3 GLY 127 2HA GLY 127 6.770 8.015 -20.616 977 HA PRO 128 HA PRO 128 10.592 6.622 -22.622 978 HB2 PRO 128 1HB PRO 128 9.993 7.439 -25.160 979 HB3 PRO 128 2HB PRO 128 9.702 5.809 -24.584 980 HG2 PRO 128 1HG PRO 128 7.756 7.986 -25.045 981 HG3 PRO 128 2HG PRO 128 7.462 6.266 -24.887 982 HD2 PRO 128 1HD PRO 128 6.988 8.278 -22.898 983 HD3 PRO 128 2HD PRO 128 6.803 6.546 -22.703 984 H SER 129 H SER 129 9.195 9.386 -21.702 985 HA SER 129 HA SER 129 10.833 11.188 -23.125 986 HB2 SER 129 1HB SER 129 9.035 11.393 -20.692 987 HB3 SER 129 2HB SER 129 10.045 12.748 -21.157 988 HG SER 129 HG SER 129 8.622 13.230 -22.670 989 H SER 130 H SER 130 10.717 10.302 -19.588 990 HA SER 130 HA SER 130 13.188 11.451 -19.056 991 HB2 SER 130 1HB SER 130 11.132 10.463 -17.545 992 HB3 SER 130 2HB SER 130 12.295 9.167 -17.347 993 HG SER 130 HG SER 130 12.302 11.724 -16.269 994 H GLY 131 H GLY 131 15.227 10.742 -19.569 995 HA2 GLY 131 1HA GLY 131 15.768 7.874 -19.612 996 HA3 GLY 131 2HA GLY 131 15.974 8.739 -21.122 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -46.745 -3.248 -10.529 2 HA2 GLY 1 1HA GLY 1 -44.823 -2.529 -9.613 3 HA3 GLY 1 2HA GLY 1 -44.254 -4.186 -9.640 4 H SER 2 H SER 2 -42.667 -4.790 -11.095 5 HA SER 2 HA SER 2 -41.307 -4.712 -12.801 6 HB2 SER 2 1HB SER 2 -43.516 -3.567 -13.937 7 HB3 SER 2 2HB SER 2 -42.386 -2.236 -14.084 8 HG SER 2 HG SER 2 -42.549 -4.471 -15.609 9 H SER 3 H SER 3 -42.239 -1.275 -12.015 10 HA SER 3 HA SER 3 -41.088 0.413 -11.282 11 HB2 SER 3 1HB SER 3 -40.137 -1.570 -9.733 12 HB3 SER 3 2HB SER 3 -38.648 -1.206 -10.580 13 HG SER 3 HG SER 3 -39.949 1.102 -9.718 14 H GLY 4 H GLY 4 -38.916 1.707 -11.658 15 HA2 GLY 4 1HA GLY 4 -36.924 1.142 -13.356 16 HA3 GLY 4 2HA GLY 4 -38.255 1.400 -14.467 17 H SER 5 H SER 5 -35.695 2.925 -12.968 18 HA SER 5 HA SER 5 -36.557 5.443 -13.807 19 HB2 SER 5 1HB SER 5 -37.847 5.186 -11.612 20 HB3 SER 5 2HB SER 5 -36.304 5.173 -10.782 21 HG SER 5 HG SER 5 -35.894 7.298 -11.433 22 H SER 6 H SER 6 -34.696 6.557 -14.347 23 HA SER 6 HA SER 6 -32.238 5.356 -13.928 24 HB2 SER 6 1HB SER 6 -33.278 7.833 -15.166 25 HB3 SER 6 2HB SER 6 -31.654 8.015 -14.535 26 HG SER 6 HG SER 6 -32.449 5.824 -16.252 27 H GLY 7 H GLY 7 -31.001 5.297 -12.091 28 HA2 GLY 7 1HA GLY 7 -31.451 7.404 -10.073 29 HA3 GLY 7 2HA GLY 7 -30.894 5.772 -9.757 30 H HIS 8 H HIS 8 -28.701 5.128 -10.477 31 HA HIS 8 HA HIS 8 -26.941 7.443 -10.402 32 HB2 HIS 8 1HB HIS 8 -26.615 4.522 -9.747 33 HB3 HIS 8 2HB HIS 8 -25.210 5.527 -10.045 34 HD1 HIS 8 1HD HIS 8 -26.530 4.190 -7.253 35 HD2 HIS 8 2HD HIS 8 -26.088 8.215 -8.349 36 HE1 HIS 8 1HE HIS 8 -26.546 5.528 -5.080 37 H SER 9 H SER 9 -24.801 7.103 -11.736 38 HA SER 9 HA SER 9 -25.330 7.372 -14.323 39 HB2 SER 9 1HB SER 9 -22.968 6.751 -12.715 40 HB3 SER 9 2HB SER 9 -22.843 6.011 -14.299 41 HG SER 9 HG SER 9 -23.709 8.389 -14.908 42 H HIS 10 H HIS 10 -24.174 4.252 -12.829 43 HA HIS 10 HA HIS 10 -24.560 2.154 -13.346 44 HB2 HIS 10 1HB HIS 10 -26.987 3.232 -13.649 45 HB3 HIS 10 2HB HIS 10 -26.724 2.756 -15.315 46 HD1 HIS 10 1HD HIS 10 -28.504 1.503 -12.671 47 HD2 HIS 10 2HD HIS 10 -25.456 -0.203 -14.994 48 HE1 HIS 10 1HE HIS 10 -28.754 -1.025 -12.433 49 H SER 11 H SER 11 -23.203 0.938 -14.571 50 HA SER 11 HA SER 11 -21.995 0.249 -16.237 51 HB2 SER 11 1HB SER 11 -23.795 1.844 -18.112 52 HB3 SER 11 2HB SER 11 -22.765 0.497 -18.552 53 HG SER 11 HG SER 11 -25.325 0.440 -17.633 54 H ASP 12 H ASP 12 -20.600 1.137 -18.273 55 HA ASP 12 HA ASP 12 -19.065 2.496 -18.977 56 HB2 ASP 12 1HB ASP 12 -21.187 4.065 -19.095 57 HB3 ASP 12 2HB ASP 12 -20.466 4.878 -17.720 58 H LYS 13 H LYS 13 -17.780 1.428 -17.143 59 HA LYS 13 HA LYS 13 -16.661 3.485 -15.459 60 HB2 LYS 13 1HB LYS 13 -18.298 1.217 -14.379 61 HB3 LYS 13 2HB LYS 13 -16.886 1.741 -13.484 62 HG2 LYS 13 1HG LYS 13 -18.198 4.142 -14.239 63 HG3 LYS 13 2HG LYS 13 -19.489 3.056 -13.763 64 HD2 LYS 13 1HD LYS 13 -17.050 3.199 -11.994 65 HD3 LYS 13 2HD LYS 13 -18.161 4.554 -11.962 66 HE2 LYS 13 1HE LYS 13 -19.903 2.386 -11.828 67 HE3 LYS 13 2HE LYS 13 -18.523 1.794 -10.925 68 HZ1 LYS 13 1HZ LYS 13 -20.036 4.254 -10.416 69 HZ2 LYS 13 2HZ LYS 13 -19.901 2.949 -9.443 70 HZ3 LYS 13 3HZ LYS 13 -18.614 3.924 -9.685 71 H HIS 14 H HIS 14 -14.475 3.202 -15.252 72 HA HIS 14 HA HIS 14 -13.468 0.582 -16.096 73 HB2 HIS 14 1HB HIS 14 -11.431 2.055 -16.847 74 HB3 HIS 14 2HB HIS 14 -12.822 1.837 -17.891 75 HD1 HIS 14 1HD HIS 14 -13.141 4.010 -19.082 76 HD2 HIS 14 2HD HIS 14 -12.340 4.551 -15.000 77 HE1 HIS 14 1HE HIS 14 -13.332 6.516 -18.642 78 HA PRO 15 HA PRO 15 -11.687 0.803 -12.115 79 HB2 PRO 15 1HB PRO 15 -10.608 -1.707 -12.072 80 HB3 PRO 15 2HB PRO 15 -12.272 -1.372 -11.637 81 HG2 PRO 15 1HG PRO 15 -11.214 -2.598 -14.110 82 HG3 PRO 15 2HG PRO 15 -12.847 -2.641 -13.476 83 HD2 PRO 15 1HD PRO 15 -11.888 -1.023 -15.642 84 HD3 PRO 15 2HD PRO 15 -13.490 -0.982 -14.931 85 H VAL 16 H VAL 16 -9.869 -0.327 -14.890 86 HA VAL 16 HA VAL 16 -7.485 0.813 -13.616 87 HB VAL 16 HB VAL 16 -7.670 -1.098 -15.950 88 HG11 VAL 16 1HG1 VAL 16 -5.427 -1.028 -16.070 89 HG12 VAL 16 2HG1 VAL 16 -5.559 0.479 -15.133 90 HG13 VAL 16 3HG1 VAL 16 -5.238 -1.062 -14.301 91 HG21 VAL 16 1HG2 VAL 16 -6.973 -1.830 -13.095 92 HG22 VAL 16 2HG2 VAL 16 -8.614 -1.991 -13.765 93 HG23 VAL 16 3HG2 VAL 16 -7.269 -2.916 -14.474 94 H THR 17 H THR 17 -6.465 2.566 -14.523 95 HA THR 17 HA THR 17 -7.154 3.319 -17.246 96 HB THR 17 HB THR 17 -7.494 5.741 -16.047 97 HG1 THR 17 1HG THR 17 -7.988 5.375 -13.916 98 HG21 THR 17 1HG2 THR 17 -9.798 3.757 -15.902 99 HG22 THR 17 2HG2 THR 17 -9.848 5.485 -16.329 100 HG23 THR 17 3HG2 THR 17 -9.180 4.303 -17.480 101 H TRP 18 H TRP 18 -5.353 3.839 -18.306 102 HA TRP 18 HA TRP 18 -3.073 4.694 -16.659 103 HB2 TRP 18 1HB TRP 18 -3.192 3.152 -19.251 104 HB3 TRP 18 2HB TRP 18 -1.719 3.867 -18.626 105 HD1 TRP 18 HD TRP 18 -4.086 0.921 -18.003 106 HE1 TRP 18 1HE TRP 18 -3.069 -0.795 -16.276 107 HE3 TRP 18 3HE TRP 18 -0.158 3.839 -16.618 108 HZ2 TRP 18 2HZ TRP 18 -0.788 -0.740 -14.562 109 HZ3 TRP 18 3HZ TRP 18 1.417 2.932 -14.912 110 HH2 TRP 18 HH TRP 18 1.151 0.727 -13.893 111 H GLN 19 H GLN 19 -2.914 6.901 -16.747 112 HA GLN 19 HA GLN 19 -3.100 8.074 -19.396 113 HB2 GLN 19 1HB GLN 19 -4.489 9.114 -16.890 114 HB3 GLN 19 2HB GLN 19 -4.283 10.070 -18.345 115 HG2 GLN 19 1HG GLN 19 -5.531 7.316 -18.543 116 HG3 GLN 19 2HG GLN 19 -6.504 8.659 -17.978 117 HE21 GLN 19 1HE2 GLN 19 -7.693 8.041 -19.958 118 HE22 GLN 19 2HE2 GLN 19 -7.264 8.791 -21.459 119 HA PRO 20 HA PRO 20 0.501 10.110 -18.084 120 HB2 PRO 20 1HB PRO 20 0.576 12.258 -19.772 121 HB3 PRO 20 2HB PRO 20 1.082 10.649 -20.245 122 HG2 PRO 20 1HG PRO 20 -1.397 12.094 -20.954 123 HG3 PRO 20 2HG PRO 20 -0.680 10.698 -21.733 124 HD2 PRO 20 1HD PRO 20 -2.946 10.707 -19.975 125 HD3 PRO 20 2HD PRO 20 -2.157 9.300 -20.661 126 H SER 21 H SER 21 1.497 11.934 -16.995 127 HA SER 21 HA SER 21 -0.459 13.057 -15.278 128 HB2 SER 21 1HB SER 21 2.384 12.620 -15.262 129 HB3 SER 21 2HB SER 21 2.117 14.328 -14.977 130 HG SER 21 HG SER 21 0.493 13.607 -13.307 131 H LYS 22 H LYS 22 0.355 15.652 -14.740 132 HA LYS 22 HA LYS 22 -0.908 17.131 -16.678 133 HB2 LYS 22 1HB LYS 22 0.152 17.571 -14.156 134 HB3 LYS 22 2HB LYS 22 1.121 18.620 -15.171 135 HG2 LYS 22 1HG LYS 22 -1.569 18.896 -16.097 136 HG3 LYS 22 2HG LYS 22 -1.656 18.931 -14.347 137 HD2 LYS 22 1HD LYS 22 0.395 20.600 -15.852 138 HD3 LYS 22 2HD LYS 22 -1.238 21.184 -15.601 139 HE2 LYS 22 1HE LYS 22 0.362 20.143 -13.242 140 HE3 LYS 22 2HE LYS 22 0.651 21.766 -13.837 141 HZ1 LYS 22 1HZ LYS 22 -1.471 22.403 -13.304 142 HZ2 LYS 22 2HZ LYS 22 -2.078 20.887 -13.300 143 HZ3 LYS 22 3HZ LYS 22 -1.127 21.389 -12.071 144 H ASP 23 H ASP 23 2.656 16.693 -16.145 145 HA ASP 23 HA ASP 23 3.392 18.253 -18.301 146 HB2 ASP 23 1HB ASP 23 4.799 17.240 -16.342 147 HB3 ASP 23 2HB ASP 23 4.929 15.807 -17.343 148 H GLY 24 H GLY 24 3.495 14.616 -17.958 149 HA2 GLY 24 1HA GLY 24 2.172 13.452 -19.759 150 HA3 GLY 24 2HA GLY 24 3.117 14.408 -20.883 151 H ASP 25 H ASP 25 5.661 14.377 -19.516 152 HA ASP 25 HA ASP 25 6.781 12.162 -20.561 153 HB2 ASP 25 1HB ASP 25 7.749 13.498 -17.996 154 HB3 ASP 25 2HB ASP 25 8.737 12.664 -19.179 155 H ARG 26 H ARG 26 5.117 12.632 -17.445 156 HA ARG 26 HA ARG 26 5.979 10.020 -16.562 157 HB2 ARG 26 1HB ARG 26 4.647 12.398 -15.237 158 HB3 ARG 26 2HB ARG 26 4.477 10.820 -14.495 159 HG2 ARG 26 1HG ARG 26 7.245 11.662 -15.335 160 HG3 ARG 26 2HG ARG 26 6.553 12.457 -13.935 161 HD2 ARG 26 1HD ARG 26 6.405 10.443 -12.690 162 HD3 ARG 26 2HD ARG 26 6.424 9.435 -14.123 163 HE ARG 26 HE ARG 26 8.890 10.712 -14.201 164 HH11 ARG 26 2HH2 ARG 26 7.204 8.761 -11.806 165 HH12 ARG 26 1HH2 ARG 26 8.659 8.135 -11.105 166 HH21 ARG 26 2HH1 ARG 26 10.809 9.887 -13.276 167 HH22 ARG 26 1HH1 ARG 26 10.723 8.780 -11.947 168 H LEU 27 H LEU 27 4.394 8.360 -15.950 169 HA LEU 27 HA LEU 27 1.788 8.790 -17.238 170 HB2 LEU 27 1HB LEU 27 3.762 6.932 -17.867 171 HB3 LEU 27 2HB LEU 27 2.601 6.016 -16.925 172 HG LEU 27 HG LEU 27 1.727 5.690 -18.997 173 HD11 LEU 27 1HD1 LEU 27 -0.310 6.615 -18.922 174 HD12 LEU 27 2HD1 LEU 27 0.280 7.426 -17.451 175 HD13 LEU 27 3HD1 LEU 27 0.327 8.274 -19.015 176 HD21 LEU 27 1HD2 LEU 27 2.726 6.627 -20.739 177 HD22 LEU 27 2HD2 LEU 27 1.802 8.120 -20.447 178 HD23 LEU 27 3HD2 LEU 27 3.405 7.905 -19.704 179 H ILE 28 H ILE 28 0.058 8.757 -15.906 180 HA ILE 28 HA ILE 28 0.508 7.668 -13.223 181 HB ILE 28 HB ILE 28 -1.644 9.583 -14.112 182 HG12 ILE 28 1HG1 ILE 28 0.499 10.627 -14.571 183 HG13 ILE 28 2HG1 ILE 28 -0.262 11.385 -13.186 184 HG21 ILE 28 1HG2 ILE 28 -1.020 8.196 -11.635 185 HG22 ILE 28 2HG2 ILE 28 -1.042 9.963 -11.421 186 HG23 ILE 28 3HG2 ILE 28 -2.463 9.131 -12.095 187 HD11 ILE 28 1HD1 ILE 28 1.135 9.953 -11.661 188 HD12 ILE 28 2HD1 ILE 28 1.950 9.283 -13.094 189 HD13 ILE 28 3HD1 ILE 28 2.113 11.012 -12.705 190 H GLY 29 H GLY 29 -0.088 5.554 -13.167 191 HA2 GLY 29 1HA GLY 29 -2.421 4.717 -14.733 192 HA3 GLY 29 2HA GLY 29 -1.216 3.684 -13.991 193 H ARG 30 H ARG 30 -4.392 4.426 -13.793 194 HA ARG 30 HA ARG 30 -4.400 4.348 -10.887 195 HB2 ARG 30 1HB ARG 30 -5.880 5.925 -12.751 196 HB3 ARG 30 2HB ARG 30 -7.033 4.782 -12.092 197 HG2 ARG 30 1HG ARG 30 -7.063 5.826 -10.069 198 HG3 ARG 30 2HG ARG 30 -5.314 5.860 -9.975 199 HD2 ARG 30 1HD ARG 30 -5.281 7.861 -11.498 200 HD3 ARG 30 2HD ARG 30 -7.032 7.836 -11.554 201 HE ARG 30 HE ARG 30 -6.470 7.887 -8.832 202 HH11 ARG 30 2HH2 ARG 30 -5.577 9.905 -11.573 203 HH12 ARG 30 1HH2 ARG 30 -5.435 11.349 -10.628 204 HH21 ARG 30 2HH1 ARG 30 -6.284 9.792 -7.584 205 HH22 ARG 30 1HH1 ARG 30 -5.840 11.284 -8.343 206 H ILE 31 H ILE 31 -4.703 2.294 -10.083 207 HA ILE 31 HA ILE 31 -6.343 0.470 -11.697 208 HB ILE 31 HB ILE 31 -4.010 -0.003 -9.855 209 HG12 ILE 31 1HG1 ILE 31 -3.615 -1.441 -12.155 210 HG13 ILE 31 2HG1 ILE 31 -4.480 -0.046 -12.769 211 HG21 ILE 31 1HG2 ILE 31 -5.836 -1.609 -9.336 212 HG22 ILE 31 2HG2 ILE 31 -5.810 -2.133 -11.037 213 HG23 ILE 31 3HG2 ILE 31 -4.377 -2.375 -10.009 214 HD11 ILE 31 1HD1 ILE 31 -2.347 0.577 -10.778 215 HD12 ILE 31 2HD1 ILE 31 -1.781 -0.082 -12.332 216 HD13 ILE 31 3HD1 ILE 31 -2.761 1.403 -12.300 217 H LEU 32 H LEU 32 -7.958 -0.793 -10.647 218 HA LEU 32 HA LEU 32 -8.459 -0.146 -7.854 219 HB2 LEU 32 1HB LEU 32 -9.736 1.544 -8.832 220 HB3 LEU 32 2HB LEU 32 -10.267 0.523 -10.154 221 HG LEU 32 HG LEU 32 -11.254 -0.752 -7.867 222 HD11 LEU 32 1HD1 LEU 32 -12.034 2.143 -7.616 223 HD12 LEU 32 2HD1 LEU 32 -12.241 0.808 -6.457 224 HD13 LEU 32 3HD1 LEU 32 -10.624 1.494 -6.746 225 HD21 LEU 32 1HD2 LEU 32 -12.175 0.090 -10.317 226 HD22 LEU 32 2HD2 LEU 32 -13.143 -0.716 -9.060 227 HD23 LEU 32 3HD2 LEU 32 -13.146 1.060 -9.183 228 H LEU 33 H LEU 33 -9.273 -1.875 -6.711 229 HA LEU 33 HA LEU 33 -10.058 -4.197 -8.327 230 HB2 LEU 33 1HB LEU 33 -8.452 -4.298 -5.775 231 HB3 LEU 33 2HB LEU 33 -8.905 -5.646 -6.799 232 HG LEU 33 HG LEU 33 -7.294 -3.474 -8.056 233 HD11 LEU 33 1HD1 LEU 33 -5.687 -5.513 -6.633 234 HD12 LEU 33 2HD1 LEU 33 -5.355 -3.793 -6.952 235 HD13 LEU 33 3HD1 LEU 33 -6.437 -4.258 -5.617 236 HD21 LEU 33 1HD2 LEU 33 -8.203 -5.720 -9.072 237 HD22 LEU 33 2HD2 LEU 33 -6.582 -5.116 -9.494 238 HD23 LEU 33 3HD2 LEU 33 -6.763 -6.412 -8.288 239 H ASN 34 H ASN 34 -11.808 -5.416 -7.553 240 HA ASN 34 HA ASN 34 -13.038 -4.324 -5.150 241 HB2 ASN 34 1HB ASN 34 -14.190 -3.534 -7.284 242 HB3 ASN 34 2HB ASN 34 -14.523 -5.208 -7.680 243 HD21 ASN 34 1HD2 ASN 34 -16.483 -5.819 -7.230 244 HD22 ASN 34 2HD2 ASN 34 -17.474 -5.305 -5.905 245 H LYS 35 H LYS 35 -14.059 -5.946 -3.816 246 HA LYS 35 HA LYS 35 -13.629 -8.697 -4.750 247 HB2 LYS 35 1HB LYS 35 -13.809 -7.868 -1.856 248 HB3 LYS 35 2HB LYS 35 -13.153 -9.343 -2.536 249 HG2 LYS 35 1HG LYS 35 -11.103 -8.382 -2.591 250 HG3 LYS 35 2HG LYS 35 -11.695 -7.220 -3.761 251 HD2 LYS 35 1HD LYS 35 -11.693 -5.544 -2.226 252 HD3 LYS 35 2HD LYS 35 -12.617 -6.499 -1.084 253 HE2 LYS 35 1HE LYS 35 -10.697 -6.450 0.167 254 HE3 LYS 35 2HE LYS 35 -10.181 -7.751 -0.887 255 HZ1 LYS 35 1HZ LYS 35 -8.504 -6.325 -1.227 256 HZ2 LYS 35 2HZ LYS 35 -9.503 -5.690 -2.352 257 HZ3 LYS 35 3HZ LYS 35 -9.374 -4.986 -0.884 258 H ARG 36 H ARG 36 -15.868 -6.322 -3.321 259 HA ARG 36 HA ARG 36 -17.836 -7.758 -2.354 260 HB2 ARG 36 1HB ARG 36 -17.702 -5.255 -3.957 261 HB3 ARG 36 2HB ARG 36 -19.284 -6.009 -3.976 262 HG2 ARG 36 1HG ARG 36 -19.429 -5.970 -1.547 263 HG3 ARG 36 2HG ARG 36 -17.744 -5.514 -1.391 264 HD2 ARG 36 1HD ARG 36 -18.366 -3.331 -1.431 265 HD3 ARG 36 2HD ARG 36 -18.900 -3.539 -3.088 266 HE ARG 36 HE ARG 36 -20.602 -3.523 -0.682 267 HH11 ARG 36 2HH2 ARG 36 -20.378 -4.318 -4.103 268 HH12 ARG 36 1HH2 ARG 36 -22.092 -4.294 -4.351 269 HH21 ARG 36 2HH1 ARG 36 -22.863 -3.491 -1.010 270 HH22 ARG 36 1HH1 ARG 36 -23.515 -3.820 -2.580 271 H LEU 37 H LEU 37 -18.807 -9.643 -3.034 272 HA LEU 37 HA LEU 37 -18.674 -10.508 -5.704 273 HB2 LEU 37 1HB LEU 37 -20.416 -11.484 -3.437 274 HB3 LEU 37 2HB LEU 37 -20.097 -12.339 -4.934 275 HG LEU 37 HG LEU 37 -17.761 -11.541 -3.241 276 HD11 LEU 37 1HD1 LEU 37 -19.721 -12.638 -1.857 277 HD12 LEU 37 2HD1 LEU 37 -19.112 -14.132 -2.608 278 HD13 LEU 37 3HD1 LEU 37 -18.028 -13.129 -1.615 279 HD21 LEU 37 1HD2 LEU 37 -18.256 -13.206 -5.520 280 HD22 LEU 37 2HD2 LEU 37 -16.709 -12.777 -4.750 281 HD23 LEU 37 3HD2 LEU 37 -17.615 -14.204 -4.193 282 H LYS 38 H LYS 38 -21.073 -11.443 -6.540 283 HA LYS 38 HA LYS 38 -22.250 -9.249 -7.704 284 HB2 LYS 38 1HB LYS 38 -22.428 -11.972 -7.961 285 HB3 LYS 38 2HB LYS 38 -24.009 -11.588 -7.313 286 HG2 LYS 38 1HG LYS 38 -24.655 -10.864 -9.359 287 HG3 LYS 38 2HG LYS 38 -23.467 -9.579 -9.265 288 HD2 LYS 38 1HD LYS 38 -22.946 -10.795 -11.268 289 HD3 LYS 38 2HD LYS 38 -21.721 -11.256 -10.104 290 HE2 LYS 38 1HE LYS 38 -22.297 -13.395 -10.707 291 HE3 LYS 38 2HE LYS 38 -23.604 -13.169 -9.562 292 HZ1 LYS 38 1HZ LYS 38 -25.041 -13.250 -11.210 293 HZ2 LYS 38 2HZ LYS 38 -24.291 -12.067 -12.049 294 HZ3 LYS 38 3HZ LYS 38 -23.834 -13.623 -12.245 295 H ASP 39 H ASP 39 -22.877 -10.810 -4.560 296 HA ASP 39 HA ASP 39 -25.309 -9.453 -4.153 297 HB2 ASP 39 1HB ASP 39 -23.356 -10.934 -2.355 298 HB3 ASP 39 2HB ASP 39 -24.745 -10.113 -1.672 299 H GLY 40 H GLY 40 -21.834 -8.939 -3.375 300 HA2 GLY 40 1HA GLY 40 -20.809 -6.906 -3.046 301 HA3 GLY 40 2HA GLY 40 -22.364 -6.136 -2.801 302 H SER 41 H SER 41 -20.757 -8.994 -1.224 303 HA SER 41 HA SER 41 -20.955 -7.511 1.273 304 HB2 SER 41 1HB SER 41 -21.953 -10.286 0.628 305 HB3 SER 41 2HB SER 41 -21.350 -9.969 2.243 306 HG SER 41 HG SER 41 -23.712 -9.607 1.885 307 H VAL 42 H VAL 42 -18.901 -8.615 -0.970 308 HA VAL 42 HA VAL 42 -16.786 -9.247 -1.016 309 HB VAL 42 HB VAL 42 -17.050 -8.182 1.769 310 HG11 VAL 42 1HG1 VAL 42 -15.340 -9.447 2.485 311 HG12 VAL 42 2HG1 VAL 42 -14.946 -10.003 0.841 312 HG13 VAL 42 3HG1 VAL 42 -14.318 -8.444 1.428 313 HG21 VAL 42 1HG2 VAL 42 -16.922 -6.475 0.162 314 HG22 VAL 42 2HG2 VAL 42 -15.258 -6.612 0.780 315 HG23 VAL 42 3HG2 VAL 42 -15.687 -7.334 -0.790 316 HA PRO 43 HA PRO 43 -17.045 -13.422 0.141 317 HB2 PRO 43 1HB PRO 43 -14.787 -14.332 -1.101 318 HB3 PRO 43 2HB PRO 43 -16.315 -14.110 -1.931 319 HG2 PRO 43 1HG PRO 43 -13.882 -12.435 -2.049 320 HG3 PRO 43 2HG PRO 43 -15.235 -12.484 -3.161 321 HD2 PRO 43 1HD PRO 43 -14.718 -10.480 -1.176 322 HD3 PRO 43 2HD PRO 43 -16.129 -10.592 -2.208 323 H ARG 44 H ARG 44 -15.153 -15.246 0.766 324 HA ARG 44 HA ARG 44 -14.762 -14.924 3.336 325 HB2 ARG 44 1HB ARG 44 -12.919 -16.183 1.264 326 HB3 ARG 44 2HB ARG 44 -12.538 -16.282 2.972 327 HG2 ARG 44 1HG ARG 44 -15.033 -17.140 3.216 328 HG3 ARG 44 2HG ARG 44 -14.912 -17.459 1.497 329 HD2 ARG 44 1HD ARG 44 -12.612 -18.423 3.163 330 HD3 ARG 44 2HD ARG 44 -14.137 -19.248 3.419 331 HE ARG 44 HE ARG 44 -12.436 -19.537 1.127 332 HH11 ARG 44 2HH2 ARG 44 -15.846 -19.284 1.960 333 HH12 ARG 44 1HH2 ARG 44 -16.381 -20.183 0.579 334 HH21 ARG 44 2HH1 ARG 44 -13.142 -20.722 -0.695 335 HH22 ARG 44 1HH1 ARG 44 -14.832 -21.006 -0.941 336 H ASP 45 H ASP 45 -12.710 -13.517 0.733 337 HA ASP 45 HA ASP 45 -11.944 -11.385 2.318 338 HB2 ASP 45 1HB ASP 45 -9.359 -12.133 2.113 339 HB3 ASP 45 2HB ASP 45 -10.318 -12.472 3.540 340 H SER 46 H SER 46 -10.811 -13.717 -0.232 341 HA SER 46 HA SER 46 -10.433 -13.448 -2.363 342 HB2 SER 46 1HB SER 46 -12.206 -11.364 -1.909 343 HB3 SER 46 2HB SER 46 -10.832 -10.516 -2.590 344 HG SER 46 HG SER 46 -12.692 -11.842 -3.936 345 H GLY 47 H GLY 47 -8.333 -13.379 -0.522 346 HA2 GLY 47 1HA GLY 47 -6.127 -12.943 -0.449 347 HA3 GLY 47 2HA GLY 47 -6.256 -12.196 -2.029 348 H ALA 48 H ALA 48 -6.067 -11.670 1.430 349 HA ALA 48 HA ALA 48 -7.011 -9.112 1.703 350 HB1 ALA 48 1HB ALA 48 -4.835 -9.143 3.363 351 HB2 ALA 48 2HB ALA 48 -6.390 -9.925 3.735 352 HB3 ALA 48 3HB ALA 48 -5.052 -10.883 3.055 353 H MET 49 H MET 49 -3.905 -10.289 0.336 354 HA MET 49 HA MET 49 -3.002 -7.583 0.011 355 HB2 MET 49 1HB MET 49 -1.901 -10.364 -0.281 356 HB3 MET 49 2HB MET 49 -1.206 -9.177 -1.368 357 HG2 MET 49 1HG MET 49 -1.210 -7.786 1.038 358 HG3 MET 49 2HG MET 49 -0.925 -9.426 1.584 359 HE1 MET 49 1HE MET 49 2.416 -7.207 1.241 360 HE2 MET 49 2HE MET 49 1.116 -6.297 0.435 361 HE3 MET 49 3HE MET 49 0.805 -7.102 1.991 362 H LEU 50 H LEU 50 -5.460 -8.807 -1.433 363 HA LEU 50 HA LEU 50 -6.438 -8.525 -3.394 364 HB2 LEU 50 1HB LEU 50 -3.957 -6.943 -4.073 365 HB3 LEU 50 2HB LEU 50 -5.367 -7.060 -5.108 366 HG LEU 50 HG LEU 50 -5.110 -4.985 -3.622 367 HD11 LEU 50 1HD1 LEU 50 -7.215 -5.954 -4.843 368 HD12 LEU 50 2HD1 LEU 50 -7.777 -6.282 -3.186 369 HD13 LEU 50 3HD1 LEU 50 -7.380 -4.618 -3.678 370 HD21 LEU 50 1HD2 LEU 50 -6.191 -6.855 -1.499 371 HD22 LEU 50 2HD2 LEU 50 -4.519 -6.249 -1.562 372 HD23 LEU 50 3HD2 LEU 50 -5.871 -5.111 -1.345 373 H GLY 51 H GLY 51 -2.903 -9.032 -4.093 374 HA2 GLY 51 1HA GLY 51 -3.109 -11.699 -4.820 375 HA3 GLY 51 2HA GLY 51 -3.409 -10.772 -6.277 376 H LEU 52 H LEU 52 -1.704 -8.457 -5.431 377 HA LEU 52 HA LEU 52 0.852 -9.709 -6.073 378 HB2 LEU 52 1HB LEU 52 1.424 -7.806 -7.158 379 HB3 LEU 52 2HB LEU 52 -0.313 -7.784 -7.384 380 HG LEU 52 HG LEU 52 -0.179 -6.333 -5.122 381 HD11 LEU 52 1HD1 LEU 52 1.896 -5.774 -4.561 382 HD12 LEU 52 2HD1 LEU 52 2.559 -6.474 -6.058 383 HD13 LEU 52 3HD1 LEU 52 1.965 -4.796 -6.047 384 HD21 LEU 52 1HD2 LEU 52 -1.027 -5.862 -7.580 385 HD22 LEU 52 2HD2 LEU 52 -0.796 -4.545 -6.405 386 HD23 LEU 52 3HD2 LEU 52 0.441 -4.858 -7.646 387 H LYS 53 H LYS 53 2.818 -8.415 -5.065 388 HA LYS 53 HA LYS 53 2.192 -8.042 -2.218 389 HB2 LYS 53 1HB LYS 53 3.520 -10.164 -3.070 390 HB3 LYS 53 2HB LYS 53 4.867 -9.045 -3.132 391 HG2 LYS 53 1HG LYS 53 4.219 -8.365 -0.712 392 HG3 LYS 53 2HG LYS 53 3.168 -9.767 -0.708 393 HD2 LYS 53 1HD LYS 53 4.913 -11.218 -0.462 394 HD3 LYS 53 2HD LYS 53 5.861 -10.426 -1.705 395 HE2 LYS 53 1HE LYS 53 6.993 -9.102 -0.196 396 HE3 LYS 53 2HE LYS 53 5.576 -8.842 0.802 397 HZ1 LYS 53 1HZ LYS 53 7.477 -10.314 1.646 398 HZ2 LYS 53 2HZ LYS 53 5.937 -10.777 1.930 399 HZ3 LYS 53 3HZ LYS 53 6.795 -11.485 0.735 400 H VAL 54 H VAL 54 2.705 -6.083 -1.386 401 HA VAL 54 HA VAL 54 4.413 -4.382 -3.063 402 HB VAL 54 HB VAL 54 2.273 -3.638 -1.058 403 HG11 VAL 54 1HG1 VAL 54 2.666 -1.407 -2.543 404 HG12 VAL 54 2HG1 VAL 54 3.495 -1.729 -1.001 405 HG13 VAL 54 3HG1 VAL 54 4.315 -2.076 -2.542 406 HG21 VAL 54 1HG2 VAL 54 2.247 -3.626 -4.094 407 HG22 VAL 54 2HG2 VAL 54 1.265 -4.646 -3.017 408 HG23 VAL 54 3HG2 VAL 54 0.999 -2.887 -3.062 409 H VAL 55 H VAL 55 6.077 -3.141 -2.061 410 HA VAL 55 HA VAL 55 6.618 -3.874 0.726 411 HB VAL 55 HB VAL 55 8.374 -4.149 -1.690 412 HG11 VAL 55 1HG1 VAL 55 10.315 -4.394 -0.069 413 HG12 VAL 55 2HG1 VAL 55 9.731 -2.735 -0.343 414 HG13 VAL 55 3HG1 VAL 55 9.285 -3.601 1.147 415 HG21 VAL 55 1HG2 VAL 55 8.826 -6.321 -0.839 416 HG22 VAL 55 2HG2 VAL 55 8.146 -5.921 0.757 417 HG23 VAL 55 3HG2 VAL 55 7.073 -6.075 -0.655 418 H GLY 56 H GLY 56 6.507 -2.021 1.878 419 HA2 GLY 56 1HA GLY 56 7.169 0.501 0.528 420 HA3 GLY 56 2HA GLY 56 6.264 0.303 2.016 421 H GLY 57 H GLY 57 7.927 2.105 2.595 422 HA2 GLY 57 1HA GLY 57 9.657 2.714 3.895 423 HA3 GLY 57 2HA GLY 57 9.807 1.041 4.393 424 H LYS 58 H LYS 58 9.924 1.377 0.956 425 HA LYS 58 HA LYS 58 12.639 0.548 0.911 426 HB2 LYS 58 1HB LYS 58 11.003 -0.282 -0.698 427 HB3 LYS 58 2HB LYS 58 10.726 1.338 -1.305 428 HG2 LYS 58 1HG LYS 58 12.472 1.114 -2.730 429 HG3 LYS 58 2HG LYS 58 13.563 0.910 -1.374 430 HD2 LYS 58 1HD LYS 58 13.913 -1.188 -2.203 431 HD3 LYS 58 2HD LYS 58 12.371 -1.585 -1.472 432 HE2 LYS 58 1HE LYS 58 11.512 -2.017 -3.524 433 HE3 LYS 58 2HE LYS 58 11.772 -0.346 -3.984 434 HZ1 LYS 58 1HZ LYS 58 14.230 -1.482 -4.116 435 HZ2 LYS 58 2HZ LYS 58 13.246 -2.636 -4.722 436 HZ3 LYS 58 3HZ LYS 58 13.258 -1.143 -5.384 437 H MET 59 H MET 59 14.421 1.794 1.032 438 HA MET 59 HA MET 59 14.061 4.632 0.849 439 HB2 MET 59 1HB MET 59 15.567 3.114 2.492 440 HB3 MET 59 2HB MET 59 16.745 3.251 1.202 441 HG2 MET 59 1HG MET 59 17.340 5.188 2.288 442 HG3 MET 59 2HG MET 59 15.993 5.877 1.405 443 HE1 MET 59 1HE MET 59 15.536 7.701 2.849 444 HE2 MET 59 2HE MET 59 13.914 6.995 2.656 445 HE3 MET 59 3HE MET 59 14.449 7.572 4.253 446 H THR 60 H THR 60 14.099 5.601 -1.136 447 HA THR 60 HA THR 60 15.417 4.341 -3.348 448 HB THR 60 HB THR 60 14.550 6.443 -4.505 449 HG1 THR 60 1HG THR 60 14.809 7.616 -2.339 450 HG21 THR 60 1HG2 THR 60 12.308 5.522 -2.702 451 HG22 THR 60 2HG2 THR 60 12.302 5.778 -4.463 452 HG23 THR 60 3HG2 THR 60 13.054 4.317 -3.778 453 H GLU 61 H GLU 61 16.490 6.520 -4.752 454 HA GLU 61 HA GLU 61 18.960 6.733 -3.288 455 HB2 GLU 61 1HB GLU 61 19.739 7.745 -5.545 456 HB3 GLU 61 2HB GLU 61 19.321 6.043 -5.519 457 HG2 GLU 61 1HG GLU 61 17.395 6.343 -6.778 458 HG3 GLU 61 2HG GLU 61 17.066 7.927 -6.104 459 H SER 62 H SER 62 16.096 8.533 -3.732 460 HA SER 62 HA SER 62 17.457 11.072 -3.580 461 HB2 SER 62 1HB SER 62 15.203 10.367 -4.901 462 HB3 SER 62 2HB SER 62 14.468 10.856 -3.387 463 HG SER 62 HG SER 62 15.153 12.465 -5.346 464 H GLY 63 H GLY 63 16.493 8.610 -1.486 465 HA2 GLY 63 1HA GLY 63 16.701 8.643 0.803 466 HA3 GLY 63 2HA GLY 63 16.629 10.394 0.807 467 H ARG 64 H ARG 64 14.188 9.153 -1.245 468 HA ARG 64 HA ARG 64 12.257 9.699 0.828 469 HB2 ARG 64 1HB ARG 64 12.355 9.938 -2.120 470 HB3 ARG 64 2HB ARG 64 10.853 9.230 -1.563 471 HG2 ARG 64 1HG ARG 64 10.704 11.174 0.126 472 HG3 ARG 64 2HG ARG 64 12.043 11.912 -0.731 473 HD2 ARG 64 1HD ARG 64 10.646 11.701 -2.881 474 HD3 ARG 64 2HD ARG 64 9.296 11.222 -1.872 475 HE ARG 64 HE ARG 64 10.312 13.910 -2.207 476 HH11 ARG 64 2HH2 ARG 64 8.837 11.772 0.167 477 HH12 ARG 64 1HH2 ARG 64 8.137 13.064 1.085 478 HH21 ARG 64 2HH1 ARG 64 9.389 15.615 -0.997 479 HH22 ARG 64 1HH1 ARG 64 8.453 15.264 0.418 480 H LEU 65 H LEU 65 10.273 8.250 0.969 481 HA LEU 65 HA LEU 65 11.052 5.472 0.419 482 HB2 LEU 65 1HB LEU 65 9.267 6.580 2.591 483 HB3 LEU 65 2HB LEU 65 9.602 4.883 2.313 484 HG LEU 65 HG LEU 65 11.788 6.880 2.925 485 HD11 LEU 65 1HD1 LEU 65 10.889 5.106 5.107 486 HD12 LEU 65 2HD1 LEU 65 11.432 6.801 5.142 487 HD13 LEU 65 3HD1 LEU 65 9.761 6.412 4.670 488 HD21 LEU 65 1HD2 LEU 65 11.736 4.092 2.237 489 HD22 LEU 65 2HD2 LEU 65 13.129 5.160 2.531 490 HD23 LEU 65 3HD2 LEU 65 12.373 4.289 3.887 491 H CYS 66 H CYS 66 9.549 4.068 -0.552 492 HA CYS 66 HA CYS 66 6.908 4.982 -1.092 493 HB2 CYS 66 1HB CYS 66 8.726 5.957 -2.892 494 HB3 CYS 66 2HB CYS 66 8.275 4.449 -3.662 495 HG CYS 66 HG CYS 66 6.661 5.982 -4.761 496 H ALA 67 H ALA 67 5.620 3.196 -2.025 497 HA ALA 67 HA ALA 67 6.885 0.630 -1.481 498 HB1 ALA 67 1HB ALA 67 4.009 0.783 -2.206 499 HB2 ALA 67 2HB ALA 67 4.807 -0.059 -0.856 500 HB3 ALA 67 3HB ALA 67 4.475 1.686 -0.744 501 H PHE 68 H PHE 68 7.302 -0.899 -3.046 502 HA PHE 68 HA PHE 68 6.414 -0.211 -5.758 503 HB2 PHE 68 1HB PHE 68 9.033 -1.506 -4.791 504 HB3 PHE 68 2HB PHE 68 8.653 -1.147 -6.464 505 HD1 PHE 68 1HD PHE 68 8.546 1.216 -7.226 506 HD2 PHE 68 2HD PHE 68 9.846 0.190 -3.319 507 HE1 PHE 68 1HE PHE 68 9.584 3.488 -6.974 508 HE2 PHE 68 2HE PHE 68 10.884 2.461 -3.067 509 HZ PHE 68 HZ PHE 68 10.740 4.083 -4.898 510 H ILE 69 H ILE 69 5.894 -1.982 -7.151 511 HA ILE 69 HA ILE 69 4.850 -4.225 -5.773 512 HB ILE 69 HB ILE 69 5.173 -3.665 -8.723 513 HG12 ILE 69 1HG1 ILE 69 2.826 -3.201 -6.859 514 HG13 ILE 69 2HG1 ILE 69 3.849 -1.959 -7.553 515 HG21 ILE 69 1HG2 ILE 69 4.078 -5.563 -9.222 516 HG22 ILE 69 2HG2 ILE 69 4.685 -6.106 -7.639 517 HG23 ILE 69 3HG2 ILE 69 3.030 -5.467 -7.786 518 HD11 ILE 69 1HD1 ILE 69 1.515 -3.007 -8.698 519 HD12 ILE 69 2HD1 ILE 69 2.730 -2.006 -9.529 520 HD13 ILE 69 3HD1 ILE 69 2.826 -3.781 -9.620 521 H THR 70 H THR 70 5.689 -6.244 -5.434 522 HA THR 70 HA THR 70 8.435 -6.643 -6.404 523 HB THR 70 HB THR 70 8.700 -8.035 -4.420 524 HG1 THR 70 1HG THR 70 5.865 -7.483 -3.961 525 HG21 THR 70 1HG2 THR 70 7.733 -6.550 -2.552 526 HG22 THR 70 2HG2 THR 70 8.785 -5.707 -3.715 527 HG23 THR 70 3HG2 THR 70 7.016 -5.549 -3.837 528 H LYS 71 H LYS 71 5.259 -8.314 -5.968 529 HA LYS 71 HA LYS 71 5.834 -9.798 -8.382 530 HB2 LYS 71 1HB LYS 71 6.833 -11.121 -6.483 531 HB3 LYS 71 2HB LYS 71 5.223 -11.283 -5.813 532 HG2 LYS 71 1HG LYS 71 4.522 -12.748 -7.464 533 HG3 LYS 71 2HG LYS 71 5.484 -11.980 -8.711 534 HD2 LYS 71 1HD LYS 71 7.363 -13.053 -6.858 535 HD3 LYS 71 2HD LYS 71 6.138 -14.291 -7.048 536 HE2 LYS 71 1HE LYS 71 6.495 -14.468 -9.400 537 HE3 LYS 71 2HE LYS 71 7.281 -12.904 -9.495 538 HZ1 LYS 71 1HZ LYS 71 9.216 -13.782 -8.880 539 HZ2 LYS 71 2HZ LYS 71 8.571 -14.776 -7.755 540 HZ3 LYS 71 3HZ LYS 71 8.570 -15.214 -9.328 541 H VAL 72 H VAL 72 3.889 -10.771 -9.301 542 HA VAL 72 HA VAL 72 1.430 -9.794 -8.038 543 HB VAL 72 HB VAL 72 2.010 -9.671 -10.999 544 HG11 VAL 72 1HG1 VAL 72 -0.153 -9.179 -11.215 545 HG12 VAL 72 2HG1 VAL 72 -0.377 -9.458 -9.471 546 HG13 VAL 72 3HG1 VAL 72 0.014 -7.827 -10.070 547 HG21 VAL 72 1HG2 VAL 72 3.493 -8.059 -10.263 548 HG22 VAL 72 2HG2 VAL 72 2.003 -7.100 -10.429 549 HG23 VAL 72 3HG2 VAL 72 2.524 -7.665 -8.824 550 H LYS 73 H LYS 73 0.411 -11.635 -7.411 551 HA LYS 73 HA LYS 73 0.893 -14.140 -8.463 552 HB2 LYS 73 1HB LYS 73 -0.208 -13.499 -6.263 553 HB3 LYS 73 2HB LYS 73 -1.690 -13.246 -7.163 554 HG2 LYS 73 1HG LYS 73 -1.771 -15.511 -6.337 555 HG3 LYS 73 2HG LYS 73 -1.471 -15.621 -8.060 556 HD2 LYS 73 1HD LYS 73 0.943 -15.959 -7.666 557 HD3 LYS 73 2HD LYS 73 0.731 -15.708 -5.945 558 HE2 LYS 73 1HE LYS 73 -1.139 -17.743 -6.682 559 HE3 LYS 73 2HE LYS 73 0.362 -18.149 -7.489 560 HZ1 LYS 73 1HZ LYS 73 1.286 -17.519 -5.125 561 HZ2 LYS 73 2HZ LYS 73 -0.204 -18.006 -4.666 562 HZ3 LYS 73 3HZ LYS 73 0.774 -19.028 -5.482 563 H LYS 74 H LYS 74 0.902 -14.245 -10.717 564 HA LYS 74 HA LYS 74 -0.990 -13.088 -12.367 565 HB2 LYS 74 1HB LYS 74 1.295 -14.164 -12.899 566 HB3 LYS 74 2HB LYS 74 0.424 -15.682 -12.987 567 HG2 LYS 74 1HG LYS 74 -1.058 -13.676 -14.470 568 HG3 LYS 74 2HG LYS 74 0.614 -13.638 -14.994 569 HD2 LYS 74 1HD LYS 74 0.086 -16.381 -14.826 570 HD3 LYS 74 2HD LYS 74 -1.436 -15.732 -15.403 571 HE2 LYS 74 1HE LYS 74 0.076 -14.370 -17.098 572 HE3 LYS 74 2HE LYS 74 1.300 -15.559 -16.701 573 HZ1 LYS 74 1HZ LYS 74 -0.364 -17.268 -17.274 574 HZ2 LYS 74 2HZ LYS 74 -1.364 -16.093 -17.809 575 HZ3 LYS 74 3HZ LYS 74 0.076 -16.335 -18.540 576 H GLY 75 H GLY 75 -3.158 -13.308 -12.142 577 HA2 GLY 75 1HA GLY 75 -4.944 -14.827 -12.812 578 HA3 GLY 75 2HA GLY 75 -4.186 -16.066 -11.831 579 H SER 76 H SER 76 -3.986 -12.822 -10.541 580 HA SER 76 HA SER 76 -6.165 -13.508 -8.726 581 HB2 SER 76 1HB SER 76 -3.659 -13.361 -7.902 582 HB3 SER 76 2HB SER 76 -3.907 -11.629 -7.988 583 HG SER 76 HG SER 76 -4.406 -12.821 -5.879 584 H LEU 77 H LEU 77 -6.644 -11.131 -7.449 585 HA LEU 77 HA LEU 77 -8.118 -9.690 -9.283 586 HB2 LEU 77 1HB LEU 77 -7.252 -9.362 -6.470 587 HB3 LEU 77 2HB LEU 77 -7.781 -7.906 -7.290 588 HG LEU 77 HG LEU 77 -9.471 -10.407 -7.288 589 HD11 LEU 77 1HD1 LEU 77 -10.057 -10.185 -5.158 590 HD12 LEU 77 2HD1 LEU 77 -8.725 -9.020 -4.969 591 HD13 LEU 77 3HD1 LEU 77 -10.363 -8.443 -5.362 592 HD21 LEU 77 1HD2 LEU 77 -10.521 -7.604 -7.342 593 HD22 LEU 77 2HD2 LEU 77 -9.800 -8.292 -8.817 594 HD23 LEU 77 3HD2 LEU 77 -11.191 -9.094 -8.049 595 H ALA 78 H ALA 78 -5.158 -8.460 -7.566 596 HA ALA 78 HA ALA 78 -4.803 -6.415 -9.496 597 HB1 ALA 78 1HB ALA 78 -3.311 -5.629 -7.977 598 HB2 ALA 78 2HB ALA 78 -3.988 -6.885 -6.912 599 HB3 ALA 78 3HB ALA 78 -2.492 -7.202 -7.823 600 H ASP 79 H ASP 79 -5.081 -8.404 -11.193 601 HA ASP 79 HA ASP 79 -2.495 -8.602 -12.335 602 HB2 ASP 79 1HB ASP 79 -3.974 -11.134 -11.475 603 HB3 ASP 79 2HB ASP 79 -2.604 -11.125 -12.568 604 H THR 80 H THR 80 -5.663 -10.426 -12.347 605 HA THR 80 HA THR 80 -5.830 -10.136 -15.227 606 HB THR 80 HB THR 80 -7.537 -11.812 -15.023 607 HG1 THR 80 1HG THR 80 -7.519 -11.011 -12.198 608 HG21 THR 80 1HG2 THR 80 -5.148 -12.430 -13.958 609 HG22 THR 80 2HG2 THR 80 -6.087 -12.452 -12.445 610 HG23 THR 80 3HG2 THR 80 -6.529 -13.539 -13.783 611 H VAL 81 H VAL 81 -6.977 -8.524 -12.342 612 HA VAL 81 HA VAL 81 -8.960 -7.107 -13.976 613 HB VAL 81 HB VAL 81 -8.669 -7.604 -11.019 614 HG11 VAL 81 1HG1 VAL 81 -10.829 -6.166 -10.900 615 HG12 VAL 81 2HG1 VAL 81 -9.252 -5.343 -10.969 616 HG13 VAL 81 3HG1 VAL 81 -10.257 -5.465 -12.433 617 HG21 VAL 81 1HG2 VAL 81 -11.282 -7.936 -12.328 618 HG22 VAL 81 2HG2 VAL 81 -10.008 -8.992 -12.985 619 HG23 VAL 81 3HG2 VAL 81 -10.390 -9.033 -11.247 620 H GLY 82 H GLY 82 -6.111 -6.781 -11.812 621 HA2 GLY 82 1HA GLY 82 -6.087 -3.899 -12.047 622 HA3 GLY 82 2HA GLY 82 -4.925 -4.921 -11.225 623 H HIS 83 H HIS 83 -4.105 -6.708 -13.227 624 HA HIS 83 HA HIS 83 -2.899 -6.928 -15.061 625 HB2 HIS 83 1HB HIS 83 -3.595 -4.103 -15.885 626 HB3 HIS 83 2HB HIS 83 -3.019 -5.405 -16.906 627 HD1 HIS 83 1HD HIS 83 -4.785 -7.613 -16.899 628 HD2 HIS 83 2HD HIS 83 -6.306 -3.816 -15.967 629 HE1 HIS 83 1HE HIS 83 -7.308 -7.746 -17.257 630 H LEU 84 H LEU 84 -2.219 -5.389 -12.401 631 HA LEU 84 HA LEU 84 -0.120 -3.636 -13.041 632 HB2 LEU 84 1HB LEU 84 -0.548 -5.226 -10.510 633 HB3 LEU 84 2HB LEU 84 0.441 -3.791 -10.694 634 HG LEU 84 HG LEU 84 -2.392 -3.454 -11.479 635 HD11 LEU 84 1HD1 LEU 84 -1.843 -4.836 -9.066 636 HD12 LEU 84 2HD1 LEU 84 -2.320 -3.178 -8.629 637 HD13 LEU 84 3HD1 LEU 84 -3.394 -4.176 -9.639 638 HD21 LEU 84 1HD2 LEU 84 -2.123 -1.339 -10.270 639 HD22 LEU 84 2HD2 LEU 84 -0.508 -1.853 -9.725 640 HD23 LEU 84 3HD2 LEU 84 -0.820 -1.589 -11.457 641 H ARG 85 H ARG 85 2.207 -4.225 -12.003 642 HA ARG 85 HA ARG 85 2.915 -6.928 -12.591 643 HB2 ARG 85 1HB ARG 85 3.668 -4.607 -14.371 644 HB3 ARG 85 2HB ARG 85 4.879 -5.845 -14.101 645 HG2 ARG 85 1HG ARG 85 3.848 -7.224 -15.573 646 HG3 ARG 85 2HG ARG 85 2.373 -7.175 -14.628 647 HD2 ARG 85 1HD ARG 85 1.473 -6.148 -16.468 648 HD3 ARG 85 2HD ARG 85 2.260 -4.708 -15.854 649 HE ARG 85 HE ARG 85 3.238 -6.431 -18.071 650 HH11 ARG 85 2HH2 ARG 85 3.728 -3.615 -16.020 651 HH12 ARG 85 1HH2 ARG 85 4.921 -2.907 -17.058 652 HH21 ARG 85 2HH1 ARG 85 4.811 -5.498 -19.441 653 HH22 ARG 85 1HH1 ARG 85 5.541 -3.986 -19.017 654 HA PRO 86 HA PRO 86 5.973 -5.905 -9.656 655 HB2 PRO 86 1HB PRO 86 7.930 -7.747 -10.147 656 HB3 PRO 86 2HB PRO 86 6.469 -8.117 -9.253 657 HG2 PRO 86 1HG PRO 86 7.182 -8.854 -12.026 658 HG3 PRO 86 2HG PRO 86 5.955 -9.550 -10.986 659 HD2 PRO 86 1HD PRO 86 5.530 -7.729 -13.161 660 HD3 PRO 86 2HD PRO 86 4.318 -8.334 -12.049 661 H GLY 87 H GLY 87 6.804 -3.904 -9.758 662 HA2 GLY 87 1HA GLY 87 9.258 -3.230 -10.259 663 HA3 GLY 87 2HA GLY 87 8.739 -3.442 -11.919 664 H ASP 88 H ASP 88 5.876 -2.588 -10.758 665 HA ASP 88 HA ASP 88 6.212 0.107 -11.550 666 HB2 ASP 88 1HB ASP 88 4.025 -1.778 -11.054 667 HB3 ASP 88 2HB ASP 88 3.655 -0.217 -10.348 668 H GLU 89 H GLU 89 5.210 1.933 -10.100 669 HA GLU 89 HA GLU 89 5.937 1.378 -7.329 670 HB2 GLU 89 1HB GLU 89 7.484 2.958 -8.456 671 HB3 GLU 89 2HB GLU 89 6.139 3.999 -8.877 672 HG2 GLU 89 1HG GLU 89 5.649 4.405 -6.489 673 HG3 GLU 89 2HG GLU 89 6.888 3.262 -6.008 674 H VAL 90 H VAL 90 4.152 1.238 -6.045 675 HA VAL 90 HA VAL 90 1.674 2.376 -6.919 676 HB VAL 90 HB VAL 90 2.378 1.067 -4.288 677 HG11 VAL 90 1HG1 VAL 90 0.080 2.369 -4.973 678 HG12 VAL 90 2HG1 VAL 90 -0.298 0.710 -5.494 679 HG13 VAL 90 3HG1 VAL 90 0.172 1.028 -3.807 680 HG21 VAL 90 1HG2 VAL 90 3.030 -0.332 -6.256 681 HG22 VAL 90 2HG2 VAL 90 1.753 -1.056 -5.249 682 HG23 VAL 90 3HG2 VAL 90 1.335 -0.285 -6.798 683 H LEU 91 H LEU 91 1.672 4.607 -6.925 684 HA LEU 91 HA LEU 91 2.997 6.144 -4.989 685 HB2 LEU 91 1HB LEU 91 0.873 6.708 -7.041 686 HB3 LEU 91 2HB LEU 91 1.416 7.948 -5.928 687 HG LEU 91 HG LEU 91 2.476 7.822 -8.274 688 HD11 LEU 91 1HD1 LEU 91 3.514 8.579 -5.708 689 HD12 LEU 91 2HD1 LEU 91 4.843 7.996 -6.738 690 HD13 LEU 91 3HD1 LEU 91 3.792 9.317 -7.303 691 HD21 LEU 91 1HD2 LEU 91 4.526 6.367 -8.346 692 HD22 LEU 91 2HD2 LEU 91 3.888 5.514 -6.919 693 HD23 LEU 91 3HD2 LEU 91 2.974 5.500 -8.446 694 H GLU 92 H GLU 92 -0.550 5.482 -5.450 695 HA GLU 92 HA GLU 92 -0.782 5.907 -2.572 696 HB2 GLU 92 1HB GLU 92 -2.910 6.509 -4.672 697 HB3 GLU 92 2HB GLU 92 -3.031 6.827 -2.953 698 HG2 GLU 92 1HG GLU 92 -1.803 8.748 -3.103 699 HG3 GLU 92 2HG GLU 92 -0.591 8.002 -4.125 700 H TRP 93 H TRP 93 -2.935 4.814 -1.713 701 HA TRP 93 HA TRP 93 -3.639 2.431 -3.197 702 HB2 TRP 93 1HB TRP 93 -1.632 1.701 -2.049 703 HB3 TRP 93 2HB TRP 93 -2.249 2.286 -0.517 704 HD1 TRP 93 HD TRP 93 -4.738 0.957 0.217 705 HE1 TRP 93 1HE TRP 93 -5.345 -1.610 0.131 706 HE3 TRP 93 3HE TRP 93 -1.173 -0.309 -3.181 707 HZ2 TRP 93 2HZ TRP 93 -4.289 -3.832 -1.316 708 HZ3 TRP 93 3HZ TRP 93 -1.029 -2.699 -3.876 709 HH2 TRP 93 HH TRP 93 -2.513 -4.433 -3.002 710 H ASN 94 H ASN 94 -5.763 3.281 -3.270 711 HA ASN 94 HA ASN 94 -7.818 3.350 -2.509 712 HB2 ASN 94 1HB ASN 94 -6.613 1.974 -0.388 713 HB3 ASN 94 2HB ASN 94 -7.299 3.369 0.421 714 HD21 ASN 94 1HD2 ASN 94 -8.098 0.672 0.740 715 HD22 ASN 94 2HD2 ASN 94 -9.747 0.508 0.235 716 H GLY 95 H GLY 95 -5.516 5.513 -2.423 717 HA2 GLY 95 1HA GLY 95 -6.011 7.827 -2.428 718 HA3 GLY 95 2HA GLY 95 -7.146 7.589 -1.113 719 H ARG 96 H ARG 96 -4.731 5.558 -0.209 720 HA ARG 96 HA ARG 96 -3.669 7.538 1.558 721 HB2 ARG 96 1HB ARG 96 -3.455 4.510 1.347 722 HB3 ARG 96 2HB ARG 96 -2.398 5.393 2.431 723 HG2 ARG 96 1HG ARG 96 -5.177 6.290 2.720 724 HG3 ARG 96 2HG ARG 96 -5.053 4.558 2.954 725 HD2 ARG 96 1HD ARG 96 -2.849 5.492 4.384 726 HD3 ARG 96 2HD ARG 96 -4.022 6.767 4.650 727 HE ARG 96 HE ARG 96 -5.191 4.120 5.002 728 HH11 ARG 96 2HH2 ARG 96 -3.291 6.620 6.590 729 HH12 ARG 96 1HH2 ARG 96 -3.739 6.124 8.188 730 HH21 ARG 96 2HH1 ARG 96 -5.783 3.466 7.110 731 HH22 ARG 96 1HH1 ARG 96 -5.166 4.318 8.486 732 H LEU 97 H LEU 97 -1.809 8.666 1.087 733 HA LEU 97 HA LEU 97 -0.242 7.982 -1.164 734 HB2 LEU 97 1HB LEU 97 -0.716 10.277 -0.256 735 HB3 LEU 97 2HB LEU 97 0.399 9.930 1.051 736 HG LEU 97 HG LEU 97 2.103 9.422 -0.871 737 HD11 LEU 97 1HD1 LEU 97 -0.031 9.873 -2.486 738 HD12 LEU 97 2HD1 LEU 97 0.719 11.488 -2.465 739 HD13 LEU 97 3HD1 LEU 97 1.668 10.072 -2.979 740 HD21 LEU 97 1HD2 LEU 97 1.821 11.452 0.830 741 HD22 LEU 97 2HD2 LEU 97 3.045 11.451 -0.462 742 HD23 LEU 97 3HD2 LEU 97 1.518 12.338 -0.684 743 H LEU 98 H LEU 98 1.503 6.667 -1.348 744 HA LEU 98 HA LEU 98 2.442 5.429 1.118 745 HB2 LEU 98 1HB LEU 98 3.020 4.639 -1.736 746 HB3 LEU 98 2HB LEU 98 3.333 3.705 -0.287 747 HG LEU 98 HG LEU 98 0.671 4.328 -1.567 748 HD11 LEU 98 1HD1 LEU 98 1.889 1.673 -0.772 749 HD12 LEU 98 2HD1 LEU 98 0.437 1.958 -1.761 750 HD13 LEU 98 3HD1 LEU 98 2.042 2.400 -2.389 751 HD21 LEU 98 1HD2 LEU 98 -0.189 4.509 0.494 752 HD22 LEU 98 2HD2 LEU 98 0.026 2.744 0.564 753 HD23 LEU 98 3HD2 LEU 98 1.256 3.819 1.271 754 H GLN 99 H GLN 99 3.237 7.919 -1.130 755 HA GLN 99 HA GLN 99 6.006 7.653 -1.121 756 HB2 GLN 99 1HB GLN 99 4.029 9.810 -1.774 757 HB3 GLN 99 2HB GLN 99 5.680 10.324 -1.490 758 HG2 GLN 99 1HG GLN 99 6.442 8.556 -3.162 759 HG3 GLN 99 2HG GLN 99 4.756 8.239 -3.520 760 HE21 GLN 99 1HE2 GLN 99 6.431 9.012 -5.494 761 HE22 GLN 99 2HE2 GLN 99 6.075 10.616 -6.041 762 H GLY 100 H GLY 100 7.390 7.800 0.585 763 HA2 GLY 100 1HA GLY 100 8.403 8.950 2.322 764 HA3 GLY 100 2HA GLY 100 6.947 9.892 2.576 765 H ALA 101 H ALA 101 5.376 7.171 2.304 766 HA ALA 101 HA ALA 101 5.165 6.728 5.078 767 HB1 ALA 101 1HB ALA 101 3.744 4.757 4.243 768 HB2 ALA 101 2HB ALA 101 3.242 6.382 3.718 769 HB3 ALA 101 3HB ALA 101 4.128 5.319 2.598 770 H THR 102 H THR 102 5.909 5.017 6.383 771 HA THR 102 HA THR 102 8.337 3.785 5.419 772 HB THR 102 HB THR 102 8.735 3.399 7.730 773 HG1 THR 102 1HG THR 102 5.836 3.715 8.040 774 HG21 THR 102 1HG2 THR 102 6.627 5.547 8.114 775 HG22 THR 102 2HG2 THR 102 8.232 5.409 8.870 776 HG23 THR 102 3HG2 THR 102 8.089 5.926 7.172 777 H PHE 103 H PHE 103 8.716 1.396 6.017 778 HA PHE 103 HA PHE 103 7.288 -0.181 4.373 779 HB2 PHE 103 1HB PHE 103 9.412 -0.772 5.561 780 HB3 PHE 103 2HB PHE 103 8.577 -0.774 7.102 781 HD1 PHE 103 1HD PHE 103 7.098 -2.620 7.715 782 HD2 PHE 103 2HD PHE 103 9.205 -2.638 4.032 783 HE1 PHE 103 1HE PHE 103 6.630 -5.073 7.459 784 HE2 PHE 103 2HE PHE 103 8.737 -5.091 3.776 785 HZ PHE 103 HZ PHE 103 7.455 -6.279 5.493 786 H GLU 104 H GLU 104 6.649 0.345 7.903 787 HA GLU 104 HA GLU 104 4.514 -1.437 7.990 788 HB2 GLU 104 1HB GLU 104 5.245 0.945 9.743 789 HB3 GLU 104 2HB GLU 104 3.938 -0.157 10.127 790 HG2 GLU 104 1HG GLU 104 6.137 -1.841 9.528 791 HG3 GLU 104 2HG GLU 104 6.830 -0.526 10.457 792 H GLU 105 H GLU 105 4.554 2.203 7.879 793 HA GLU 105 HA GLU 105 1.973 2.744 7.824 794 HB2 GLU 105 1HB GLU 105 4.305 3.916 6.321 795 HB3 GLU 105 2HB GLU 105 2.703 4.512 5.937 796 HG2 GLU 105 1HG GLU 105 2.375 4.812 8.500 797 HG3 GLU 105 2HG GLU 105 4.103 4.560 8.640 798 H VAL 106 H VAL 106 3.883 1.730 4.904 799 HA VAL 106 HA VAL 106 1.765 1.789 3.114 800 HB VAL 106 HB VAL 106 4.270 0.099 3.209 801 HG11 VAL 106 1HG1 VAL 106 3.836 -0.765 1.160 802 HG12 VAL 106 2HG1 VAL 106 2.143 -0.474 1.625 803 HG13 VAL 106 3HG1 VAL 106 2.999 0.701 0.598 804 HG21 VAL 106 1HG2 VAL 106 3.614 2.770 1.934 805 HG22 VAL 106 2HG2 VAL 106 4.844 2.416 3.171 806 HG23 VAL 106 3HG2 VAL 106 5.050 1.806 1.511 807 H TYR 107 H TYR 107 3.074 -0.951 5.103 808 HA TYR 107 HA TYR 107 1.253 -2.855 4.229 809 HB2 TYR 107 1HB TYR 107 3.284 -3.360 5.542 810 HB3 TYR 107 2HB TYR 107 2.790 -2.275 6.826 811 HD1 TYR 107 1HD TYR 107 0.700 -2.908 8.199 812 HD2 TYR 107 2HD TYR 107 2.740 -5.654 5.629 813 HE1 TYR 107 1HE TYR 107 -0.360 -4.862 9.433 814 HE2 TYR 107 2HE TYR 107 1.674 -7.598 6.872 815 HH TYR 107 HH TYR 107 -0.882 -7.491 8.530 816 H ASN 108 H ASN 108 1.099 -0.572 7.040 817 HA ASN 108 HA ASN 108 -1.120 -1.488 8.233 818 HB2 ASN 108 1HB ASN 108 0.012 1.287 7.804 819 HB3 ASN 108 2HB ASN 108 -1.565 1.156 8.558 820 HD21 ASN 108 1HD2 ASN 108 1.671 1.306 9.101 821 HD22 ASN 108 2HD2 ASN 108 1.783 0.606 10.681 822 H ILE 109 H ILE 109 -0.814 0.614 5.309 823 HA ILE 109 HA ILE 109 -3.504 1.264 5.025 824 HB ILE 109 HB ILE 109 -1.262 1.002 3.024 825 HG12 ILE 109 1HG1 ILE 109 -2.419 3.604 3.933 826 HG13 ILE 109 2HG1 ILE 109 -1.381 2.738 5.048 827 HG21 ILE 109 1HG2 ILE 109 -3.482 2.754 2.287 828 HG22 ILE 109 2HG2 ILE 109 -2.605 1.539 1.326 829 HG23 ILE 109 3HG2 ILE 109 -3.948 1.039 2.383 830 HD11 ILE 109 1HD1 ILE 109 -0.045 2.563 2.560 831 HD12 ILE 109 2HD1 ILE 109 -0.659 4.232 2.646 832 HD13 ILE 109 3HD1 ILE 109 0.394 3.603 3.937 833 H ILE 110 H ILE 110 -1.696 -1.137 2.983 834 HA ILE 110 HA ILE 110 -3.879 -2.350 1.908 835 HB ILE 110 HB ILE 110 -1.134 -3.362 2.594 836 HG12 ILE 110 1HG1 ILE 110 -1.839 -3.276 -0.205 837 HG13 ILE 110 2HG1 ILE 110 -2.196 -1.730 0.541 838 HG21 ILE 110 1HG2 ILE 110 -1.535 -5.357 1.296 839 HG22 ILE 110 2HG2 ILE 110 -2.706 -5.276 2.634 840 HG23 ILE 110 3HG2 ILE 110 -3.215 -4.860 0.980 841 HD11 ILE 110 1HD1 ILE 110 0.458 -3.184 0.924 842 HD12 ILE 110 2HD1 ILE 110 0.178 -1.962 -0.339 843 HD13 ILE 110 3HD1 ILE 110 0.071 -1.507 1.379 844 H LEU 111 H LEU 111 -2.334 -2.948 5.101 845 HA LEU 111 HA LEU 111 -3.914 -5.190 5.724 846 HB2 LEU 111 1HB LEU 111 -1.846 -4.839 6.834 847 HB3 LEU 111 2HB LEU 111 -2.317 -3.240 7.373 848 HG LEU 111 HG LEU 111 -2.316 -5.191 9.064 849 HD11 LEU 111 1HD1 LEU 111 -4.912 -3.683 9.070 850 HD12 LEU 111 2HD1 LEU 111 -3.805 -4.052 10.413 851 HD13 LEU 111 3HD1 LEU 111 -3.367 -2.810 9.215 852 HD21 LEU 111 1HD2 LEU 111 -3.893 -6.453 7.273 853 HD22 LEU 111 2HD2 LEU 111 -3.889 -6.806 9.018 854 HD23 LEU 111 3HD2 LEU 111 -5.132 -5.734 8.329 855 H GLU 112 H GLU 112 -4.387 -1.666 5.975 856 HA GLU 112 HA GLU 112 -6.671 -1.953 7.635 857 HB2 GLU 112 1HB GLU 112 -5.290 0.321 6.215 858 HB3 GLU 112 2HB GLU 112 -6.930 0.568 6.781 859 HG2 GLU 112 1HG GLU 112 -5.342 -0.752 8.850 860 HG3 GLU 112 2HG GLU 112 -4.538 0.711 8.316 861 H SER 113 H SER 113 -5.972 -2.065 4.197 862 HA SER 113 HA SER 113 -8.769 -1.647 3.577 863 HB2 SER 113 1HB SER 113 -6.349 -2.008 1.754 864 HB3 SER 113 2HB SER 113 -7.979 -1.690 1.195 865 HG SER 113 HG SER 113 -7.830 0.294 2.666 866 H LYS 114 H LYS 114 -7.620 -4.062 5.034 867 HA LYS 114 HA LYS 114 -7.627 -6.208 3.176 868 HB2 LYS 114 1HB LYS 114 -7.233 -5.806 6.050 869 HB3 LYS 114 2HB LYS 114 -8.103 -7.283 5.691 870 HG2 LYS 114 1HG LYS 114 -6.303 -7.831 3.964 871 HG3 LYS 114 2HG LYS 114 -5.406 -6.439 4.536 872 HD2 LYS 114 1HD LYS 114 -4.493 -8.266 5.761 873 HD3 LYS 114 2HD LYS 114 -5.567 -7.479 6.901 874 HE2 LYS 114 1HE LYS 114 -7.257 -9.297 5.589 875 HE3 LYS 114 2HE LYS 114 -5.748 -10.179 5.712 876 HZ1 LYS 114 1HZ LYS 114 -7.196 -10.403 7.655 877 HZ2 LYS 114 2HZ LYS 114 -5.726 -9.805 8.041 878 HZ3 LYS 114 3HZ LYS 114 -7.021 -8.812 7.979 879 HA PRO 115 HA PRO 115 -12.042 -6.723 4.764 880 HB2 PRO 115 1HB PRO 115 -13.170 -4.827 6.376 881 HB3 PRO 115 2HB PRO 115 -12.415 -6.283 6.993 882 HG2 PRO 115 1HG PRO 115 -11.384 -3.513 7.008 883 HG3 PRO 115 2HG PRO 115 -10.865 -4.882 7.970 884 HD2 PRO 115 1HD PRO 115 -9.525 -3.786 5.683 885 HD3 PRO 115 2HD PRO 115 -9.070 -5.224 6.575 886 H GLU 116 H GLU 116 -10.831 -3.747 3.695 887 HA GLU 116 HA GLU 116 -13.088 -2.496 2.858 888 HB2 GLU 116 1HB GLU 116 -10.227 -2.527 2.052 889 HB3 GLU 116 2HB GLU 116 -11.318 -1.945 0.809 890 HG2 GLU 116 1HG GLU 116 -12.089 -0.800 3.371 891 HG3 GLU 116 2HG GLU 116 -10.377 -0.531 3.111 892 HA PRO 117 HA PRO 117 -14.666 -5.023 -0.305 893 HB2 PRO 117 1HB PRO 117 -16.341 -3.260 -1.552 894 HB3 PRO 117 2HB PRO 117 -16.768 -4.109 -0.079 895 HG2 PRO 117 1HG PRO 117 -15.988 -1.279 -0.426 896 HG3 PRO 117 2HG PRO 117 -16.813 -2.033 0.923 897 HD2 PRO 117 1HD PRO 117 -14.054 -1.257 0.816 898 HD3 PRO 117 2HD PRO 117 -14.851 -2.115 2.119 899 H GLN 118 H GLN 118 -13.247 -1.966 -1.166 900 HA GLN 118 HA GLN 118 -12.230 -3.316 -3.524 901 HB2 GLN 118 1HB GLN 118 -12.824 -1.576 -5.016 902 HB3 GLN 118 2HB GLN 118 -14.265 -1.808 -4.046 903 HG2 GLN 118 1HG GLN 118 -13.068 0.053 -2.494 904 HG3 GLN 118 2HG GLN 118 -12.295 0.470 -4.010 905 HE21 GLN 118 1HE2 GLN 118 -14.064 0.157 -5.918 906 HE22 GLN 118 2HE2 GLN 118 -15.485 1.124 -5.703 907 H VAL 119 H VAL 119 -10.452 -1.719 -4.584 908 HA VAL 119 HA VAL 119 -9.116 -0.123 -2.585 909 HB VAL 119 HB VAL 119 -7.673 -2.474 -3.807 910 HG11 VAL 119 1HG1 VAL 119 -6.778 -1.186 -1.283 911 HG12 VAL 119 2HG1 VAL 119 -5.833 -1.798 -2.662 912 HG13 VAL 119 3HG1 VAL 119 -6.630 -0.210 -2.764 913 HG21 VAL 119 1HG2 VAL 119 -7.836 -3.568 -1.591 914 HG22 VAL 119 2HG2 VAL 119 -8.941 -2.280 -1.053 915 HG23 VAL 119 3HG2 VAL 119 -9.424 -3.374 -2.372 916 H GLU 120 H GLU 120 -8.597 1.706 -3.655 917 HA GLU 120 HA GLU 120 -8.209 1.465 -6.519 918 HB2 GLU 120 1HB GLU 120 -9.901 3.088 -5.783 919 HB3 GLU 120 2HB GLU 120 -8.739 3.887 -4.743 920 HG2 GLU 120 1HG GLU 120 -7.339 4.112 -7.015 921 HG3 GLU 120 2HG GLU 120 -8.911 3.902 -7.761 922 H LEU 121 H LEU 121 -6.089 1.015 -7.012 923 HA LEU 121 HA LEU 121 -4.007 2.190 -5.375 924 HB2 LEU 121 1HB LEU 121 -4.155 0.057 -7.469 925 HB3 LEU 121 2HB LEU 121 -2.614 0.817 -7.123 926 HG LEU 121 HG LEU 121 -2.533 -0.019 -4.937 927 HD11 LEU 121 1HD1 LEU 121 -4.862 0.656 -4.341 928 HD12 LEU 121 2HD1 LEU 121 -5.440 -0.850 -5.094 929 HD13 LEU 121 3HD1 LEU 121 -4.361 -0.919 -3.680 930 HD21 LEU 121 1HD2 LEU 121 -3.688 -2.507 -5.518 931 HD22 LEU 121 2HD2 LEU 121 -3.182 -1.838 -7.088 932 HD23 LEU 121 3HD2 LEU 121 -1.999 -2.006 -5.769 933 H VAL 122 H VAL 122 -2.107 3.254 -6.496 934 HA VAL 122 HA VAL 122 -2.788 4.532 -9.004 935 HB VAL 122 HB VAL 122 -2.213 6.126 -6.499 936 HG11 VAL 122 1HG1 VAL 122 -2.855 7.015 -9.332 937 HG12 VAL 122 2HG1 VAL 122 -2.679 8.087 -7.922 938 HG13 VAL 122 3HG1 VAL 122 -1.282 7.155 -8.512 939 HG21 VAL 122 1HG2 VAL 122 -4.798 5.869 -8.074 940 HG22 VAL 122 2HG2 VAL 122 -4.482 5.174 -6.466 941 HG23 VAL 122 3HG2 VAL 122 -4.517 6.941 -6.681 942 H VAL 123 H VAL 123 -1.022 4.094 -10.216 943 HA VAL 123 HA VAL 123 1.569 4.142 -8.835 944 HB VAL 123 HB VAL 123 1.302 1.998 -9.642 945 HG11 VAL 123 1HG1 VAL 123 -0.760 2.159 -10.823 946 HG12 VAL 123 2HG1 VAL 123 -0.049 3.219 -12.064 947 HG13 VAL 123 3HG1 VAL 123 0.431 1.507 -11.973 948 HG21 VAL 123 1HG2 VAL 123 2.633 3.498 -11.924 949 HG22 VAL 123 2HG2 VAL 123 3.418 2.950 -10.423 950 HG23 VAL 123 3HG2 VAL 123 2.793 1.757 -11.587 951 H SER 124 H SER 124 3.431 4.897 -10.268 952 HA SER 124 HA SER 124 2.608 6.697 -12.346 953 HB2 SER 124 1HB SER 124 2.403 8.201 -10.473 954 HB3 SER 124 2HB SER 124 3.899 7.635 -9.757 955 HG SER 124 HG SER 124 4.996 9.036 -10.944 956 H ARG 125 H ARG 125 3.952 6.003 -13.973 957 HA ARG 125 HA ARG 125 6.677 5.361 -13.184 958 HB2 ARG 125 1HB ARG 125 6.779 3.874 -15.112 959 HB3 ARG 125 2HB ARG 125 5.293 3.518 -14.253 960 HG2 ARG 125 1HG ARG 125 4.757 5.634 -16.157 961 HG3 ARG 125 2HG ARG 125 5.606 4.346 -16.990 962 HD2 ARG 125 1HD ARG 125 2.966 4.193 -15.491 963 HD3 ARG 125 2HD ARG 125 3.294 3.753 -17.155 964 HE ARG 125 HE ARG 125 3.855 2.122 -14.764 965 HH11 ARG 125 2HH2 ARG 125 4.438 2.579 -18.204 966 HH12 ARG 125 1HH2 ARG 125 4.922 0.937 -18.470 967 HH21 ARG 125 2HH1 ARG 125 4.494 -0.044 -15.115 968 HH22 ARG 125 1HH1 ARG 125 4.954 -0.565 -16.701 969 H SER 126 H SER 126 8.369 5.845 -14.976 970 HA SER 126 HA SER 126 7.778 8.492 -15.970 971 HB2 SER 126 1HB SER 126 9.826 8.524 -14.826 972 HB3 SER 126 2HB SER 126 10.289 6.928 -15.384 973 HG SER 126 HG SER 126 11.463 8.762 -16.394 974 H GLY 127 H GLY 127 7.763 9.023 -18.184 975 HA2 GLY 127 1HA GLY 127 7.733 6.725 -20.011 976 HA3 GLY 127 2HA GLY 127 7.023 8.303 -20.285 977 HA PRO 128 HA PRO 128 10.994 8.316 -22.458 978 HB2 PRO 128 1HB PRO 128 10.065 9.135 -24.894 979 HB3 PRO 128 2HB PRO 128 10.293 7.449 -24.472 980 HG2 PRO 128 1HG PRO 128 7.774 8.982 -24.686 981 HG3 PRO 128 2HG PRO 128 8.006 7.245 -24.689 982 HD2 PRO 128 1HD PRO 128 7.054 8.845 -22.507 983 HD3 PRO 128 2HD PRO 128 7.396 7.127 -22.475 984 H SER 129 H SER 129 12.425 9.938 -22.307 985 HA SER 129 HA SER 129 11.539 12.531 -23.010 986 HB2 SER 129 1HB SER 129 10.768 11.999 -20.517 987 HB3 SER 129 2HB SER 129 12.446 12.327 -20.136 988 HG SER 129 HG SER 129 11.129 14.203 -21.820 989 H SER 130 H SER 130 13.944 10.827 -20.865 990 HA SER 130 HA SER 130 16.011 12.186 -22.411 991 HB2 SER 130 1HB SER 130 15.728 12.666 -19.860 992 HB3 SER 130 2HB SER 130 16.398 11.065 -19.615 993 HG SER 130 HG SER 130 18.037 12.746 -19.579 994 H GLY 131 H GLY 131 18.129 10.886 -22.560 995 HA2 GLY 131 1HA GLY 131 19.253 9.018 -23.105 996 HA3 GLY 131 2HA GLY 131 18.189 8.121 -22.040 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -39.706 18.618 -4.627 2 HA2 GLY 1 1HA GLY 1 -37.395 19.507 -3.552 3 HA3 GLY 1 2HA GLY 1 -37.655 17.851 -4.062 4 H SER 2 H SER 2 -36.736 17.065 -6.011 5 HA SER 2 HA SER 2 -34.892 18.967 -7.231 6 HB2 SER 2 1HB SER 2 -33.458 17.032 -7.769 7 HB3 SER 2 2HB SER 2 -33.759 17.120 -6.045 8 HG SER 2 HG SER 2 -35.741 15.615 -6.965 9 H SER 3 H SER 3 -34.272 18.121 -9.614 10 HA SER 3 HA SER 3 -36.834 17.755 -10.913 11 HB2 SER 3 1HB SER 3 -34.255 19.071 -11.608 12 HB3 SER 3 2HB SER 3 -35.029 18.237 -12.941 13 HG SER 3 HG SER 3 -36.764 19.595 -12.866 14 H GLY 4 H GLY 4 -36.870 16.305 -12.914 15 HA2 GLY 4 1HA GLY 4 -35.351 13.855 -12.332 16 HA3 GLY 4 2HA GLY 4 -36.849 13.974 -13.232 17 H SER 5 H SER 5 -36.453 13.337 -15.312 18 HA SER 5 HA SER 5 -35.620 13.286 -17.315 19 HB2 SER 5 1HB SER 5 -34.745 16.000 -16.405 20 HB3 SER 5 2HB SER 5 -33.938 15.371 -17.827 21 HG SER 5 HG SER 5 -35.726 15.626 -18.995 22 H SER 6 H SER 6 -34.029 11.934 -18.108 23 HA SER 6 HA SER 6 -31.332 12.308 -17.339 24 HB2 SER 6 1HB SER 6 -32.781 10.777 -15.551 25 HB3 SER 6 2HB SER 6 -32.166 9.543 -16.633 26 HG SER 6 HG SER 6 -29.994 10.562 -16.306 27 H GLY 7 H GLY 7 -29.967 10.346 -18.326 28 HA2 GLY 7 1HA GLY 7 -30.665 8.487 -20.057 29 HA3 GLY 7 2HA GLY 7 -31.043 9.910 -21.007 30 H HIS 8 H HIS 8 -28.443 8.072 -19.387 31 HA HIS 8 HA HIS 8 -26.589 8.734 -21.353 32 HB2 HIS 8 1HB HIS 8 -26.699 10.956 -20.205 33 HB3 HIS 8 2HB HIS 8 -26.117 10.192 -18.739 34 HD1 HIS 8 1HD HIS 8 -23.688 10.615 -18.418 35 HD2 HIS 8 2HD HIS 8 -24.675 10.186 -22.472 36 HE1 HIS 8 1HE HIS 8 -21.507 10.879 -19.716 37 H SER 9 H SER 9 -24.258 8.009 -20.538 38 HA SER 9 HA SER 9 -24.323 5.431 -19.952 39 HB2 SER 9 1HB SER 9 -21.981 5.652 -19.146 40 HB3 SER 9 2HB SER 9 -22.271 6.613 -20.582 41 HG SER 9 HG SER 9 -21.633 7.430 -17.974 42 H HIS 10 H HIS 10 -24.276 4.063 -18.088 43 HA HIS 10 HA HIS 10 -25.233 5.405 -15.682 44 HB2 HIS 10 1HB HIS 10 -26.569 3.569 -16.819 45 HB3 HIS 10 2HB HIS 10 -25.315 2.449 -16.325 46 HD1 HIS 10 1HD HIS 10 -24.775 2.920 -13.475 47 HD2 HIS 10 2HD HIS 10 -28.628 3.436 -15.051 48 HE1 HIS 10 1HE HIS 10 -26.384 2.735 -11.504 49 H SER 11 H SER 11 -22.874 6.148 -15.453 50 HA SER 11 HA SER 11 -20.873 5.969 -14.606 51 HB2 SER 11 1HB SER 11 -22.716 4.619 -12.747 52 HB3 SER 11 2HB SER 11 -21.061 4.083 -12.535 53 HG SER 11 HG SER 11 -21.268 6.854 -12.843 54 H ASP 12 H ASP 12 -19.943 4.947 -16.540 55 HA ASP 12 HA ASP 12 -19.287 2.155 -16.022 56 HB2 ASP 12 1HB ASP 12 -20.358 3.497 -18.445 57 HB3 ASP 12 2HB ASP 12 -18.959 2.494 -18.768 58 H LYS 13 H LYS 13 -17.357 3.184 -14.903 59 HA LYS 13 HA LYS 13 -15.407 4.167 -16.869 60 HB2 LYS 13 1HB LYS 13 -14.378 5.417 -14.981 61 HB3 LYS 13 2HB LYS 13 -15.982 5.976 -15.410 62 HG2 LYS 13 1HG LYS 13 -16.815 5.458 -13.356 63 HG3 LYS 13 2HG LYS 13 -16.139 3.843 -13.407 64 HD2 LYS 13 1HD LYS 13 -14.134 4.488 -12.373 65 HD3 LYS 13 2HD LYS 13 -14.240 6.140 -12.948 66 HE2 LYS 13 1HE LYS 13 -16.529 5.584 -11.242 67 HE3 LYS 13 2HE LYS 13 -15.064 5.113 -10.403 68 HZ1 LYS 13 1HZ LYS 13 -15.933 7.574 -10.450 69 HZ2 LYS 13 2HZ LYS 13 -14.341 7.224 -10.349 70 HZ3 LYS 13 3HZ LYS 13 -14.994 7.645 -11.785 71 H HIS 14 H HIS 14 -14.001 2.573 -17.358 72 HA HIS 14 HA HIS 14 -13.720 0.214 -16.108 73 HB2 HIS 14 1HB HIS 14 -11.523 1.793 -17.475 74 HB3 HIS 14 2HB HIS 14 -11.493 0.068 -17.168 75 HD1 HIS 14 1HD HIS 14 -13.454 -1.365 -18.431 76 HD2 HIS 14 2HD HIS 14 -12.747 2.525 -19.833 77 HE1 HIS 14 1HE HIS 14 -14.507 -1.239 -20.751 78 HA PRO 15 HA PRO 15 -11.691 0.945 -12.359 79 HB2 PRO 15 1HB PRO 15 -10.629 -1.519 -11.842 80 HB3 PRO 15 2HB PRO 15 -12.307 -1.117 -11.540 81 HG2 PRO 15 1HG PRO 15 -11.156 -2.748 -13.721 82 HG3 PRO 15 2HG PRO 15 -12.814 -2.683 -13.156 83 HD2 PRO 15 1HD PRO 15 -11.758 -1.459 -15.526 84 HD3 PRO 15 2HD PRO 15 -13.387 -1.299 -14.900 85 H VAL 16 H VAL 16 -9.944 -0.044 -15.113 86 HA VAL 16 HA VAL 16 -7.482 0.859 -13.789 87 HB VAL 16 HB VAL 16 -7.791 -0.873 -16.247 88 HG11 VAL 16 1HG1 VAL 16 -5.404 -1.370 -15.892 89 HG12 VAL 16 2HG1 VAL 16 -5.682 0.367 -16.166 90 HG13 VAL 16 3HG1 VAL 16 -5.374 -0.237 -14.520 91 HG21 VAL 16 1HG2 VAL 16 -7.556 -2.792 -14.965 92 HG22 VAL 16 2HG2 VAL 16 -6.870 -1.912 -13.578 93 HG23 VAL 16 3HG2 VAL 16 -8.609 -1.791 -13.937 94 H THR 17 H THR 17 -6.271 2.520 -14.726 95 HA THR 17 HA THR 17 -7.034 3.535 -17.316 96 HB THR 17 HB THR 17 -7.284 5.881 -15.954 97 HG1 THR 17 1HG THR 17 -8.301 5.352 -13.929 98 HG21 THR 17 1HG2 THR 17 -9.749 4.202 -15.730 99 HG22 THR 17 2HG2 THR 17 -9.528 5.785 -16.514 100 HG23 THR 17 3HG2 THR 17 -9.048 4.297 -17.364 101 H TRP 18 H TRP 18 -5.261 4.186 -18.367 102 HA TRP 18 HA TRP 18 -2.959 4.926 -16.691 103 HB2 TRP 18 1HB TRP 18 -3.032 3.314 -19.245 104 HB3 TRP 18 2HB TRP 18 -1.568 4.004 -18.572 105 HD1 TRP 18 HD TRP 18 -4.071 1.161 -17.948 106 HE1 TRP 18 1HE TRP 18 -3.158 -0.556 -16.164 107 HE3 TRP 18 3HE TRP 18 -0.042 3.937 -16.564 108 HZ2 TRP 18 2HZ TRP 18 -0.905 -0.560 -14.413 109 HZ3 TRP 18 3HZ TRP 18 1.464 3.004 -14.810 110 HH2 TRP 18 HH TRP 18 1.086 0.837 -13.745 111 H GLN 19 H GLN 19 -2.782 7.128 -16.851 112 HA GLN 19 HA GLN 19 -2.891 8.207 -19.544 113 HB2 GLN 19 1HB GLN 19 -4.315 9.373 -17.113 114 HB3 GLN 19 2HB GLN 19 -4.090 10.241 -18.618 115 HG2 GLN 19 1HG GLN 19 -5.360 7.486 -18.648 116 HG3 GLN 19 2HG GLN 19 -6.324 8.882 -18.209 117 HE21 GLN 19 1HE2 GLN 19 -6.256 7.017 -20.564 118 HE22 GLN 19 2HE2 GLN 19 -6.213 8.029 -21.969 119 HA PRO 20 HA PRO 20 0.697 10.256 -18.216 120 HB2 PRO 20 1HB PRO 20 0.835 12.340 -19.978 121 HB3 PRO 20 2HB PRO 20 1.337 10.710 -20.381 122 HG2 PRO 20 1HG PRO 20 -1.110 12.152 -21.202 123 HG3 PRO 20 2HG PRO 20 -0.388 10.722 -21.913 124 HD2 PRO 20 1HD PRO 20 -2.696 10.816 -20.213 125 HD3 PRO 20 2HD PRO 20 -1.906 9.378 -20.829 126 H SER 21 H SER 21 1.680 12.091 -17.150 127 HA SER 21 HA SER 21 -0.296 13.292 -15.521 128 HB2 SER 21 1HB SER 21 1.496 14.045 -14.202 129 HB3 SER 21 2HB SER 21 2.144 12.583 -14.919 130 HG SER 21 HG SER 21 2.856 15.282 -15.358 131 H LYS 22 H LYS 22 0.389 15.893 -15.058 132 HA LYS 22 HA LYS 22 -0.801 17.295 -17.076 133 HB2 LYS 22 1HB LYS 22 0.506 17.849 -14.577 134 HB3 LYS 22 2HB LYS 22 1.011 19.045 -15.753 135 HG2 LYS 22 1HG LYS 22 -0.971 20.005 -14.947 136 HG3 LYS 22 2HG LYS 22 -1.550 19.173 -16.376 137 HD2 LYS 22 1HD LYS 22 -2.632 17.504 -15.150 138 HD3 LYS 22 2HD LYS 22 -1.508 17.604 -13.809 139 HE2 LYS 22 1HE LYS 22 -2.819 19.105 -12.709 140 HE3 LYS 22 2HE LYS 22 -2.933 20.140 -14.118 141 HZ1 LYS 22 1HZ LYS 22 -4.782 19.033 -14.857 142 HZ2 LYS 22 2HZ LYS 22 -4.476 17.668 -14.015 143 HZ3 LYS 22 3HZ LYS 22 -5.020 19.000 -13.242 144 H ASP 23 H ASP 23 2.755 16.921 -16.446 145 HA ASP 23 HA ASP 23 3.533 18.414 -18.629 146 HB2 ASP 23 1HB ASP 23 4.805 16.216 -16.981 147 HB3 ASP 23 2HB ASP 23 5.639 16.787 -18.412 148 H GLY 24 H GLY 24 3.713 14.788 -18.211 149 HA2 GLY 24 1HA GLY 24 2.430 13.535 -19.971 150 HA3 GLY 24 2HA GLY 24 3.310 14.514 -21.127 151 H ASP 25 H ASP 25 5.720 14.474 -19.129 152 HA ASP 25 HA ASP 25 6.970 12.285 -20.368 153 HB2 ASP 25 1HB ASP 25 8.021 13.707 -17.898 154 HB3 ASP 25 2HB ASP 25 8.943 13.005 -19.212 155 H ARG 26 H ARG 26 4.804 12.532 -17.771 156 HA ARG 26 HA ARG 26 5.925 10.134 -16.558 157 HB2 ARG 26 1HB ARG 26 4.813 12.631 -15.336 158 HB3 ARG 26 2HB ARG 26 4.288 11.140 -14.580 159 HG2 ARG 26 1HG ARG 26 7.219 11.370 -15.196 160 HG3 ARG 26 2HG ARG 26 6.607 12.398 -13.916 161 HD2 ARG 26 1HD ARG 26 5.927 10.556 -12.576 162 HD3 ARG 26 2HD ARG 26 5.874 9.455 -13.938 163 HE ARG 26 HE ARG 26 8.536 10.182 -13.858 164 HH11 ARG 26 2HH2 ARG 26 6.304 8.932 -11.442 165 HH12 ARG 26 1HH2 ARG 26 7.539 8.126 -10.533 166 HH21 ARG 26 2HH1 ARG 26 10.166 9.120 -12.660 167 HH22 ARG 26 1HH1 ARG 26 9.750 8.234 -11.230 168 H LEU 27 H LEU 27 4.364 8.480 -15.923 169 HA LEU 27 HA LEU 27 1.743 8.871 -17.192 170 HB2 LEU 27 1HB LEU 27 3.739 6.911 -17.621 171 HB3 LEU 27 2HB LEU 27 2.417 6.110 -16.795 172 HG LEU 27 HG LEU 27 1.830 5.797 -18.991 173 HD11 LEU 27 1HD1 LEU 27 -0.191 6.783 -19.190 174 HD12 LEU 27 2HD1 LEU 27 0.189 7.381 -17.558 175 HD13 LEU 27 3HD1 LEU 27 0.459 8.426 -18.973 176 HD21 LEU 27 1HD2 LEU 27 2.024 8.219 -20.400 177 HD22 LEU 27 2HD2 LEU 27 3.528 8.085 -19.458 178 HD23 LEU 27 3HD2 LEU 27 3.051 6.775 -20.565 179 H ILE 28 H ILE 28 -0.097 8.497 -15.990 180 HA ILE 28 HA ILE 28 0.400 7.733 -13.197 181 HB ILE 28 HB ILE 28 -1.823 9.468 -14.271 182 HG12 ILE 28 1HG1 ILE 28 0.380 10.530 -14.618 183 HG13 ILE 28 2HG1 ILE 28 -0.617 11.389 -13.460 184 HG21 ILE 28 1HG2 ILE 28 -1.304 8.203 -11.714 185 HG22 ILE 28 2HG2 ILE 28 -1.388 9.975 -11.560 186 HG23 ILE 28 3HG2 ILE 28 -2.744 9.079 -12.287 187 HD11 ILE 28 1HD1 ILE 28 0.597 10.209 -11.589 188 HD12 ILE 28 2HD1 ILE 28 1.663 9.468 -12.806 189 HD13 ILE 28 3HD1 ILE 28 1.660 11.234 -12.584 190 H GLY 29 H GLY 29 0.017 5.552 -13.142 191 HA2 GLY 29 1HA GLY 29 -2.260 4.487 -14.636 192 HA3 GLY 29 2HA GLY 29 -0.990 3.581 -13.837 193 H ARG 30 H ARG 30 -4.212 4.090 -13.695 194 HA ARG 30 HA ARG 30 -4.212 4.015 -10.784 195 HB2 ARG 30 1HB ARG 30 -5.678 5.693 -12.586 196 HB3 ARG 30 2HB ARG 30 -6.845 4.572 -11.912 197 HG2 ARG 30 1HG ARG 30 -6.015 5.154 -9.597 198 HG3 ARG 30 2HG ARG 30 -4.928 6.331 -10.308 199 HD2 ARG 30 1HD ARG 30 -7.038 7.377 -11.414 200 HD3 ARG 30 2HD ARG 30 -7.976 6.365 -10.334 201 HE ARG 30 HE ARG 30 -6.227 7.575 -8.596 202 HH11 ARG 30 2HH2 ARG 30 -8.335 8.847 -11.110 203 HH12 ARG 30 1HH2 ARG 30 -8.570 10.371 -10.321 204 HH21 ARG 30 2HH1 ARG 30 -6.537 9.585 -7.553 205 HH22 ARG 30 1HH1 ARG 30 -7.541 10.793 -8.284 206 H ILE 31 H ILE 31 -4.697 1.993 -9.988 207 HA ILE 31 HA ILE 31 -6.284 0.237 -11.725 208 HB ILE 31 HB ILE 31 -4.113 -0.332 -9.718 209 HG12 ILE 31 1HG1 ILE 31 -3.457 -1.721 -11.920 210 HG13 ILE 31 2HG1 ILE 31 -4.389 -0.450 -12.685 211 HG21 ILE 31 1HG2 ILE 31 -5.583 -2.027 -9.158 212 HG22 ILE 31 2HG2 ILE 31 -6.239 -2.152 -10.808 213 HG23 ILE 31 3HG2 ILE 31 -4.613 -2.780 -10.447 214 HD11 ILE 31 1HD1 ILE 31 -2.450 0.448 -10.589 215 HD12 ILE 31 2HD1 ILE 31 -1.749 -0.196 -12.094 216 HD13 ILE 31 3HD1 ILE 31 -2.861 1.193 -12.153 217 H LEU 32 H LEU 32 -7.902 -1.132 -10.699 218 HA LEU 32 HA LEU 32 -8.648 -0.309 -8.005 219 HB2 LEU 32 1HB LEU 32 -9.854 1.206 -9.455 220 HB3 LEU 32 2HB LEU 32 -10.457 -0.129 -10.416 221 HG LEU 32 HG LEU 32 -12.105 0.872 -8.816 222 HD11 LEU 32 1HD1 LEU 32 -13.217 -1.086 -8.659 223 HD12 LEU 32 2HD1 LEU 32 -11.877 -1.671 -9.675 224 HD13 LEU 32 3HD1 LEU 32 -11.844 -1.940 -7.915 225 HD21 LEU 32 1HD2 LEU 32 -11.767 1.036 -6.614 226 HD22 LEU 32 2HD2 LEU 32 -11.087 -0.605 -6.499 227 HD23 LEU 32 3HD2 LEU 32 -10.050 0.756 -6.989 228 H LEU 33 H LEU 33 -9.701 -1.937 -6.820 229 HA LEU 33 HA LEU 33 -10.234 -4.417 -8.267 230 HB2 LEU 33 1HB LEU 33 -8.631 -4.344 -5.714 231 HB3 LEU 33 2HB LEU 33 -9.010 -5.740 -6.703 232 HG LEU 33 HG LEU 33 -7.432 -3.487 -7.904 233 HD11 LEU 33 1HD1 LEU 33 -6.577 -4.425 -5.535 234 HD12 LEU 33 2HD1 LEU 33 -5.876 -5.658 -6.611 235 HD13 LEU 33 3HD1 LEU 33 -5.482 -3.939 -6.852 236 HD21 LEU 33 1HD2 LEU 33 -8.373 -5.642 -9.080 237 HD22 LEU 33 2HD2 LEU 33 -6.748 -5.025 -9.462 238 HD23 LEU 33 3HD2 LEU 33 -6.938 -6.405 -8.354 239 H ASN 34 H ASN 34 -11.890 -5.697 -7.340 240 HA ASN 34 HA ASN 34 -13.097 -4.581 -4.954 241 HB2 ASN 34 1HB ASN 34 -14.245 -3.707 -7.101 242 HB3 ASN 34 2HB ASN 34 -14.733 -5.360 -7.419 243 HD21 ASN 34 1HD2 ASN 34 -16.853 -4.235 -7.318 244 HD22 ASN 34 2HD2 ASN 34 -17.671 -4.144 -5.794 245 H LYS 35 H LYS 35 -14.143 -6.229 -3.668 246 HA LYS 35 HA LYS 35 -13.809 -8.948 -4.727 247 HB2 LYS 35 1HB LYS 35 -13.926 -8.240 -1.797 248 HB3 LYS 35 2HB LYS 35 -13.317 -9.700 -2.551 249 HG2 LYS 35 1HG LYS 35 -11.244 -8.790 -2.595 250 HG3 LYS 35 2HG LYS 35 -11.822 -7.563 -3.704 251 HD2 LYS 35 1HD LYS 35 -11.849 -5.951 -2.088 252 HD3 LYS 35 2HD LYS 35 -12.642 -7.001 -0.930 253 HE2 LYS 35 1HE LYS 35 -10.607 -6.847 0.147 254 HE3 LYS 35 2HE LYS 35 -10.201 -8.180 -0.915 255 HZ1 LYS 35 1HZ LYS 35 -9.533 -6.329 -2.518 256 HZ2 LYS 35 2HZ LYS 35 -9.501 -5.365 -1.200 257 HZ3 LYS 35 3HZ LYS 35 -8.532 -6.677 -1.276 258 H ARG 36 H ARG 36 -16.008 -6.497 -3.548 259 HA ARG 36 HA ARG 36 -18.006 -7.753 -2.412 260 HB2 ARG 36 1HB ARG 36 -17.954 -5.624 -4.557 261 HB3 ARG 36 2HB ARG 36 -19.514 -6.255 -4.072 262 HG2 ARG 36 1HG ARG 36 -19.116 -5.637 -1.735 263 HG3 ARG 36 2HG ARG 36 -17.454 -5.203 -2.081 264 HD2 ARG 36 1HD ARG 36 -19.886 -3.815 -3.309 265 HD3 ARG 36 2HD ARG 36 -18.996 -3.208 -1.927 266 HE ARG 36 HE ARG 36 -17.052 -3.636 -3.902 267 HH11 ARG 36 2HH2 ARG 36 -19.977 -1.703 -3.601 268 HH12 ARG 36 1HH2 ARG 36 -19.420 -0.462 -4.674 269 HH21 ARG 36 2HH1 ARG 36 -16.317 -1.999 -5.316 270 HH22 ARG 36 1HH1 ARG 36 -17.324 -0.632 -5.656 271 H LEU 37 H LEU 37 -18.718 -9.837 -2.845 272 HA LEU 37 HA LEU 37 -18.646 -11.028 -5.351 273 HB2 LEU 37 1HB LEU 37 -20.400 -11.694 -2.982 274 HB3 LEU 37 2HB LEU 37 -20.053 -12.750 -4.337 275 HG LEU 37 HG LEU 37 -17.752 -11.681 -2.746 276 HD11 LEU 37 1HD1 LEU 37 -19.920 -13.174 -1.575 277 HD12 LEU 37 2HD1 LEU 37 -18.430 -14.147 -1.572 278 HD13 LEU 37 3HD1 LEU 37 -18.442 -12.535 -0.819 279 HD21 LEU 37 1HD2 LEU 37 -17.525 -14.438 -3.322 280 HD22 LEU 37 2HD2 LEU 37 -18.187 -13.660 -4.780 281 HD23 LEU 37 3HD2 LEU 37 -16.660 -13.078 -4.075 282 H LYS 38 H LYS 38 -21.167 -12.147 -5.843 283 HA LYS 38 HA LYS 38 -22.329 -10.125 -7.381 284 HB2 LYS 38 1HB LYS 38 -22.480 -12.909 -7.180 285 HB3 LYS 38 2HB LYS 38 -24.102 -12.367 -6.802 286 HG2 LYS 38 1HG LYS 38 -24.420 -12.166 -9.045 287 HG3 LYS 38 2HG LYS 38 -23.417 -10.732 -8.959 288 HD2 LYS 38 1HD LYS 38 -21.720 -13.100 -9.019 289 HD3 LYS 38 2HD LYS 38 -22.860 -13.165 -10.348 290 HE2 LYS 38 1HE LYS 38 -21.225 -11.876 -11.366 291 HE3 LYS 38 2HE LYS 38 -22.149 -10.583 -10.628 292 HZ1 LYS 38 1HZ LYS 38 -19.650 -10.703 -10.232 293 HZ2 LYS 38 2HZ LYS 38 -20.613 -10.359 -8.958 294 HZ3 LYS 38 3HZ LYS 38 -19.995 -11.861 -9.133 295 H ASP 39 H ASP 39 -22.990 -11.378 -4.095 296 HA ASP 39 HA ASP 39 -25.450 -10.078 -3.841 297 HB2 ASP 39 1HB ASP 39 -24.107 -11.939 -2.384 298 HB3 ASP 39 2HB ASP 39 -23.702 -10.523 -1.434 299 H GLY 40 H GLY 40 -22.014 -9.271 -3.088 300 HA2 GLY 40 1HA GLY 40 -21.119 -7.139 -3.094 301 HA3 GLY 40 2HA GLY 40 -22.719 -6.442 -2.933 302 H SER 41 H SER 41 -20.924 -8.957 -1.010 303 HA SER 41 HA SER 41 -21.152 -7.155 1.260 304 HB2 SER 41 1HB SER 41 -22.091 -10.020 1.048 305 HB3 SER 41 2HB SER 41 -21.512 -9.427 2.592 306 HG SER 41 HG SER 41 -23.502 -7.990 1.075 307 H VAL 42 H VAL 42 -19.094 -8.477 -0.827 308 HA VAL 42 HA VAL 42 -16.966 -9.066 -0.813 309 HB VAL 42 HB VAL 42 -17.240 -7.721 1.848 310 HG11 VAL 42 1HG1 VAL 42 -15.486 -8.849 2.673 311 HG12 VAL 42 2HG1 VAL 42 -15.106 -9.582 1.096 312 HG13 VAL 42 3HG1 VAL 42 -14.502 -7.954 1.490 313 HG21 VAL 42 1HG2 VAL 42 -15.806 -6.043 0.818 314 HG22 VAL 42 2HG2 VAL 42 -15.592 -7.071 -0.619 315 HG23 VAL 42 3HG2 VAL 42 -17.193 -6.392 -0.241 316 HA PRO 43 HA PRO 43 -17.107 -13.095 0.789 317 HB2 PRO 43 1HB PRO 43 -14.782 -14.055 -0.280 318 HB3 PRO 43 2HB PRO 43 -16.287 -13.973 -1.175 319 HG2 PRO 43 1HG PRO 43 -13.902 -12.241 -1.396 320 HG3 PRO 43 2HG PRO 43 -15.215 -12.451 -2.537 321 HD2 PRO 43 1HD PRO 43 -14.823 -10.232 -0.763 322 HD3 PRO 43 2HD PRO 43 -16.195 -10.500 -1.820 323 H ARG 44 H ARG 44 -15.430 -14.796 1.822 324 HA ARG 44 HA ARG 44 -15.043 -14.051 4.298 325 HB2 ARG 44 1HB ARG 44 -13.954 -16.087 2.570 326 HB3 ARG 44 2HB ARG 44 -12.637 -15.497 3.563 327 HG2 ARG 44 1HG ARG 44 -15.170 -15.927 5.060 328 HG3 ARG 44 2HG ARG 44 -14.505 -17.388 4.358 329 HD2 ARG 44 1HD ARG 44 -12.380 -15.786 5.587 330 HD3 ARG 44 2HD ARG 44 -13.658 -16.102 6.744 331 HE ARG 44 HE ARG 44 -13.140 -18.546 5.390 332 HH11 ARG 44 2HH2 ARG 44 -11.482 -16.336 7.569 333 HH12 ARG 44 1HH2 ARG 44 -10.488 -17.570 8.270 334 HH21 ARG 44 2HH1 ARG 44 -11.829 -20.174 6.314 335 HH22 ARG 44 1HH1 ARG 44 -10.687 -19.767 7.551 336 H ASP 45 H ASP 45 -12.706 -13.443 1.597 337 HA ASP 45 HA ASP 45 -11.819 -11.088 2.853 338 HB2 ASP 45 1HB ASP 45 -9.580 -13.069 2.444 339 HB3 ASP 45 2HB ASP 45 -9.622 -11.657 3.481 340 H SER 46 H SER 46 -10.867 -13.806 0.622 341 HA SER 46 HA SER 46 -10.363 -13.867 -1.489 342 HB2 SER 46 1HB SER 46 -12.223 -12.775 -2.321 343 HB3 SER 46 2HB SER 46 -11.941 -11.330 -1.370 344 HG SER 46 HG SER 46 -10.225 -12.064 -3.574 345 H GLY 47 H GLY 47 -8.095 -13.851 -0.597 346 HA2 GLY 47 1HA GLY 47 -5.978 -13.084 -0.484 347 HA3 GLY 47 2HA GLY 47 -6.326 -12.386 -2.053 348 H ALA 48 H ALA 48 -5.948 -11.777 1.400 349 HA ALA 48 HA ALA 48 -7.008 -9.227 1.582 350 HB1 ALA 48 1HB ALA 48 -6.440 -10.068 3.639 351 HB2 ALA 48 2HB ALA 48 -4.977 -10.876 3.026 352 HB3 ALA 48 3HB ALA 48 -4.962 -9.124 3.338 353 H MET 49 H MET 49 -3.856 -10.409 0.331 354 HA MET 49 HA MET 49 -2.964 -7.707 -0.045 355 HB2 MET 49 1HB MET 49 -1.843 -10.495 -0.305 356 HB3 MET 49 2HB MET 49 -1.110 -9.277 -1.330 357 HG2 MET 49 1HG MET 49 -1.358 -8.062 1.239 358 HG3 MET 49 2HG MET 49 -0.788 -9.690 1.544 359 HE1 MET 49 1HE MET 49 1.211 -6.110 0.448 360 HE2 MET 49 2HE MET 49 0.638 -6.540 -1.182 361 HE3 MET 49 3HE MET 49 -0.515 -6.445 0.171 362 H LEU 50 H LEU 50 -5.372 -9.053 -1.520 363 HA LEU 50 HA LEU 50 -6.313 -8.835 -3.507 364 HB2 LEU 50 1HB LEU 50 -3.883 -7.157 -4.136 365 HB3 LEU 50 2HB LEU 50 -5.247 -7.354 -5.219 366 HG LEU 50 HG LEU 50 -5.192 -5.240 -3.825 367 HD11 LEU 50 1HD1 LEU 50 -7.232 -6.397 -4.951 368 HD12 LEU 50 2HD1 LEU 50 -7.724 -6.762 -3.279 369 HD13 LEU 50 3HD1 LEU 50 -7.499 -5.072 -3.792 370 HD21 LEU 50 1HD2 LEU 50 -6.080 -7.068 -1.580 371 HD22 LEU 50 2HD2 LEU 50 -4.451 -6.363 -1.722 372 HD23 LEU 50 3HD2 LEU 50 -5.867 -5.302 -1.526 373 H GLY 51 H GLY 51 -2.745 -9.212 -4.109 374 HA2 GLY 51 1HA GLY 51 -2.774 -11.882 -4.774 375 HA3 GLY 51 2HA GLY 51 -3.167 -11.039 -6.260 376 H LEU 52 H LEU 52 -1.611 -8.573 -5.469 377 HA LEU 52 HA LEU 52 1.007 -9.652 -6.172 378 HB2 LEU 52 1HB LEU 52 1.348 -7.803 -7.379 379 HB3 LEU 52 2HB LEU 52 -0.403 -7.743 -7.377 380 HG LEU 52 HG LEU 52 -0.113 -6.251 -5.253 381 HD11 LEU 52 1HD1 LEU 52 1.948 -5.770 -4.596 382 HD12 LEU 52 2HD1 LEU 52 2.620 -6.730 -5.935 383 HD13 LEU 52 3HD1 LEU 52 2.268 -5.001 -6.169 384 HD21 LEU 52 1HD2 LEU 52 -0.729 -4.577 -6.593 385 HD22 LEU 52 2HD2 LEU 52 0.788 -4.640 -7.523 386 HD23 LEU 52 3HD2 LEU 52 -0.550 -5.743 -7.927 387 H LYS 53 H LYS 53 2.948 -8.523 -5.166 388 HA LYS 53 HA LYS 53 2.350 -8.035 -2.332 389 HB2 LYS 53 1HB LYS 53 3.796 -10.096 -3.294 390 HB3 LYS 53 2HB LYS 53 5.071 -8.901 -3.175 391 HG2 LYS 53 1HG LYS 53 3.240 -9.040 -0.816 392 HG3 LYS 53 2HG LYS 53 4.225 -10.465 -1.078 393 HD2 LYS 53 1HD LYS 53 5.747 -7.944 -1.389 394 HD3 LYS 53 2HD LYS 53 5.052 -8.125 0.209 395 HE2 LYS 53 1HE LYS 53 6.875 -10.120 -1.215 396 HE3 LYS 53 2HE LYS 53 7.286 -9.144 0.181 397 HZ1 LYS 53 1HZ LYS 53 5.039 -10.452 0.924 398 HZ2 LYS 53 2HZ LYS 53 5.858 -11.581 0.074 399 HZ3 LYS 53 3HZ LYS 53 6.563 -10.851 1.354 400 H VAL 54 H VAL 54 2.967 -6.111 -1.441 401 HA VAL 54 HA VAL 54 4.553 -4.361 -3.191 402 HB VAL 54 HB VAL 54 2.399 -3.653 -1.189 403 HG11 VAL 54 1HG1 VAL 54 3.192 -1.571 -1.218 404 HG12 VAL 54 2HG1 VAL 54 4.536 -2.092 -2.262 405 HG13 VAL 54 3HG1 VAL 54 3.015 -1.519 -2.988 406 HG21 VAL 54 1HG2 VAL 54 2.401 -3.770 -4.217 407 HG22 VAL 54 2HG2 VAL 54 1.331 -4.626 -3.080 408 HG23 VAL 54 3HG2 VAL 54 1.191 -2.862 -3.278 409 H VAL 55 H VAL 55 6.207 -3.091 -2.221 410 HA VAL 55 HA VAL 55 6.779 -3.782 0.571 411 HB VAL 55 HB VAL 55 8.486 -4.079 -1.865 412 HG11 VAL 55 1HG1 VAL 55 10.004 -2.698 -0.840 413 HG12 VAL 55 2HG1 VAL 55 9.391 -3.047 0.794 414 HG13 VAL 55 3HG1 VAL 55 10.419 -4.235 -0.044 415 HG21 VAL 55 1HG2 VAL 55 7.905 -5.686 0.626 416 HG22 VAL 55 2HG2 VAL 55 7.636 -6.124 -1.078 417 HG23 VAL 55 3HG2 VAL 55 9.291 -6.058 -0.426 418 H GLY 56 H GLY 56 6.632 -1.927 1.717 419 HA2 GLY 56 1HA GLY 56 7.266 0.600 0.350 420 HA3 GLY 56 2HA GLY 56 6.301 0.402 1.800 421 H GLY 57 H GLY 57 8.031 2.285 2.239 422 HA2 GLY 57 1HA GLY 57 9.662 2.926 3.655 423 HA3 GLY 57 2HA GLY 57 9.806 1.268 4.204 424 H LYS 58 H LYS 58 10.044 1.480 0.771 425 HA LYS 58 HA LYS 58 12.756 0.671 0.837 426 HB2 LYS 58 1HB LYS 58 11.217 -0.195 -0.824 427 HB3 LYS 58 2HB LYS 58 10.902 1.413 -1.443 428 HG2 LYS 58 1HG LYS 58 12.761 1.364 -2.748 429 HG3 LYS 58 2HG LYS 58 13.779 0.921 -1.392 430 HD2 LYS 58 1HD LYS 58 14.031 -1.024 -2.604 431 HD3 LYS 58 2HD LYS 58 12.564 -1.471 -1.757 432 HE2 LYS 58 1HE LYS 58 11.326 -1.460 -3.674 433 HE3 LYS 58 2HE LYS 58 11.967 0.091 -4.178 434 HZ1 LYS 58 1HZ LYS 58 12.629 -1.621 -5.685 435 HZ2 LYS 58 2HZ LYS 58 13.958 -1.060 -4.920 436 HZ3 LYS 58 3HZ LYS 58 13.318 -2.500 -4.493 437 H MET 59 H MET 59 14.520 1.928 1.059 438 HA MET 59 HA MET 59 14.192 4.754 0.850 439 HB2 MET 59 1HB MET 59 15.708 3.168 2.451 440 HB3 MET 59 2HB MET 59 16.886 3.403 1.176 441 HG2 MET 59 1HG MET 59 17.408 5.270 2.439 442 HG3 MET 59 2HG MET 59 16.135 5.987 1.471 443 HE1 MET 59 1HE MET 59 15.362 7.588 2.513 444 HE2 MET 59 2HE MET 59 13.742 7.129 3.091 445 HE3 MET 59 3HE MET 59 14.938 7.793 4.230 446 H THR 60 H THR 60 14.254 5.762 -1.113 447 HA THR 60 HA THR 60 15.587 4.518 -3.335 448 HB THR 60 HB THR 60 14.623 6.467 -4.545 449 HG1 THR 60 1HG THR 60 14.457 8.258 -3.259 450 HG21 THR 60 1HG2 THR 60 12.631 5.347 -4.414 451 HG22 THR 60 2HG2 THR 60 13.033 4.728 -2.794 452 HG23 THR 60 3HG2 THR 60 12.265 6.324 -2.972 453 H GLU 61 H GLU 61 16.741 6.522 -4.770 454 HA GLU 61 HA GLU 61 19.193 6.749 -3.370 455 HB2 GLU 61 1HB GLU 61 20.067 7.639 -5.454 456 HB3 GLU 61 2HB GLU 61 19.012 6.292 -5.832 457 HG2 GLU 61 1HG GLU 61 17.128 8.080 -6.105 458 HG3 GLU 61 2HG GLU 61 18.421 9.262 -6.121 459 H SER 62 H SER 62 16.330 8.693 -3.721 460 HA SER 62 HA SER 62 17.791 11.105 -3.079 461 HB2 SER 62 1HB SER 62 15.124 10.454 -4.226 462 HB3 SER 62 2HB SER 62 15.123 11.820 -3.129 463 HG SER 62 HG SER 62 17.181 12.413 -4.532 464 H GLY 63 H GLY 63 17.092 8.561 -1.315 465 HA2 GLY 63 1HA GLY 63 16.752 8.219 0.882 466 HA3 GLY 63 2HA GLY 63 16.832 9.951 1.130 467 H ARG 64 H ARG 64 14.503 8.742 -1.225 468 HA ARG 64 HA ARG 64 12.420 9.577 0.590 469 HB2 ARG 64 1HB ARG 64 12.832 9.621 -2.314 470 HB3 ARG 64 2HB ARG 64 11.288 8.888 -1.930 471 HG2 ARG 64 1HG ARG 64 12.099 11.470 -0.563 472 HG3 ARG 64 2HG ARG 64 11.470 11.518 -2.198 473 HD2 ARG 64 1HD ARG 64 9.754 9.780 -0.661 474 HD3 ARG 64 2HD ARG 64 10.003 11.239 0.277 475 HE ARG 64 HE ARG 64 8.492 11.016 -2.189 476 HH11 ARG 64 2HH2 ARG 64 10.503 13.224 -0.326 477 HH12 ARG 64 1HH2 ARG 64 9.791 14.649 -1.006 478 HH21 ARG 64 2HH1 ARG 64 7.553 12.896 -3.086 479 HH22 ARG 64 1HH1 ARG 64 8.101 14.461 -2.587 480 H LEU 65 H LEU 65 10.395 8.234 0.755 481 HA LEU 65 HA LEU 65 11.027 5.385 0.409 482 HB2 LEU 65 1HB LEU 65 9.277 6.678 2.504 483 HB3 LEU 65 2HB LEU 65 9.608 4.965 2.342 484 HG LEU 65 HG LEU 65 11.759 7.028 2.877 485 HD11 LEU 65 1HD1 LEU 65 10.785 5.229 5.045 486 HD12 LEU 65 2HD1 LEU 65 11.491 6.861 5.131 487 HD13 LEU 65 3HD1 LEU 65 9.796 6.650 4.631 488 HD21 LEU 65 1HD2 LEU 65 13.135 5.340 2.442 489 HD22 LEU 65 2HD2 LEU 65 12.495 4.524 3.888 490 HD23 LEU 65 3HD2 LEU 65 11.781 4.194 2.291 491 H CYS 66 H CYS 66 9.575 4.099 -0.690 492 HA CYS 66 HA CYS 66 6.921 5.032 -1.162 493 HB2 CYS 66 1HB CYS 66 8.616 6.134 -2.919 494 HB3 CYS 66 2HB CYS 66 8.407 4.588 -3.719 495 HG CYS 66 HG CYS 66 6.784 6.704 -4.501 496 H ALA 67 H ALA 67 5.614 3.277 -2.132 497 HA ALA 67 HA ALA 67 6.843 0.691 -1.622 498 HB1 ALA 67 1HB ALA 67 4.221 1.895 -1.356 499 HB2 ALA 67 2HB ALA 67 4.118 0.424 -2.353 500 HB3 ALA 67 3HB ALA 67 4.816 0.343 -0.718 501 H PHE 68 H PHE 68 7.358 -0.774 -3.204 502 HA PHE 68 HA PHE 68 6.478 -0.092 -5.920 503 HB2 PHE 68 1HB PHE 68 9.148 -1.292 -4.971 504 HB3 PHE 68 2HB PHE 68 8.763 -0.863 -6.626 505 HD1 PHE 68 2HD PHE 68 8.457 1.564 -7.217 506 HD2 PHE 68 1HD PHE 68 9.982 0.324 -3.456 507 HE1 PHE 68 2HE PHE 68 9.395 3.861 -6.840 508 HE2 PHE 68 1HE PHE 68 10.920 2.621 -3.079 509 HZ PHE 68 HZ PHE 68 10.616 4.362 -4.775 510 H ILE 69 H ILE 69 5.777 -1.803 -7.205 511 HA ILE 69 HA ILE 69 4.964 -4.134 -5.882 512 HB ILE 69 HB ILE 69 5.178 -3.500 -8.828 513 HG12 ILE 69 1HG1 ILE 69 2.832 -3.244 -6.923 514 HG13 ILE 69 2HG1 ILE 69 3.795 -1.911 -7.527 515 HG21 ILE 69 1HG2 ILE 69 4.817 -5.990 -7.744 516 HG22 ILE 69 2HG2 ILE 69 3.141 -5.421 -7.937 517 HG23 ILE 69 3HG2 ILE 69 4.234 -5.463 -9.341 518 HD11 ILE 69 1HD1 ILE 69 2.070 -1.885 -9.085 519 HD12 ILE 69 2HD1 ILE 69 3.195 -2.993 -9.908 520 HD13 ILE 69 3HD1 ILE 69 1.817 -3.645 -8.988 521 H THR 70 H THR 70 5.927 -6.088 -5.547 522 HA THR 70 HA THR 70 8.635 -6.379 -6.655 523 HB THR 70 HB THR 70 9.099 -7.667 -4.660 524 HG1 THR 70 1HG THR 70 6.229 -7.403 -4.139 525 HG21 THR 70 1HG2 THR 70 9.014 -5.898 -3.217 526 HG22 THR 70 2HG2 THR 70 8.001 -5.042 -4.404 527 HG23 THR 70 3HG2 THR 70 7.240 -6.020 -3.126 528 H LYS 71 H LYS 71 5.472 -8.022 -6.200 529 HA LYS 71 HA LYS 71 6.087 -9.625 -8.520 530 HB2 LYS 71 1HB LYS 71 6.502 -10.677 -5.897 531 HB3 LYS 71 2HB LYS 71 5.084 -11.460 -6.564 532 HG2 LYS 71 1HG LYS 71 6.479 -11.808 -8.726 533 HG3 LYS 71 2HG LYS 71 7.875 -11.334 -7.779 534 HD2 LYS 71 1HD LYS 71 8.020 -13.408 -6.879 535 HD3 LYS 71 2HD LYS 71 6.389 -13.284 -6.251 536 HE2 LYS 71 1HE LYS 71 5.423 -14.249 -8.211 537 HE3 LYS 71 2HE LYS 71 6.848 -13.935 -9.182 538 HZ1 LYS 71 1HZ LYS 71 7.779 -15.803 -8.481 539 HZ2 LYS 71 2HZ LYS 71 7.376 -15.574 -6.916 540 HZ3 LYS 71 3HZ LYS 71 6.301 -16.245 -7.945 541 H VAL 72 H VAL 72 4.103 -10.828 -9.267 542 HA VAL 72 HA VAL 72 1.643 -9.769 -8.122 543 HB VAL 72 HB VAL 72 2.268 -9.583 -11.071 544 HG11 VAL 72 1HG1 VAL 72 0.243 -8.297 -11.229 545 HG12 VAL 72 2HG1 VAL 72 -0.131 -9.805 -10.361 546 HG13 VAL 72 3HG1 VAL 72 0.051 -8.281 -9.460 547 HG21 VAL 72 1HG2 VAL 72 3.714 -7.970 -10.235 548 HG22 VAL 72 2HG2 VAL 72 2.222 -7.034 -10.491 549 HG23 VAL 72 3HG2 VAL 72 2.658 -7.584 -8.856 550 H LYS 73 H LYS 73 0.478 -11.552 -7.639 551 HA LYS 73 HA LYS 73 1.054 -14.076 -8.623 552 HB2 LYS 73 1HB LYS 73 -0.169 -13.527 -6.516 553 HB3 LYS 73 2HB LYS 73 -1.569 -13.083 -7.470 554 HG2 LYS 73 1HG LYS 73 -1.917 -15.368 -6.804 555 HG3 LYS 73 2HG LYS 73 -1.503 -15.419 -8.506 556 HD2 LYS 73 1HD LYS 73 0.870 -15.943 -7.917 557 HD3 LYS 73 2HD LYS 73 0.465 -15.880 -6.213 558 HE2 LYS 73 1HE LYS 73 -1.331 -17.701 -6.768 559 HE3 LYS 73 2HE LYS 73 -0.478 -17.900 -8.285 560 HZ1 LYS 73 1HZ LYS 73 0.357 -18.602 -5.629 561 HZ2 LYS 73 2HZ LYS 73 0.716 -19.310 -7.057 562 HZ3 LYS 73 3HZ LYS 73 1.530 -17.977 -6.578 563 H LYS 74 H LYS 74 0.925 -14.802 -10.673 564 HA LYS 74 HA LYS 74 -0.628 -13.446 -12.609 565 HB2 LYS 74 1HB LYS 74 1.550 -14.668 -12.984 566 HB3 LYS 74 2HB LYS 74 0.671 -16.175 -12.825 567 HG2 LYS 74 1HG LYS 74 -0.804 -14.498 -14.650 568 HG3 LYS 74 2HG LYS 74 0.879 -14.455 -15.137 569 HD2 LYS 74 1HD LYS 74 0.574 -17.146 -14.618 570 HD3 LYS 74 2HD LYS 74 -1.043 -16.738 -15.156 571 HE2 LYS 74 1HE LYS 74 0.125 -15.534 -17.161 572 HE3 LYS 74 2HE LYS 74 1.571 -16.398 -16.678 573 HZ1 LYS 74 1HZ LYS 74 -0.609 -18.154 -16.748 574 HZ2 LYS 74 2HZ LYS 74 -0.507 -17.364 -18.174 575 HZ3 LYS 74 3HZ LYS 74 0.775 -18.207 -17.614 576 H GLY 75 H GLY 75 -2.822 -13.423 -12.392 577 HA2 GLY 75 1HA GLY 75 -4.779 -14.640 -13.023 578 HA3 GLY 75 2HA GLY 75 -4.136 -16.062 -12.227 579 H SER 76 H SER 76 -4.201 -12.637 -11.051 580 HA SER 76 HA SER 76 -6.159 -13.454 -9.080 581 HB2 SER 76 1HB SER 76 -3.330 -12.822 -8.550 582 HB3 SER 76 2HB SER 76 -4.417 -11.803 -7.627 583 HG SER 76 HG SER 76 -4.422 -13.508 -6.304 584 H LEU 77 H LEU 77 -6.814 -11.334 -7.737 585 HA LEU 77 HA LEU 77 -8.055 -9.594 -9.355 586 HB2 LEU 77 1HB LEU 77 -7.026 -9.438 -6.565 587 HB3 LEU 77 2HB LEU 77 -7.616 -7.960 -7.300 588 HG LEU 77 HG LEU 77 -9.338 -10.411 -7.424 589 HD11 LEU 77 1HD1 LEU 77 -8.319 -9.484 -4.978 590 HD12 LEU 77 2HD1 LEU 77 -9.974 -8.838 -5.088 591 HD13 LEU 77 3HD1 LEU 77 -9.690 -10.589 -5.241 592 HD21 LEU 77 1HD2 LEU 77 -10.197 -7.572 -6.907 593 HD22 LEU 77 2HD2 LEU 77 -9.802 -8.135 -8.549 594 HD23 LEU 77 3HD2 LEU 77 -11.111 -8.917 -7.630 595 H ALA 78 H ALA 78 -4.983 -8.645 -7.657 596 HA ALA 78 HA ALA 78 -4.551 -6.540 -9.519 597 HB1 ALA 78 1HB ALA 78 -3.398 -5.872 -7.709 598 HB2 ALA 78 2HB ALA 78 -3.493 -7.498 -6.990 599 HB3 ALA 78 3HB ALA 78 -2.167 -7.095 -8.106 600 H ASP 79 H ASP 79 -4.818 -8.086 -11.449 601 HA ASP 79 HA ASP 79 -2.378 -8.396 -12.643 602 HB2 ASP 79 1HB ASP 79 -2.473 -10.387 -10.865 603 HB3 ASP 79 2HB ASP 79 -3.507 -11.144 -12.061 604 H THR 80 H THR 80 -5.564 -10.118 -12.236 605 HA THR 80 HA THR 80 -5.902 -10.313 -15.102 606 HB THR 80 HB THR 80 -7.868 -11.632 -14.465 607 HG1 THR 80 1HG THR 80 -7.247 -10.865 -11.724 608 HG21 THR 80 1HG2 THR 80 -6.875 -13.038 -12.468 609 HG22 THR 80 2HG2 THR 80 -5.996 -13.043 -14.016 610 HG23 THR 80 3HG2 THR 80 -5.434 -12.014 -12.677 611 H VAL 81 H VAL 81 -7.184 -8.387 -12.361 612 HA VAL 81 HA VAL 81 -8.780 -6.889 -14.308 613 HB VAL 81 HB VAL 81 -9.853 -5.967 -12.232 614 HG11 VAL 81 1HG1 VAL 81 -10.379 -8.823 -11.908 615 HG12 VAL 81 2HG1 VAL 81 -11.439 -7.524 -12.506 616 HG13 VAL 81 3HG1 VAL 81 -10.310 -8.335 -13.618 617 HG21 VAL 81 1HG2 VAL 81 -8.526 -8.272 -10.789 618 HG22 VAL 81 2HG2 VAL 81 -7.872 -6.617 -10.754 619 HG23 VAL 81 3HG2 VAL 81 -9.498 -6.945 -10.107 620 H GLY 82 H GLY 82 -6.187 -6.679 -11.840 621 HA2 GLY 82 1HA GLY 82 -5.924 -3.825 -12.076 622 HA3 GLY 82 2HA GLY 82 -4.877 -4.934 -11.212 623 H HIS 83 H HIS 83 -4.163 -6.757 -13.282 624 HA HIS 83 HA HIS 83 -2.785 -7.031 -14.969 625 HB2 HIS 83 1HB HIS 83 -3.558 -4.246 -15.879 626 HB3 HIS 83 2HB HIS 83 -2.748 -5.464 -16.844 627 HD1 HIS 83 1HD HIS 83 -4.223 -7.751 -17.266 628 HD2 HIS 83 2HD HIS 83 -6.303 -4.335 -16.001 629 HE1 HIS 83 1HE HIS 83 -6.679 -8.165 -17.817 630 H LEU 84 H LEU 84 -2.161 -5.513 -12.333 631 HA LEU 84 HA LEU 84 -0.097 -3.702 -12.875 632 HB2 LEU 84 1HB LEU 84 -0.596 -5.425 -10.443 633 HB3 LEU 84 2HB LEU 84 0.505 -4.063 -10.516 634 HG LEU 84 HG LEU 84 -2.333 -3.552 -11.278 635 HD11 LEU 84 1HD1 LEU 84 -3.287 -3.795 -9.243 636 HD12 LEU 84 2HD1 LEU 84 -2.032 -5.044 -9.061 637 HD13 LEU 84 3HD1 LEU 84 -1.784 -3.425 -8.365 638 HD21 LEU 84 1HD2 LEU 84 -0.264 -2.002 -9.697 639 HD22 LEU 84 2HD2 LEU 84 -0.714 -1.751 -11.401 640 HD23 LEU 84 3HD2 LEU 84 -1.897 -1.425 -10.111 641 H ARG 85 H ARG 85 2.259 -4.192 -12.018 642 HA ARG 85 HA ARG 85 3.061 -6.869 -12.626 643 HB2 ARG 85 1HB ARG 85 3.586 -4.530 -14.445 644 HB3 ARG 85 2HB ARG 85 4.926 -5.629 -14.185 645 HG2 ARG 85 1HG ARG 85 3.980 -7.251 -15.475 646 HG3 ARG 85 2HG ARG 85 2.434 -7.107 -14.660 647 HD2 ARG 85 1HD ARG 85 1.575 -5.671 -16.247 648 HD3 ARG 85 2HD ARG 85 3.088 -4.808 -16.440 649 HE ARG 85 HE ARG 85 3.694 -7.220 -17.583 650 HH11 ARG 85 2HH2 ARG 85 0.955 -5.049 -18.000 651 HH12 ARG 85 1HH2 ARG 85 0.675 -5.513 -19.645 652 HH21 ARG 85 2HH1 ARG 85 3.324 -7.831 -19.754 653 HH22 ARG 85 1HH1 ARG 85 2.031 -7.106 -20.650 654 HA PRO 86 HA PRO 86 6.149 -5.711 -9.772 655 HB2 PRO 86 1HB PRO 86 8.121 -7.536 -10.268 656 HB3 PRO 86 2HB PRO 86 6.690 -7.904 -9.327 657 HG2 PRO 86 1HG PRO 86 7.341 -8.702 -12.097 658 HG3 PRO 86 2HG PRO 86 6.154 -9.389 -11.008 659 HD2 PRO 86 1HD PRO 86 5.642 -7.632 -13.216 660 HD3 PRO 86 2HD PRO 86 4.470 -8.227 -12.057 661 H GLY 87 H GLY 87 7.069 -3.763 -9.830 662 HA2 GLY 87 1HA GLY 87 9.455 -3.057 -10.455 663 HA3 GLY 87 2HA GLY 87 8.893 -3.300 -12.097 664 H ASP 88 H ASP 88 6.074 -2.438 -10.737 665 HA ASP 88 HA ASP 88 6.385 0.260 -11.604 666 HB2 ASP 88 1HB ASP 88 4.215 -1.642 -11.144 667 HB3 ASP 88 2HB ASP 88 3.833 -0.110 -10.383 668 H GLU 89 H GLU 89 4.985 1.922 -10.050 669 HA GLU 89 HA GLU 89 5.826 1.397 -7.310 670 HB2 GLU 89 1HB GLU 89 7.425 2.974 -8.316 671 HB3 GLU 89 2HB GLU 89 6.119 4.010 -8.856 672 HG2 GLU 89 1HG GLU 89 5.432 4.358 -6.458 673 HG3 GLU 89 2HG GLU 89 6.782 3.366 -5.943 674 H VAL 90 H VAL 90 4.026 1.287 -6.046 675 HA VAL 90 HA VAL 90 1.581 2.478 -6.979 676 HB VAL 90 HB VAL 90 1.437 0.314 -6.045 677 HG11 VAL 90 1HG1 VAL 90 3.015 -0.364 -4.615 678 HG12 VAL 90 2HG1 VAL 90 3.439 1.311 -4.186 679 HG13 VAL 90 3HG1 VAL 90 2.114 0.481 -3.334 680 HG21 VAL 90 1HG2 VAL 90 0.090 0.808 -3.855 681 HG22 VAL 90 2HG2 VAL 90 0.347 2.512 -4.303 682 HG23 VAL 90 3HG2 VAL 90 -0.506 1.417 -5.418 683 H LEU 91 H LEU 91 1.626 4.707 -6.879 684 HA LEU 91 HA LEU 91 2.925 6.139 -4.862 685 HB2 LEU 91 1HB LEU 91 0.815 6.799 -6.896 686 HB3 LEU 91 2HB LEU 91 1.328 7.985 -5.712 687 HG LEU 91 HG LEU 91 2.419 7.886 -8.097 688 HD11 LEU 91 1HD1 LEU 91 3.171 9.570 -6.707 689 HD12 LEU 91 2HD1 LEU 91 3.730 8.437 -5.453 690 HD13 LEU 91 3HD1 LEU 91 4.651 8.614 -6.966 691 HD21 LEU 91 1HD2 LEU 91 3.047 5.515 -7.985 692 HD22 LEU 91 2HD2 LEU 91 4.463 6.569 -8.208 693 HD23 LEU 91 3HD2 LEU 91 4.120 5.866 -6.609 694 H GLU 92 H GLU 92 -0.634 5.560 -5.355 695 HA GLU 92 HA GLU 92 -0.869 5.899 -2.466 696 HB2 GLU 92 1HB GLU 92 -2.759 6.644 -4.724 697 HB3 GLU 92 2HB GLU 92 -3.329 6.486 -3.075 698 HG2 GLU 92 1HG GLU 92 -2.705 8.844 -3.647 699 HG3 GLU 92 2HG GLU 92 -1.778 8.216 -2.299 700 H TRP 93 H TRP 93 -3.043 4.747 -1.655 701 HA TRP 93 HA TRP 93 -3.585 2.311 -3.123 702 HB2 TRP 93 1HB TRP 93 -1.635 1.626 -1.910 703 HB3 TRP 93 2HB TRP 93 -2.248 2.307 -0.415 704 HD1 TRP 93 HD TRP 93 -4.643 1.001 0.508 705 HE1 TRP 93 1HE TRP 93 -5.273 -1.561 0.555 706 HE3 TRP 93 3HE TRP 93 -1.293 -0.426 -3.041 707 HZ2 TRP 93 2HZ TRP 93 -4.321 -3.846 -0.865 708 HZ3 TRP 93 3HZ TRP 93 -1.207 -2.841 -3.653 709 HH2 TRP 93 HH TRP 93 -2.650 -4.527 -2.628 710 H ASN 94 H ASN 94 -5.737 3.068 -3.307 711 HA ASN 94 HA ASN 94 -7.821 3.147 -2.667 712 HB2 ASN 94 1HB ASN 94 -6.651 1.766 -0.460 713 HB3 ASN 94 2HB ASN 94 -7.630 3.028 0.260 714 HD21 ASN 94 1HD2 ASN 94 -8.033 0.180 0.313 715 HD22 ASN 94 2HD2 ASN 94 -9.575 -0.161 -0.400 716 H GLY 95 H GLY 95 -5.608 5.345 -2.397 717 HA2 GLY 95 1HA GLY 95 -6.192 7.645 -2.291 718 HA3 GLY 95 2HA GLY 95 -7.301 7.300 -0.980 719 H ARG 96 H ARG 96 -4.813 5.302 -0.213 720 HA ARG 96 HA ARG 96 -3.777 7.235 1.629 721 HB2 ARG 96 1HB ARG 96 -3.648 4.225 1.334 722 HB3 ARG 96 2HB ARG 96 -2.432 5.011 2.321 723 HG2 ARG 96 1HG ARG 96 -5.196 5.960 2.857 724 HG3 ARG 96 2HG ARG 96 -4.960 4.257 3.196 725 HD2 ARG 96 1HD ARG 96 -3.964 4.826 5.156 726 HD3 ARG 96 2HD ARG 96 -2.651 5.547 4.246 727 HE ARG 96 HE ARG 96 -3.562 7.687 4.629 728 HH11 ARG 96 2HH2 ARG 96 -5.882 5.210 5.559 729 HH12 ARG 96 1HH2 ARG 96 -6.951 6.324 6.343 730 HH21 ARG 96 2HH1 ARG 96 -4.972 9.158 5.663 731 HH22 ARG 96 1HH1 ARG 96 -6.430 8.585 6.403 732 H LEU 97 H LEU 97 -1.877 8.346 1.276 733 HA LEU 97 HA LEU 97 -0.321 7.731 -1.035 734 HB2 LEU 97 1HB LEU 97 -0.845 10.019 -0.224 735 HB3 LEU 97 2HB LEU 97 0.171 9.732 1.174 736 HG LEU 97 HG LEU 97 1.891 9.126 -0.879 737 HD11 LEU 97 1HD1 LEU 97 1.534 10.286 -2.770 738 HD12 LEU 97 2HD1 LEU 97 -0.169 10.239 -2.256 739 HD13 LEU 97 3HD1 LEU 97 0.824 11.676 -1.914 740 HD21 LEU 97 1HD2 LEU 97 1.559 11.915 0.237 741 HD22 LEU 97 2HD2 LEU 97 2.201 10.555 1.189 742 HD23 LEU 97 3HD2 LEU 97 3.054 11.096 -0.277 743 H LEU 98 H LEU 98 1.434 6.433 -1.194 744 HA LEU 98 HA LEU 98 2.404 5.259 1.289 745 HB2 LEU 98 1HB LEU 98 2.986 4.467 -1.565 746 HB3 LEU 98 2HB LEU 98 3.380 3.563 -0.117 747 HG LEU 98 HG LEU 98 0.629 4.091 -1.260 748 HD11 LEU 98 1HD1 LEU 98 2.212 2.264 -2.185 749 HD12 LEU 98 2HD1 LEU 98 1.842 1.402 -0.673 750 HD13 LEU 98 3HD1 LEU 98 0.529 1.834 -1.795 751 HD21 LEU 98 1HD2 LEU 98 1.403 3.548 1.491 752 HD22 LEU 98 2HD2 LEU 98 -0.179 3.997 0.811 753 HD23 LEU 98 3HD2 LEU 98 0.327 2.291 0.836 754 H GLN 99 H GLN 99 3.158 7.723 -1.017 755 HA GLN 99 HA GLN 99 5.915 7.554 -1.017 756 HB2 GLN 99 1HB GLN 99 3.887 9.706 -1.547 757 HB3 GLN 99 2HB GLN 99 5.551 10.211 -1.334 758 HG2 GLN 99 1HG GLN 99 6.195 8.412 -3.064 759 HG3 GLN 99 2HG GLN 99 4.482 8.223 -3.384 760 HE21 GLN 99 1HE2 GLN 99 6.397 9.035 -5.263 761 HE22 GLN 99 2HE2 GLN 99 6.052 10.651 -5.782 762 H GLY 100 H GLY 100 7.381 7.789 0.612 763 HA2 GLY 100 1HA GLY 100 8.380 8.907 2.366 764 HA3 GLY 100 2HA GLY 100 6.893 9.776 2.690 765 H ALA 101 H ALA 101 5.233 7.234 2.539 766 HA ALA 101 HA ALA 101 5.228 6.631 5.251 767 HB1 ALA 101 1HB ALA 101 3.771 4.690 4.460 768 HB2 ALA 101 2HB ALA 101 3.255 6.310 3.934 769 HB3 ALA 101 3HB ALA 101 4.104 5.234 2.798 770 H THR 102 H THR 102 6.033 4.878 6.469 771 HA THR 102 HA THR 102 8.442 3.720 5.376 772 HB THR 102 HB THR 102 8.923 3.250 7.656 773 HG1 THR 102 1HG THR 102 6.025 3.488 8.048 774 HG21 THR 102 1HG2 THR 102 6.811 5.313 8.284 775 HG22 THR 102 2HG2 THR 102 8.501 5.230 8.835 776 HG23 THR 102 3HG2 THR 102 8.128 5.791 7.188 777 H PHE 103 H PHE 103 8.857 1.301 5.944 778 HA PHE 103 HA PHE 103 7.387 -0.229 4.261 779 HB2 PHE 103 1HB PHE 103 9.564 -0.864 5.282 780 HB3 PHE 103 2HB PHE 103 8.857 -0.864 6.885 781 HD1 PHE 103 1HD PHE 103 9.026 -2.681 3.690 782 HD2 PHE 103 2HD PHE 103 7.635 -2.757 7.698 783 HE1 PHE 103 1HE PHE 103 8.535 -5.133 3.473 784 HE2 PHE 103 2HE PHE 103 7.144 -5.209 7.481 785 HZ PHE 103 HZ PHE 103 7.600 -6.368 5.371 786 H GLU 104 H GLU 104 6.868 0.250 7.809 787 HA GLU 104 HA GLU 104 4.789 -1.612 7.951 788 HB2 GLU 104 1HB GLU 104 5.579 0.729 9.731 789 HB3 GLU 104 2HB GLU 104 4.278 -0.372 10.141 790 HG2 GLU 104 1HG GLU 104 5.713 -2.089 10.670 791 HG3 GLU 104 2HG GLU 104 6.797 -1.734 9.340 792 H GLU 105 H GLU 105 4.737 2.031 7.979 793 HA GLU 105 HA GLU 105 2.133 2.486 8.022 794 HB2 GLU 105 1HB GLU 105 4.410 3.821 6.589 795 HB3 GLU 105 2HB GLU 105 2.792 4.363 6.188 796 HG2 GLU 105 1HG GLU 105 2.411 4.517 8.773 797 HG3 GLU 105 2HG GLU 105 4.154 4.392 8.908 798 H VAL 106 H VAL 106 3.989 1.860 4.953 799 HA VAL 106 HA VAL 106 1.847 1.903 3.234 800 HB VAL 106 HB VAL 106 4.424 0.329 3.206 801 HG11 VAL 106 1HG1 VAL 106 3.347 0.797 0.573 802 HG12 VAL 106 2HG1 VAL 106 3.810 -0.737 1.347 803 HG13 VAL 106 3HG1 VAL 106 2.164 -0.095 1.558 804 HG21 VAL 106 1HG2 VAL 106 5.214 2.074 1.712 805 HG22 VAL 106 2HG2 VAL 106 3.619 2.863 1.738 806 HG23 VAL 106 3HG2 VAL 106 4.608 2.806 3.217 807 H TYR 107 H TYR 107 3.235 -0.897 5.074 808 HA TYR 107 HA TYR 107 1.465 -2.807 4.100 809 HB2 TYR 107 1HB TYR 107 3.658 -2.892 5.573 810 HB3 TYR 107 2HB TYR 107 2.617 -2.546 6.939 811 HD1 TYR 107 2HD TYR 107 0.370 -4.185 6.867 812 HD2 TYR 107 1HD TYR 107 4.270 -5.111 5.373 813 HE1 TYR 107 2HE TYR 107 -0.117 -6.668 7.117 814 HE2 TYR 107 1HE TYR 107 3.771 -7.591 5.628 815 HH TYR 107 HH TYR 107 1.179 -8.910 5.660 816 H ASN 108 H ASN 108 1.314 -0.873 7.177 817 HA ASN 108 HA ASN 108 -0.872 -1.844 8.280 818 HB2 ASN 108 1HB ASN 108 0.186 0.969 7.998 819 HB3 ASN 108 2HB ASN 108 -1.412 0.793 8.696 820 HD21 ASN 108 1HD2 ASN 108 1.968 0.401 9.112 821 HD22 ASN 108 2HD2 ASN 108 1.981 -0.170 10.748 822 H ILE 109 H ILE 109 -0.779 0.673 5.650 823 HA ILE 109 HA ILE 109 -3.443 1.165 5.378 824 HB ILE 109 HB ILE 109 -1.286 0.991 3.274 825 HG12 ILE 109 1HG1 ILE 109 -2.333 3.575 4.320 826 HG13 ILE 109 2HG1 ILE 109 -1.329 2.635 5.407 827 HG21 ILE 109 1HG2 ILE 109 -2.677 1.755 1.683 828 HG22 ILE 109 2HG2 ILE 109 -3.940 1.021 2.701 829 HG23 ILE 109 3HG2 ILE 109 -3.602 2.765 2.821 830 HD11 ILE 109 1HD1 ILE 109 0.498 3.401 4.316 831 HD12 ILE 109 2HD1 ILE 109 -0.039 2.517 2.867 832 HD13 ILE 109 3HD1 ILE 109 -0.529 4.211 3.108 833 H ILE 110 H ILE 110 -1.665 -1.152 3.214 834 HA ILE 110 HA ILE 110 -3.769 -2.338 2.056 835 HB ILE 110 HB ILE 110 -1.130 -3.440 2.972 836 HG12 ILE 110 1HG1 ILE 110 -1.677 -3.387 0.121 837 HG13 ILE 110 2HG1 ILE 110 -1.945 -1.809 0.833 838 HG21 ILE 110 1HG2 ILE 110 -2.771 -5.298 2.946 839 HG22 ILE 110 2HG2 ILE 110 -3.135 -4.917 1.246 840 HG23 ILE 110 3HG2 ILE 110 -1.503 -5.459 1.707 841 HD11 ILE 110 1HD1 ILE 110 0.571 -3.482 1.269 842 HD12 ILE 110 2HD1 ILE 110 0.428 -2.149 0.098 843 HD13 ILE 110 3HD1 ILE 110 0.297 -1.819 1.842 844 H LEU 111 H LEU 111 -2.728 -2.676 5.435 845 HA LEU 111 HA LEU 111 -4.317 -4.964 5.962 846 HB2 LEU 111 1HB LEU 111 -2.387 -3.372 7.291 847 HB3 LEU 111 2HB LEU 111 -3.823 -3.375 8.296 848 HG LEU 111 HG LEU 111 -2.149 -5.722 7.410 849 HD11 LEU 111 1HD1 LEU 111 -1.225 -5.314 9.397 850 HD12 LEU 111 2HD1 LEU 111 -2.526 -4.194 9.868 851 HD13 LEU 111 3HD1 LEU 111 -2.731 -5.946 10.106 852 HD21 LEU 111 1HD2 LEU 111 -4.104 -6.817 7.101 853 HD22 LEU 111 2HD2 LEU 111 -4.039 -6.945 8.875 854 HD23 LEU 111 3HD2 LEU 111 -5.034 -5.683 8.110 855 H GLU 112 H GLU 112 -4.702 -1.481 6.945 856 HA GLU 112 HA GLU 112 -7.202 -1.727 7.957 857 HB2 GLU 112 1HB GLU 112 -6.013 0.634 6.433 858 HB3 GLU 112 2HB GLU 112 -7.435 0.728 7.452 859 HG2 GLU 112 1HG GLU 112 -5.602 -0.524 9.135 860 HG3 GLU 112 2HG GLU 112 -4.574 0.561 8.220 861 H SER 113 H SER 113 -6.173 -1.969 4.630 862 HA SER 113 HA SER 113 -8.843 -1.435 3.671 863 HB2 SER 113 1HB SER 113 -7.906 -1.347 1.499 864 HB3 SER 113 2HB SER 113 -6.672 -0.633 2.518 865 HG SER 113 HG SER 113 -6.733 -3.299 1.408 866 H LYS 114 H LYS 114 -8.117 -3.795 5.436 867 HA LYS 114 HA LYS 114 -8.133 -6.082 3.734 868 HB2 LYS 114 1HB LYS 114 -8.071 -5.515 6.644 869 HB3 LYS 114 2HB LYS 114 -8.828 -7.027 6.187 870 HG2 LYS 114 1HG LYS 114 -6.278 -6.427 4.757 871 HG3 LYS 114 2HG LYS 114 -6.109 -6.675 6.484 872 HD2 LYS 114 1HD LYS 114 -7.587 -8.608 4.638 873 HD3 LYS 114 2HD LYS 114 -5.900 -8.789 5.077 874 HE2 LYS 114 1HE LYS 114 -7.441 -8.360 7.498 875 HE3 LYS 114 2HE LYS 114 -8.212 -9.626 6.564 876 HZ1 LYS 114 1HZ LYS 114 -6.185 -10.816 6.499 877 HZ2 LYS 114 2HZ LYS 114 -5.338 -9.588 7.163 878 HZ3 LYS 114 3HZ LYS 114 -6.440 -10.397 8.056 879 HA PRO 115 HA PRO 115 -12.693 -6.021 4.985 880 HB2 PRO 115 1HB PRO 115 -13.751 -3.806 6.185 881 HB3 PRO 115 2HB PRO 115 -13.203 -5.210 7.078 882 HG2 PRO 115 1HG PRO 115 -11.899 -2.573 6.789 883 HG3 PRO 115 2HG PRO 115 -11.605 -3.817 7.987 884 HD2 PRO 115 1HD PRO 115 -9.974 -3.211 5.707 885 HD3 PRO 115 2HD PRO 115 -9.744 -4.528 6.839 886 H GLU 116 H GLU 116 -11.341 -3.003 3.924 887 HA GLU 116 HA GLU 116 -13.311 -1.851 2.613 888 HB2 GLU 116 1HB GLU 116 -10.415 -2.277 1.914 889 HB3 GLU 116 2HB GLU 116 -11.439 -1.526 0.707 890 HG2 GLU 116 1HG GLU 116 -12.209 -0.113 2.934 891 HG3 GLU 116 2HG GLU 116 -10.548 -0.476 3.361 892 HA PRO 117 HA PRO 117 -14.823 -4.718 -0.292 893 HB2 PRO 117 1HB PRO 117 -16.480 -3.076 -1.715 894 HB3 PRO 117 2HB PRO 117 -16.936 -3.808 -0.190 895 HG2 PRO 117 1HG PRO 117 -16.167 -1.008 -0.745 896 HG3 PRO 117 2HG PRO 117 -17.019 -1.658 0.641 897 HD2 PRO 117 1HD PRO 117 -14.263 -0.870 0.536 898 HD3 PRO 117 2HD PRO 117 -15.086 -1.626 1.885 899 H GLN 118 H GLN 118 -13.400 -1.731 -1.361 900 HA GLN 118 HA GLN 118 -12.388 -3.250 -3.625 901 HB2 GLN 118 1HB GLN 118 -12.936 -1.602 -5.197 902 HB3 GLN 118 2HB GLN 118 -14.345 -1.586 -4.154 903 HG2 GLN 118 1HG GLN 118 -12.939 0.250 -2.807 904 HG3 GLN 118 2HG GLN 118 -12.094 0.425 -4.333 905 HE21 GLN 118 1HE2 GLN 118 -13.608 0.479 -6.298 906 HE22 GLN 118 2HE2 GLN 118 -14.979 1.533 -6.191 907 H VAL 119 H VAL 119 -10.496 -1.846 -4.714 908 HA VAL 119 HA VAL 119 -9.080 -0.281 -2.724 909 HB VAL 119 HB VAL 119 -7.813 -2.710 -3.995 910 HG11 VAL 119 1HG1 VAL 119 -5.982 -2.306 -2.475 911 HG12 VAL 119 2HG1 VAL 119 -6.320 -0.805 -3.370 912 HG13 VAL 119 3HG1 VAL 119 -6.870 -0.980 -1.686 913 HG21 VAL 119 1HG2 VAL 119 -8.930 -2.399 -1.188 914 HG22 VAL 119 2HG2 VAL 119 -9.544 -3.478 -2.464 915 HG23 VAL 119 3HG2 VAL 119 -7.936 -3.762 -1.756 916 H GLU 120 H GLU 120 -8.615 1.557 -3.808 917 HA GLU 120 HA GLU 120 -8.165 1.305 -6.663 918 HB2 GLU 120 1HB GLU 120 -9.894 2.910 -5.995 919 HB3 GLU 120 2HB GLU 120 -8.783 3.721 -4.910 920 HG2 GLU 120 1HG GLU 120 -7.320 3.900 -7.191 921 HG3 GLU 120 2HG GLU 120 -8.914 3.809 -7.912 922 H LEU 121 H LEU 121 -6.047 1.007 -7.217 923 HA LEU 121 HA LEU 121 -4.007 2.156 -5.494 924 HB2 LEU 121 1HB LEU 121 -3.830 0.253 -7.834 925 HB3 LEU 121 2HB LEU 121 -2.471 0.797 -6.871 926 HG LEU 121 HG LEU 121 -4.637 -1.144 -6.195 927 HD11 LEU 121 1HD1 LEU 121 -2.805 -2.436 -5.296 928 HD12 LEU 121 2HD1 LEU 121 -2.387 -1.869 -6.930 929 HD13 LEU 121 3HD1 LEU 121 -1.688 -1.066 -5.503 930 HD21 LEU 121 1HD2 LEU 121 -3.238 0.583 -4.137 931 HD22 LEU 121 2HD2 LEU 121 -4.987 0.461 -4.445 932 HD23 LEU 121 3HD2 LEU 121 -4.103 -0.929 -3.769 933 H VAL 122 H VAL 122 -2.107 3.268 -6.577 934 HA VAL 122 HA VAL 122 -2.778 4.573 -9.073 935 HB VAL 122 HB VAL 122 -2.235 6.164 -6.560 936 HG11 VAL 122 1HG1 VAL 122 -2.839 8.102 -7.981 937 HG12 VAL 122 2HG1 VAL 122 -1.396 7.246 -8.574 938 HG13 VAL 122 3HG1 VAL 122 -2.964 7.014 -9.384 939 HG21 VAL 122 1HG2 VAL 122 -4.849 5.798 -8.063 940 HG22 VAL 122 2HG2 VAL 122 -4.462 5.134 -6.458 941 HG23 VAL 122 3HG2 VAL 122 -4.575 6.895 -6.689 942 H VAL 123 H VAL 123 -0.988 4.131 -10.252 943 HA VAL 123 HA VAL 123 1.583 4.252 -8.838 944 HB VAL 123 HB VAL 123 1.407 2.101 -9.622 945 HG11 VAL 123 1HG1 VAL 123 -0.031 3.234 -12.037 946 HG12 VAL 123 2HG1 VAL 123 0.520 1.544 -11.936 947 HG13 VAL 123 3HG1 VAL 123 -0.676 2.161 -10.772 948 HG21 VAL 123 1HG2 VAL 123 2.593 3.477 -12.052 949 HG22 VAL 123 2HG2 VAL 123 3.446 3.279 -10.502 950 HG23 VAL 123 3HG2 VAL 123 2.957 1.846 -11.438 951 H SER 124 H SER 124 3.425 5.163 -10.090 952 HA SER 124 HA SER 124 2.561 6.936 -12.211 953 HB2 SER 124 1HB SER 124 2.461 8.332 -10.205 954 HB3 SER 124 2HB SER 124 4.055 7.806 -9.701 955 HG SER 124 HG SER 124 3.341 9.800 -11.493 956 H ARG 125 H ARG 125 3.819 6.224 -13.901 957 HA ARG 125 HA ARG 125 6.573 5.560 -13.241 958 HB2 ARG 125 1HB ARG 125 6.575 4.109 -15.217 959 HB3 ARG 125 2HB ARG 125 5.173 3.715 -14.242 960 HG2 ARG 125 1HG ARG 125 4.503 5.852 -16.114 961 HG3 ARG 125 2HG ARG 125 5.212 4.505 -16.982 962 HD2 ARG 125 1HD ARG 125 2.734 4.502 -15.220 963 HD3 ARG 125 2HD ARG 125 2.868 4.019 -16.899 964 HE ARG 125 HE ARG 125 3.624 2.412 -14.541 965 HH11 ARG 125 2HH2 ARG 125 3.804 2.768 -18.037 966 HH12 ARG 125 1HH2 ARG 125 4.177 1.100 -18.316 967 HH21 ARG 125 2HH1 ARG 125 4.116 0.211 -14.908 968 HH22 ARG 125 1HH1 ARG 125 4.356 -0.365 -16.524 969 H SER 126 H SER 126 8.218 6.112 -15.005 970 HA SER 126 HA SER 126 7.559 8.732 -16.021 971 HB2 SER 126 1HB SER 126 9.678 8.249 -14.687 972 HB3 SER 126 2HB SER 126 10.249 7.298 -16.044 973 HG SER 126 HG SER 126 9.376 10.009 -16.449 974 H GLY 127 H GLY 127 7.514 9.253 -18.239 975 HA2 GLY 127 1HA GLY 127 7.531 6.939 -20.054 976 HA3 GLY 127 2HA GLY 127 6.732 8.476 -20.316 977 HA PRO 128 HA PRO 128 10.736 8.603 -22.496 978 HB2 PRO 128 1HB PRO 128 9.796 8.976 -25.034 979 HB3 PRO 128 2HB PRO 128 10.221 7.403 -24.392 980 HG2 PRO 128 1HG PRO 128 7.537 8.554 -24.850 981 HG3 PRO 128 2HG PRO 128 7.987 6.876 -24.621 982 HD2 PRO 128 1HD PRO 128 6.764 8.603 -22.686 983 HD3 PRO 128 2HD PRO 128 7.320 6.962 -22.423 984 H SER 129 H SER 129 11.954 10.401 -22.597 985 HA SER 129 HA SER 129 10.784 12.741 -23.640 986 HB2 SER 129 1HB SER 129 9.786 12.654 -21.305 987 HB3 SER 129 2HB SER 129 11.410 12.771 -20.656 988 HG SER 129 HG SER 129 11.042 14.885 -20.774 989 H SER 130 H SER 130 12.729 12.408 -24.960 990 HA SER 130 HA SER 130 15.246 12.464 -23.630 991 HB2 SER 130 1HB SER 130 14.343 12.405 -26.522 992 HB3 SER 130 2HB SER 130 16.023 12.722 -26.137 993 HG SER 130 HG SER 130 16.325 10.657 -25.631 994 H GLY 131 H GLY 131 13.493 14.626 -25.981 995 HA2 GLY 131 1HA GLY 131 13.374 16.989 -25.231 996 HA3 GLY 131 2HA GLY 131 15.097 16.881 -24.931 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -31.473 -18.071 -10.941 2 HA2 GLY 1 1HA GLY 1 -30.424 -16.023 -11.063 3 HA3 GLY 1 2HA GLY 1 -29.978 -16.325 -12.731 4 H SER 2 H SER 2 -31.391 -15.754 -14.442 5 HA SER 2 HA SER 2 -32.870 -14.493 -15.419 6 HB2 SER 2 1HB SER 2 -34.374 -16.338 -14.884 7 HB3 SER 2 2HB SER 2 -34.663 -15.706 -13.275 8 HG SER 2 HG SER 2 -35.892 -15.048 -15.663 9 H SER 3 H SER 3 -32.149 -12.362 -15.101 10 HA SER 3 HA SER 3 -33.754 -10.802 -13.368 11 HB2 SER 3 1HB SER 3 -31.721 -9.778 -12.178 12 HB3 SER 3 2HB SER 3 -32.223 -11.367 -11.636 13 HG SER 3 HG SER 3 -30.145 -11.834 -11.962 14 H GLY 4 H GLY 4 -33.619 -8.523 -13.924 15 HA2 GLY 4 1HA GLY 4 -32.090 -8.041 -16.408 16 HA3 GLY 4 2HA GLY 4 -33.632 -7.312 -16.005 17 H SER 5 H SER 5 -33.012 -5.132 -16.019 18 HA SER 5 HA SER 5 -31.670 -4.280 -13.680 19 HB2 SER 5 1HB SER 5 -29.956 -4.821 -15.770 20 HB3 SER 5 2HB SER 5 -30.313 -3.132 -16.070 21 HG SER 5 HG SER 5 -28.682 -2.918 -14.645 22 H SER 6 H SER 6 -33.762 -3.248 -13.417 23 HA SER 6 HA SER 6 -34.215 -1.105 -15.341 24 HB2 SER 6 1HB SER 6 -36.047 -2.795 -15.161 25 HB3 SER 6 2HB SER 6 -36.198 -2.447 -13.451 26 HG SER 6 HG SER 6 -36.655 -0.170 -14.099 27 H GLY 7 H GLY 7 -34.385 1.037 -14.578 28 HA2 GLY 7 1HA GLY 7 -34.954 1.878 -12.022 29 HA3 GLY 7 2HA GLY 7 -33.228 1.577 -12.024 30 H HIS 8 H HIS 8 -32.274 3.583 -12.115 31 HA HIS 8 HA HIS 8 -32.315 4.995 -14.512 32 HB2 HIS 8 1HB HIS 8 -33.402 7.091 -13.758 33 HB3 HIS 8 2HB HIS 8 -34.514 5.751 -13.958 34 HD1 HIS 8 1HD HIS 8 -33.370 8.246 -11.506 35 HD2 HIS 8 2HD HIS 8 -35.356 4.552 -11.406 36 HE1 HIS 8 1HE HIS 8 -34.450 8.077 -9.200 37 H SER 9 H SER 9 -30.065 4.845 -14.244 38 HA SER 9 HA SER 9 -28.925 6.916 -12.775 39 HB2 SER 9 1HB SER 9 -29.339 5.449 -10.833 40 HB3 SER 9 2HB SER 9 -28.522 4.118 -11.627 41 HG SER 9 HG SER 9 -27.453 6.297 -10.248 42 H HIS 10 H HIS 10 -26.516 6.979 -13.114 43 HA HIS 10 HA HIS 10 -25.726 5.160 -15.271 44 HB2 HIS 10 1HB HIS 10 -24.865 6.872 -16.536 45 HB3 HIS 10 2HB HIS 10 -26.285 7.635 -15.850 46 HD1 HIS 10 1HD HIS 10 -25.508 8.773 -13.251 47 HD2 HIS 10 2HD HIS 10 -22.789 8.621 -16.441 48 HE1 HIS 10 1HE HIS 10 -23.735 10.542 -12.763 49 H SER 11 H SER 11 -23.462 4.567 -15.329 50 HA SER 11 HA SER 11 -21.577 5.522 -13.600 51 HB2 SER 11 1HB SER 11 -23.476 3.791 -12.265 52 HB3 SER 11 2HB SER 11 -21.922 2.983 -12.313 53 HG SER 11 HG SER 11 -22.719 5.084 -10.746 54 H ASP 12 H ASP 12 -20.718 5.158 -15.840 55 HA ASP 12 HA ASP 12 -19.908 2.372 -16.138 56 HB2 ASP 12 1HB ASP 12 -21.064 4.317 -18.064 57 HB3 ASP 12 2HB ASP 12 -19.629 3.510 -18.666 58 H LYS 13 H LYS 13 -17.996 3.077 -14.788 59 HA LYS 13 HA LYS 13 -16.049 4.502 -16.452 60 HB2 LYS 13 1HB LYS 13 -16.738 5.015 -13.556 61 HB3 LYS 13 2HB LYS 13 -15.169 5.434 -14.216 62 HG2 LYS 13 1HG LYS 13 -16.768 6.509 -16.155 63 HG3 LYS 13 2HG LYS 13 -17.855 6.637 -14.786 64 HD2 LYS 13 1HD LYS 13 -16.491 8.154 -13.654 65 HD3 LYS 13 2HD LYS 13 -15.013 7.508 -14.339 66 HE2 LYS 13 1HE LYS 13 -16.307 8.473 -16.603 67 HE3 LYS 13 2HE LYS 13 -16.809 9.631 -15.387 68 HZ1 LYS 13 1HZ LYS 13 -14.783 10.471 -15.334 69 HZ2 LYS 13 2HZ LYS 13 -14.058 9.016 -15.174 70 HZ3 LYS 13 3HZ LYS 13 -14.423 9.588 -16.659 71 H HIS 14 H HIS 14 -14.461 3.104 -16.967 72 HA HIS 14 HA HIS 14 -14.189 0.612 -15.867 73 HB2 HIS 14 1HB HIS 14 -12.008 2.277 -17.154 74 HB3 HIS 14 2HB HIS 14 -12.030 0.531 -17.001 75 HD1 HIS 14 1HD HIS 14 -13.440 -0.814 -18.691 76 HD2 HIS 14 2HD HIS 14 -13.824 3.343 -19.105 77 HE1 HIS 14 1HE HIS 14 -14.664 -0.425 -20.896 78 HA PRO 15 HA PRO 15 -12.140 1.268 -12.114 79 HB2 PRO 15 1HB PRO 15 -11.046 -1.199 -11.683 80 HB3 PRO 15 2HB PRO 15 -12.725 -0.823 -11.349 81 HG2 PRO 15 1HG PRO 15 -11.584 -2.377 -13.590 82 HG3 PRO 15 2HG PRO 15 -13.235 -2.346 -13.004 83 HD2 PRO 15 1HD PRO 15 -12.222 -1.043 -15.349 84 HD3 PRO 15 2HD PRO 15 -13.844 -0.918 -14.699 85 H VAL 16 H VAL 16 -10.267 -0.117 -14.714 86 HA VAL 16 HA VAL 16 -7.871 1.008 -13.470 87 HB VAL 16 HB VAL 16 -8.082 -0.788 -15.888 88 HG11 VAL 16 1HG1 VAL 16 -5.710 -1.198 -14.374 89 HG12 VAL 16 2HG1 VAL 16 -5.874 -0.503 -16.004 90 HG13 VAL 16 3HG1 VAL 16 -5.914 0.559 -14.576 91 HG21 VAL 16 1HG2 VAL 16 -8.741 -1.442 -13.194 92 HG22 VAL 16 2HG2 VAL 16 -8.600 -2.529 -14.597 93 HG23 VAL 16 3HG2 VAL 16 -7.181 -2.211 -13.571 94 H THR 17 H THR 17 -6.679 2.652 -14.440 95 HA THR 17 HA THR 17 -7.383 3.535 -17.096 96 HB THR 17 HB THR 17 -7.682 5.937 -15.802 97 HG1 THR 17 1HG THR 17 -8.995 3.851 -14.222 98 HG21 THR 17 1HG2 THR 17 -9.335 4.823 -17.419 99 HG22 THR 17 2HG2 THR 17 -9.969 3.916 -16.024 100 HG23 THR 17 3HG2 THR 17 -10.097 5.691 -16.064 101 H TRP 18 H TRP 18 -5.530 3.961 -18.101 102 HA TRP 18 HA TRP 18 -3.271 4.761 -16.403 103 HB2 TRP 18 1HB TRP 18 -3.391 3.285 -19.032 104 HB3 TRP 18 2HB TRP 18 -1.911 3.964 -18.385 105 HD1 TRP 18 HD TRP 18 -4.420 1.119 -17.700 106 HE1 TRP 18 1HE TRP 18 -3.405 -0.676 -16.053 107 HE3 TRP 18 3HE TRP 18 -0.232 3.766 -16.558 108 HZ2 TRP 18 2HZ TRP 18 -1.019 -0.785 -14.493 109 HZ3 TRP 18 3HZ TRP 18 1.390 2.744 -14.964 110 HH2 TRP 18 HH TRP 18 1.050 0.549 -13.943 111 H GLN 19 H GLN 19 -3.100 6.972 -16.416 112 HA GLN 19 HA GLN 19 -3.270 8.225 -19.037 113 HB2 GLN 19 1HB GLN 19 -4.253 9.666 -16.562 114 HB3 GLN 19 2HB GLN 19 -4.594 10.024 -18.243 115 HG2 GLN 19 1HG GLN 19 -6.522 8.850 -17.999 116 HG3 GLN 19 2HG GLN 19 -5.542 7.398 -17.944 117 HE21 GLN 19 1HE2 GLN 19 -4.899 6.528 -15.946 118 HE22 GLN 19 2HE2 GLN 19 -5.760 6.852 -14.479 119 HA PRO 20 HA PRO 20 0.473 10.049 -17.815 120 HB2 PRO 20 1HB PRO 20 0.586 12.236 -19.450 121 HB3 PRO 20 2HB PRO 20 0.998 10.618 -19.983 122 HG2 PRO 20 1HG PRO 20 -1.435 12.196 -20.558 123 HG3 PRO 20 2HG PRO 20 -0.815 10.789 -21.399 124 HD2 PRO 20 1HD PRO 20 -3.010 10.856 -19.555 125 HD3 PRO 20 2HD PRO 20 -2.316 9.434 -20.306 126 H SER 21 H SER 21 1.588 11.762 -16.687 127 HA SER 21 HA SER 21 -0.152 12.859 -14.796 128 HB2 SER 21 1HB SER 21 1.895 14.018 -13.955 129 HB3 SER 21 2HB SER 21 2.152 12.305 -14.220 130 HG SER 21 HG SER 21 3.393 12.709 -16.019 131 H LYS 22 H LYS 22 0.664 15.491 -14.332 132 HA LYS 22 HA LYS 22 -0.893 16.892 -16.196 133 HB2 LYS 22 1HB LYS 22 -0.397 17.394 -13.713 134 HB3 LYS 22 2HB LYS 22 1.077 18.150 -14.285 135 HG2 LYS 22 1HG LYS 22 -0.049 19.997 -14.975 136 HG3 LYS 22 2HG LYS 22 -1.162 19.033 -15.926 137 HD2 LYS 22 1HD LYS 22 -2.806 19.302 -14.387 138 HD3 LYS 22 2HD LYS 22 -1.782 18.665 -13.115 139 HE2 LYS 22 1HE LYS 22 -0.683 20.966 -12.952 140 HE3 LYS 22 2HE LYS 22 -1.881 21.560 -14.085 141 HZ1 LYS 22 1HZ LYS 22 -2.820 20.115 -11.752 142 HZ2 LYS 22 2HZ LYS 22 -2.284 21.643 -11.540 143 HZ3 LYS 22 3HZ LYS 22 -3.523 21.347 -12.562 144 H ASP 23 H ASP 23 2.540 16.064 -16.020 145 HA ASP 23 HA ASP 23 3.245 18.050 -17.942 146 HB2 ASP 23 1HB ASP 23 4.600 16.369 -16.075 147 HB3 ASP 23 2HB ASP 23 5.182 15.882 -17.654 148 H GLY 24 H GLY 24 3.621 14.417 -17.815 149 HA2 GLY 24 1HA GLY 24 2.292 13.286 -19.660 150 HA3 GLY 24 2HA GLY 24 3.186 14.343 -20.735 151 H ASP 25 H ASP 25 5.642 14.244 -18.920 152 HA ASP 25 HA ASP 25 6.948 12.226 -20.244 153 HB2 ASP 25 1HB ASP 25 7.490 14.047 -17.952 154 HB3 ASP 25 2HB ASP 25 8.443 12.576 -17.931 155 H ARG 26 H ARG 26 5.158 12.342 -17.152 156 HA ARG 26 HA ARG 26 6.022 9.642 -16.563 157 HB2 ARG 26 1HB ARG 26 4.910 11.928 -14.966 158 HB3 ARG 26 2HB ARG 26 4.429 10.328 -14.439 159 HG2 ARG 26 1HG ARG 26 7.342 11.062 -14.961 160 HG3 ARG 26 2HG ARG 26 6.587 11.285 -13.395 161 HD2 ARG 26 1HD ARG 26 6.516 9.015 -12.947 162 HD3 ARG 26 2HD ARG 26 6.185 8.584 -14.613 163 HE ARG 26 HE ARG 26 8.470 8.259 -14.914 164 HH11 ARG 26 2HH2 ARG 26 8.011 10.512 -12.250 165 HH12 ARG 26 1HH2 ARG 26 9.701 10.623 -11.885 166 HH21 ARG 26 2HH1 ARG 26 10.699 8.406 -14.433 167 HH22 ARG 26 1HH1 ARG 26 11.240 9.418 -13.135 168 H LEU 27 H LEU 27 4.279 8.060 -15.813 169 HA LEU 27 HA LEU 27 1.720 8.639 -17.132 170 HB2 LEU 27 1HB LEU 27 3.559 6.897 -18.102 171 HB3 LEU 27 2HB LEU 27 2.639 5.834 -17.054 172 HG LEU 27 HG LEU 27 1.338 5.540 -18.852 173 HD11 LEU 27 1HD1 LEU 27 0.136 7.257 -17.207 174 HD12 LEU 27 2HD1 LEU 27 0.168 8.273 -18.668 175 HD13 LEU 27 3HD1 LEU 27 -0.624 6.680 -18.709 176 HD21 LEU 27 1HD2 LEU 27 2.812 7.891 -19.872 177 HD22 LEU 27 2HD2 LEU 27 2.441 6.332 -20.647 178 HD23 LEU 27 3HD2 LEU 27 1.207 7.613 -20.590 179 H ILE 28 H ILE 28 0.179 8.824 -15.603 180 HA ILE 28 HA ILE 28 0.589 7.440 -13.082 181 HB ILE 28 HB ILE 28 -1.524 9.439 -13.892 182 HG12 ILE 28 1HG1 ILE 28 0.571 10.543 -14.118 183 HG13 ILE 28 2HG1 ILE 28 -0.125 11.061 -12.596 184 HG21 ILE 28 1HG2 ILE 28 -2.490 8.849 -11.979 185 HG22 ILE 28 2HG2 ILE 28 -1.116 7.813 -11.522 186 HG23 ILE 28 3HG2 ILE 28 -1.085 9.552 -11.140 187 HD11 ILE 28 1HD1 ILE 28 1.276 9.372 -11.387 188 HD12 ILE 28 2HD1 ILE 28 2.008 8.903 -12.940 189 HD13 ILE 28 3HD1 ILE 28 2.263 10.543 -12.295 190 H GLY 29 H GLY 29 -0.033 5.341 -13.048 191 HA2 GLY 29 1HA GLY 29 -2.410 4.581 -14.608 192 HA3 GLY 29 2HA GLY 29 -1.154 3.509 -14.022 193 H ARG 30 H ARG 30 -4.275 3.867 -13.621 194 HA ARG 30 HA ARG 30 -4.127 3.681 -10.718 195 HB2 ARG 30 1HB ARG 30 -5.802 5.311 -12.400 196 HB3 ARG 30 2HB ARG 30 -6.843 4.116 -11.653 197 HG2 ARG 30 1HG ARG 30 -6.152 4.771 -9.421 198 HG3 ARG 30 2HG ARG 30 -4.831 5.741 -10.040 199 HD2 ARG 30 1HD ARG 30 -6.594 7.286 -9.462 200 HD3 ARG 30 2HD ARG 30 -6.562 7.212 -11.213 201 HE ARG 30 HE ARG 30 -8.378 5.222 -10.467 202 HH11 ARG 30 2HH2 ARG 30 -8.096 8.689 -9.935 203 HH12 ARG 30 1HH2 ARG 30 -9.806 8.939 -9.822 204 HH21 ARG 30 2HH1 ARG 30 -10.634 5.552 -10.318 205 HH22 ARG 30 1HH1 ARG 30 -11.259 7.143 -10.041 206 H ILE 31 H ILE 31 -4.805 1.737 -9.812 207 HA ILE 31 HA ILE 31 -6.286 -0.075 -11.587 208 HB ILE 31 HB ILE 31 -3.897 -0.605 -9.843 209 HG12 ILE 31 1HG1 ILE 31 -3.468 -1.973 -12.106 210 HG13 ILE 31 2HG1 ILE 31 -4.550 -0.756 -12.752 211 HG21 ILE 31 1HG2 ILE 31 -5.391 -2.295 -9.132 212 HG22 ILE 31 2HG2 ILE 31 -5.985 -2.576 -10.786 213 HG23 ILE 31 3HG2 ILE 31 -4.327 -3.049 -10.344 214 HD11 ILE 31 1HD1 ILE 31 -3.018 0.929 -12.506 215 HD12 ILE 31 2HD1 ILE 31 -2.460 0.320 -10.929 216 HD13 ILE 31 3HD1 ILE 31 -1.841 -0.405 -12.432 217 H LEU 32 H LEU 32 -8.327 -0.183 -10.815 218 HA LEU 32 HA LEU 32 -8.634 -0.137 -7.898 219 HB2 LEU 32 1HB LEU 32 -9.757 1.696 -8.849 220 HB3 LEU 32 2HB LEU 32 -10.413 0.736 -10.160 221 HG LEU 32 HG LEU 32 -11.593 -0.551 -8.134 222 HD11 LEU 32 1HD1 LEU 32 -10.323 1.366 -6.683 223 HD12 LEU 32 2HD1 LEU 32 -11.905 2.136 -6.955 224 HD13 LEU 32 3HD1 LEU 32 -11.815 0.536 -6.181 225 HD21 LEU 32 1HD2 LEU 32 -13.085 1.893 -8.627 226 HD22 LEU 32 2HD2 LEU 32 -12.364 1.244 -10.120 227 HD23 LEU 32 3HD2 LEU 32 -13.428 0.219 -9.126 228 H LEU 33 H LEU 33 -8.982 -2.068 -6.955 229 HA LEU 33 HA LEU 33 -10.012 -4.210 -8.658 230 HB2 LEU 33 1HB LEU 33 -8.514 -4.243 -6.037 231 HB3 LEU 33 2HB LEU 33 -9.181 -5.671 -6.802 232 HG LEU 33 HG LEU 33 -7.029 -5.806 -7.536 233 HD11 LEU 33 1HD1 LEU 33 -8.431 -5.747 -9.521 234 HD12 LEU 33 2HD1 LEU 33 -8.261 -3.977 -9.615 235 HD13 LEU 33 3HD1 LEU 33 -6.840 -5.022 -9.858 236 HD21 LEU 33 1HD2 LEU 33 -6.314 -3.735 -6.381 237 HD22 LEU 33 2HD2 LEU 33 -5.520 -3.969 -7.957 238 HD23 LEU 33 3HD2 LEU 33 -6.846 -2.793 -7.795 239 H ASN 34 H ASN 34 -11.890 -5.356 -8.142 240 HA ASN 34 HA ASN 34 -13.329 -4.320 -5.834 241 HB2 ASN 34 1HB ASN 34 -14.287 -3.301 -7.893 242 HB3 ASN 34 2HB ASN 34 -14.453 -4.882 -8.629 243 HD21 ASN 34 1HD2 ASN 34 -15.481 -2.841 -5.944 244 HD22 ASN 34 2HD2 ASN 34 -17.023 -3.579 -5.664 245 H LYS 35 H LYS 35 -13.533 -6.110 -4.475 246 HA LYS 35 HA LYS 35 -13.907 -8.720 -5.763 247 HB2 LYS 35 1HB LYS 35 -12.899 -9.716 -3.844 248 HB3 LYS 35 2HB LYS 35 -11.856 -8.411 -4.371 249 HG2 LYS 35 1HG LYS 35 -13.956 -7.678 -2.361 250 HG3 LYS 35 2HG LYS 35 -12.677 -8.729 -1.784 251 HD2 LYS 35 1HD LYS 35 -11.923 -6.281 -3.393 252 HD3 LYS 35 2HD LYS 35 -12.404 -6.070 -1.721 253 HE2 LYS 35 1HE LYS 35 -10.681 -7.948 -1.167 254 HE3 LYS 35 2HE LYS 35 -10.077 -7.714 -2.795 255 HZ1 LYS 35 1HZ LYS 35 -10.440 -5.311 -1.264 256 HZ2 LYS 35 2HZ LYS 35 -9.265 -6.308 -0.722 257 HZ3 LYS 35 3HZ LYS 35 -9.214 -5.742 -2.253 258 H ARG 36 H ARG 36 -15.908 -6.460 -5.146 259 HA ARG 36 HA ARG 36 -17.436 -7.470 -3.005 260 HB2 ARG 36 1HB ARG 36 -17.782 -5.345 -5.126 261 HB3 ARG 36 2HB ARG 36 -19.216 -5.884 -4.276 262 HG2 ARG 36 1HG ARG 36 -18.123 -5.372 -2.089 263 HG3 ARG 36 2HG ARG 36 -16.675 -4.853 -2.928 264 HD2 ARG 36 1HD ARG 36 -17.553 -2.775 -3.174 265 HD3 ARG 36 2HD ARG 36 -18.872 -3.436 -4.120 266 HE ARG 36 HE ARG 36 -19.540 -3.996 -1.452 267 HH11 ARG 36 2HH2 ARG 36 -18.884 -1.109 -3.355 268 HH12 ARG 36 1HH2 ARG 36 -19.909 -0.091 -2.399 269 HH21 ARG 36 2HH1 ARG 36 -20.893 -2.653 -0.191 270 HH22 ARG 36 1HH1 ARG 36 -21.059 -0.975 -0.587 271 H LEU 37 H LEU 37 -18.933 -9.130 -3.054 272 HA LEU 37 HA LEU 37 -19.261 -10.694 -5.332 273 HB2 LEU 37 1HB LEU 37 -20.842 -10.503 -2.768 274 HB3 LEU 37 2HB LEU 37 -21.124 -11.725 -3.992 275 HG LEU 37 HG LEU 37 -18.439 -11.347 -2.651 276 HD11 LEU 37 1HD1 LEU 37 -20.142 -13.618 -1.813 277 HD12 LEU 37 2HD1 LEU 37 -19.007 -12.615 -0.877 278 HD13 LEU 37 3HD1 LEU 37 -20.643 -12.010 -1.235 279 HD21 LEU 37 1HD2 LEU 37 -17.877 -12.676 -4.376 280 HD22 LEU 37 2HD2 LEU 37 -18.591 -13.958 -3.368 281 HD23 LEU 37 3HD2 LEU 37 -19.553 -13.203 -4.662 282 H LYS 38 H LYS 38 -21.708 -11.263 -6.051 283 HA LYS 38 HA LYS 38 -22.508 -9.151 -7.642 284 HB2 LYS 38 1HB LYS 38 -23.068 -11.825 -7.466 285 HB3 LYS 38 2HB LYS 38 -24.589 -11.129 -6.945 286 HG2 LYS 38 1HG LYS 38 -23.732 -9.564 -9.178 287 HG3 LYS 38 2HG LYS 38 -23.453 -11.235 -9.624 288 HD2 LYS 38 1HD LYS 38 -25.697 -11.741 -9.680 289 HD3 LYS 38 2HD LYS 38 -26.060 -10.766 -8.270 290 HE2 LYS 38 1HE LYS 38 -26.043 -8.710 -9.588 291 HE3 LYS 38 2HE LYS 38 -25.407 -9.546 -10.991 292 HZ1 LYS 38 1HZ LYS 38 -27.413 -10.732 -11.210 293 HZ2 LYS 38 2HZ LYS 38 -27.989 -10.222 -9.769 294 HZ3 LYS 38 3HZ LYS 38 -27.831 -9.167 -11.005 295 H ASP 39 H ASP 39 -23.930 -10.359 -4.530 296 HA ASP 39 HA ASP 39 -25.970 -8.559 -4.397 297 HB2 ASP 39 1HB ASP 39 -24.804 -10.507 -2.728 298 HB3 ASP 39 2HB ASP 39 -24.681 -9.035 -1.786 299 H GLY 40 H GLY 40 -22.503 -8.133 -4.053 300 HA2 GLY 40 1HA GLY 40 -21.488 -6.031 -4.141 301 HA3 GLY 40 2HA GLY 40 -22.901 -5.299 -3.407 302 H SER 41 H SER 41 -21.776 -8.347 -2.048 303 HA SER 41 HA SER 41 -20.587 -6.821 0.136 304 HB2 SER 41 1HB SER 41 -22.232 -9.387 0.259 305 HB3 SER 41 2HB SER 41 -21.371 -8.715 1.629 306 HG SER 41 HG SER 41 -23.128 -6.974 0.215 307 H VAL 42 H VAL 42 -18.447 -7.292 0.509 308 HA VAL 42 HA VAL 42 -17.132 -9.219 -1.069 309 HB VAL 42 HB VAL 42 -16.228 -7.707 1.390 310 HG11 VAL 42 1HG1 VAL 42 -14.860 -9.739 0.717 311 HG12 VAL 42 2HG1 VAL 42 -14.492 -8.880 -0.798 312 HG13 VAL 42 3HG1 VAL 42 -13.985 -8.190 0.762 313 HG21 VAL 42 1HG2 VAL 42 -16.164 -5.869 0.133 314 HG22 VAL 42 2HG2 VAL 42 -15.141 -6.697 -1.066 315 HG23 VAL 42 3HG2 VAL 42 -16.914 -6.771 -1.206 316 HA PRO 43 HA PRO 43 -17.664 -12.708 1.439 317 HB2 PRO 43 1HB PRO 43 -15.750 -14.343 0.375 318 HB3 PRO 43 2HB PRO 43 -17.331 -14.121 -0.348 319 HG2 PRO 43 1HG PRO 43 -14.725 -13.025 -1.215 320 HG3 PRO 43 2HG PRO 43 -16.213 -13.174 -2.130 321 HD2 PRO 43 1HD PRO 43 -15.148 -10.780 -0.963 322 HD3 PRO 43 2HD PRO 43 -16.690 -10.953 -1.777 323 H ARG 44 H ARG 44 -16.322 -14.426 2.754 324 HA ARG 44 HA ARG 44 -15.350 -13.222 4.870 325 HB2 ARG 44 1HB ARG 44 -14.910 -15.854 3.598 326 HB3 ARG 44 2HB ARG 44 -13.569 -15.390 4.626 327 HG2 ARG 44 1HG ARG 44 -16.209 -14.836 5.851 328 HG3 ARG 44 2HG ARG 44 -15.964 -16.535 5.494 329 HD2 ARG 44 1HD ARG 44 -14.803 -16.625 7.457 330 HD3 ARG 44 2HD ARG 44 -13.506 -15.822 6.596 331 HE ARG 44 HE ARG 44 -13.973 -13.854 7.773 332 HH11 ARG 44 2HH2 ARG 44 -16.730 -16.025 8.024 333 HH12 ARG 44 1HH2 ARG 44 -17.567 -15.036 9.173 334 HH21 ARG 44 2HH1 ARG 44 -15.076 -12.549 9.290 335 HH22 ARG 44 1HH1 ARG 44 -16.620 -13.045 9.898 336 H ASP 45 H ASP 45 -13.636 -13.683 1.769 337 HA ASP 45 HA ASP 45 -11.983 -11.572 2.075 338 HB2 ASP 45 1HB ASP 45 -9.755 -12.955 2.400 339 HB3 ASP 45 2HB ASP 45 -10.661 -12.425 3.803 340 H SER 46 H SER 46 -12.237 -11.386 -0.197 341 HA SER 46 HA SER 46 -11.788 -13.700 -1.819 342 HB2 SER 46 1HB SER 46 -13.532 -12.426 -2.697 343 HB3 SER 46 2HB SER 46 -12.796 -10.901 -2.247 344 HG SER 46 HG SER 46 -11.811 -12.637 -4.349 345 H GLY 47 H GLY 47 -9.761 -11.641 -0.222 346 HA2 GLY 47 1HA GLY 47 -7.388 -12.117 -0.818 347 HA3 GLY 47 2HA GLY 47 -7.790 -11.552 -2.427 348 H ALA 48 H ALA 48 -7.725 -10.560 1.047 349 HA ALA 48 HA ALA 48 -8.261 -7.882 0.726 350 HB1 ALA 48 1HB ALA 48 -6.488 -9.397 2.676 351 HB2 ALA 48 2HB ALA 48 -6.872 -7.668 2.850 352 HB3 ALA 48 3HB ALA 48 -8.175 -8.879 2.907 353 H MET 49 H MET 49 -5.301 -9.754 0.048 354 HA MET 49 HA MET 49 -3.790 -7.350 -0.344 355 HB2 MET 49 1HB MET 49 -3.319 -10.302 -0.228 356 HB3 MET 49 2HB MET 49 -2.281 -9.466 -1.366 357 HG2 MET 49 1HG MET 49 -2.390 -7.899 1.066 358 HG3 MET 49 2HG MET 49 -2.054 -9.562 1.505 359 HE1 MET 49 1HE MET 49 -0.758 -6.315 -0.022 360 HE2 MET 49 2HE MET 49 0.503 -6.834 -1.166 361 HE3 MET 49 3HE MET 49 -1.210 -7.172 -1.515 362 H LEU 50 H LEU 50 -6.242 -8.529 -2.071 363 HA LEU 50 HA LEU 50 -6.897 -8.333 -4.171 364 HB2 LEU 50 1HB LEU 50 -4.319 -6.797 -4.508 365 HB3 LEU 50 2HB LEU 50 -5.554 -6.935 -5.743 366 HG LEU 50 HG LEU 50 -5.739 -4.809 -4.607 367 HD11 LEU 50 1HD1 LEU 50 -7.796 -6.092 -5.362 368 HD12 LEU 50 2HD1 LEU 50 -8.057 -6.492 -3.648 369 HD13 LEU 50 3HD1 LEU 50 -8.059 -4.792 -4.175 370 HD21 LEU 50 1HD2 LEU 50 -6.498 -6.074 -2.004 371 HD22 LEU 50 2HD2 LEU 50 -4.773 -5.896 -2.407 372 HD23 LEU 50 3HD2 LEU 50 -5.825 -4.461 -2.345 373 H GLY 51 H GLY 51 -3.304 -8.730 -4.562 374 HA2 GLY 51 1HA GLY 51 -3.085 -11.385 -4.946 375 HA3 GLY 51 2HA GLY 51 -3.744 -10.853 -6.480 376 H LEU 52 H LEU 52 -1.505 -9.059 -4.277 377 HA LEU 52 HA LEU 52 0.748 -9.608 -5.956 378 HB2 LEU 52 1HB LEU 52 1.080 -7.555 -6.941 379 HB3 LEU 52 2HB LEU 52 -0.634 -7.841 -7.167 380 HG LEU 52 HG LEU 52 -0.883 -6.424 -4.966 381 HD11 LEU 52 1HD1 LEU 52 1.958 -6.050 -5.689 382 HD12 LEU 52 2HD1 LEU 52 1.050 -4.560 -5.338 383 HD13 LEU 52 3HD1 LEU 52 1.127 -5.861 -4.126 384 HD21 LEU 52 1HD2 LEU 52 -0.187 -4.532 -7.061 385 HD22 LEU 52 2HD2 LEU 52 -1.127 -5.906 -7.689 386 HD23 LEU 52 3HD2 LEU 52 -1.770 -4.926 -6.350 387 H LYS 53 H LYS 53 2.696 -8.214 -5.114 388 HA LYS 53 HA LYS 53 2.322 -7.829 -2.226 389 HB2 LYS 53 1HB LYS 53 3.760 -9.889 -3.399 390 HB3 LYS 53 2HB LYS 53 4.999 -8.703 -3.043 391 HG2 LYS 53 1HG LYS 53 3.362 -8.684 -0.744 392 HG3 LYS 53 2HG LYS 53 3.436 -10.376 -1.194 393 HD2 LYS 53 1HD LYS 53 5.735 -10.526 -0.837 394 HD3 LYS 53 2HD LYS 53 6.025 -8.851 -1.263 395 HE2 LYS 53 1HE LYS 53 6.383 -9.033 1.121 396 HE3 LYS 53 2HE LYS 53 4.876 -8.166 0.904 397 HZ1 LYS 53 1HZ LYS 53 5.089 -10.249 2.460 398 HZ2 LYS 53 2HZ LYS 53 3.695 -9.892 1.686 399 HZ3 LYS 53 3HZ LYS 53 4.690 -11.040 1.088 400 H VAL 54 H VAL 54 3.151 -5.951 -1.371 401 HA VAL 54 HA VAL 54 4.729 -4.305 -3.223 402 HB VAL 54 HB VAL 54 2.505 -3.439 -1.366 403 HG11 VAL 54 1HG1 VAL 54 3.333 -1.371 -1.427 404 HG12 VAL 54 2HG1 VAL 54 4.757 -1.982 -2.302 405 HG13 VAL 54 3HG1 VAL 54 3.340 -1.399 -3.207 406 HG21 VAL 54 1HG2 VAL 54 1.271 -4.142 -3.137 407 HG22 VAL 54 2HG2 VAL 54 1.760 -2.571 -3.815 408 HG23 VAL 54 3HG2 VAL 54 2.641 -4.049 -4.270 409 H VAL 55 H VAL 55 6.465 -3.165 -2.314 410 HA VAL 55 HA VAL 55 6.935 -3.758 0.527 411 HB VAL 55 HB VAL 55 8.670 -3.982 -1.889 412 HG11 VAL 55 1HG1 VAL 55 10.077 -2.473 -0.839 413 HG12 VAL 55 2HG1 VAL 55 9.556 -2.957 0.793 414 HG13 VAL 55 3HG1 VAL 55 10.635 -4.015 -0.147 415 HG21 VAL 55 1HG2 VAL 55 7.841 -5.635 0.421 416 HG22 VAL 55 2HG2 VAL 55 8.246 -6.107 -1.247 417 HG23 VAL 55 3HG2 VAL 55 9.544 -5.807 -0.067 418 H GLY 56 H GLY 56 6.699 -1.932 1.703 419 HA2 GLY 56 1HA GLY 56 7.205 0.646 0.396 420 HA3 GLY 56 2HA GLY 56 6.317 0.367 1.881 421 H GLY 57 H GLY 57 7.930 2.301 2.369 422 HA2 GLY 57 1HA GLY 57 9.625 3.008 3.665 423 HA3 GLY 57 2HA GLY 57 9.824 1.359 4.224 424 H LYS 58 H LYS 58 9.959 1.550 0.783 425 HA LYS 58 HA LYS 58 12.687 0.798 0.775 426 HB2 LYS 58 1HB LYS 58 11.119 -0.104 -0.840 427 HB3 LYS 58 2HB LYS 58 10.757 1.496 -1.455 428 HG2 LYS 58 1HG LYS 58 12.558 1.445 -2.833 429 HG3 LYS 58 2HG LYS 58 13.636 1.101 -1.495 430 HD2 LYS 58 1HD LYS 58 13.945 -0.895 -2.584 431 HD3 LYS 58 2HD LYS 58 12.468 -1.354 -1.760 432 HE2 LYS 58 1HE LYS 58 11.369 -1.559 -3.735 433 HE3 LYS 58 2HE LYS 58 11.761 0.093 -4.172 434 HZ1 LYS 58 1HZ LYS 58 13.998 -1.630 -4.396 435 HZ2 LYS 58 2HZ LYS 58 12.757 -2.127 -5.333 436 HZ3 LYS 58 3HZ LYS 58 13.355 -0.617 -5.504 437 H MET 59 H MET 59 14.432 2.089 0.942 438 HA MET 59 HA MET 59 14.032 4.911 0.683 439 HB2 MET 59 1HB MET 59 15.561 3.404 2.350 440 HB3 MET 59 2HB MET 59 16.751 3.637 1.085 441 HG2 MET 59 1HG MET 59 17.216 5.570 2.250 442 HG3 MET 59 2HG MET 59 15.873 6.210 1.324 443 HE1 MET 59 1HE MET 59 13.776 7.222 2.421 444 HE2 MET 59 2HE MET 59 14.032 7.724 4.109 445 HE3 MET 59 3HE MET 59 15.296 8.020 2.891 446 H THR 60 H THR 60 14.074 5.835 -1.324 447 HA THR 60 HA THR 60 15.471 4.561 -3.483 448 HB THR 60 HB THR 60 14.497 6.479 -4.757 449 HG1 THR 60 1HG THR 60 13.356 8.068 -3.385 450 HG21 THR 60 1HG2 THR 60 12.862 4.703 -4.299 451 HG22 THR 60 2HG2 THR 60 12.632 5.294 -2.636 452 HG23 THR 60 3HG2 THR 60 12.069 6.271 -4.013 453 H GLU 61 H GLU 61 16.420 6.868 -4.881 454 HA GLU 61 HA GLU 61 18.887 7.153 -3.409 455 HB2 GLU 61 1HB GLU 61 19.635 8.198 -5.667 456 HB3 GLU 61 2HB GLU 61 19.309 6.476 -5.628 457 HG2 GLU 61 1HG GLU 61 17.395 6.659 -6.920 458 HG3 GLU 61 2HG GLU 61 16.951 8.212 -6.241 459 H SER 62 H SER 62 15.986 8.746 -3.508 460 HA SER 62 HA SER 62 17.266 11.360 -3.376 461 HB2 SER 62 1HB SER 62 15.133 10.635 -4.916 462 HB3 SER 62 2HB SER 62 14.282 11.144 -3.471 463 HG SER 62 HG SER 62 15.799 12.671 -5.314 464 H GLY 63 H GLY 63 16.666 8.919 -1.365 465 HA2 GLY 63 1HA GLY 63 16.465 8.819 0.881 466 HA3 GLY 63 2HA GLY 63 16.382 10.568 0.941 467 H ARG 64 H ARG 64 14.115 9.258 -1.310 468 HA ARG 64 HA ARG 64 12.020 9.853 0.576 469 HB2 ARG 64 1HB ARG 64 12.364 9.994 -2.341 470 HB3 ARG 64 2HB ARG 64 10.870 9.176 -1.930 471 HG2 ARG 64 1HG ARG 64 10.106 11.062 -0.591 472 HG3 ARG 64 2HG ARG 64 11.672 11.842 -0.685 473 HD2 ARG 64 1HD ARG 64 11.379 11.994 -3.209 474 HD3 ARG 64 2HD ARG 64 9.758 11.356 -3.018 475 HE ARG 64 HE ARG 64 10.269 13.670 -1.303 476 HH11 ARG 64 2HH2 ARG 64 9.281 12.649 -4.522 477 HH12 ARG 64 1HH2 ARG 64 8.429 14.117 -4.866 478 HH21 ARG 64 2HH1 ARG 64 9.144 15.607 -1.755 479 HH22 ARG 64 1HH1 ARG 64 8.350 15.811 -3.281 480 H LEU 65 H LEU 65 10.100 8.366 0.739 481 HA LEU 65 HA LEU 65 10.927 5.581 0.304 482 HB2 LEU 65 1HB LEU 65 9.130 6.727 2.446 483 HB3 LEU 65 2HB LEU 65 9.501 5.029 2.224 484 HG LEU 65 HG LEU 65 11.640 7.096 2.767 485 HD11 LEU 65 1HD1 LEU 65 10.750 5.349 4.988 486 HD12 LEU 65 2HD1 LEU 65 11.324 7.034 5.000 487 HD13 LEU 65 3HD1 LEU 65 9.646 6.669 4.532 488 HD21 LEU 65 1HD2 LEU 65 11.621 4.243 2.239 489 HD22 LEU 65 2HD2 LEU 65 12.985 5.384 2.321 490 HD23 LEU 65 3HD2 LEU 65 12.377 4.615 3.807 491 H CYS 66 H CYS 66 9.474 4.151 -0.674 492 HA CYS 66 HA CYS 66 6.825 5.094 -1.269 493 HB2 CYS 66 1HB CYS 66 8.499 5.971 -3.090 494 HB3 CYS 66 2HB CYS 66 8.476 4.316 -3.664 495 HG CYS 66 HG CYS 66 6.025 6.487 -3.262 496 H ALA 67 H ALA 67 5.705 3.223 -2.660 497 HA ALA 67 HA ALA 67 6.786 0.676 -1.662 498 HB1 ALA 67 1HB ALA 67 3.968 0.569 -2.274 499 HB2 ALA 67 2HB ALA 67 4.783 0.317 -0.712 500 HB3 ALA 67 3HB ALA 67 4.284 1.954 -1.201 501 H PHE 68 H PHE 68 7.337 -0.810 -3.185 502 HA PHE 68 HA PHE 68 6.229 -0.388 -5.871 503 HB2 PHE 68 1HB PHE 68 8.977 -1.510 -5.074 504 HB3 PHE 68 2HB PHE 68 8.468 -1.080 -6.695 505 HD1 PHE 68 2HD PHE 68 8.370 1.256 -7.391 506 HD2 PHE 68 1HD PHE 68 9.648 0.197 -3.485 507 HE1 PHE 68 2HE PHE 68 9.321 3.558 -7.078 508 HE2 PHE 68 1HE PHE 68 10.599 2.499 -3.173 509 HZ PHE 68 HZ PHE 68 10.424 4.152 -4.973 510 H ILE 69 H ILE 69 5.575 -2.232 -7.018 511 HA ILE 69 HA ILE 69 4.926 -4.480 -5.437 512 HB ILE 69 HB ILE 69 4.811 -4.033 -8.421 513 HG12 ILE 69 1HG1 ILE 69 2.637 -3.756 -6.326 514 HG13 ILE 69 2HG1 ILE 69 3.514 -2.414 -7.035 515 HG21 ILE 69 1HG2 ILE 69 4.464 -6.244 -8.497 516 HG22 ILE 69 2HG2 ILE 69 4.178 -6.365 -6.745 517 HG23 ILE 69 3HG2 ILE 69 2.861 -5.856 -7.828 518 HD11 ILE 69 1HD1 ILE 69 2.360 -2.531 -9.008 519 HD12 ILE 69 2HD1 ILE 69 2.392 -4.311 -9.030 520 HD13 ILE 69 3HD1 ILE 69 1.176 -3.454 -8.052 521 H THR 70 H THR 70 5.971 -6.400 -5.115 522 HA THR 70 HA THR 70 8.547 -6.689 -6.512 523 HB THR 70 HB THR 70 9.338 -7.738 -4.488 524 HG1 THR 70 1HG THR 70 6.521 -7.595 -3.679 525 HG21 THR 70 1HG2 THR 70 7.433 -5.930 -3.060 526 HG22 THR 70 2HG2 THR 70 9.211 -5.980 -2.989 527 HG23 THR 70 3HG2 THR 70 8.397 -5.147 -4.335 528 H LYS 71 H LYS 71 5.357 -8.019 -6.045 529 HA LYS 71 HA LYS 71 5.878 -9.980 -8.029 530 HB2 LYS 71 1HB LYS 71 6.904 -11.144 -6.132 531 HB3 LYS 71 2HB LYS 71 5.435 -10.963 -5.194 532 HG2 LYS 71 1HG LYS 71 4.257 -12.541 -6.454 533 HG3 LYS 71 2HG LYS 71 5.177 -12.229 -7.913 534 HD2 LYS 71 1HD LYS 71 7.018 -13.225 -5.933 535 HD3 LYS 71 2HD LYS 71 5.614 -14.274 -5.915 536 HE2 LYS 71 1HE LYS 71 5.790 -14.501 -8.425 537 HE3 LYS 71 2HE LYS 71 7.243 -13.520 -8.389 538 HZ1 LYS 71 1HZ LYS 71 8.230 -15.476 -8.118 539 HZ2 LYS 71 2HZ LYS 71 7.779 -15.370 -6.552 540 HZ3 LYS 71 3HZ LYS 71 6.883 -16.243 -7.603 541 H VAL 72 H VAL 72 3.937 -10.728 -8.960 542 HA VAL 72 HA VAL 72 1.471 -9.966 -7.616 543 HB VAL 72 HB VAL 72 1.677 -8.018 -8.808 544 HG11 VAL 72 1HG1 VAL 72 2.407 -8.515 -11.452 545 HG12 VAL 72 2HG1 VAL 72 3.442 -7.838 -10.172 546 HG13 VAL 72 3HG1 VAL 72 3.462 -9.587 -10.500 547 HG21 VAL 72 1HG2 VAL 72 0.289 -9.993 -10.642 548 HG22 VAL 72 2HG2 VAL 72 -0.443 -8.933 -9.413 549 HG23 VAL 72 3HG2 VAL 72 0.256 -8.231 -10.892 550 H LYS 73 H LYS 73 0.520 -11.939 -7.450 551 HA LYS 73 HA LYS 73 1.077 -14.111 -9.049 552 HB2 LYS 73 1HB LYS 73 -0.076 -14.037 -6.791 553 HB3 LYS 73 2HB LYS 73 -1.548 -13.595 -7.631 554 HG2 LYS 73 1HG LYS 73 -1.577 -16.002 -7.352 555 HG3 LYS 73 2HG LYS 73 -1.307 -15.681 -9.053 556 HD2 LYS 73 1HD LYS 73 1.110 -16.072 -8.802 557 HD3 LYS 73 2HD LYS 73 0.946 -16.221 -7.064 558 HE2 LYS 73 1HE LYS 73 -0.912 -18.087 -8.064 559 HE3 LYS 73 2HE LYS 73 0.445 -18.228 -9.164 560 HZ1 LYS 73 1HZ LYS 73 0.260 -19.042 -6.474 561 HZ2 LYS 73 2HZ LYS 73 1.387 -19.427 -7.592 562 HZ3 LYS 73 3HZ LYS 73 1.559 -18.077 -6.689 563 H LYS 74 H LYS 74 1.141 -13.652 -11.264 564 HA LYS 74 HA LYS 74 -0.782 -12.209 -12.635 565 HB2 LYS 74 1HB LYS 74 1.300 -12.588 -13.677 566 HB3 LYS 74 2HB LYS 74 1.210 -14.323 -13.453 567 HG2 LYS 74 1HG LYS 74 0.154 -14.568 -15.443 568 HG3 LYS 74 2HG LYS 74 -1.132 -13.494 -14.931 569 HD2 LYS 74 1HD LYS 74 -0.241 -12.406 -16.838 570 HD3 LYS 74 2HD LYS 74 0.493 -11.543 -15.501 571 HE2 LYS 74 1HE LYS 74 2.448 -13.295 -15.739 572 HE3 LYS 74 2HE LYS 74 1.759 -13.625 -17.316 573 HZ1 LYS 74 1HZ LYS 74 2.048 -11.369 -17.917 574 HZ2 LYS 74 2HZ LYS 74 2.485 -10.929 -16.406 575 HZ3 LYS 74 3HZ LYS 74 3.469 -11.881 -17.296 576 H GLY 75 H GLY 75 -2.937 -12.577 -12.590 577 HA2 GLY 75 1HA GLY 75 -4.513 -14.135 -13.757 578 HA3 GLY 75 2HA GLY 75 -3.829 -15.393 -12.746 579 H SER 76 H SER 76 -3.876 -12.332 -11.143 580 HA SER 76 HA SER 76 -6.307 -13.166 -9.765 581 HB2 SER 76 1HB SER 76 -3.684 -12.555 -8.777 582 HB3 SER 76 2HB SER 76 -4.749 -11.278 -8.221 583 HG SER 76 HG SER 76 -4.486 -13.675 -7.138 584 H LEU 77 H LEU 77 -6.730 -10.761 -8.281 585 HA LEU 77 HA LEU 77 -8.081 -9.222 -10.182 586 HB2 LEU 77 1HB LEU 77 -7.460 -9.011 -7.274 587 HB3 LEU 77 2HB LEU 77 -8.045 -7.580 -8.098 588 HG LEU 77 HG LEU 77 -9.529 -10.194 -8.314 589 HD11 LEU 77 1HD1 LEU 77 -10.311 -10.136 -6.233 590 HD12 LEU 77 2HD1 LEU 77 -9.020 -8.966 -5.869 591 HD13 LEU 77 3HD1 LEU 77 -10.642 -8.390 -6.324 592 HD21 LEU 77 1HD2 LEU 77 -11.248 -8.990 -9.182 593 HD22 LEU 77 2HD2 LEU 77 -10.859 -7.531 -8.239 594 HD23 LEU 77 3HD2 LEU 77 -9.904 -7.938 -9.685 595 H ALA 78 H ALA 78 -5.294 -8.184 -8.087 596 HA ALA 78 HA ALA 78 -4.729 -6.001 -9.811 597 HB1 ALA 78 1HB ALA 78 -3.213 -5.403 -8.174 598 HB2 ALA 78 2HB ALA 78 -4.268 -6.476 -7.224 599 HB3 ALA 78 3HB ALA 78 -2.722 -7.085 -7.860 600 H ASP 79 H ASP 79 -4.838 -7.829 -11.682 601 HA ASP 79 HA ASP 79 -2.225 -7.909 -12.666 602 HB2 ASP 79 1HB ASP 79 -3.185 -10.711 -12.590 603 HB3 ASP 79 2HB ASP 79 -1.564 -10.086 -12.363 604 H THR 80 H THR 80 -5.406 -9.690 -12.681 605 HA THR 80 HA THR 80 -5.418 -9.829 -15.560 606 HB THR 80 HB THR 80 -7.508 -11.081 -15.157 607 HG1 THR 80 1HG THR 80 -7.312 -10.782 -12.353 608 HG21 THR 80 1HG2 THR 80 -5.256 -11.600 -13.170 609 HG22 THR 80 2HG2 THR 80 -6.732 -12.595 -13.156 610 HG23 THR 80 3HG2 THR 80 -5.701 -12.552 -14.607 611 H VAL 81 H VAL 81 -7.008 -7.901 -12.984 612 HA VAL 81 HA VAL 81 -8.341 -6.374 -15.096 613 HB VAL 81 HB VAL 81 -9.584 -5.406 -13.122 614 HG11 VAL 81 1HG1 VAL 81 -10.010 -7.702 -14.610 615 HG12 VAL 81 2HG1 VAL 81 -10.230 -8.260 -12.934 616 HG13 VAL 81 3HG1 VAL 81 -11.200 -6.903 -13.554 617 HG21 VAL 81 1HG2 VAL 81 -8.444 -7.777 -11.614 618 HG22 VAL 81 2HG2 VAL 81 -7.834 -6.114 -11.438 619 HG23 VAL 81 3HG2 VAL 81 -9.516 -6.496 -10.998 620 H GLY 82 H GLY 82 -5.993 -6.204 -12.395 621 HA2 GLY 82 1HA GLY 82 -5.666 -3.357 -12.580 622 HA3 GLY 82 2HA GLY 82 -4.706 -4.491 -11.651 623 H HIS 83 H HIS 83 -3.903 -6.301 -13.735 624 HA HIS 83 HA HIS 83 -2.359 -6.574 -15.269 625 HB2 HIS 83 1HB HIS 83 -3.252 -3.840 -16.221 626 HB3 HIS 83 2HB HIS 83 -2.137 -4.870 -17.098 627 HD1 HIS 83 1HD HIS 83 -3.202 -7.391 -17.676 628 HD2 HIS 83 2HD HIS 83 -5.873 -4.256 -16.880 629 HE1 HIS 83 1HE HIS 83 -5.456 -8.112 -18.631 630 H LEU 84 H LEU 84 -1.608 -5.671 -12.669 631 HA LEU 84 HA LEU 84 0.408 -3.642 -13.068 632 HB2 LEU 84 1HB LEU 84 -0.300 -5.280 -10.630 633 HB3 LEU 84 2HB LEU 84 0.799 -3.916 -10.672 634 HG LEU 84 HG LEU 84 -1.933 -3.375 -11.688 635 HD11 LEU 84 1HD1 LEU 84 -2.806 -4.618 -9.963 636 HD12 LEU 84 2HD1 LEU 84 -1.415 -4.322 -8.893 637 HD13 LEU 84 3HD1 LEU 84 -2.610 -3.033 -9.176 638 HD21 LEU 84 1HD2 LEU 84 0.064 -1.944 -9.927 639 HD22 LEU 84 2HD2 LEU 84 -0.443 -1.542 -11.586 640 HD23 LEU 84 3HD2 LEU 84 -1.580 -1.333 -10.232 641 H ARG 85 H ARG 85 2.611 -4.339 -11.750 642 HA ARG 85 HA ARG 85 3.354 -7.011 -12.340 643 HB2 ARG 85 1HB ARG 85 4.169 -4.735 -14.127 644 HB3 ARG 85 2HB ARG 85 5.431 -5.877 -13.711 645 HG2 ARG 85 1HG ARG 85 4.597 -7.412 -15.158 646 HG3 ARG 85 2HG ARG 85 3.028 -7.358 -14.380 647 HD2 ARG 85 1HD ARG 85 2.202 -6.317 -16.221 648 HD3 ARG 85 2HD ARG 85 3.199 -4.927 -15.841 649 HE ARG 85 HE ARG 85 4.766 -6.967 -17.172 650 HH11 ARG 85 2HH2 ARG 85 2.386 -4.444 -17.772 651 HH12 ARG 85 1HH2 ARG 85 2.876 -4.195 -19.414 652 HH21 ARG 85 2HH1 ARG 85 5.412 -6.638 -19.339 653 HH22 ARG 85 1HH1 ARG 85 4.609 -5.451 -20.312 654 HA PRO 86 HA PRO 86 6.235 -5.981 -9.232 655 HB2 PRO 86 1HB PRO 86 8.229 -7.813 -9.605 656 HB3 PRO 86 2HB PRO 86 6.717 -8.191 -8.803 657 HG2 PRO 86 1HG PRO 86 7.603 -8.920 -11.528 658 HG3 PRO 86 2HG PRO 86 6.318 -9.624 -10.566 659 HD2 PRO 86 1HD PRO 86 6.017 -7.802 -12.761 660 HD3 PRO 86 2HD PRO 86 4.743 -8.415 -11.725 661 H GLY 87 H GLY 87 6.646 -3.828 -9.925 662 HA2 GLY 87 1HA GLY 87 9.332 -3.233 -10.143 663 HA3 GLY 87 2HA GLY 87 8.744 -3.354 -11.790 664 H ASP 88 H ASP 88 5.971 -2.479 -11.167 665 HA ASP 88 HA ASP 88 6.242 0.176 -11.655 666 HB2 ASP 88 1HB ASP 88 4.115 -1.693 -11.073 667 HB3 ASP 88 2HB ASP 88 3.810 -0.234 -10.152 668 H GLU 89 H GLU 89 4.868 1.814 -9.965 669 HA GLU 89 HA GLU 89 5.918 1.342 -7.301 670 HB2 GLU 89 1HB GLU 89 7.578 2.780 -8.384 671 HB3 GLU 89 2HB GLU 89 6.331 3.879 -8.939 672 HG2 GLU 89 1HG GLU 89 5.712 4.275 -6.485 673 HG3 GLU 89 2HG GLU 89 7.129 3.343 -6.042 674 H VAL 90 H VAL 90 3.972 1.096 -6.234 675 HA VAL 90 HA VAL 90 1.672 2.585 -6.988 676 HB VAL 90 HB VAL 90 1.407 0.394 -6.123 677 HG11 VAL 90 1HG1 VAL 90 3.205 -0.206 -4.835 678 HG12 VAL 90 2HG1 VAL 90 3.246 1.346 -3.965 679 HG13 VAL 90 3HG1 VAL 90 2.022 0.123 -3.546 680 HG21 VAL 90 1HG2 VAL 90 -0.502 1.383 -5.402 681 HG22 VAL 90 2HG2 VAL 90 0.197 1.066 -3.796 682 HG23 VAL 90 3HG2 VAL 90 0.363 2.676 -4.537 683 H LEU 91 H LEU 91 1.356 4.706 -6.577 684 HA LEU 91 HA LEU 91 2.942 5.985 -4.547 685 HB2 LEU 91 1HB LEU 91 0.815 7.106 -6.377 686 HB3 LEU 91 2HB LEU 91 1.928 8.032 -5.389 687 HG LEU 91 HG LEU 91 2.599 6.314 -7.789 688 HD11 LEU 91 1HD1 LEU 91 3.489 8.499 -8.655 689 HD12 LEU 91 2HD1 LEU 91 1.722 8.425 -8.456 690 HD13 LEU 91 3HD1 LEU 91 2.716 9.291 -7.261 691 HD21 LEU 91 1HD2 LEU 91 4.951 7.429 -7.297 692 HD22 LEU 91 2HD2 LEU 91 4.353 7.382 -5.621 693 HD23 LEU 91 3HD2 LEU 91 4.475 5.878 -6.565 694 H GLU 92 H GLU 92 -0.609 5.605 -5.234 695 HA GLU 92 HA GLU 92 -0.984 5.938 -2.359 696 HB2 GLU 92 1HB GLU 92 -2.919 6.595 -4.624 697 HB3 GLU 92 2HB GLU 92 -3.276 6.770 -2.917 698 HG2 GLU 92 1HG GLU 92 -1.959 8.657 -2.685 699 HG3 GLU 92 2HG GLU 92 -0.756 8.095 -3.829 700 H TRP 93 H TRP 93 -2.987 4.747 -1.490 701 HA TRP 93 HA TRP 93 -3.624 2.367 -3.053 702 HB2 TRP 93 1HB TRP 93 -1.762 1.605 -1.783 703 HB3 TRP 93 2HB TRP 93 -2.358 2.354 -0.315 704 HD1 TRP 93 HD TRP 93 -4.736 1.164 0.701 705 HE1 TRP 93 1HE TRP 93 -5.515 -1.357 0.779 706 HE3 TRP 93 3HE TRP 93 -1.620 -0.460 -2.974 707 HZ2 TRP 93 2HZ TRP 93 -4.757 -3.694 -0.673 708 HZ3 TRP 93 3HZ TRP 93 -1.702 -2.876 -3.583 709 HH2 TRP 93 HH TRP 93 -3.202 -4.473 -2.498 710 H ASN 94 H ASN 94 -5.764 3.088 -3.319 711 HA ASN 94 HA ASN 94 -7.867 3.211 -2.759 712 HB2 ASN 94 1HB ASN 94 -6.778 1.895 -0.457 713 HB3 ASN 94 2HB ASN 94 -7.819 3.159 0.166 714 HD21 ASN 94 1HD2 ASN 94 -8.289 0.414 0.437 715 HD22 ASN 94 2HD2 ASN 94 -9.740 -0.015 -0.406 716 H GLY 95 H GLY 95 -5.614 5.385 -2.408 717 HA2 GLY 95 1HA GLY 95 -6.234 7.699 -2.395 718 HA3 GLY 95 2HA GLY 95 -7.337 7.379 -1.072 719 H ARG 96 H ARG 96 -4.984 5.395 -0.124 720 HA ARG 96 HA ARG 96 -3.875 7.387 1.592 721 HB2 ARG 96 1HB ARG 96 -3.853 4.368 1.452 722 HB3 ARG 96 2HB ARG 96 -2.590 5.148 2.383 723 HG2 ARG 96 1HG ARG 96 -5.375 6.151 2.859 724 HG3 ARG 96 2HG ARG 96 -5.045 4.519 3.407 725 HD2 ARG 96 1HD ARG 96 -3.059 5.356 4.691 726 HD3 ARG 96 2HD ARG 96 -3.397 6.987 4.148 727 HE ARG 96 HE ARG 96 -4.866 5.484 6.197 728 HH11 ARG 96 2HH2 ARG 96 -4.984 8.188 3.948 729 HH12 ARG 96 1HH2 ARG 96 -6.220 9.029 4.825 730 HH21 ARG 96 2HH1 ARG 96 -6.496 6.592 7.353 731 HH22 ARG 96 1HH1 ARG 96 -7.085 8.115 6.775 732 H LEU 97 H LEU 97 -2.053 8.525 1.010 733 HA LEU 97 HA LEU 97 -0.463 7.711 -1.183 734 HB2 LEU 97 1HB LEU 97 -0.876 10.036 -0.661 735 HB3 LEU 97 2HB LEU 97 -0.103 9.865 0.902 736 HG LEU 97 HG LEU 97 1.792 9.022 -1.040 737 HD11 LEU 97 1HD1 LEU 97 0.426 11.621 -1.784 738 HD12 LEU 97 2HD1 LEU 97 2.011 11.091 -2.396 739 HD13 LEU 97 3HD1 LEU 97 0.551 10.145 -2.770 740 HD21 LEU 97 1HD2 LEU 97 2.066 10.150 1.238 741 HD22 LEU 97 2HD2 LEU 97 3.170 10.652 -0.066 742 HD23 LEU 97 3HD2 LEU 97 1.789 11.685 0.379 743 H LEU 98 H LEU 98 1.421 6.555 -1.275 744 HA LEU 98 HA LEU 98 2.294 5.405 1.262 745 HB2 LEU 98 1HB LEU 98 3.031 4.558 -1.537 746 HB3 LEU 98 2HB LEU 98 3.299 3.676 -0.047 747 HG LEU 98 HG LEU 98 0.651 4.218 -1.408 748 HD11 LEU 98 1HD1 LEU 98 0.579 1.672 -1.349 749 HD12 LEU 98 2HD1 LEU 98 1.726 2.424 -2.483 750 HD13 LEU 98 3HD1 LEU 98 2.312 1.739 -0.948 751 HD21 LEU 98 1HD2 LEU 98 1.218 3.670 1.405 752 HD22 LEU 98 2HD2 LEU 98 -0.287 4.199 0.615 753 HD23 LEU 98 3HD2 LEU 98 0.130 2.469 0.667 754 H GLN 99 H GLN 99 3.160 7.715 -1.221 755 HA GLN 99 HA GLN 99 5.881 7.625 -1.098 756 HB2 GLN 99 1HB GLN 99 3.823 9.665 -1.777 757 HB3 GLN 99 2HB GLN 99 5.392 10.324 -1.361 758 HG2 GLN 99 1HG GLN 99 6.335 8.484 -3.004 759 HG3 GLN 99 2HG GLN 99 4.691 8.406 -3.605 760 HE21 GLN 99 1HE2 GLN 99 5.588 9.136 -5.604 761 HE22 GLN 99 2HE2 GLN 99 5.870 10.820 -5.896 762 H GLY 100 H GLY 100 7.276 7.792 0.597 763 HA2 GLY 100 1HA GLY 100 8.258 8.977 2.340 764 HA3 GLY 100 2HA GLY 100 6.747 9.809 2.651 765 H ALA 101 H ALA 101 5.075 7.334 2.543 766 HA ALA 101 HA ALA 101 5.066 6.690 5.220 767 HB1 ALA 101 1HB ALA 101 3.589 4.826 4.511 768 HB2 ALA 101 2HB ALA 101 3.177 6.349 3.686 769 HB3 ALA 101 3HB ALA 101 4.088 5.086 2.822 770 H THR 102 H THR 102 5.907 4.981 6.468 771 HA THR 102 HA THR 102 8.363 3.876 5.425 772 HB THR 102 HB THR 102 8.814 3.426 7.722 773 HG1 THR 102 1HG THR 102 5.912 3.673 8.077 774 HG21 THR 102 1HG2 THR 102 8.291 5.402 8.912 775 HG22 THR 102 2HG2 THR 102 8.111 5.950 7.228 776 HG23 THR 102 3HG2 THR 102 6.671 5.524 8.185 777 H PHE 103 H PHE 103 8.821 1.469 6.081 778 HA PHE 103 HA PHE 103 7.363 -0.109 4.389 779 HB2 PHE 103 1HB PHE 103 9.582 -0.713 5.266 780 HB3 PHE 103 2HB PHE 103 9.016 -0.624 6.922 781 HD1 PHE 103 2HD PHE 103 8.728 -2.591 3.797 782 HD2 PHE 103 1HD PHE 103 8.115 -2.519 7.995 783 HE1 PHE 103 2HE PHE 103 8.263 -5.058 3.771 784 HE2 PHE 103 1HE PHE 103 7.651 -4.985 7.970 785 HZ PHE 103 HZ PHE 103 7.731 -6.226 5.858 786 H GLU 104 H GLU 104 6.935 0.425 7.934 787 HA GLU 104 HA GLU 104 4.962 -1.545 8.187 788 HB2 GLU 104 1HB GLU 104 5.674 0.872 9.900 789 HB3 GLU 104 2HB GLU 104 4.476 -0.315 10.376 790 HG2 GLU 104 1HG GLU 104 6.148 -2.113 10.335 791 HG3 GLU 104 2HG GLU 104 7.354 -1.037 9.656 792 H GLU 105 H GLU 105 4.836 2.067 7.852 793 HA GLU 105 HA GLU 105 2.166 2.405 8.067 794 HB2 GLU 105 1HB GLU 105 4.346 3.824 6.560 795 HB3 GLU 105 2HB GLU 105 2.694 4.287 6.208 796 HG2 GLU 105 1HG GLU 105 2.306 4.617 8.692 797 HG3 GLU 105 2HG GLU 105 4.002 4.271 8.968 798 H VAL 106 H VAL 106 3.973 1.955 4.934 799 HA VAL 106 HA VAL 106 1.862 1.841 3.243 800 HB VAL 106 HB VAL 106 4.426 0.242 3.254 801 HG11 VAL 106 1HG1 VAL 106 2.937 0.837 0.724 802 HG12 VAL 106 2HG1 VAL 106 4.048 -0.499 1.112 803 HG13 VAL 106 3HG1 VAL 106 2.382 -0.516 1.738 804 HG21 VAL 106 1HG2 VAL 106 5.179 1.989 1.655 805 HG22 VAL 106 2HG2 VAL 106 3.650 2.860 1.924 806 HG23 VAL 106 3HG2 VAL 106 4.798 2.641 3.267 807 H TYR 107 H TYR 107 3.244 -0.894 5.180 808 HA TYR 107 HA TYR 107 1.462 -2.826 4.244 809 HB2 TYR 107 1HB TYR 107 3.683 -2.910 5.662 810 HB3 TYR 107 2HB TYR 107 2.686 -2.518 7.049 811 HD1 TYR 107 2HD TYR 107 0.417 -4.129 7.079 812 HD2 TYR 107 1HD TYR 107 4.263 -5.141 5.502 813 HE1 TYR 107 2HE TYR 107 -0.092 -6.599 7.402 814 HE2 TYR 107 1HE TYR 107 3.741 -7.608 5.831 815 HH TYR 107 HH TYR 107 2.334 -8.986 7.162 816 H ASN 108 H ASN 108 1.401 -0.933 7.353 817 HA ASN 108 HA ASN 108 -0.823 -1.885 8.429 818 HB2 ASN 108 1HB ASN 108 0.338 0.906 8.288 819 HB3 ASN 108 2HB ASN 108 -1.235 0.720 9.037 820 HD21 ASN 108 1HD2 ASN 108 1.646 1.262 9.941 821 HD22 ASN 108 2HD2 ASN 108 1.883 0.222 11.307 822 H ILE 109 H ILE 109 -0.570 0.629 5.827 823 HA ILE 109 HA ILE 109 -3.212 1.341 5.630 824 HB ILE 109 HB ILE 109 -1.044 1.123 3.547 825 HG12 ILE 109 1HG1 ILE 109 -2.141 3.602 4.884 826 HG13 ILE 109 2HG1 ILE 109 -0.819 2.680 5.572 827 HG21 ILE 109 1HG2 ILE 109 -2.469 1.641 1.929 828 HG22 ILE 109 2HG2 ILE 109 -3.813 1.421 3.075 829 HG23 ILE 109 3HG2 ILE 109 -3.081 3.029 2.860 830 HD11 ILE 109 1HD1 ILE 109 -0.798 4.538 3.309 831 HD12 ILE 109 2HD1 ILE 109 0.570 3.872 4.233 832 HD13 ILE 109 3HD1 ILE 109 -0.105 2.961 2.860 833 H ILE 110 H ILE 110 -1.654 -0.919 3.259 834 HA ILE 110 HA ILE 110 -3.889 -1.956 2.192 835 HB ILE 110 HB ILE 110 -1.280 -3.325 2.838 836 HG12 ILE 110 1HG1 ILE 110 -1.959 -2.542 0.072 837 HG13 ILE 110 2HG1 ILE 110 -1.754 -1.200 1.180 838 HG21 ILE 110 1HG2 ILE 110 -2.094 -5.248 2.099 839 HG22 ILE 110 2HG2 ILE 110 -3.703 -4.509 1.914 840 HG23 ILE 110 3HG2 ILE 110 -2.547 -4.474 0.561 841 HD11 ILE 110 1HD1 ILE 110 0.357 -2.132 -0.051 842 HD12 ILE 110 2HD1 ILE 110 0.485 -1.780 1.689 843 HD13 ILE 110 3HD1 ILE 110 0.272 -3.458 1.134 844 H LEU 111 H LEU 111 -2.629 -2.498 5.451 845 HA LEU 111 HA LEU 111 -4.150 -4.830 5.962 846 HB2 LEU 111 1HB LEU 111 -2.139 -3.351 7.218 847 HB3 LEU 111 2HB LEU 111 -3.514 -3.238 8.298 848 HG LEU 111 HG LEU 111 -2.169 -5.764 7.311 849 HD11 LEU 111 1HD1 LEU 111 -2.015 -4.136 9.767 850 HD12 LEU 111 2HD1 LEU 111 -2.180 -5.889 10.026 851 HD13 LEU 111 3HD1 LEU 111 -0.835 -5.257 9.046 852 HD21 LEU 111 1HD2 LEU 111 -4.010 -6.430 9.321 853 HD22 LEU 111 2HD2 LEU 111 -4.894 -5.375 8.192 854 HD23 LEU 111 3HD2 LEU 111 -4.088 -6.844 7.591 855 H GLU 112 H GLU 112 -4.553 -1.398 7.106 856 HA GLU 112 HA GLU 112 -7.001 -1.761 8.229 857 HB2 GLU 112 1HB GLU 112 -5.929 0.715 6.803 858 HB3 GLU 112 2HB GLU 112 -7.293 0.712 7.903 859 HG2 GLU 112 1HG GLU 112 -5.307 -0.618 9.367 860 HG3 GLU 112 2HG GLU 112 -4.400 0.607 8.501 861 H SER 113 H SER 113 -6.119 -1.839 4.866 862 HA SER 113 HA SER 113 -8.896 -1.420 4.113 863 HB2 SER 113 1HB SER 113 -8.095 -1.043 1.854 864 HB3 SER 113 2HB SER 113 -7.129 -0.069 2.944 865 HG SER 113 HG SER 113 -6.321 -2.691 2.019 866 H LYS 114 H LYS 114 -7.766 -3.865 5.467 867 HA LYS 114 HA LYS 114 -7.476 -5.877 3.490 868 HB2 LYS 114 1HB LYS 114 -7.594 -5.719 6.456 869 HB3 LYS 114 2HB LYS 114 -8.062 -7.251 5.746 870 HG2 LYS 114 1HG LYS 114 -5.650 -6.152 4.461 871 HG3 LYS 114 2HG LYS 114 -5.430 -6.344 6.189 872 HD2 LYS 114 1HD LYS 114 -6.783 -8.700 5.305 873 HD3 LYS 114 2HD LYS 114 -5.527 -8.394 4.122 874 HE2 LYS 114 1HE LYS 114 -3.887 -8.122 6.080 875 HE3 LYS 114 2HE LYS 114 -5.164 -8.686 7.139 876 HZ1 LYS 114 1HZ LYS 114 -4.596 -10.720 6.579 877 HZ2 LYS 114 2HZ LYS 114 -5.032 -10.449 5.028 878 HZ3 LYS 114 3HZ LYS 114 -3.489 -10.193 5.500 879 HA PRO 115 HA PRO 115 -12.025 -6.619 4.546 880 HB2 PRO 115 1HB PRO 115 -13.418 -4.751 5.973 881 HB3 PRO 115 2HB PRO 115 -12.696 -6.171 6.703 882 HG2 PRO 115 1HG PRO 115 -11.777 -3.363 6.807 883 HG3 PRO 115 2HG PRO 115 -11.336 -4.702 7.848 884 HD2 PRO 115 1HD PRO 115 -9.755 -3.578 5.735 885 HD3 PRO 115 2HD PRO 115 -9.366 -4.989 6.699 886 H GLU 116 H GLU 116 -10.919 -3.471 3.752 887 HA GLU 116 HA GLU 116 -12.962 -2.272 2.615 888 HB2 GLU 116 1HB GLU 116 -10.080 -2.437 2.045 889 HB3 GLU 116 2HB GLU 116 -11.005 -2.018 0.617 890 HG2 GLU 116 1HG GLU 116 -11.962 -0.554 2.982 891 HG3 GLU 116 2HG GLU 116 -10.254 -0.276 2.708 892 HA PRO 117 HA PRO 117 -14.551 -4.903 -0.462 893 HB2 PRO 117 1HB PRO 117 -16.206 -3.155 -1.756 894 HB3 PRO 117 2HB PRO 117 -16.648 -3.971 -0.269 895 HG2 PRO 117 1HG PRO 117 -15.847 -1.154 -0.669 896 HG3 PRO 117 2HG PRO 117 -16.686 -1.874 0.690 897 HD2 PRO 117 1HD PRO 117 -13.921 -1.119 0.585 898 HD3 PRO 117 2HD PRO 117 -14.732 -1.944 1.900 899 H GLN 118 H GLN 118 -12.997 -1.932 -1.317 900 HA GLN 118 HA GLN 118 -12.053 -3.313 -3.685 901 HB2 GLN 118 1HB GLN 118 -12.421 -1.367 -5.111 902 HB3 GLN 118 2HB GLN 118 -13.944 -1.837 -4.382 903 HG2 GLN 118 1HG GLN 118 -12.989 -0.065 -2.489 904 HG3 GLN 118 2HG GLN 118 -12.318 0.625 -3.954 905 HE21 GLN 118 1HE2 GLN 118 -13.771 0.997 -5.767 906 HE22 GLN 118 2HE2 GLN 118 -15.414 1.463 -5.475 907 H VAL 119 H VAL 119 -10.222 -1.739 -4.743 908 HA VAL 119 HA VAL 119 -8.808 -0.243 -2.726 909 HB VAL 119 HB VAL 119 -7.592 -2.736 -3.934 910 HG11 VAL 119 1HG1 VAL 119 -6.132 -0.656 -3.420 911 HG12 VAL 119 2HG1 VAL 119 -6.412 -1.071 -1.711 912 HG13 VAL 119 3HG1 VAL 119 -5.613 -2.239 -2.791 913 HG21 VAL 119 1HG2 VAL 119 -7.567 -3.560 -1.564 914 HG22 VAL 119 2HG2 VAL 119 -8.606 -2.182 -1.128 915 HG23 VAL 119 3HG2 VAL 119 -9.193 -3.413 -2.272 916 H GLU 120 H GLU 120 -8.309 1.587 -3.807 917 HA GLU 120 HA GLU 120 -7.903 1.352 -6.662 918 HB2 GLU 120 1HB GLU 120 -9.527 3.036 -5.823 919 HB3 GLU 120 2HB GLU 120 -8.260 3.811 -4.892 920 HG2 GLU 120 1HG GLU 120 -7.032 3.868 -7.294 921 HG3 GLU 120 2HG GLU 120 -8.683 3.786 -7.876 922 H LEU 121 H LEU 121 -5.830 1.026 -7.341 923 HA LEU 121 HA LEU 121 -3.678 2.026 -5.649 924 HB2 LEU 121 1HB LEU 121 -3.618 0.143 -8.011 925 HB3 LEU 121 2HB LEU 121 -2.251 0.574 -7.003 926 HG LEU 121 HG LEU 121 -4.550 -1.242 -6.431 927 HD11 LEU 121 1HD1 LEU 121 -2.860 -2.701 -5.596 928 HD12 LEU 121 2HD1 LEU 121 -2.268 -2.020 -7.130 929 HD13 LEU 121 3HD1 LEU 121 -1.650 -1.396 -5.582 930 HD21 LEU 121 1HD2 LEU 121 -4.841 0.349 -4.652 931 HD22 LEU 121 2HD2 LEU 121 -4.084 -1.120 -3.990 932 HD23 LEU 121 3HD2 LEU 121 -3.099 0.332 -4.288 933 H VAL 122 H VAL 122 -1.748 3.017 -6.813 934 HA VAL 122 HA VAL 122 -2.447 4.369 -9.277 935 HB VAL 122 HB VAL 122 -1.581 5.981 -6.883 936 HG11 VAL 122 1HG1 VAL 122 -2.405 6.555 -9.704 937 HG12 VAL 122 2HG1 VAL 122 -2.816 7.741 -8.442 938 HG13 VAL 122 3HG1 VAL 122 -1.117 7.285 -8.716 939 HG21 VAL 122 1HG2 VAL 122 -3.772 4.937 -6.389 940 HG22 VAL 122 2HG2 VAL 122 -3.886 6.703 -6.574 941 HG23 VAL 122 3HG2 VAL 122 -4.425 5.634 -7.891 942 H VAL 123 H VAL 123 -0.762 3.604 -10.476 943 HA VAL 123 HA VAL 123 1.884 3.674 -9.212 944 HB VAL 123 HB VAL 123 2.327 2.235 -11.385 945 HG11 VAL 123 1HG1 VAL 123 1.080 1.336 -8.780 946 HG12 VAL 123 2HG1 VAL 123 1.657 0.181 -10.006 947 HG13 VAL 123 3HG1 VAL 123 2.795 1.326 -9.257 948 HG21 VAL 123 1HG2 VAL 123 0.444 0.844 -12.023 949 HG22 VAL 123 2HG2 VAL 123 -0.611 1.676 -10.856 950 HG23 VAL 123 3HG2 VAL 123 0.023 2.557 -12.267 951 H SER 124 H SER 124 3.619 4.742 -10.247 952 HA SER 124 HA SER 124 2.781 6.383 -12.508 953 HB2 SER 124 1HB SER 124 2.946 7.726 -10.411 954 HB3 SER 124 2HB SER 124 4.607 7.207 -10.206 955 HG SER 124 HG SER 124 4.063 8.314 -12.732 956 H ARG 125 H ARG 125 3.902 5.675 -14.287 957 HA ARG 125 HA ARG 125 6.653 4.851 -13.801 958 HB2 ARG 125 1HB ARG 125 6.340 3.467 -15.949 959 HB3 ARG 125 2HB ARG 125 5.443 2.910 -14.551 960 HG2 ARG 125 1HG ARG 125 3.391 3.997 -15.361 961 HG3 ARG 125 2HG ARG 125 4.262 4.752 -16.681 962 HD2 ARG 125 1HD ARG 125 3.026 2.731 -17.452 963 HD3 ARG 125 2HD ARG 125 4.753 2.544 -17.681 964 HE ARG 125 HE ARG 125 4.258 1.492 -15.133 965 HH11 ARG 125 2HH2 ARG 125 3.125 0.835 -18.399 966 HH12 ARG 125 1HH2 ARG 125 2.838 -0.847 -18.098 967 HH21 ARG 125 2HH1 ARG 125 3.879 -0.726 -14.735 968 HH22 ARG 125 1HH1 ARG 125 3.269 -1.740 -16.000 969 H SER 126 H SER 126 8.168 5.261 -15.700 970 HA SER 126 HA SER 126 7.671 7.885 -16.679 971 HB2 SER 126 1HB SER 126 9.947 7.928 -17.236 972 HB3 SER 126 2HB SER 126 9.925 6.817 -15.881 973 HG SER 126 HG SER 126 10.501 5.181 -17.161 974 H GLY 127 H GLY 127 6.910 8.446 -18.705 975 HA2 GLY 127 1HA GLY 127 5.837 6.469 -20.413 976 HA3 GLY 127 2HA GLY 127 5.986 8.184 -20.740 977 HA PRO 128 HA PRO 128 8.921 6.079 -23.486 978 HB2 PRO 128 1HB PRO 128 8.031 7.127 -25.847 979 HB3 PRO 128 2HB PRO 128 7.502 5.576 -25.228 980 HG2 PRO 128 1HG PRO 128 6.043 8.146 -25.280 981 HG3 PRO 128 2HG PRO 128 5.407 6.527 -25.069 982 HD2 PRO 128 1HD PRO 128 5.798 8.497 -23.021 983 HD3 PRO 128 2HD PRO 128 5.273 6.840 -22.795 984 H SER 129 H SER 129 10.952 6.785 -23.711 985 HA SER 129 HA SER 129 11.298 9.438 -24.658 986 HB2 SER 129 1HB SER 129 12.282 8.800 -21.843 987 HB3 SER 129 2HB SER 129 12.518 10.306 -22.707 988 HG SER 129 HG SER 129 9.960 10.145 -22.814 989 H SER 130 H SER 130 12.911 9.090 -26.138 990 HA SER 130 HA SER 130 15.228 7.631 -25.214 991 HB2 SER 130 1HB SER 130 13.306 6.609 -27.145 992 HB3 SER 130 2HB SER 130 14.856 6.840 -27.928 993 HG SER 130 HG SER 130 14.705 4.727 -26.975 994 H GLY 131 H GLY 131 13.744 9.228 -28.136 995 HA2 GLY 131 1HA GLY 131 16.305 10.386 -28.861 996 HA3 GLY 131 2HA GLY 131 14.790 10.496 -29.734 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -39.261 -1.541 -15.050 2 HA2 GLY 1 1HA GLY 1 -37.069 -0.716 -13.952 3 HA3 GLY 1 2HA GLY 1 -37.312 -2.114 -12.924 4 H SER 2 H SER 2 -35.029 -1.842 -14.599 5 HA SER 2 HA SER 2 -33.813 -3.076 -15.913 6 HB2 SER 2 1HB SER 2 -35.958 -4.885 -15.216 7 HB3 SER 2 2HB SER 2 -35.535 -5.154 -16.895 8 HG SER 2 HG SER 2 -33.693 -5.152 -14.656 9 H SER 3 H SER 3 -37.160 -3.485 -17.305 10 HA SER 3 HA SER 3 -36.275 -3.109 -19.913 11 HB2 SER 3 1HB SER 3 -38.941 -3.182 -18.521 12 HB3 SER 3 2HB SER 3 -38.900 -2.545 -20.153 13 HG SER 3 HG SER 3 -39.236 -4.970 -19.812 14 H GLY 4 H GLY 4 -38.216 -0.928 -17.729 15 HA2 GLY 4 1HA GLY 4 -36.958 1.378 -19.066 16 HA3 GLY 4 2HA GLY 4 -38.702 1.282 -18.926 17 H SER 5 H SER 5 -39.381 2.660 -17.341 18 HA SER 5 HA SER 5 -39.563 3.659 -15.425 19 HB2 SER 5 1HB SER 5 -38.371 1.029 -14.609 20 HB3 SER 5 2HB SER 5 -38.392 2.293 -13.395 21 HG SER 5 HG SER 5 -40.546 0.887 -14.585 22 H SER 6 H SER 6 -38.324 5.533 -15.832 23 HA SER 6 HA SER 6 -36.710 6.966 -15.616 24 HB2 SER 6 1HB SER 6 -36.717 5.579 -13.199 25 HB3 SER 6 2HB SER 6 -35.029 5.508 -13.665 26 HG SER 6 HG SER 6 -36.664 7.870 -13.329 27 H GLY 7 H GLY 7 -34.322 7.378 -16.059 28 HA2 GLY 7 1HA GLY 7 -33.373 5.449 -17.998 29 HA3 GLY 7 2HA GLY 7 -32.721 7.039 -17.654 30 H HIS 8 H HIS 8 -30.535 6.372 -17.477 31 HA HIS 8 HA HIS 8 -28.730 5.620 -16.484 32 HB2 HIS 8 1HB HIS 8 -30.618 5.848 -14.172 33 HB3 HIS 8 2HB HIS 8 -29.078 5.054 -13.910 34 HD1 HIS 8 1HD HIS 8 -28.613 7.166 -12.287 35 HD2 HIS 8 2HD HIS 8 -28.785 7.990 -16.396 36 HE1 HIS 8 1HE HIS 8 -27.549 9.464 -12.600 37 H SER 9 H SER 9 -27.994 3.719 -17.289 38 HA SER 9 HA SER 9 -28.803 1.331 -15.975 39 HB2 SER 9 1HB SER 9 -29.914 2.049 -18.618 40 HB3 SER 9 2HB SER 9 -29.120 0.487 -18.617 41 HG SER 9 HG SER 9 -30.709 0.829 -16.361 42 H HIS 10 H HIS 10 -27.285 2.594 -19.037 43 HA HIS 10 HA HIS 10 -25.446 0.704 -19.488 44 HB2 HIS 10 1HB HIS 10 -25.905 3.345 -20.300 45 HB3 HIS 10 2HB HIS 10 -24.242 3.342 -19.746 46 HD1 HIS 10 1HD HIS 10 -23.092 3.440 -22.016 47 HD2 HIS 10 2HD HIS 10 -25.836 0.283 -21.699 48 HE1 HIS 10 1HE HIS 10 -22.759 1.993 -24.090 49 H SER 11 H SER 11 -23.204 0.335 -18.899 50 HA SER 11 HA SER 11 -22.361 1.676 -16.482 51 HB2 SER 11 1HB SER 11 -22.731 -1.332 -16.761 52 HB3 SER 11 2HB SER 11 -21.676 -0.633 -15.548 53 HG SER 11 HG SER 11 -23.479 -0.567 -14.378 54 H ASP 12 H ASP 12 -20.860 2.660 -18.067 55 HA ASP 12 HA ASP 12 -18.820 0.755 -18.909 56 HB2 ASP 12 1HB ASP 12 -20.060 3.144 -20.207 57 HB3 ASP 12 2HB ASP 12 -18.321 3.030 -20.387 58 H LYS 13 H LYS 13 -17.913 1.079 -16.650 59 HA LYS 13 HA LYS 13 -16.280 3.498 -16.582 60 HB2 LYS 13 1HB LYS 13 -18.188 2.575 -14.436 61 HB3 LYS 13 2HB LYS 13 -16.759 3.506 -14.034 62 HG2 LYS 13 1HG LYS 13 -17.765 4.963 -16.164 63 HG3 LYS 13 2HG LYS 13 -19.242 4.361 -15.438 64 HD2 LYS 13 1HD LYS 13 -17.447 5.269 -13.336 65 HD3 LYS 13 2HD LYS 13 -17.609 6.533 -14.540 66 HE2 LYS 13 1HE LYS 13 -19.451 7.003 -13.178 67 HE3 LYS 13 2HE LYS 13 -20.202 5.979 -14.385 68 HZ1 LYS 13 1HZ LYS 13 -19.460 5.318 -11.653 69 HZ2 LYS 13 2HZ LYS 13 -20.854 5.013 -12.447 70 HZ3 LYS 13 3HZ LYS 13 -19.524 4.120 -12.762 71 H HIS 14 H HIS 14 -14.534 2.177 -17.302 72 HA HIS 14 HA HIS 14 -13.875 -0.272 -16.262 73 HB2 HIS 14 1HB HIS 14 -11.892 1.830 -17.161 74 HB3 HIS 14 2HB HIS 14 -11.687 0.089 -17.190 75 HD1 HIS 14 1HD HIS 14 -12.964 -1.254 -19.064 76 HD2 HIS 14 2HD HIS 14 -13.358 2.915 -19.306 77 HE1 HIS 14 1HE HIS 14 -13.915 -0.759 -21.380 78 HA PRO 15 HA PRO 15 -12.439 0.581 -12.271 79 HB2 PRO 15 1HB PRO 15 -10.903 -1.627 -11.789 80 HB3 PRO 15 2HB PRO 15 -12.649 -1.626 -11.648 81 HG2 PRO 15 1HG PRO 15 -10.963 -2.783 -13.783 82 HG3 PRO 15 2HG PRO 15 -12.638 -3.127 -13.399 83 HD2 PRO 15 1HD PRO 15 -11.670 -1.512 -15.563 84 HD3 PRO 15 2HD PRO 15 -13.344 -1.762 -15.110 85 H VAL 16 H VAL 16 -9.867 -0.584 -14.390 86 HA VAL 16 HA VAL 16 -8.040 1.183 -12.963 87 HB VAL 16 HB VAL 16 -6.330 -0.110 -13.790 88 HG11 VAL 16 1HG1 VAL 16 -6.824 -2.082 -12.839 89 HG12 VAL 16 2HG1 VAL 16 -8.462 -1.423 -12.616 90 HG13 VAL 16 3HG1 VAL 16 -8.097 -2.439 -14.031 91 HG21 VAL 16 1HG2 VAL 16 -6.427 -1.524 -15.784 92 HG22 VAL 16 2HG2 VAL 16 -8.143 -1.111 -16.012 93 HG23 VAL 16 3HG2 VAL 16 -6.896 0.148 -16.176 94 H THR 17 H THR 17 -6.688 2.714 -14.147 95 HA THR 17 HA THR 17 -7.460 3.333 -16.862 96 HB THR 17 HB THR 17 -7.826 5.824 -15.805 97 HG1 THR 17 1HG THR 17 -7.633 5.041 -13.618 98 HG21 THR 17 1HG2 THR 17 -10.161 3.927 -15.496 99 HG22 THR 17 2HG2 THR 17 -10.125 5.554 -16.217 100 HG23 THR 17 3HG2 THR 17 -9.483 4.164 -17.125 101 H TRP 18 H TRP 18 -5.674 3.824 -17.963 102 HA TRP 18 HA TRP 18 -3.392 4.782 -16.380 103 HB2 TRP 18 1HB TRP 18 -3.543 3.121 -18.893 104 HB3 TRP 18 2HB TRP 18 -2.069 3.911 -18.369 105 HD1 TRP 18 HD TRP 18 -4.404 1.015 -17.366 106 HE1 TRP 18 1HE TRP 18 -3.239 -0.600 -15.634 107 HE3 TRP 18 3HE TRP 18 -0.315 3.937 -16.596 108 HZ2 TRP 18 2HZ TRP 18 -0.793 -0.476 -14.169 109 HZ3 TRP 18 3HZ TRP 18 1.415 3.117 -14.999 110 HH2 TRP 18 HH TRP 18 1.225 0.993 -13.806 111 H GLN 19 H GLN 19 -3.269 6.988 -16.545 112 HA GLN 19 HA GLN 19 -3.493 8.065 -19.231 113 HB2 GLN 19 1HB GLN 19 -4.887 9.156 -16.751 114 HB3 GLN 19 2HB GLN 19 -4.687 10.086 -18.222 115 HG2 GLN 19 1HG GLN 19 -5.906 7.317 -18.377 116 HG3 GLN 19 2HG GLN 19 -6.894 8.657 -17.831 117 HE21 GLN 19 1HE2 GLN 19 -7.167 7.068 -20.214 118 HE22 GLN 19 2HE2 GLN 19 -7.064 8.124 -21.582 119 HA PRO 20 HA PRO 20 0.094 10.186 -18.020 120 HB2 PRO 20 1HB PRO 20 0.139 12.259 -19.801 121 HB3 PRO 20 2HB PRO 20 0.662 10.636 -20.206 122 HG2 PRO 20 1HG PRO 20 -1.835 12.022 -20.967 123 HG3 PRO 20 2HG PRO 20 -1.105 10.601 -21.687 124 HD2 PRO 20 1HD PRO 20 -3.366 10.662 -19.923 125 HD3 PRO 20 2HD PRO 20 -2.564 9.236 -20.550 126 H SER 21 H SER 21 1.064 12.023 -16.966 127 HA SER 21 HA SER 21 -0.838 13.166 -15.250 128 HB2 SER 21 1HB SER 21 0.998 14.036 -14.087 129 HB3 SER 21 2HB SER 21 1.706 12.643 -14.880 130 HG SER 21 HG SER 21 3.109 14.355 -15.270 131 H LYS 22 H LYS 22 -0.280 15.820 -14.877 132 HA LYS 22 HA LYS 22 -1.734 17.094 -16.821 133 HB2 LYS 22 1HB LYS 22 -0.966 17.773 -14.389 134 HB3 LYS 22 2HB LYS 22 0.330 18.591 -15.237 135 HG2 LYS 22 1HG LYS 22 -2.480 18.980 -16.261 136 HG3 LYS 22 2HG LYS 22 -2.037 19.787 -14.770 137 HD2 LYS 22 1HD LYS 22 -0.005 20.036 -16.929 138 HD3 LYS 22 2HD LYS 22 -1.547 20.773 -17.315 139 HE2 LYS 22 1HE LYS 22 -0.212 21.292 -14.632 140 HE3 LYS 22 2HE LYS 22 0.249 22.210 -16.052 141 HZ1 LYS 22 1HZ LYS 22 -1.821 23.140 -16.199 142 HZ2 LYS 22 2HZ LYS 22 -2.571 21.953 -15.364 143 HZ3 LYS 22 3HZ LYS 22 -1.644 23.044 -14.578 144 H ASP 23 H ASP 23 1.870 16.961 -16.433 145 HA ASP 23 HA ASP 23 2.360 18.485 -18.700 146 HB2 ASP 23 1HB ASP 23 3.871 17.418 -16.661 147 HB3 ASP 23 2HB ASP 23 4.330 16.353 -17.975 148 H GLY 24 H GLY 24 2.984 14.925 -18.159 149 HA2 GLY 24 1HA GLY 24 1.725 13.473 -19.795 150 HA3 GLY 24 2HA GLY 24 2.455 14.477 -21.032 151 H ASP 25 H ASP 25 4.995 14.824 -19.378 152 HA ASP 25 HA ASP 25 6.468 12.863 -20.554 153 HB2 ASP 25 1HB ASP 25 6.869 15.010 -18.662 154 HB3 ASP 25 2HB ASP 25 7.734 13.606 -18.068 155 H ARG 26 H ARG 26 4.397 12.759 -17.747 156 HA ARG 26 HA ARG 26 5.644 10.259 -16.931 157 HB2 ARG 26 1HB ARG 26 4.107 12.376 -15.382 158 HB3 ARG 26 2HB ARG 26 4.200 10.739 -14.764 159 HG2 ARG 26 1HG ARG 26 6.720 12.209 -15.610 160 HG3 ARG 26 2HG ARG 26 6.025 12.481 -14.025 161 HD2 ARG 26 1HD ARG 26 6.708 10.438 -13.238 162 HD3 ARG 26 2HD ARG 26 6.230 9.605 -14.704 163 HE ARG 26 HE ARG 26 8.476 11.089 -15.453 164 HH11 ARG 26 2HH2 ARG 26 7.786 8.641 -13.022 165 HH12 ARG 26 1HH2 ARG 26 9.401 8.017 -13.006 166 HH21 ARG 26 2HH1 ARG 26 10.608 10.267 -15.434 167 HH22 ARG 26 1HH1 ARG 26 11.018 8.948 -14.387 168 H LEU 27 H LEU 27 4.016 8.586 -16.048 169 HA LEU 27 HA LEU 27 1.427 8.871 -17.399 170 HB2 LEU 27 1HB LEU 27 3.355 7.314 -18.399 171 HB3 LEU 27 2HB LEU 27 2.697 6.189 -17.229 172 HG LEU 27 HG LEU 27 1.226 5.602 -18.789 173 HD11 LEU 27 1HD1 LEU 27 -0.046 8.322 -18.804 174 HD12 LEU 27 2HD1 LEU 27 -0.801 6.711 -18.817 175 HD13 LEU 27 3HD1 LEU 27 -0.057 7.332 -17.325 176 HD21 LEU 27 1HD2 LEU 27 2.195 6.189 -20.739 177 HD22 LEU 27 2HD2 LEU 27 0.857 7.362 -20.803 178 HD23 LEU 27 3HD2 LEU 27 2.464 7.874 -20.230 179 H ILE 28 H ILE 28 -0.130 8.949 -15.877 180 HA ILE 28 HA ILE 28 0.419 7.698 -13.310 181 HB ILE 28 HB ILE 28 -1.908 9.436 -14.124 182 HG12 ILE 28 1HG1 ILE 28 -0.045 10.803 -14.553 183 HG13 ILE 28 2HG1 ILE 28 -0.588 11.259 -12.950 184 HG21 ILE 28 1HG2 ILE 28 -2.642 9.245 -12.033 185 HG22 ILE 28 2HG2 ILE 28 -1.498 7.894 -11.849 186 HG23 ILE 28 3HG2 ILE 28 -1.022 9.536 -11.355 187 HD11 ILE 28 1HD1 ILE 28 1.908 9.830 -13.778 188 HD12 ILE 28 2HD1 ILE 28 1.651 11.001 -12.463 189 HD13 ILE 28 3HD1 ILE 28 1.163 9.303 -12.249 190 H GLY 29 H GLY 29 -0.162 5.624 -12.993 191 HA2 GLY 29 1HA GLY 29 -2.363 4.550 -14.633 192 HA3 GLY 29 2HA GLY 29 -1.077 3.627 -13.880 193 H ARG 30 H ARG 30 -4.207 3.704 -13.685 194 HA ARG 30 HA ARG 30 -4.213 3.738 -10.774 195 HB2 ARG 30 1HB ARG 30 -5.897 5.204 -12.646 196 HB3 ARG 30 2HB ARG 30 -6.897 4.097 -11.726 197 HG2 ARG 30 1HG ARG 30 -6.218 5.047 -9.625 198 HG3 ARG 30 2HG ARG 30 -4.849 5.872 -10.344 199 HD2 ARG 30 1HD ARG 30 -7.193 6.772 -11.745 200 HD3 ARG 30 2HD ARG 30 -7.572 6.825 -10.034 201 HE ARG 30 HE ARG 30 -5.022 7.945 -10.200 202 HH11 ARG 30 2HH2 ARG 30 -8.148 8.633 -11.661 203 HH12 ARG 30 1HH2 ARG 30 -7.844 10.331 -11.819 204 HH21 ARG 30 2HH1 ARG 30 -4.620 10.185 -10.408 205 HH22 ARG 30 1HH1 ARG 30 -5.823 11.219 -11.101 206 H ILE 31 H ILE 31 -4.825 1.789 -9.852 207 HA ILE 31 HA ILE 31 -6.244 -0.094 -11.605 208 HB ILE 31 HB ILE 31 -3.893 -0.517 -9.785 209 HG12 ILE 31 1HG1 ILE 31 -3.432 -1.993 -11.992 210 HG13 ILE 31 2HG1 ILE 31 -4.480 -0.776 -12.693 211 HG21 ILE 31 1HG2 ILE 31 -5.869 -2.607 -10.732 212 HG22 ILE 31 2HG2 ILE 31 -4.249 -2.967 -10.087 213 HG23 ILE 31 3HG2 ILE 31 -5.462 -2.175 -9.053 214 HD11 ILE 31 1HD1 ILE 31 -1.758 -0.477 -12.282 215 HD12 ILE 31 2HD1 ILE 31 -2.905 0.866 -12.503 216 HD13 ILE 31 3HD1 ILE 31 -2.441 0.354 -10.863 217 H LEU 32 H LEU 32 -8.255 -0.506 -10.881 218 HA LEU 32 HA LEU 32 -8.694 -0.208 -7.993 219 HB2 LEU 32 1HB LEU 32 -9.853 1.456 -9.328 220 HB3 LEU 32 2HB LEU 32 -10.584 0.204 -10.313 221 HG LEU 32 HG LEU 32 -11.962 1.343 -8.428 222 HD11 LEU 32 1HD1 LEU 32 -12.379 -0.838 -9.856 223 HD12 LEU 32 2HD1 LEU 32 -12.159 -1.637 -8.280 224 HD13 LEU 32 3HD1 LEU 32 -13.432 -0.410 -8.486 225 HD21 LEU 32 1HD2 LEU 32 -9.983 0.649 -6.789 226 HD22 LEU 32 2HD2 LEU 32 -11.675 0.754 -6.249 227 HD23 LEU 32 3HD2 LEU 32 -10.965 -0.829 -6.646 228 H LEU 33 H LEU 33 -9.444 -1.942 -6.842 229 HA LEU 33 HA LEU 33 -10.115 -4.317 -8.438 230 HB2 LEU 33 1HB LEU 33 -8.718 -4.179 -5.762 231 HB3 LEU 33 2HB LEU 33 -9.182 -5.647 -6.599 232 HG LEU 33 HG LEU 33 -6.986 -5.552 -7.190 233 HD11 LEU 33 1HD1 LEU 33 -8.562 -5.267 -9.235 234 HD12 LEU 33 2HD1 LEU 33 -7.839 -3.644 -9.350 235 HD13 LEU 33 3HD1 LEU 33 -6.804 -5.089 -9.451 236 HD21 LEU 33 1HD2 LEU 33 -5.606 -3.629 -7.347 237 HD22 LEU 33 2HD2 LEU 33 -7.010 -2.539 -7.448 238 HD23 LEU 33 3HD2 LEU 33 -6.653 -3.393 -5.927 239 H ASN 34 H ASN 34 -11.889 -5.588 -7.756 240 HA ASN 34 HA ASN 34 -13.495 -4.266 -5.712 241 HB2 ASN 34 1HB ASN 34 -14.391 -4.091 -8.099 242 HB3 ASN 34 2HB ASN 34 -14.511 -5.839 -8.137 243 HD21 ASN 34 1HD2 ASN 34 -16.436 -3.459 -8.122 244 HD22 ASN 34 2HD2 ASN 34 -17.653 -3.878 -6.964 245 H LYS 35 H LYS 35 -14.314 -5.661 -4.081 246 HA LYS 35 HA LYS 35 -13.572 -8.483 -4.376 247 HB2 LYS 35 1HB LYS 35 -13.949 -6.769 -1.905 248 HB3 LYS 35 2HB LYS 35 -13.682 -8.500 -1.871 249 HG2 LYS 35 1HG LYS 35 -11.491 -8.287 -2.868 250 HG3 LYS 35 2HG LYS 35 -11.781 -6.622 -3.333 251 HD2 LYS 35 1HD LYS 35 -11.411 -5.801 -1.187 252 HD3 LYS 35 2HD LYS 35 -12.023 -7.245 -0.406 253 HE2 LYS 35 1HE LYS 35 -9.790 -7.630 0.007 254 HE3 LYS 35 2HE LYS 35 -9.829 -8.323 -1.602 255 HZ1 LYS 35 1HZ LYS 35 -8.077 -6.637 -1.200 256 HZ2 LYS 35 2HZ LYS 35 -9.014 -6.332 -2.502 257 HZ3 LYS 35 3HZ LYS 35 -9.237 -5.490 -1.120 258 H ARG 36 H ARG 36 -16.176 -6.211 -3.330 259 HA ARG 36 HA ARG 36 -18.043 -7.823 -2.447 260 HB2 ARG 36 1HB ARG 36 -18.190 -5.468 -4.343 261 HB3 ARG 36 2HB ARG 36 -19.673 -6.325 -3.971 262 HG2 ARG 36 1HG ARG 36 -19.306 -5.965 -1.542 263 HG3 ARG 36 2HG ARG 36 -17.772 -5.182 -1.869 264 HD2 ARG 36 1HD ARG 36 -18.809 -3.194 -2.231 265 HD3 ARG 36 2HD ARG 36 -19.814 -3.900 -3.481 266 HE ARG 36 HE ARG 36 -20.742 -4.641 -0.826 267 HH11 ARG 36 2HH2 ARG 36 -20.792 -2.056 -3.213 268 HH12 ARG 36 1HH2 ARG 36 -22.274 -1.374 -2.632 269 HH21 ARG 36 2HH1 ARG 36 -22.697 -3.741 -0.058 270 HH22 ARG 36 1HH1 ARG 36 -23.365 -2.338 -0.824 271 H LEU 37 H LEU 37 -18.851 -9.784 -3.123 272 HA LEU 37 HA LEU 37 -18.348 -10.865 -5.617 273 HB2 LEU 37 1HB LEU 37 -20.488 -11.539 -3.595 274 HB3 LEU 37 2HB LEU 37 -20.065 -12.538 -4.971 275 HG LEU 37 HG LEU 37 -17.833 -11.792 -3.152 276 HD11 LEU 37 1HD1 LEU 37 -19.178 -14.141 -2.115 277 HD12 LEU 37 2HD1 LEU 37 -18.588 -12.692 -1.267 278 HD13 LEU 37 3HD1 LEU 37 -20.211 -12.696 -1.998 279 HD21 LEU 37 1HD2 LEU 37 -16.864 -13.362 -4.382 280 HD22 LEU 37 2HD2 LEU 37 -17.961 -14.567 -3.666 281 HD23 LEU 37 3HD2 LEU 37 -18.409 -13.744 -5.180 282 H LYS 38 H LYS 38 -20.543 -11.828 -6.852 283 HA LYS 38 HA LYS 38 -21.418 -9.647 -8.345 284 HB2 LYS 38 1HB LYS 38 -21.509 -12.448 -8.506 285 HB3 LYS 38 2HB LYS 38 -23.187 -11.947 -8.512 286 HG2 LYS 38 1HG LYS 38 -22.978 -10.744 -10.503 287 HG3 LYS 38 2HG LYS 38 -21.288 -10.370 -10.231 288 HD2 LYS 38 1HD LYS 38 -21.083 -13.074 -10.461 289 HD3 LYS 38 2HD LYS 38 -22.522 -12.831 -11.430 290 HE2 LYS 38 1HE LYS 38 -20.169 -11.002 -11.913 291 HE3 LYS 38 2HE LYS 38 -20.061 -12.650 -12.499 292 HZ1 LYS 38 1HZ LYS 38 -22.526 -11.269 -13.062 293 HZ2 LYS 38 2HZ LYS 38 -21.207 -10.724 -13.855 294 HZ3 LYS 38 3HZ LYS 38 -21.662 -12.286 -14.004 295 H ASP 39 H ASP 39 -22.883 -11.428 -5.583 296 HA ASP 39 HA ASP 39 -25.368 -10.280 -5.720 297 HB2 ASP 39 1HB ASP 39 -23.919 -11.953 -3.950 298 HB3 ASP 39 2HB ASP 39 -24.417 -10.596 -2.959 299 H GLY 40 H GLY 40 -22.310 -9.248 -4.073 300 HA2 GLY 40 1HA GLY 40 -21.877 -6.835 -4.146 301 HA3 GLY 40 2HA GLY 40 -23.530 -6.589 -3.620 302 H SER 41 H SER 41 -20.925 -8.897 -2.558 303 HA SER 41 HA SER 41 -20.747 -7.531 -0.059 304 HB2 SER 41 1HB SER 41 -21.737 -10.416 -0.117 305 HB3 SER 41 2HB SER 41 -21.361 -9.491 1.323 306 HG SER 41 HG SER 41 -23.114 -8.093 0.910 307 H VAL 42 H VAL 42 -18.737 -7.957 0.957 308 HA VAL 42 HA VAL 42 -16.830 -9.309 -0.695 309 HB VAL 42 HB VAL 42 -16.669 -7.900 1.973 310 HG11 VAL 42 1HG1 VAL 42 -14.869 -9.795 1.066 311 HG12 VAL 42 2HG1 VAL 42 -14.154 -8.263 0.509 312 HG13 VAL 42 3HG1 VAL 42 -14.522 -8.498 2.235 313 HG21 VAL 42 1HG2 VAL 42 -15.816 -7.074 -0.822 314 HG22 VAL 42 2HG2 VAL 42 -17.190 -6.423 0.104 315 HG23 VAL 42 3HG2 VAL 42 -15.524 -6.141 0.665 316 HA PRO 43 HA PRO 43 -17.292 -13.130 1.329 317 HB2 PRO 43 1HB PRO 43 -15.325 -14.501 0.018 318 HB3 PRO 43 2HB PRO 43 -16.940 -14.291 -0.628 319 HG2 PRO 43 1HG PRO 43 -14.436 -12.937 -1.424 320 HG3 PRO 43 2HG PRO 43 -15.943 -13.065 -2.308 321 HD2 PRO 43 1HD PRO 43 -14.979 -10.770 -0.883 322 HD3 PRO 43 2HD PRO 43 -16.536 -10.938 -1.669 323 H ARG 44 H ARG 44 -15.672 -14.952 2.257 324 HA ARG 44 HA ARG 44 -14.777 -14.051 4.543 325 HB2 ARG 44 1HB ARG 44 -14.286 -16.367 2.919 326 HB3 ARG 44 2HB ARG 44 -12.729 -15.871 3.553 327 HG2 ARG 44 1HG ARG 44 -14.621 -15.646 5.706 328 HG3 ARG 44 2HG ARG 44 -14.903 -17.195 4.938 329 HD2 ARG 44 1HD ARG 44 -12.517 -17.801 5.181 330 HD3 ARG 44 2HD ARG 44 -12.146 -16.212 5.820 331 HE ARG 44 HE ARG 44 -14.239 -17.481 7.374 332 HH11 ARG 44 2HH2 ARG 44 -10.758 -17.468 6.854 333 HH12 ARG 44 1HH2 ARG 44 -10.390 -18.051 8.443 334 HH21 ARG 44 2HH1 ARG 44 -13.754 -18.249 9.470 335 HH22 ARG 44 1HH1 ARG 44 -12.106 -18.498 9.941 336 H ASP 45 H ASP 45 -12.988 -13.873 1.416 337 HA ASP 45 HA ASP 45 -11.667 -11.569 2.110 338 HB2 ASP 45 1HB ASP 45 -10.487 -13.432 3.586 339 HB3 ASP 45 2HB ASP 45 -9.713 -13.888 2.081 340 H SER 46 H SER 46 -12.222 -11.070 -0.092 341 HA SER 46 HA SER 46 -11.532 -12.889 -2.157 342 HB2 SER 46 1HB SER 46 -13.526 -11.339 -2.207 343 HB3 SER 46 2HB SER 46 -12.429 -9.980 -2.358 344 HG SER 46 HG SER 46 -11.815 -10.635 -4.403 345 H GLY 47 H GLY 47 -9.164 -12.657 -0.985 346 HA2 GLY 47 1HA GLY 47 -7.004 -12.215 -1.462 347 HA3 GLY 47 2HA GLY 47 -7.509 -11.401 -2.929 348 H ALA 48 H ALA 48 -7.413 -10.970 0.671 349 HA ALA 48 HA ALA 48 -7.929 -8.283 0.781 350 HB1 ALA 48 1HB ALA 48 -5.952 -8.806 2.722 351 HB2 ALA 48 2HB ALA 48 -7.717 -8.920 2.927 352 HB3 ALA 48 3HB ALA 48 -6.780 -10.361 2.462 353 H MET 49 H MET 49 -4.886 -10.009 -0.040 354 HA MET 49 HA MET 49 -3.505 -7.495 -0.231 355 HB2 MET 49 1HB MET 49 -2.846 -10.404 -0.167 356 HB3 MET 49 2HB MET 49 -1.834 -9.494 -1.271 357 HG2 MET 49 1HG MET 49 -2.134 -8.011 1.225 358 HG3 MET 49 2HG MET 49 -1.603 -9.645 1.573 359 HE1 MET 49 1HE MET 49 -1.309 -6.732 -0.727 360 HE2 MET 49 2HE MET 49 -0.137 -6.097 0.453 361 HE3 MET 49 3HE MET 49 0.411 -6.597 -1.165 362 H LEU 50 H LEU 50 -5.811 -8.672 -2.103 363 HA LEU 50 HA LEU 50 -6.385 -8.375 -4.216 364 HB2 LEU 50 1HB LEU 50 -3.752 -6.920 -4.499 365 HB3 LEU 50 2HB LEU 50 -5.041 -6.932 -5.687 366 HG LEU 50 HG LEU 50 -5.048 -4.860 -4.421 367 HD11 LEU 50 1HD1 LEU 50 -7.374 -4.770 -3.822 368 HD12 LEU 50 2HD1 LEU 50 -7.187 -5.832 -5.238 369 HD13 LEU 50 3HD1 LEU 50 -7.440 -6.538 -3.623 370 HD21 LEU 50 1HD2 LEU 50 -4.044 -5.930 -2.339 371 HD22 LEU 50 2HD2 LEU 50 -5.292 -4.687 -2.087 372 HD23 LEU 50 3HD2 LEU 50 -5.704 -6.411 -1.915 373 H GLY 51 H GLY 51 -2.809 -9.039 -4.168 374 HA2 GLY 51 1HA GLY 51 -2.773 -11.655 -4.777 375 HA3 GLY 51 2HA GLY 51 -3.105 -10.934 -6.339 376 H LEU 52 H LEU 52 -1.584 -8.387 -5.404 377 HA LEU 52 HA LEU 52 1.040 -9.438 -6.125 378 HB2 LEU 52 1HB LEU 52 1.446 -7.483 -7.163 379 HB3 LEU 52 2HB LEU 52 -0.302 -7.495 -7.286 380 HG LEU 52 HG LEU 52 -0.125 -6.151 -4.992 381 HD11 LEU 52 1HD1 LEU 52 2.617 -6.186 -6.004 382 HD12 LEU 52 2HD1 LEU 52 1.992 -4.542 -5.734 383 HD13 LEU 52 3HD1 LEU 52 1.985 -5.726 -4.406 384 HD21 LEU 52 1HD2 LEU 52 -1.254 -5.351 -6.984 385 HD22 LEU 52 2HD2 LEU 52 -0.239 -4.061 -6.296 386 HD23 LEU 52 3HD2 LEU 52 0.306 -4.947 -7.740 387 H LYS 53 H LYS 53 2.959 -8.244 -5.049 388 HA LYS 53 HA LYS 53 2.324 -7.925 -2.197 389 HB2 LYS 53 1HB LYS 53 3.709 -10.007 -3.185 390 HB3 LYS 53 2HB LYS 53 5.028 -8.864 -3.031 391 HG2 LYS 53 1HG LYS 53 3.229 -8.890 -0.674 392 HG3 LYS 53 2HG LYS 53 3.998 -10.437 -0.970 393 HD2 LYS 53 1HD LYS 53 5.597 -7.846 -0.957 394 HD3 LYS 53 2HD LYS 53 5.267 -8.723 0.524 395 HE2 LYS 53 1HE LYS 53 6.773 -9.765 -1.919 396 HE3 LYS 53 2HE LYS 53 7.445 -9.432 -0.336 397 HZ1 LYS 53 1HZ LYS 53 5.757 -11.635 -1.167 398 HZ2 LYS 53 2HZ LYS 53 7.069 -11.642 -0.195 399 HZ3 LYS 53 3HZ LYS 53 5.630 -11.126 0.379 400 H VAL 54 H VAL 54 2.663 -5.906 -1.456 401 HA VAL 54 HA VAL 54 4.447 -4.204 -3.038 402 HB VAL 54 HB VAL 54 2.304 -3.478 -1.031 403 HG11 VAL 54 1HG1 VAL 54 2.922 -1.375 -2.870 404 HG12 VAL 54 2HG1 VAL 54 3.117 -1.404 -1.101 405 HG13 VAL 54 3HG1 VAL 54 4.443 -1.957 -2.152 406 HG21 VAL 54 1HG2 VAL 54 0.986 -2.776 -3.012 407 HG22 VAL 54 2HG2 VAL 54 2.235 -3.480 -4.067 408 HG23 VAL 54 3HG2 VAL 54 1.296 -4.529 -2.977 409 H VAL 55 H VAL 55 6.094 -2.969 -2.004 410 HA VAL 55 HA VAL 55 6.586 -3.669 0.794 411 HB VAL 55 HB VAL 55 8.345 -4.136 -1.582 412 HG11 VAL 55 1HG1 VAL 55 10.249 -4.371 0.161 413 HG12 VAL 55 2HG1 VAL 55 9.824 -2.744 -0.422 414 HG13 VAL 55 3HG1 VAL 55 9.252 -3.296 1.171 415 HG21 VAL 55 1HG2 VAL 55 7.792 -5.683 0.973 416 HG22 VAL 55 2HG2 VAL 55 7.138 -6.031 -0.646 417 HG23 VAL 55 3HG2 VAL 55 8.882 -6.208 -0.334 418 H GLY 56 H GLY 56 6.533 -1.774 1.880 419 HA2 GLY 56 1HA GLY 56 7.396 0.656 0.458 420 HA3 GLY 56 2HA GLY 56 6.349 0.580 1.860 421 H GLY 57 H GLY 57 8.073 2.325 2.484 422 HA2 GLY 57 1HA GLY 57 9.678 2.890 3.957 423 HA3 GLY 57 2HA GLY 57 9.733 1.222 4.489 424 H LYS 58 H LYS 58 10.137 1.403 1.084 425 HA LYS 58 HA LYS 58 12.821 0.527 1.277 426 HB2 LYS 58 1HB LYS 58 11.312 -0.300 -0.444 427 HB3 LYS 58 2HB LYS 58 11.110 1.312 -1.100 428 HG2 LYS 58 1HG LYS 58 13.016 1.133 -2.318 429 HG3 LYS 58 2HG LYS 58 13.950 0.712 -0.896 430 HD2 LYS 58 1HD LYS 58 14.201 -1.272 -2.059 431 HD3 LYS 58 2HD LYS 58 12.714 -1.659 -1.218 432 HE2 LYS 58 1HE LYS 58 11.412 -1.484 -3.132 433 HE3 LYS 58 2HE LYS 58 12.392 -0.203 -3.817 434 HZ1 LYS 58 1HZ LYS 58 12.490 -2.813 -4.500 435 HZ2 LYS 58 2HZ LYS 58 13.600 -1.683 -4.898 436 HZ3 LYS 58 3HZ LYS 58 13.831 -2.629 -3.587 437 H MET 59 H MET 59 14.605 1.739 1.573 438 HA MET 59 HA MET 59 14.365 4.570 1.322 439 HB2 MET 59 1HB MET 59 15.760 2.956 3.008 440 HB3 MET 59 2HB MET 59 17.004 3.157 1.790 441 HG2 MET 59 1HG MET 59 17.504 5.016 3.079 442 HG3 MET 59 2HG MET 59 16.311 5.757 2.032 443 HE1 MET 59 1HE MET 59 15.152 7.659 4.617 444 HE2 MET 59 2HE MET 59 15.367 7.309 2.885 445 HE3 MET 59 3HE MET 59 13.802 6.989 3.670 446 H THR 60 H THR 60 14.490 5.501 -0.681 447 HA THR 60 HA THR 60 15.902 4.215 -2.813 448 HB THR 60 HB THR 60 15.116 6.282 -4.042 449 HG1 THR 60 1HG THR 60 13.966 7.820 -2.671 450 HG21 THR 60 1HG2 THR 60 12.845 5.449 -2.205 451 HG22 THR 60 2HG2 THR 60 12.793 5.806 -3.948 452 HG23 THR 60 3HG2 THR 60 13.506 4.280 -3.372 453 H GLU 61 H GLU 61 17.217 6.106 -4.222 454 HA GLU 61 HA GLU 61 19.571 6.343 -2.631 455 HB2 GLU 61 1HB GLU 61 20.485 7.335 -4.838 456 HB3 GLU 61 2HB GLU 61 19.982 5.656 -4.859 457 HG2 GLU 61 1HG GLU 61 18.147 6.069 -6.208 458 HG3 GLU 61 2HG GLU 61 17.837 7.640 -5.498 459 H SER 62 H SER 62 16.805 8.164 -2.811 460 HA SER 62 HA SER 62 18.296 10.655 -2.539 461 HB2 SER 62 1HB SER 62 16.167 10.107 -4.221 462 HB3 SER 62 2HB SER 62 15.345 10.815 -2.845 463 HG SER 62 HG SER 62 15.985 12.722 -3.549 464 H GLY 63 H GLY 63 17.388 8.260 -0.633 465 HA2 GLY 63 1HA GLY 63 16.967 8.124 1.578 466 HA3 GLY 63 2HA GLY 63 17.034 9.872 1.678 467 H ARG 64 H ARG 64 14.846 8.691 -0.756 468 HA ARG 64 HA ARG 64 12.666 9.512 0.944 469 HB2 ARG 64 1HB ARG 64 13.260 9.608 -1.922 470 HB3 ARG 64 2HB ARG 64 11.698 8.857 -1.661 471 HG2 ARG 64 1HG ARG 64 12.350 11.387 -0.140 472 HG3 ARG 64 2HG ARG 64 11.939 11.517 -1.839 473 HD2 ARG 64 1HD ARG 64 9.919 9.873 -1.066 474 HD3 ARG 64 2HD ARG 64 10.216 10.657 0.473 475 HE ARG 64 HE ARG 64 8.996 11.866 -1.860 476 HH11 ARG 64 2HH2 ARG 64 11.034 12.590 0.916 477 HH12 ARG 64 1HH2 ARG 64 10.587 14.262 0.969 478 HH21 ARG 64 2HH1 ARG 64 8.406 14.072 -1.790 479 HH22 ARG 64 1HH1 ARG 64 9.082 15.111 -0.580 480 H LEU 65 H LEU 65 10.658 8.184 1.058 481 HA LEU 65 HA LEU 65 11.264 5.335 0.679 482 HB2 LEU 65 1HB LEU 65 9.395 6.607 2.682 483 HB3 LEU 65 2HB LEU 65 9.762 4.900 2.531 484 HG LEU 65 HG LEU 65 11.863 6.977 3.184 485 HD11 LEU 65 1HD1 LEU 65 10.802 5.220 5.333 486 HD12 LEU 65 2HD1 LEU 65 11.429 6.884 5.405 487 HD13 LEU 65 3HD1 LEU 65 9.776 6.581 4.818 488 HD21 LEU 65 1HD2 LEU 65 13.242 5.271 2.818 489 HD22 LEU 65 2HD2 LEU 65 12.564 4.517 4.281 490 HD23 LEU 65 3HD2 LEU 65 11.896 4.114 2.680 491 H CYS 66 H CYS 66 9.732 4.008 -0.339 492 HA CYS 66 HA CYS 66 7.185 5.070 -1.039 493 HB2 CYS 66 1HB CYS 66 9.022 5.984 -2.746 494 HB3 CYS 66 2HB CYS 66 8.806 4.402 -3.467 495 HG CYS 66 HG CYS 66 7.294 6.060 -4.760 496 H ALA 67 H ALA 67 5.971 3.333 -2.385 497 HA ALA 67 HA ALA 67 7.023 0.701 -1.615 498 HB1 ALA 67 1HB ALA 67 4.705 -0.010 -1.491 499 HB2 ALA 67 2HB ALA 67 4.890 1.484 -0.541 500 HB3 ALA 67 3HB ALA 67 4.149 1.544 -2.158 501 H PHE 68 H PHE 68 7.381 -0.832 -3.185 502 HA PHE 68 HA PHE 68 6.435 -0.162 -5.878 503 HB2 PHE 68 1HB PHE 68 9.118 -1.432 -5.082 504 HB3 PHE 68 2HB PHE 68 8.667 -0.901 -6.689 505 HD1 PHE 68 2HD PHE 68 8.285 1.603 -7.051 506 HD2 PHE 68 1HD PHE 68 10.200 0.032 -3.606 507 HE1 PHE 68 2HE PHE 68 9.312 3.848 -6.599 508 HE2 PHE 68 1HE PHE 68 11.227 2.277 -3.153 509 HZ PHE 68 HZ PHE 68 10.771 4.158 -4.655 510 H ILE 69 H ILE 69 5.820 -1.932 -7.187 511 HA ILE 69 HA ILE 69 4.915 -4.190 -5.792 512 HB ILE 69 HB ILE 69 5.237 -3.706 -8.756 513 HG12 ILE 69 1HG1 ILE 69 2.877 -3.224 -6.913 514 HG13 ILE 69 2HG1 ILE 69 3.879 -1.988 -7.647 515 HG21 ILE 69 1HG2 ILE 69 3.069 -5.464 -7.965 516 HG22 ILE 69 2HG2 ILE 69 4.367 -5.710 -9.159 517 HG23 ILE 69 3HG2 ILE 69 4.649 -6.099 -7.445 518 HD11 ILE 69 1HD1 ILE 69 1.579 -3.229 -8.765 519 HD12 ILE 69 2HD1 ILE 69 2.675 -2.075 -9.561 520 HD13 ILE 69 3HD1 ILE 69 2.966 -3.825 -9.707 521 H THR 70 H THR 70 5.877 -6.094 -5.276 522 HA THR 70 HA THR 70 8.605 -6.479 -6.288 523 HB THR 70 HB THR 70 8.877 -7.845 -4.253 524 HG1 THR 70 1HG THR 70 6.124 -7.117 -3.652 525 HG21 THR 70 1HG2 THR 70 7.947 -6.193 -2.461 526 HG22 THR 70 2HG2 THR 70 9.126 -5.536 -3.622 527 HG23 THR 70 3HG2 THR 70 7.390 -5.213 -3.839 528 H LYS 71 H LYS 71 5.469 -8.202 -5.785 529 HA LYS 71 HA LYS 71 6.093 -9.788 -8.121 530 HB2 LYS 71 1HB LYS 71 7.138 -11.065 -6.294 531 HB3 LYS 71 2HB LYS 71 5.619 -11.086 -5.421 532 HG2 LYS 71 1HG LYS 71 4.893 -12.866 -6.622 533 HG3 LYS 71 2HG LYS 71 5.126 -11.997 -8.126 534 HD2 LYS 71 1HD LYS 71 7.632 -12.986 -6.830 535 HD3 LYS 71 2HD LYS 71 6.548 -14.237 -7.406 536 HE2 LYS 71 1HE LYS 71 6.526 -12.456 -9.539 537 HE3 LYS 71 2HE LYS 71 8.169 -12.282 -8.954 538 HZ1 LYS 71 1HZ LYS 71 8.666 -14.340 -9.593 539 HZ2 LYS 71 2HZ LYS 71 7.248 -14.988 -9.109 540 HZ3 LYS 71 3HZ LYS 71 7.350 -14.233 -10.553 541 H VAL 72 H VAL 72 4.212 -10.608 -9.146 542 HA VAL 72 HA VAL 72 1.686 -9.978 -7.824 543 HB VAL 72 HB VAL 72 1.712 -8.072 -9.038 544 HG11 VAL 72 1HG1 VAL 72 2.791 -8.222 -11.510 545 HG12 VAL 72 2HG1 VAL 72 3.729 -7.823 -10.051 546 HG13 VAL 72 3HG1 VAL 72 3.739 -9.485 -10.689 547 HG21 VAL 72 1HG2 VAL 72 -0.165 -9.419 -9.886 548 HG22 VAL 72 2HG2 VAL 72 0.465 -8.316 -11.133 549 HG23 VAL 72 3HG2 VAL 72 0.873 -10.048 -11.188 550 H LYS 73 H LYS 73 0.683 -11.918 -7.696 551 HA LYS 73 HA LYS 73 1.380 -14.138 -9.176 552 HB2 LYS 73 1HB LYS 73 0.131 -14.112 -7.022 553 HB3 LYS 73 2HB LYS 73 -1.291 -13.541 -7.871 554 HG2 LYS 73 1HG LYS 73 -1.485 -15.951 -7.664 555 HG3 LYS 73 2HG LYS 73 -1.182 -15.590 -9.352 556 HD2 LYS 73 1HD LYS 73 1.222 -16.122 -9.071 557 HD3 LYS 73 2HD LYS 73 0.988 -16.388 -7.354 558 HE2 LYS 73 1HE LYS 73 -0.931 -17.995 -8.838 559 HE3 LYS 73 2HE LYS 73 0.676 -18.285 -9.475 560 HZ1 LYS 73 1HZ LYS 73 0.903 -19.603 -7.733 561 HZ2 LYS 73 2HZ LYS 73 1.042 -18.266 -6.806 562 HZ3 LYS 73 3HZ LYS 73 -0.405 -19.009 -6.956 563 H LYS 74 H LYS 74 0.355 -15.246 -10.952 564 HA LYS 74 HA LYS 74 -0.788 -13.344 -12.838 565 HB2 LYS 74 1HB LYS 74 1.225 -14.777 -13.390 566 HB3 LYS 74 2HB LYS 74 0.166 -16.172 -13.351 567 HG2 LYS 74 1HG LYS 74 -0.420 -15.738 -15.496 568 HG3 LYS 74 2HG LYS 74 -1.196 -14.262 -14.954 569 HD2 LYS 74 1HD LYS 74 0.489 -12.934 -15.754 570 HD3 LYS 74 2HD LYS 74 1.744 -13.996 -15.148 571 HE2 LYS 74 1HE LYS 74 1.996 -14.171 -17.494 572 HE3 LYS 74 2HE LYS 74 1.071 -15.604 -17.096 573 HZ1 LYS 74 1HZ LYS 74 0.055 -14.513 -18.912 574 HZ2 LYS 74 2HZ LYS 74 -0.935 -14.311 -17.629 575 HZ3 LYS 74 3HZ LYS 74 0.003 -13.075 -18.139 576 H GLY 75 H GLY 75 -2.958 -13.095 -12.532 577 HA2 GLY 75 1HA GLY 75 -5.030 -14.135 -13.262 578 HA3 GLY 75 2HA GLY 75 -4.550 -15.586 -12.403 579 H SER 76 H SER 76 -3.979 -12.276 -11.155 580 HA SER 76 HA SER 76 -6.079 -12.794 -9.199 581 HB2 SER 76 1HB SER 76 -4.693 -11.904 -7.433 582 HB3 SER 76 2HB SER 76 -3.753 -13.124 -8.270 583 HG SER 76 HG SER 76 -2.313 -11.486 -8.224 584 H LEU 77 H LEU 77 -6.824 -10.679 -8.088 585 HA LEU 77 HA LEU 77 -7.859 -8.932 -9.835 586 HB2 LEU 77 1HB LEU 77 -7.020 -8.639 -6.970 587 HB3 LEU 77 2HB LEU 77 -7.715 -7.279 -7.829 588 HG LEU 77 HG LEU 77 -9.484 -8.303 -6.645 589 HD11 LEU 77 1HD1 LEU 77 -10.962 -8.240 -8.315 590 HD12 LEU 77 2HD1 LEU 77 -9.559 -8.008 -9.387 591 HD13 LEU 77 3HD1 LEU 77 -10.230 -9.638 -9.139 592 HD21 LEU 77 1HD2 LEU 77 -8.263 -10.472 -6.275 593 HD22 LEU 77 2HD2 LEU 77 -10.007 -10.623 -6.599 594 HD23 LEU 77 3HD2 LEU 77 -8.829 -10.984 -7.883 595 H ALA 78 H ALA 78 -4.753 -8.365 -8.029 596 HA ALA 78 HA ALA 78 -4.145 -6.107 -9.666 597 HB1 ALA 78 1HB ALA 78 -1.816 -6.793 -8.373 598 HB2 ALA 78 2HB ALA 78 -3.104 -5.783 -7.675 599 HB3 ALA 78 3HB ALA 78 -3.044 -7.524 -7.313 600 H ASP 79 H ASP 79 -4.669 -7.805 -11.595 601 HA ASP 79 HA ASP 79 -2.315 -8.010 -12.987 602 HB2 ASP 79 1HB ASP 79 -2.194 -10.000 -11.217 603 HB3 ASP 79 2HB ASP 79 -3.308 -10.792 -12.314 604 H THR 80 H THR 80 -5.374 -9.894 -12.352 605 HA THR 80 HA THR 80 -5.935 -10.246 -15.124 606 HB THR 80 HB THR 80 -8.075 -11.180 -14.174 607 HG1 THR 80 1HG THR 80 -8.106 -11.034 -11.747 608 HG21 THR 80 1HG2 THR 80 -5.453 -11.906 -12.792 609 HG22 THR 80 2HG2 THR 80 -6.973 -12.751 -12.410 610 HG23 THR 80 3HG2 THR 80 -6.310 -12.814 -14.061 611 H VAL 81 H VAL 81 -6.805 -7.837 -12.640 612 HA VAL 81 HA VAL 81 -8.306 -6.432 -14.741 613 HB VAL 81 HB VAL 81 -9.448 -5.317 -12.788 614 HG11 VAL 81 1HG1 VAL 81 -10.049 -7.622 -14.165 615 HG12 VAL 81 2HG1 VAL 81 -10.196 -8.146 -12.470 616 HG13 VAL 81 3HG1 VAL 81 -11.149 -6.763 -13.060 617 HG21 VAL 81 1HG2 VAL 81 -7.786 -5.915 -11.062 618 HG22 VAL 81 2HG2 VAL 81 -9.426 -6.453 -10.626 619 HG23 VAL 81 3HG2 VAL 81 -8.236 -7.629 -11.234 620 H GLY 82 H GLY 82 -5.923 -6.247 -12.062 621 HA2 GLY 82 1HA GLY 82 -5.420 -3.439 -12.482 622 HA3 GLY 82 2HA GLY 82 -4.575 -4.534 -11.406 623 H HIS 83 H HIS 83 -4.067 -6.586 -13.534 624 HA HIS 83 HA HIS 83 -2.333 -7.110 -14.793 625 HB2 HIS 83 1HB HIS 83 -3.159 -4.583 -16.248 626 HB3 HIS 83 2HB HIS 83 -2.135 -5.841 -16.911 627 HD1 HIS 83 1HD HIS 83 -3.301 -8.243 -17.293 628 HD2 HIS 83 2HD HIS 83 -5.888 -5.056 -16.429 629 HE1 HIS 83 1HE HIS 83 -5.639 -9.019 -17.957 630 H LEU 84 H LEU 84 -1.594 -5.771 -12.397 631 HA LEU 84 HA LEU 84 0.248 -3.690 -12.959 632 HB2 LEU 84 1HB LEU 84 -0.166 -5.462 -10.549 633 HB3 LEU 84 2HB LEU 84 0.968 -4.127 -10.602 634 HG LEU 84 HG LEU 84 -1.868 -3.536 -11.322 635 HD11 LEU 84 1HD1 LEU 84 -1.558 -3.249 -8.478 636 HD12 LEU 84 2HD1 LEU 84 -2.799 -4.132 -9.401 637 HD13 LEU 84 3HD1 LEU 84 -1.281 -4.944 -8.948 638 HD21 LEU 84 1HD2 LEU 84 0.064 -1.997 -9.577 639 HD22 LEU 84 2HD2 LEU 84 0.022 -1.861 -11.352 640 HD23 LEU 84 3HD2 LEU 84 -1.405 -1.406 -10.390 641 H ARG 85 H ARG 85 2.609 -4.305 -11.696 642 HA ARG 85 HA ARG 85 3.562 -6.795 -12.678 643 HB2 ARG 85 1HB ARG 85 4.291 -4.170 -14.019 644 HB3 ARG 85 2HB ARG 85 5.479 -5.457 -13.955 645 HG2 ARG 85 1HG ARG 85 2.694 -5.609 -15.197 646 HG3 ARG 85 2HG ARG 85 4.224 -5.634 -16.052 647 HD2 ARG 85 1HD ARG 85 4.733 -7.757 -14.540 648 HD3 ARG 85 2HD ARG 85 2.996 -7.797 -14.316 649 HE ARG 85 HE ARG 85 4.449 -8.440 -16.767 650 HH11 ARG 85 2HH2 ARG 85 1.363 -7.348 -15.476 651 HH12 ARG 85 1HH2 ARG 85 0.452 -7.895 -16.844 652 HH21 ARG 85 2HH1 ARG 85 3.248 -9.161 -18.572 653 HH22 ARG 85 1HH1 ARG 85 1.532 -8.934 -18.617 654 HA PRO 86 HA PRO 86 6.321 -5.968 -9.402 655 HB2 PRO 86 1HB PRO 86 8.299 -7.794 -9.875 656 HB3 PRO 86 2HB PRO 86 6.777 -8.206 -9.111 657 HG2 PRO 86 1HG PRO 86 7.678 -8.770 -11.869 658 HG3 PRO 86 2HG PRO 86 6.378 -9.519 -10.964 659 HD2 PRO 86 1HD PRO 86 6.115 -7.558 -13.041 660 HD3 PRO 86 2HD PRO 86 4.826 -8.222 -12.057 661 H GLY 87 H GLY 87 6.905 -3.830 -9.684 662 HA2 GLY 87 1HA GLY 87 9.470 -3.145 -9.826 663 HA3 GLY 87 2HA GLY 87 9.101 -3.329 -11.529 664 H ASP 88 H ASP 88 6.146 -2.549 -10.820 665 HA ASP 88 HA ASP 88 6.358 0.075 -11.600 666 HB2 ASP 88 1HB ASP 88 4.263 -1.785 -10.733 667 HB3 ASP 88 2HB ASP 88 3.922 -0.165 -10.159 668 H GLU 89 H GLU 89 4.886 1.767 -10.017 669 HA GLU 89 HA GLU 89 5.984 1.543 -7.340 670 HB2 GLU 89 1HB GLU 89 7.538 2.990 -8.601 671 HB3 GLU 89 2HB GLU 89 6.211 4.009 -9.121 672 HG2 GLU 89 1HG GLU 89 5.713 4.352 -6.582 673 HG3 GLU 89 2HG GLU 89 7.297 3.659 -6.300 674 H VAL 90 H VAL 90 4.075 1.288 -6.216 675 HA VAL 90 HA VAL 90 1.686 2.587 -7.050 676 HB VAL 90 HB VAL 90 1.533 0.460 -6.029 677 HG11 VAL 90 1HG1 VAL 90 3.347 -0.014 -4.732 678 HG12 VAL 90 2HG1 VAL 90 3.412 1.620 -4.028 679 HG13 VAL 90 3HG1 VAL 90 2.219 0.440 -3.432 680 HG21 VAL 90 1HG2 VAL 90 0.459 2.780 -4.485 681 HG22 VAL 90 2HG2 VAL 90 -0.397 1.491 -5.365 682 HG23 VAL 90 3HG2 VAL 90 0.303 1.160 -3.762 683 H LEU 91 H LEU 91 1.685 4.804 -7.002 684 HA LEU 91 HA LEU 91 3.086 6.272 -5.046 685 HB2 LEU 91 1HB LEU 91 0.964 6.990 -7.062 686 HB3 LEU 91 2HB LEU 91 1.685 8.169 -5.985 687 HG LEU 91 HG LEU 91 3.215 6.485 -7.987 688 HD11 LEU 91 1HD1 LEU 91 1.995 7.930 -9.329 689 HD12 LEU 91 2HD1 LEU 91 2.054 9.254 -8.141 690 HD13 LEU 91 3HD1 LEU 91 3.512 8.823 -9.066 691 HD21 LEU 91 1HD2 LEU 91 4.068 8.087 -5.735 692 HD22 LEU 91 2HD2 LEU 91 5.018 7.041 -6.817 693 HD23 LEU 91 3HD2 LEU 91 4.712 8.738 -7.261 694 H GLU 92 H GLU 92 -0.459 5.644 -5.547 695 HA GLU 92 HA GLU 92 -0.732 6.143 -2.684 696 HB2 GLU 92 1HB GLU 92 -2.715 6.773 -4.915 697 HB3 GLU 92 2HB GLU 92 -3.069 6.932 -3.206 698 HG2 GLU 92 1HG GLU 92 -1.747 8.819 -2.956 699 HG3 GLU 92 2HG GLU 92 -0.564 8.284 -4.133 700 H TRP 93 H TRP 93 -2.779 5.017 -1.749 701 HA TRP 93 HA TRP 93 -3.456 2.587 -3.204 702 HB2 TRP 93 1HB TRP 93 -1.538 1.876 -1.965 703 HB3 TRP 93 2HB TRP 93 -2.125 2.627 -0.495 704 HD1 TRP 93 HD TRP 93 -4.621 1.446 0.408 705 HE1 TRP 93 1HE TRP 93 -5.313 -1.095 0.567 706 HE3 TRP 93 3HE TRP 93 -1.183 -0.241 -2.936 707 HZ2 TRP 93 2HZ TRP 93 -4.365 -3.473 -0.695 708 HZ3 TRP 93 3HZ TRP 93 -1.133 -2.687 -3.416 709 HH2 TRP 93 HH TRP 93 -2.651 -4.283 -2.357 710 H ASN 94 H ASN 94 -5.641 3.013 -3.360 711 HA ASN 94 HA ASN 94 -7.703 3.303 -2.760 712 HB2 ASN 94 1HB ASN 94 -6.604 2.675 0.023 713 HB3 ASN 94 2HB ASN 94 -8.311 2.958 -0.252 714 HD21 ASN 94 1HD2 ASN 94 -8.640 0.814 0.503 715 HD22 ASN 94 2HD2 ASN 94 -8.437 -0.553 -0.540 716 H GLY 95 H GLY 95 -5.414 5.457 -2.429 717 HA2 GLY 95 1HA GLY 95 -5.978 7.775 -2.375 718 HA3 GLY 95 2HA GLY 95 -7.110 7.459 -1.076 719 H ARG 96 H ARG 96 -4.622 5.430 -0.309 720 HA ARG 96 HA ARG 96 -3.568 7.381 1.520 721 HB2 ARG 96 1HB ARG 96 -3.594 4.364 1.347 722 HB3 ARG 96 2HB ARG 96 -2.325 5.114 2.294 723 HG2 ARG 96 1HG ARG 96 -5.108 6.139 2.758 724 HG3 ARG 96 2HG ARG 96 -4.780 4.508 3.310 725 HD2 ARG 96 1HD ARG 96 -2.840 5.316 4.637 726 HD3 ARG 96 2HD ARG 96 -3.080 6.945 4.035 727 HE ARG 96 HE ARG 96 -4.675 5.585 6.089 728 HH11 ARG 96 2HH2 ARG 96 -4.599 8.217 3.754 729 HH12 ARG 96 1HH2 ARG 96 -5.812 9.146 4.570 730 HH21 ARG 96 2HH1 ARG 96 -6.276 6.811 7.166 731 HH22 ARG 96 1HH1 ARG 96 -6.772 8.341 6.523 732 H LEU 97 H LEU 97 -1.741 8.507 0.927 733 HA LEU 97 HA LEU 97 -0.151 7.684 -1.257 734 HB2 LEU 97 1HB LEU 97 -0.539 10.012 -0.701 735 HB3 LEU 97 2HB LEU 97 0.252 9.810 0.850 736 HG LEU 97 HG LEU 97 2.140 8.961 -1.062 737 HD11 LEU 97 1HD1 LEU 97 0.785 10.025 -2.808 738 HD12 LEU 97 2HD1 LEU 97 0.849 11.566 -1.919 739 HD13 LEU 97 3HD1 LEU 97 2.342 10.857 -2.580 740 HD21 LEU 97 1HD2 LEU 97 2.018 11.650 0.322 741 HD22 LEU 97 2HD2 LEU 97 2.489 10.133 1.125 742 HD23 LEU 97 3HD2 LEU 97 3.462 10.765 -0.225 743 H LEU 98 H LEU 98 1.679 6.457 -1.353 744 HA LEU 98 HA LEU 98 2.550 5.305 1.183 745 HB2 LEU 98 1HB LEU 98 3.271 4.415 -1.605 746 HB3 LEU 98 2HB LEU 98 3.471 3.530 -0.105 747 HG LEU 98 HG LEU 98 0.858 4.203 -1.482 748 HD11 LEU 98 1HD1 LEU 98 0.644 1.860 -1.892 749 HD12 LEU 98 2HD1 LEU 98 2.255 2.365 -2.457 750 HD13 LEU 98 3HD1 LEU 98 2.085 1.495 -0.913 751 HD21 LEU 98 1HD2 LEU 98 -0.182 4.016 0.466 752 HD22 LEU 98 2HD2 LEU 98 0.430 2.351 0.611 753 HD23 LEU 98 3HD2 LEU 98 1.359 3.704 1.301 754 H GLN 99 H GLN 99 3.436 7.603 -1.293 755 HA GLN 99 HA GLN 99 6.175 7.424 -1.154 756 HB2 GLN 99 1HB GLN 99 4.183 9.521 -1.921 757 HB3 GLN 99 2HB GLN 99 5.808 10.091 -1.592 758 HG2 GLN 99 1HG GLN 99 6.697 8.341 -3.195 759 HG3 GLN 99 2HG GLN 99 5.045 7.900 -3.579 760 HE21 GLN 99 1HE2 GLN 99 7.259 9.076 -5.174 761 HE22 GLN 99 2HE2 GLN 99 6.622 10.505 -5.918 762 H GLY 100 H GLY 100 7.498 7.583 0.599 763 HA2 GLY 100 1HA GLY 100 8.484 8.831 2.301 764 HA3 GLY 100 2HA GLY 100 7.001 9.737 2.522 765 H ALA 101 H ALA 101 5.351 7.153 2.385 766 HA ALA 101 HA ALA 101 5.211 6.699 5.136 767 HB1 ALA 101 1HB ALA 101 3.304 6.368 3.685 768 HB2 ALA 101 2HB ALA 101 4.179 5.144 2.733 769 HB3 ALA 101 3HB ALA 101 3.717 4.799 4.417 770 H THR 102 H THR 102 5.930 4.978 6.456 771 HA THR 102 HA THR 102 8.375 3.761 5.532 772 HB THR 102 HB THR 102 8.696 3.306 7.853 773 HG1 THR 102 1HG THR 102 5.795 3.693 8.061 774 HG21 THR 102 1HG2 THR 102 8.352 5.357 8.898 775 HG22 THR 102 2HG2 THR 102 7.981 5.869 7.235 776 HG23 THR 102 3HG2 THR 102 6.660 5.459 8.355 777 H PHE 103 H PHE 103 8.738 1.355 6.160 778 HA PHE 103 HA PHE 103 7.301 -0.187 4.437 779 HB2 PHE 103 1HB PHE 103 9.475 -0.795 5.495 780 HB3 PHE 103 2HB PHE 103 8.737 -0.807 7.084 781 HD1 PHE 103 2HD PHE 103 9.002 -2.615 3.894 782 HD2 PHE 103 1HD PHE 103 7.496 -2.710 7.861 783 HE1 PHE 103 2HE PHE 103 8.537 -5.071 3.659 784 HE2 PHE 103 1HE PHE 103 7.031 -5.165 7.626 785 HZ PHE 103 HZ PHE 103 7.558 -6.316 5.528 786 H GLU 104 H GLU 104 6.729 0.352 7.964 787 HA GLU 104 HA GLU 104 4.661 -1.528 8.106 788 HB2 GLU 104 1HB GLU 104 5.372 0.849 9.877 789 HB3 GLU 104 2HB GLU 104 4.133 -0.321 10.286 790 HG2 GLU 104 1HG GLU 104 5.734 -2.131 10.395 791 HG3 GLU 104 2HG GLU 104 6.980 -1.175 9.618 792 H GLU 105 H GLU 105 4.668 2.104 7.921 793 HA GLU 105 HA GLU 105 2.034 2.563 7.986 794 HB2 GLU 105 1HB GLU 105 4.338 3.874 6.582 795 HB3 GLU 105 2HB GLU 105 2.732 4.404 6.124 796 HG2 GLU 105 1HG GLU 105 2.261 4.642 8.672 797 HG3 GLU 105 2HG GLU 105 3.990 4.469 8.896 798 H VAL 106 H VAL 106 3.944 1.879 4.963 799 HA VAL 106 HA VAL 106 1.836 1.896 3.203 800 HB VAL 106 HB VAL 106 4.388 0.277 3.243 801 HG11 VAL 106 1HG1 VAL 106 2.226 -0.248 1.617 802 HG12 VAL 106 2HG1 VAL 106 3.192 0.866 0.621 803 HG13 VAL 106 3HG1 VAL 106 3.922 -0.634 1.240 804 HG21 VAL 106 1HG2 VAL 106 4.930 2.579 3.232 805 HG22 VAL 106 2HG2 VAL 106 5.049 2.059 1.533 806 HG23 VAL 106 3HG2 VAL 106 3.623 2.968 2.088 807 H TYR 107 H TYR 107 3.105 -0.804 5.246 808 HA TYR 107 HA TYR 107 1.384 -2.762 4.238 809 HB2 TYR 107 1HB TYR 107 3.525 -2.781 5.804 810 HB3 TYR 107 2HB TYR 107 2.416 -2.422 7.113 811 HD1 TYR 107 2HD TYR 107 0.225 -4.084 7.056 812 HD2 TYR 107 1HD TYR 107 4.138 -5.001 5.589 813 HE1 TYR 107 2HE TYR 107 -0.246 -6.568 7.331 814 HE2 TYR 107 1HE TYR 107 3.654 -7.481 5.869 815 HH TYR 107 HH TYR 107 0.489 -8.640 6.492 816 H ASN 108 H ASN 108 1.138 -0.744 7.256 817 HA ASN 108 HA ASN 108 -1.090 -1.660 8.309 818 HB2 ASN 108 1HB ASN 108 0.067 1.091 8.017 819 HB3 ASN 108 2HB ASN 108 -1.610 1.046 8.523 820 HD21 ASN 108 1HD2 ASN 108 1.599 0.811 9.464 821 HD22 ASN 108 2HD2 ASN 108 1.405 0.217 11.079 822 H ILE 109 H ILE 109 -0.866 0.676 5.534 823 HA ILE 109 HA ILE 109 -3.525 1.203 5.167 824 HB ILE 109 HB ILE 109 -1.206 0.995 3.265 825 HG12 ILE 109 1HG1 ILE 109 -2.568 3.564 3.735 826 HG13 ILE 109 2HG1 ILE 109 -1.851 2.867 5.175 827 HG21 ILE 109 1HG2 ILE 109 -3.254 2.533 2.070 828 HG22 ILE 109 2HG2 ILE 109 -2.554 0.997 1.506 829 HG23 ILE 109 3HG2 ILE 109 -3.988 0.986 2.559 830 HD11 ILE 109 1HD1 ILE 109 -0.056 2.599 2.869 831 HD12 ILE 109 2HD1 ILE 109 -0.500 4.296 3.167 832 HD13 ILE 109 3HD1 ILE 109 0.253 3.333 4.461 833 H ILE 110 H ILE 110 -1.756 -1.140 3.038 834 HA ILE 110 HA ILE 110 -3.885 -2.384 1.980 835 HB ILE 110 HB ILE 110 -1.224 -3.522 2.822 836 HG12 ILE 110 1HG1 ILE 110 -1.669 -3.219 -0.016 837 HG13 ILE 110 2HG1 ILE 110 -1.989 -1.701 0.799 838 HG21 ILE 110 1HG2 ILE 110 -1.611 -5.486 1.655 839 HG22 ILE 110 2HG2 ILE 110 -3.161 -5.215 2.487 840 HG23 ILE 110 3HG2 ILE 110 -2.994 -4.809 0.762 841 HD11 ILE 110 1HD1 ILE 110 0.370 -1.740 0.269 842 HD12 ILE 110 2HD1 ILE 110 0.232 -1.985 2.027 843 HD13 ILE 110 3HD1 ILE 110 0.556 -3.371 0.958 844 H LEU 111 H LEU 111 -2.739 -2.593 5.317 845 HA LEU 111 HA LEU 111 -4.155 -4.960 5.958 846 HB2 LEU 111 1HB LEU 111 -2.249 -3.345 7.150 847 HB3 LEU 111 2HB LEU 111 -3.666 -3.096 8.149 848 HG LEU 111 HG LEU 111 -2.260 -5.708 7.560 849 HD11 LEU 111 1HD1 LEU 111 -1.090 -5.039 9.345 850 HD12 LEU 111 2HD1 LEU 111 -2.281 -3.790 9.784 851 HD13 LEU 111 3HD1 LEU 111 -2.541 -5.481 10.277 852 HD21 LEU 111 1HD2 LEU 111 -3.983 -6.957 8.327 853 HD22 LEU 111 2HD2 LEU 111 -4.570 -5.685 9.424 854 HD23 LEU 111 3HD2 LEU 111 -4.940 -5.600 7.685 855 H GLU 112 H GLU 112 -4.808 -1.433 6.538 856 HA GLU 112 HA GLU 112 -7.333 -1.928 7.614 857 HB2 GLU 112 1HB GLU 112 -6.202 0.594 6.322 858 HB3 GLU 112 2HB GLU 112 -7.670 0.538 7.277 859 HG2 GLU 112 1HG GLU 112 -5.721 -0.760 8.877 860 HG3 GLU 112 2HG GLU 112 -4.881 0.609 8.175 861 H SER 113 H SER 113 -6.187 -2.351 4.462 862 HA SER 113 HA SER 113 -8.710 -1.592 3.263 863 HB2 SER 113 1HB SER 113 -7.382 -1.035 1.526 864 HB3 SER 113 2HB SER 113 -5.979 -1.658 2.373 865 HG SER 113 HG SER 113 -6.109 -2.851 0.482 866 H LYS 114 H LYS 114 -7.557 -4.159 4.974 867 HA LYS 114 HA LYS 114 -7.986 -6.373 3.344 868 HB2 LYS 114 1HB LYS 114 -7.743 -5.818 6.245 869 HB3 LYS 114 2HB LYS 114 -8.603 -7.288 5.832 870 HG2 LYS 114 1HG LYS 114 -6.699 -8.012 4.391 871 HG3 LYS 114 2HG LYS 114 -5.841 -6.530 4.764 872 HD2 LYS 114 1HD LYS 114 -5.056 -7.398 6.707 873 HD3 LYS 114 2HD LYS 114 -6.679 -7.780 7.249 874 HE2 LYS 114 1HE LYS 114 -6.576 -9.976 6.487 875 HE3 LYS 114 2HE LYS 114 -5.533 -9.578 5.136 876 HZ1 LYS 114 1HZ LYS 114 -3.696 -9.433 6.577 877 HZ2 LYS 114 2HZ LYS 114 -4.617 -9.509 7.923 878 HZ3 LYS 114 3HZ LYS 114 -4.463 -10.822 6.964 879 HA PRO 115 HA PRO 115 -12.470 -6.104 4.824 880 HB2 PRO 115 1HB PRO 115 -13.362 -3.844 6.074 881 HB3 PRO 115 2HB PRO 115 -12.835 -5.274 6.940 882 HG2 PRO 115 1HG PRO 115 -11.427 -2.699 6.583 883 HG3 PRO 115 2HG PRO 115 -11.130 -3.958 7.766 884 HD2 PRO 115 1HD PRO 115 -9.590 -3.424 5.406 885 HD3 PRO 115 2HD PRO 115 -9.365 -4.752 6.526 886 H GLU 116 H GLU 116 -11.059 -3.119 3.724 887 HA GLU 116 HA GLU 116 -13.077 -1.933 2.490 888 HB2 GLU 116 1HB GLU 116 -10.182 -2.290 1.814 889 HB3 GLU 116 2HB GLU 116 -11.194 -1.630 0.546 890 HG2 GLU 116 1HG GLU 116 -11.997 -0.250 2.886 891 HG3 GLU 116 2HG GLU 116 -10.253 -0.357 3.016 892 HA PRO 117 HA PRO 117 -14.617 -4.758 -0.442 893 HB2 PRO 117 1HB PRO 117 -16.320 -3.105 -1.796 894 HB3 PRO 117 2HB PRO 117 -16.737 -3.876 -0.278 895 HG2 PRO 117 1HG PRO 117 -16.011 -1.055 -0.787 896 HG3 PRO 117 2HG PRO 117 -16.828 -1.746 0.602 897 HD2 PRO 117 1HD PRO 117 -14.084 -0.922 0.459 898 HD3 PRO 117 2HD PRO 117 -14.871 -1.718 1.807 899 H GLN 118 H GLN 118 -13.189 -1.759 -1.439 900 HA GLN 118 HA GLN 118 -12.286 -3.197 -3.804 901 HB2 GLN 118 1HB GLN 118 -12.612 -1.244 -5.203 902 HB3 GLN 118 2HB GLN 118 -14.128 -1.585 -4.392 903 HG2 GLN 118 1HG GLN 118 -13.040 0.102 -2.553 904 HG3 GLN 118 2HG GLN 118 -12.223 0.701 -3.983 905 HE21 GLN 118 1HE2 GLN 118 -13.740 0.850 -5.966 906 HE22 GLN 118 2HE2 GLN 118 -15.253 1.653 -5.710 907 H VAL 119 H VAL 119 -10.366 -1.802 -4.867 908 HA VAL 119 HA VAL 119 -8.831 -0.405 -2.849 909 HB VAL 119 HB VAL 119 -7.695 -2.840 -4.226 910 HG11 VAL 119 1HG1 VAL 119 -6.614 -1.451 -1.773 911 HG12 VAL 119 2HG1 VAL 119 -5.779 -2.533 -2.913 912 HG13 VAL 119 3HG1 VAL 119 -6.217 -0.882 -3.412 913 HG21 VAL 119 1HG2 VAL 119 -7.860 -3.992 -2.051 914 HG22 VAL 119 2HG2 VAL 119 -8.753 -2.602 -1.388 915 HG23 VAL 119 3HG2 VAL 119 -9.462 -3.571 -2.702 916 H GLU 120 H GLU 120 -8.501 1.471 -3.944 917 HA GLU 120 HA GLU 120 -7.979 1.252 -6.785 918 HB2 GLU 120 1HB GLU 120 -9.738 2.829 -6.112 919 HB3 GLU 120 2HB GLU 120 -8.640 3.649 -5.020 920 HG2 GLU 120 1HG GLU 120 -7.209 3.759 -7.385 921 HG3 GLU 120 2HG GLU 120 -8.853 3.837 -7.986 922 H LEU 121 H LEU 121 -5.865 1.086 -7.387 923 HA LEU 121 HA LEU 121 -3.859 2.226 -5.603 924 HB2 LEU 121 1HB LEU 121 -3.590 0.328 -7.938 925 HB3 LEU 121 2HB LEU 121 -2.280 0.874 -6.910 926 HG LEU 121 HG LEU 121 -4.464 -1.085 -6.342 927 HD11 LEU 121 1HD1 LEU 121 -1.552 -1.029 -5.513 928 HD12 LEU 121 2HD1 LEU 121 -2.678 -2.405 -5.433 929 HD13 LEU 121 3HD1 LEU 121 -2.164 -1.767 -7.013 930 HD21 LEU 121 1HD2 LEU 121 -4.044 -0.901 -3.904 931 HD22 LEU 121 2HD2 LEU 121 -3.121 0.591 -4.205 932 HD23 LEU 121 3HD2 LEU 121 -4.858 0.526 -4.592 933 H VAL 122 H VAL 122 -1.950 3.339 -6.691 934 HA VAL 122 HA VAL 122 -2.638 4.637 -9.188 935 HB VAL 122 HB VAL 122 -2.047 6.239 -6.695 936 HG11 VAL 122 1HG1 VAL 122 -2.854 7.050 -9.509 937 HG12 VAL 122 2HG1 VAL 122 -2.735 8.158 -8.121 938 HG13 VAL 122 3HG1 VAL 122 -1.281 7.327 -8.724 939 HG21 VAL 122 1HG2 VAL 122 -4.709 5.885 -8.115 940 HG22 VAL 122 2HG2 VAL 122 -4.270 5.165 -6.548 941 HG23 VAL 122 3HG2 VAL 122 -4.385 6.934 -6.713 942 H VAL 123 H VAL 123 -0.866 3.908 -10.296 943 HA VAL 123 HA VAL 123 1.727 4.304 -8.973 944 HB VAL 123 HB VAL 123 1.544 2.033 -9.352 945 HG11 VAL 123 1HG1 VAL 123 0.733 1.109 -11.602 946 HG12 VAL 123 2HG1 VAL 123 -0.493 1.815 -10.522 947 HG13 VAL 123 3HG1 VAL 123 0.107 2.746 -11.916 948 HG21 VAL 123 1HG2 VAL 123 2.754 2.908 -11.986 949 HG22 VAL 123 2HG2 VAL 123 3.577 3.127 -10.423 950 HG23 VAL 123 3HG2 VAL 123 3.171 1.491 -10.995 951 H SER 124 H SER 124 3.514 5.048 -10.378 952 HA SER 124 HA SER 124 2.435 6.732 -12.501 953 HB2 SER 124 1HB SER 124 3.309 8.259 -10.969 954 HB3 SER 124 2HB SER 124 4.564 7.164 -10.422 955 HG SER 124 HG SER 124 5.648 8.669 -11.651 956 H ARG 125 H ARG 125 4.003 7.151 -14.356 957 HA ARG 125 HA ARG 125 6.025 5.120 -14.605 958 HB2 ARG 125 1HB ARG 125 3.442 4.922 -15.894 959 HB3 ARG 125 2HB ARG 125 4.635 5.230 -17.140 960 HG2 ARG 125 1HG ARG 125 5.936 3.291 -16.522 961 HG3 ARG 125 2HG ARG 125 5.074 3.099 -15.008 962 HD2 ARG 125 1HD ARG 125 2.943 2.870 -16.623 963 HD3 ARG 125 2HD ARG 125 4.156 2.435 -17.811 964 HE ARG 125 HE ARG 125 4.399 1.019 -15.237 965 HH11 ARG 125 2HH2 ARG 125 3.060 0.971 -18.491 966 HH12 ARG 125 1HH2 ARG 125 2.850 -0.748 -18.517 967 HH21 ARG 125 2HH1 ARG 125 4.123 -1.249 -15.270 968 HH22 ARG 125 1HH1 ARG 125 3.459 -2.019 -16.672 969 H SER 126 H SER 126 7.515 5.585 -16.484 970 HA SER 126 HA SER 126 7.549 8.446 -16.947 971 HB2 SER 126 1HB SER 126 9.889 8.257 -17.275 972 HB3 SER 126 2HB SER 126 9.550 7.142 -15.967 973 HG SER 126 HG SER 126 10.930 6.167 -17.561 974 H GLY 127 H GLY 127 6.330 8.924 -18.770 975 HA2 GLY 127 1HA GLY 127 5.747 8.998 -20.939 976 HA3 GLY 127 2HA GLY 127 7.275 8.230 -21.319 977 HA PRO 128 HA PRO 128 3.667 5.273 -21.729 978 HB2 PRO 128 1HB PRO 128 2.745 5.707 -24.265 979 HB3 PRO 128 2HB PRO 128 1.972 6.368 -22.838 980 HG2 PRO 128 1HG PRO 128 3.658 7.745 -24.839 981 HG3 PRO 128 2HG PRO 128 2.548 8.439 -23.674 982 HD2 PRO 128 1HD PRO 128 5.411 8.381 -23.495 983 HD3 PRO 128 2HD PRO 128 4.296 8.971 -22.278 984 H SER 129 H SER 129 4.111 3.195 -22.209 985 HA SER 129 HA SER 129 6.216 2.951 -24.215 986 HB2 SER 129 1HB SER 129 6.802 0.799 -22.967 987 HB3 SER 129 2HB SER 129 7.144 2.291 -22.114 988 HG SER 129 HG SER 129 6.101 0.907 -20.655 989 H SER 130 H SER 130 6.202 0.712 -25.342 990 HA SER 130 HA SER 130 3.564 -0.455 -25.405 991 HB2 SER 130 1HB SER 130 4.511 1.366 -27.422 992 HB3 SER 130 2HB SER 130 4.465 -0.233 -28.137 993 HG SER 130 HG SER 130 2.248 -0.430 -27.574 994 H GLY 131 H GLY 131 3.626 -2.687 -25.889 995 HA2 GLY 131 1HA GLY 131 4.843 -4.424 -27.155 996 HA3 GLY 131 2HA GLY 131 6.318 -3.773 -26.469 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -6.518 -14.777 -20.837 2 HA2 GLY 1 1HA GLY 1 -7.557 -16.459 -21.914 3 HA3 GLY 1 2HA GLY 1 -6.539 -17.600 -21.059 4 H SER 2 H SER 2 -9.202 -15.259 -20.218 5 HA SER 2 HA SER 2 -10.940 -17.285 -19.456 6 HB2 SER 2 1HB SER 2 -9.162 -17.338 -17.561 7 HB3 SER 2 2HB SER 2 -9.822 -15.796 -17.053 8 HG SER 2 HG SER 2 -10.808 -17.614 -15.940 9 H SER 3 H SER 3 -12.545 -16.090 -20.510 10 HA SER 3 HA SER 3 -13.201 -13.577 -19.209 11 HB2 SER 3 1HB SER 3 -13.807 -12.621 -21.458 12 HB3 SER 3 2HB SER 3 -12.090 -12.903 -21.253 13 HG SER 3 HG SER 3 -13.945 -14.648 -22.638 14 H GLY 4 H GLY 4 -15.226 -13.838 -18.348 15 HA2 GLY 4 1HA GLY 4 -17.235 -15.254 -19.974 16 HA3 GLY 4 2HA GLY 4 -16.963 -15.720 -18.307 17 H SER 5 H SER 5 -18.161 -13.167 -20.482 18 HA SER 5 HA SER 5 -18.744 -11.342 -18.432 19 HB2 SER 5 1HB SER 5 -19.358 -11.633 -21.347 20 HB3 SER 5 2HB SER 5 -20.454 -10.617 -20.432 21 HG SER 5 HG SER 5 -18.023 -9.971 -21.375 22 H SER 6 H SER 6 -21.172 -10.563 -18.139 23 HA SER 6 HA SER 6 -23.191 -12.446 -18.504 24 HB2 SER 6 1HB SER 6 -21.615 -12.655 -15.998 25 HB3 SER 6 2HB SER 6 -23.343 -12.528 -15.735 26 HG SER 6 HG SER 6 -23.541 -14.562 -16.346 27 H GLY 7 H GLY 7 -25.238 -11.482 -18.063 28 HA2 GLY 7 1HA GLY 7 -26.549 -9.912 -16.824 29 HA3 GLY 7 2HA GLY 7 -25.158 -8.851 -16.724 30 H HIS 8 H HIS 8 -27.680 -7.968 -17.707 31 HA HIS 8 HA HIS 8 -26.883 -7.325 -20.432 32 HB2 HIS 8 1HB HIS 8 -29.208 -8.914 -19.654 33 HB3 HIS 8 2HB HIS 8 -29.663 -7.486 -20.563 34 HD1 HIS 8 1HD HIS 8 -29.577 -10.666 -21.459 35 HD2 HIS 8 2HD HIS 8 -27.073 -7.537 -22.700 36 HE1 HIS 8 1HE HIS 8 -28.613 -11.373 -23.714 37 H SER 9 H SER 9 -26.137 -5.433 -19.036 38 HA SER 9 HA SER 9 -28.108 -3.419 -19.260 39 HB2 SER 9 1HB SER 9 -28.110 -4.740 -16.808 40 HB3 SER 9 2HB SER 9 -27.066 -3.369 -16.490 41 HG SER 9 HG SER 9 -29.639 -3.278 -16.355 42 H HIS 10 H HIS 10 -27.134 -1.282 -19.184 43 HA HIS 10 HA HIS 10 -24.437 -1.271 -19.922 44 HB2 HIS 10 1HB HIS 10 -26.648 0.566 -19.808 45 HB3 HIS 10 2HB HIS 10 -25.230 1.340 -19.129 46 HD1 HIS 10 1HD HIS 10 -26.693 0.140 -22.345 47 HD2 HIS 10 2HD HIS 10 -23.032 1.651 -20.961 48 HE1 HIS 10 1HE HIS 10 -25.353 0.778 -24.420 49 H SER 11 H SER 11 -22.920 -1.977 -18.461 50 HA SER 11 HA SER 11 -22.570 -0.302 -16.165 51 HB2 SER 11 1HB SER 11 -22.505 -2.126 -14.535 52 HB3 SER 11 2HB SER 11 -24.074 -2.098 -15.315 53 HG SER 11 HG SER 11 -23.709 -4.149 -15.785 54 H ASP 12 H ASP 12 -20.743 0.213 -17.697 55 HA ASP 12 HA ASP 12 -18.653 -1.796 -17.391 56 HB2 ASP 12 1HB ASP 12 -19.670 -1.276 -19.792 57 HB3 ASP 12 2HB ASP 12 -18.697 0.178 -19.691 58 H LYS 13 H LYS 13 -18.140 -0.509 -15.381 59 HA LYS 13 HA LYS 13 -17.110 2.170 -15.945 60 HB2 LYS 13 1HB LYS 13 -18.292 0.824 -13.571 61 HB3 LYS 13 2HB LYS 13 -16.996 1.958 -13.253 62 HG2 LYS 13 1HG LYS 13 -18.600 3.265 -15.178 63 HG3 LYS 13 2HG LYS 13 -19.755 2.484 -14.117 64 HD2 LYS 13 1HD LYS 13 -17.435 4.021 -12.916 65 HD3 LYS 13 2HD LYS 13 -18.825 4.899 -13.524 66 HE2 LYS 13 1HE LYS 13 -19.583 4.550 -11.367 67 HE3 LYS 13 2HE LYS 13 -20.164 3.055 -12.073 68 HZ1 LYS 13 1HZ LYS 13 -18.986 2.393 -10.232 69 HZ2 LYS 13 2HZ LYS 13 -17.890 2.168 -11.422 70 HZ3 LYS 13 3HZ LYS 13 -17.778 3.471 -10.444 71 H HIS 14 H HIS 14 -15.084 1.874 -16.832 72 HA HIS 14 HA HIS 14 -13.344 -0.143 -16.267 73 HB2 HIS 14 1HB HIS 14 -11.581 1.405 -17.086 74 HB3 HIS 14 2HB HIS 14 -12.987 1.305 -18.127 75 HD1 HIS 14 1HD HIS 14 -11.357 3.737 -18.580 76 HD2 HIS 14 2HD HIS 14 -14.307 3.607 -15.601 77 HE1 HIS 14 1HE HIS 14 -11.990 6.161 -18.095 78 HA PRO 15 HA PRO 15 -12.364 0.822 -12.107 79 HB2 PRO 15 1HB PRO 15 -11.003 -1.480 -11.545 80 HB3 PRO 15 2HB PRO 15 -12.744 -1.338 -11.405 81 HG2 PRO 15 1HG PRO 15 -11.157 -2.698 -13.496 82 HG3 PRO 15 2HG PRO 15 -12.853 -2.897 -13.102 83 HD2 PRO 15 1HD PRO 15 -11.767 -1.441 -15.322 84 HD3 PRO 15 2HD PRO 15 -13.454 -1.544 -14.861 85 H VAL 16 H VAL 16 -10.020 -0.315 -14.441 86 HA VAL 16 HA VAL 16 -7.995 1.215 -12.975 87 HB VAL 16 HB VAL 16 -6.394 -0.173 -13.886 88 HG11 VAL 16 1HG1 VAL 16 -7.669 -1.452 -12.302 89 HG12 VAL 16 2HG1 VAL 16 -8.894 -1.855 -13.529 90 HG13 VAL 16 3HG1 VAL 16 -7.250 -2.526 -13.659 91 HG21 VAL 16 1HG2 VAL 16 -7.051 0.095 -16.243 92 HG22 VAL 16 2HG2 VAL 16 -6.688 -1.603 -15.854 93 HG23 VAL 16 3HG2 VAL 16 -8.378 -1.067 -16.006 94 H THR 17 H THR 17 -6.657 2.738 -14.121 95 HA THR 17 HA THR 17 -7.381 3.387 -16.842 96 HB THR 17 HB THR 17 -7.725 5.876 -15.820 97 HG1 THR 17 1HG THR 17 -8.205 3.829 -13.822 98 HG21 THR 17 1HG2 THR 17 -10.043 3.948 -15.456 99 HG22 THR 17 2HG2 THR 17 -10.065 5.610 -16.092 100 HG23 THR 17 3HG2 THR 17 -9.429 4.282 -17.093 101 H TRP 18 H TRP 18 -5.581 3.873 -17.926 102 HA TRP 18 HA TRP 18 -3.289 4.746 -16.309 103 HB2 TRP 18 1HB TRP 18 -3.454 3.149 -18.863 104 HB3 TRP 18 2HB TRP 18 -1.967 3.881 -18.294 105 HD1 TRP 18 HD TRP 18 -4.412 1.041 -17.388 106 HE1 TRP 18 1HE TRP 18 -3.318 -0.657 -15.690 107 HE3 TRP 18 3HE TRP 18 -0.225 3.792 -16.523 108 HZ2 TRP 18 2HZ TRP 18 -0.879 -0.659 -14.209 109 HZ3 TRP 18 3HZ TRP 18 1.463 2.871 -14.937 110 HH2 TRP 18 HH TRP 18 1.189 0.726 -13.798 111 H GLN 19 H GLN 19 -3.130 6.954 -16.423 112 HA GLN 19 HA GLN 19 -3.288 8.089 -19.090 113 HB2 GLN 19 1HB GLN 19 -4.705 9.168 -16.616 114 HB3 GLN 19 2HB GLN 19 -4.480 10.102 -18.082 115 HG2 GLN 19 1HG GLN 19 -5.736 7.348 -18.247 116 HG3 GLN 19 2HG GLN 19 -6.709 8.709 -17.728 117 HE21 GLN 19 1HE2 GLN 19 -8.001 9.010 -19.418 118 HE22 GLN 19 2HE2 GLN 19 -7.498 9.391 -21.031 119 HA PRO 20 HA PRO 20 0.311 10.116 -17.758 120 HB2 PRO 20 1HB PRO 20 0.447 12.201 -19.520 121 HB3 PRO 20 2HB PRO 20 0.949 10.572 -19.923 122 HG2 PRO 20 1HG PRO 20 -1.498 12.013 -20.743 123 HG3 PRO 20 2HG PRO 20 -0.776 10.583 -21.454 124 HD2 PRO 20 1HD PRO 20 -3.084 10.675 -19.753 125 HD3 PRO 20 2HD PRO 20 -2.292 9.238 -20.370 126 H SER 21 H SER 21 1.291 11.943 -16.682 127 HA SER 21 HA SER 21 -0.653 13.117 -15.020 128 HB2 SER 21 1HB SER 21 1.214 14.124 -13.869 129 HB3 SER 21 2HB SER 21 1.705 12.508 -14.339 130 HG SER 21 HG SER 21 2.602 15.027 -15.293 131 H LYS 22 H LYS 22 -0.032 15.744 -14.594 132 HA LYS 22 HA LYS 22 -1.348 17.093 -16.575 133 HB2 LYS 22 1HB LYS 22 0.165 17.744 -14.165 134 HB3 LYS 22 2HB LYS 22 0.320 18.990 -15.388 135 HG2 LYS 22 1HG LYS 22 -1.862 19.637 -15.175 136 HG3 LYS 22 2HG LYS 22 -2.447 17.985 -15.168 137 HD2 LYS 22 1HD LYS 22 -1.404 17.907 -12.729 138 HD3 LYS 22 2HD LYS 22 -1.473 19.655 -12.833 139 HE2 LYS 22 1HE LYS 22 -3.941 19.451 -13.445 140 HE3 LYS 22 2HE LYS 22 -3.825 17.729 -13.139 141 HZ1 LYS 22 1HZ LYS 22 -4.579 19.069 -11.235 142 HZ2 LYS 22 2HZ LYS 22 -3.267 18.156 -10.901 143 HZ3 LYS 22 3HZ LYS 22 -3.103 19.762 -11.148 144 H ASP 23 H ASP 23 2.237 16.848 -16.062 145 HA ASP 23 HA ASP 23 2.904 18.368 -18.254 146 HB2 ASP 23 1HB ASP 23 4.218 16.670 -16.322 147 HB3 ASP 23 2HB ASP 23 4.839 16.251 -17.906 148 H GLY 24 H GLY 24 3.395 14.767 -17.956 149 HA2 GLY 24 1HA GLY 24 1.995 13.505 -19.685 150 HA3 GLY 24 2HA GLY 24 2.837 14.518 -20.840 151 H ASP 25 H ASP 25 5.381 14.607 -19.261 152 HA ASP 25 HA ASP 25 6.648 12.500 -20.450 153 HB2 ASP 25 1HB ASP 25 7.594 13.777 -17.855 154 HB3 ASP 25 2HB ASP 25 8.584 13.142 -19.154 155 H ARG 26 H ARG 26 4.747 12.698 -17.508 156 HA ARG 26 HA ARG 26 5.852 10.171 -16.600 157 HB2 ARG 26 1HB ARG 26 4.375 12.435 -15.229 158 HB3 ARG 26 2HB ARG 26 4.287 10.831 -14.529 159 HG2 ARG 26 1HG ARG 26 6.963 12.064 -15.283 160 HG3 ARG 26 2HG ARG 26 6.209 12.420 -13.741 161 HD2 ARG 26 1HD ARG 26 6.633 10.319 -12.894 162 HD3 ARG 26 2HD ARG 26 6.278 9.519 -14.412 163 HE ARG 26 HE ARG 26 8.543 9.715 -15.045 164 HH11 ARG 26 2HH2 ARG 26 7.919 11.645 -12.170 165 HH12 ARG 26 1HH2 ARG 26 9.595 11.947 -11.853 166 HH21 ARG 26 2HH1 ARG 26 10.754 10.114 -14.628 167 HH22 ARG 26 1HH1 ARG 26 11.218 11.070 -13.261 168 H LEU 27 H LEU 27 4.229 8.519 -15.771 169 HA LEU 27 HA LEU 27 1.661 8.786 -17.172 170 HB2 LEU 27 1HB LEU 27 3.667 7.106 -17.936 171 HB3 LEU 27 2HB LEU 27 2.763 6.073 -16.847 172 HG LEU 27 HG LEU 27 1.583 5.561 -18.684 173 HD11 LEU 27 1HD1 LEU 27 -0.450 6.687 -18.869 174 HD12 LEU 27 2HD1 LEU 27 0.098 7.074 -17.220 175 HD13 LEU 27 3HD1 LEU 27 0.282 8.273 -18.522 176 HD21 LEU 27 1HD2 LEU 27 2.631 6.308 -20.515 177 HD22 LEU 27 2HD2 LEU 27 1.386 7.580 -20.524 178 HD23 LEU 27 3HD2 LEU 27 2.978 7.897 -19.793 179 H ILE 28 H ILE 28 -0.113 8.506 -15.909 180 HA ILE 28 HA ILE 28 0.400 7.518 -13.196 181 HB ILE 28 HB ILE 28 -1.843 9.276 -14.193 182 HG12 ILE 28 1HG1 ILE 28 0.096 10.591 -14.424 183 HG13 ILE 28 2HG1 ILE 28 -0.607 11.063 -12.889 184 HG21 ILE 28 1HG2 ILE 28 -1.613 7.730 -11.853 185 HG22 ILE 28 2HG2 ILE 28 -1.300 9.414 -11.366 186 HG23 ILE 28 3HG2 ILE 28 -2.808 8.998 -12.215 187 HD11 ILE 28 1HD1 ILE 28 0.967 9.487 -11.712 188 HD12 ILE 28 2HD1 ILE 28 1.720 9.127 -13.284 189 HD13 ILE 28 3HD1 ILE 28 1.809 10.772 -12.611 190 H GLY 29 H GLY 29 -0.142 5.426 -12.917 191 HA2 GLY 29 1HA GLY 29 -2.332 4.342 -14.567 192 HA3 GLY 29 2HA GLY 29 -1.038 3.425 -13.822 193 H ARG 30 H ARG 30 -4.207 3.610 -13.624 194 HA ARG 30 HA ARG 30 -4.197 3.583 -10.712 195 HB2 ARG 30 1HB ARG 30 -5.844 5.095 -12.548 196 HB3 ARG 30 2HB ARG 30 -6.879 3.938 -11.735 197 HG2 ARG 30 1HG ARG 30 -6.926 5.365 -9.970 198 HG3 ARG 30 2HG ARG 30 -5.261 4.918 -9.659 199 HD2 ARG 30 1HD ARG 30 -4.396 6.843 -10.694 200 HD3 ARG 30 2HD ARG 30 -5.778 7.028 -11.755 201 HE ARG 30 HE ARG 30 -6.530 7.354 -8.965 202 HH11 ARG 30 2HH2 ARG 30 -5.076 9.010 -11.708 203 HH12 ARG 30 1HH2 ARG 30 -5.501 10.591 -11.142 204 HH21 ARG 30 2HH1 ARG 30 -7.092 9.440 -8.218 205 HH22 ARG 30 1HH1 ARG 30 -6.656 10.837 -9.144 206 H ILE 31 H ILE 31 -4.923 1.677 -9.754 207 HA ILE 31 HA ILE 31 -6.319 -0.214 -11.512 208 HB ILE 31 HB ILE 31 -3.918 -0.648 -9.766 209 HG12 ILE 31 1HG1 ILE 31 -3.562 -2.155 -11.977 210 HG13 ILE 31 2HG1 ILE 31 -4.614 -0.923 -12.646 211 HG21 ILE 31 1HG2 ILE 31 -5.885 -2.773 -10.659 212 HG22 ILE 31 2HG2 ILE 31 -4.281 -3.077 -9.948 213 HG23 ILE 31 3HG2 ILE 31 -5.544 -2.272 -8.986 214 HD11 ILE 31 1HD1 ILE 31 -1.887 -0.658 -12.376 215 HD12 ILE 31 2HD1 ILE 31 -3.019 0.711 -12.489 216 HD13 ILE 31 3HD1 ILE 31 -2.461 0.146 -10.896 217 H LEU 32 H LEU 32 -8.338 -0.513 -10.755 218 HA LEU 32 HA LEU 32 -8.690 -0.320 -7.845 219 HB2 LEU 32 1HB LEU 32 -9.813 1.447 -9.062 220 HB3 LEU 32 2HB LEU 32 -10.605 0.280 -10.102 221 HG LEU 32 HG LEU 32 -11.999 1.309 -8.247 222 HD11 LEU 32 1HD1 LEU 32 -13.390 -0.468 -8.314 223 HD12 LEU 32 2HD1 LEU 32 -12.211 -1.061 -9.509 224 HD13 LEU 32 3HD1 LEU 32 -12.127 -1.621 -7.821 225 HD21 LEU 32 1HD2 LEU 32 -9.915 0.679 -6.616 226 HD22 LEU 32 2HD2 LEU 32 -11.577 0.991 -6.064 227 HD23 LEU 32 3HD2 LEU 32 -11.019 -0.682 -6.304 228 H LEU 33 H LEU 33 -9.682 -2.003 -6.745 229 HA LEU 33 HA LEU 33 -10.390 -4.313 -8.417 230 HB2 LEU 33 1HB LEU 33 -9.024 -4.314 -5.722 231 HB3 LEU 33 2HB LEU 33 -9.552 -5.736 -6.600 232 HG LEU 33 HG LEU 33 -7.305 -5.691 -7.086 233 HD11 LEU 33 1HD1 LEU 33 -8.929 -5.418 -9.160 234 HD12 LEU 33 2HD1 LEU 33 -8.003 -3.914 -9.383 235 HD13 LEU 33 3HD1 LEU 33 -7.161 -5.482 -9.355 236 HD21 LEU 33 1HD2 LEU 33 -7.475 -2.672 -7.242 237 HD22 LEU 33 2HD2 LEU 33 -6.697 -3.654 -5.977 238 HD23 LEU 33 3HD2 LEU 33 -6.019 -3.623 -7.622 239 H ASN 34 H ASN 34 -12.218 -5.539 -7.772 240 HA ASN 34 HA ASN 34 -13.736 -4.309 -5.615 241 HB2 ASN 34 1HB ASN 34 -14.560 -3.658 -7.971 242 HB3 ASN 34 2HB ASN 34 -14.952 -5.347 -8.225 243 HD21 ASN 34 1HD2 ASN 34 -16.362 -2.591 -7.682 244 HD22 ASN 34 2HD2 ASN 34 -17.667 -3.005 -6.621 245 H LYS 35 H LYS 35 -14.629 -5.868 -4.203 246 HA LYS 35 HA LYS 35 -14.368 -8.661 -5.075 247 HB2 LYS 35 1HB LYS 35 -14.391 -7.709 -2.208 248 HB3 LYS 35 2HB LYS 35 -13.894 -9.268 -2.833 249 HG2 LYS 35 1HG LYS 35 -11.776 -8.521 -3.132 250 HG3 LYS 35 2HG LYS 35 -12.343 -7.236 -4.180 251 HD2 LYS 35 1HD LYS 35 -11.547 -5.854 -2.536 252 HD3 LYS 35 2HD LYS 35 -13.071 -6.205 -1.746 253 HE2 LYS 35 1HE LYS 35 -10.575 -7.911 -1.331 254 HE3 LYS 35 2HE LYS 35 -10.957 -6.535 -0.316 255 HZ1 LYS 35 1HZ LYS 35 -13.198 -8.209 -0.604 256 HZ2 LYS 35 2HZ LYS 35 -11.922 -9.068 -0.055 257 HZ3 LYS 35 3HZ LYS 35 -12.429 -7.747 0.760 258 H ARG 36 H ARG 36 -16.459 -6.110 -3.782 259 HA ARG 36 HA ARG 36 -18.463 -7.369 -2.650 260 HB2 ARG 36 1HB ARG 36 -18.356 -5.081 -4.605 261 HB3 ARG 36 2HB ARG 36 -19.946 -5.712 -4.224 262 HG2 ARG 36 1HG ARG 36 -19.679 -5.257 -1.868 263 HG3 ARG 36 2HG ARG 36 -17.954 -4.994 -2.035 264 HD2 ARG 36 1HD ARG 36 -20.138 -3.222 -3.239 265 HD3 ARG 36 2HD ARG 36 -19.190 -2.838 -1.816 266 HE ARG 36 HE ARG 36 -17.242 -3.311 -3.705 267 HH11 ARG 36 2HH2 ARG 36 -20.107 -1.269 -3.679 268 HH12 ARG 36 1HH2 ARG 36 -19.434 -0.090 -4.755 269 HH21 ARG 36 2HH1 ARG 36 -16.352 -1.756 -5.124 270 HH22 ARG 36 1HH1 ARG 36 -17.283 -0.369 -5.582 271 H LEU 37 H LEU 37 -19.353 -9.353 -3.173 272 HA LEU 37 HA LEU 37 -19.391 -10.378 -5.773 273 HB2 LEU 37 1HB LEU 37 -21.038 -11.177 -3.370 274 HB3 LEU 37 2HB LEU 37 -20.793 -12.135 -4.816 275 HG LEU 37 HG LEU 37 -18.379 -11.250 -3.282 276 HD11 LEU 37 1HD1 LEU 37 -19.635 -13.806 -2.419 277 HD12 LEU 37 2HD1 LEU 37 -18.617 -12.656 -1.518 278 HD13 LEU 37 3HD1 LEU 37 -20.338 -12.295 -1.793 279 HD21 LEU 37 1HD2 LEU 37 -18.286 -13.968 -4.067 280 HD22 LEU 37 2HD2 LEU 37 -18.982 -13.054 -5.427 281 HD23 LEU 37 3HD2 LEU 37 -17.401 -12.586 -4.755 282 H LYS 38 H LYS 38 -21.946 -11.385 -6.245 283 HA LYS 38 HA LYS 38 -23.125 -9.269 -7.592 284 HB2 LYS 38 1HB LYS 38 -23.381 -12.017 -7.535 285 HB3 LYS 38 2HB LYS 38 -24.926 -11.488 -6.898 286 HG2 LYS 38 1HG LYS 38 -25.157 -9.917 -8.867 287 HG3 LYS 38 2HG LYS 38 -23.658 -10.552 -9.516 288 HD2 LYS 38 1HD LYS 38 -24.738 -12.888 -9.418 289 HD3 LYS 38 2HD LYS 38 -26.252 -12.087 -9.049 290 HE2 LYS 38 1HE LYS 38 -26.290 -10.941 -11.171 291 HE3 LYS 38 2HE LYS 38 -24.608 -11.310 -11.491 292 HZ1 LYS 38 1HZ LYS 38 -26.293 -12.727 -12.630 293 HZ2 LYS 38 2HZ LYS 38 -25.129 -13.545 -11.828 294 HZ3 LYS 38 3HZ LYS 38 -26.625 -13.414 -11.186 295 H ASP 39 H ASP 39 -23.718 -10.638 -4.326 296 HA ASP 39 HA ASP 39 -26.041 -9.148 -3.889 297 HB2 ASP 39 1HB ASP 39 -24.261 -10.937 -2.396 298 HB3 ASP 39 2HB ASP 39 -24.782 -9.605 -1.384 299 H GLY 40 H GLY 40 -22.521 -8.636 -3.403 300 HA2 GLY 40 1HA GLY 40 -21.430 -6.626 -3.264 301 HA3 GLY 40 2HA GLY 40 -22.954 -5.791 -3.037 302 H SER 41 H SER 41 -21.290 -8.503 -1.267 303 HA SER 41 HA SER 41 -21.355 -6.792 1.083 304 HB2 SER 41 1HB SER 41 -23.195 -8.735 0.846 305 HB3 SER 41 2HB SER 41 -21.877 -9.739 1.415 306 HG SER 41 HG SER 41 -22.759 -7.326 2.753 307 H VAL 42 H VAL 42 -19.440 -8.163 -1.116 308 HA VAL 42 HA VAL 42 -17.352 -8.878 -1.186 309 HB VAL 42 HB VAL 42 -17.474 -7.599 1.516 310 HG11 VAL 42 1HG1 VAL 42 -15.478 -9.575 0.665 311 HG12 VAL 42 2HG1 VAL 42 -14.770 -8.007 1.121 312 HG13 VAL 42 3HG1 VAL 42 -15.799 -8.887 2.275 313 HG21 VAL 42 1HG2 VAL 42 -15.941 -7.016 -1.039 314 HG22 VAL 42 2HG2 VAL 42 -17.369 -6.148 -0.426 315 HG23 VAL 42 3HG2 VAL 42 -15.828 -6.064 0.461 316 HA PRO 43 HA PRO 43 -17.698 -12.944 0.284 317 HB2 PRO 43 1HB PRO 43 -15.470 -14.007 -0.889 318 HB3 PRO 43 2HB PRO 43 -16.991 -13.802 -1.733 319 HG2 PRO 43 1HG PRO 43 -14.511 -12.211 -1.971 320 HG3 PRO 43 2HG PRO 43 -15.867 -12.301 -3.077 321 HD2 PRO 43 1HD PRO 43 -15.287 -10.174 -1.242 322 HD3 PRO 43 2HD PRO 43 -16.703 -10.320 -2.264 323 H ARG 44 H ARG 44 -16.463 -14.712 1.468 324 HA ARG 44 HA ARG 44 -15.763 -13.864 3.847 325 HB2 ARG 44 1HB ARG 44 -15.308 -16.258 2.290 326 HB3 ARG 44 2HB ARG 44 -13.851 -15.939 3.209 327 HG2 ARG 44 1HG ARG 44 -16.478 -15.679 4.658 328 HG3 ARG 44 2HG ARG 44 -15.944 -17.298 4.250 329 HD2 ARG 44 1HD ARG 44 -13.638 -16.559 5.293 330 HD3 ARG 44 2HD ARG 44 -14.553 -15.250 6.013 331 HE ARG 44 HE ARG 44 -15.959 -17.693 6.499 332 HH11 ARG 44 2HH2 ARG 44 -12.990 -16.063 7.452 333 HH12 ARG 44 1HH2 ARG 44 -12.909 -16.839 8.998 334 HH21 ARG 44 2HH1 ARG 44 -15.853 -18.717 8.539 335 HH22 ARG 44 1HH1 ARG 44 -14.549 -18.359 9.621 336 H ASP 45 H ASP 45 -13.490 -14.177 1.037 337 HA ASP 45 HA ASP 45 -12.018 -11.965 1.824 338 HB2 ASP 45 1HB ASP 45 -9.822 -13.453 2.138 339 HB3 ASP 45 2HB ASP 45 -10.839 -13.045 3.505 340 H SER 46 H SER 46 -12.600 -11.776 -0.528 341 HA SER 46 HA SER 46 -11.924 -13.608 -2.430 342 HB2 SER 46 1HB SER 46 -12.974 -10.995 -2.353 343 HB3 SER 46 2HB SER 46 -11.545 -10.845 -3.356 344 HG SER 46 HG SER 46 -12.427 -12.095 -4.901 345 H GLY 47 H GLY 47 -10.015 -10.772 -1.201 346 HA2 GLY 47 1HA GLY 47 -7.539 -12.083 -1.379 347 HA3 GLY 47 2HA GLY 47 -7.769 -11.143 -2.840 348 H ALA 48 H ALA 48 -7.418 -11.020 0.703 349 HA ALA 48 HA ALA 48 -7.855 -8.343 1.157 350 HB1 ALA 48 1HB ALA 48 -5.659 -9.162 2.761 351 HB2 ALA 48 2HB ALA 48 -7.385 -9.161 3.195 352 HB3 ALA 48 3HB ALA 48 -6.648 -10.615 2.480 353 H MET 49 H MET 49 -4.781 -10.020 0.197 354 HA MET 49 HA MET 49 -3.489 -7.492 -0.091 355 HB2 MET 49 1HB MET 49 -2.766 -10.292 0.141 356 HB3 MET 49 2HB MET 49 -2.037 -9.682 -1.332 357 HG2 MET 49 1HG MET 49 -1.688 -7.696 0.754 358 HG3 MET 49 2HG MET 49 -1.172 -9.251 1.376 359 HE1 MET 49 1HE MET 49 1.353 -6.533 -0.248 360 HE2 MET 49 2HE MET 49 0.162 -6.448 -1.569 361 HE3 MET 49 3HE MET 49 -0.376 -6.334 0.124 362 H LEU 50 H LEU 50 -5.871 -8.719 -1.872 363 HA LEU 50 HA LEU 50 -6.573 -8.386 -3.941 364 HB2 LEU 50 1HB LEU 50 -4.046 -6.759 -4.229 365 HB3 LEU 50 2HB LEU 50 -5.300 -6.860 -5.449 366 HG LEU 50 HG LEU 50 -5.353 -4.810 -3.998 367 HD11 LEU 50 1HD1 LEU 50 -7.403 -6.238 -5.125 368 HD12 LEU 50 2HD1 LEU 50 -7.973 -6.017 -3.453 369 HD13 LEU 50 3HD1 LEU 50 -7.536 -4.601 -4.439 370 HD21 LEU 50 1HD2 LEU 50 -4.760 -6.043 -1.885 371 HD22 LEU 50 2HD2 LEU 50 -6.114 -4.896 -1.748 372 HD23 LEU 50 3HD2 LEU 50 -6.435 -6.644 -1.850 373 H GLY 51 H GLY 51 -2.973 -8.886 -4.083 374 HA2 GLY 51 1HA GLY 51 -2.808 -11.459 -4.770 375 HA3 GLY 51 2HA GLY 51 -3.316 -10.748 -6.289 376 H LEU 52 H LEU 52 -1.886 -8.114 -5.383 377 HA LEU 52 HA LEU 52 0.749 -8.994 -6.302 378 HB2 LEU 52 1HB LEU 52 0.923 -7.080 -7.454 379 HB3 LEU 52 2HB LEU 52 -0.826 -7.178 -7.413 380 HG LEU 52 HG LEU 52 -0.153 -4.922 -6.949 381 HD11 LEU 52 1HD1 LEU 52 -0.889 -5.815 -4.198 382 HD12 LEU 52 2HD1 LEU 52 -1.565 -4.512 -5.205 383 HD13 LEU 52 3HD1 LEU 52 -1.993 -6.208 -5.538 384 HD21 LEU 52 1HD2 LEU 52 2.119 -5.906 -5.890 385 HD22 LEU 52 2HD2 LEU 52 1.533 -4.250 -5.604 386 HD23 LEU 52 3HD2 LEU 52 1.232 -5.522 -4.396 387 H LYS 53 H LYS 53 2.681 -8.077 -5.290 388 HA LYS 53 HA LYS 53 2.171 -7.518 -2.455 389 HB2 LYS 53 1HB LYS 53 3.566 -9.586 -3.439 390 HB3 LYS 53 2HB LYS 53 4.854 -8.399 -3.417 391 HG2 LYS 53 1HG LYS 53 3.109 -8.605 -0.968 392 HG3 LYS 53 2HG LYS 53 4.256 -9.898 -1.255 393 HD2 LYS 53 1HD LYS 53 5.731 -7.532 -1.738 394 HD3 LYS 53 2HD LYS 53 4.747 -7.152 -0.339 395 HE2 LYS 53 1HE LYS 53 6.414 -9.702 -0.548 396 HE3 LYS 53 2HE LYS 53 7.024 -8.222 0.165 397 HZ1 LYS 53 1HZ LYS 53 4.655 -8.553 1.380 398 HZ2 LYS 53 2HZ LYS 53 5.172 -10.095 1.231 399 HZ3 LYS 53 3HZ LYS 53 6.098 -8.994 2.004 400 H VAL 54 H VAL 54 3.454 -5.867 -1.399 401 HA VAL 54 HA VAL 54 4.875 -4.074 -3.201 402 HB VAL 54 HB VAL 54 2.521 -3.301 -1.470 403 HG11 VAL 54 1HG1 VAL 54 2.962 -0.993 -2.030 404 HG12 VAL 54 2HG1 VAL 54 4.419 -1.688 -1.281 405 HG13 VAL 54 3HG1 VAL 54 4.349 -1.458 -3.044 406 HG21 VAL 54 1HG2 VAL 54 2.951 -3.676 -4.383 407 HG22 VAL 54 2HG2 VAL 54 1.471 -3.835 -3.408 408 HG23 VAL 54 3HG2 VAL 54 2.038 -2.224 -3.908 409 H VAL 55 H VAL 55 6.620 -3.057 -2.217 410 HA VAL 55 HA VAL 55 6.930 -3.653 0.645 411 HB VAL 55 HB VAL 55 8.802 -3.878 -1.680 412 HG11 VAL 55 1HG1 VAL 55 9.635 -3.345 1.191 413 HG12 VAL 55 2HG1 VAL 55 10.720 -3.950 -0.084 414 HG13 VAL 55 3HG1 VAL 55 9.981 -2.338 -0.235 415 HG21 VAL 55 1HG2 VAL 55 8.370 -5.592 0.790 416 HG22 VAL 55 2HG2 VAL 55 7.636 -5.874 -0.806 417 HG23 VAL 55 3HG2 VAL 55 9.401 -5.985 -0.606 418 H GLY 56 H GLY 56 6.690 -1.819 1.808 419 HA2 GLY 56 1HA GLY 56 7.360 0.739 0.533 420 HA3 GLY 56 2HA GLY 56 6.371 0.495 1.959 421 H GLY 57 H GLY 57 8.020 2.372 2.545 422 HA2 GLY 57 1HA GLY 57 9.668 3.028 3.924 423 HA3 GLY 57 2HA GLY 57 9.742 1.385 4.528 424 H LYS 58 H LYS 58 10.146 1.750 1.067 425 HA LYS 58 HA LYS 58 12.835 0.788 1.281 426 HB2 LYS 58 1HB LYS 58 11.375 -0.124 -0.413 427 HB3 LYS 58 2HB LYS 58 11.060 1.466 -1.080 428 HG2 LYS 58 1HG LYS 58 12.970 1.427 -2.315 429 HG3 LYS 58 2HG LYS 58 13.942 0.982 -0.927 430 HD2 LYS 58 1HD LYS 58 14.222 -0.960 -2.146 431 HD3 LYS 58 2HD LYS 58 12.745 -1.407 -1.316 432 HE2 LYS 58 1HE LYS 58 11.459 -1.258 -3.226 433 HE3 LYS 58 2HE LYS 58 12.322 0.144 -3.827 434 HZ1 LYS 58 1HZ LYS 58 13.671 -1.146 -4.990 435 HZ2 LYS 58 2HZ LYS 58 13.929 -2.199 -3.769 436 HZ3 LYS 58 3HZ LYS 58 12.617 -2.366 -4.726 437 H MET 59 H MET 59 14.590 2.044 1.567 438 HA MET 59 HA MET 59 14.307 4.861 1.242 439 HB2 MET 59 1HB MET 59 15.757 3.269 2.933 440 HB3 MET 59 2HB MET 59 16.987 3.549 1.716 441 HG2 MET 59 1HG MET 59 17.374 5.391 3.092 442 HG3 MET 59 2HG MET 59 16.227 6.101 1.974 443 HE1 MET 59 1HE MET 59 15.402 7.748 2.979 444 HE2 MET 59 2HE MET 59 13.705 7.264 3.217 445 HE3 MET 59 3HE MET 59 14.646 7.909 4.583 446 H THR 60 H THR 60 14.455 5.793 -0.754 447 HA THR 60 HA THR 60 15.902 4.468 -2.859 448 HB THR 60 HB THR 60 14.947 6.303 -4.211 449 HG1 THR 60 1HG THR 60 13.871 7.334 -1.718 450 HG21 THR 60 1HG2 THR 60 12.502 6.341 -3.100 451 HG22 THR 60 2HG2 THR 60 13.114 4.864 -3.882 452 HG23 THR 60 3HG2 THR 60 13.181 5.026 -2.111 453 H GLU 61 H GLU 61 16.920 6.740 -4.252 454 HA GLU 61 HA GLU 61 19.395 6.912 -2.852 455 HB2 GLU 61 1HB GLU 61 18.804 6.750 -5.480 456 HB3 GLU 61 2HB GLU 61 18.878 8.496 -5.354 457 HG2 GLU 61 1HG GLU 61 21.159 8.363 -4.389 458 HG3 GLU 61 2HG GLU 61 21.087 6.612 -4.402 459 H SER 62 H SER 62 16.555 8.951 -3.471 460 HA SER 62 HA SER 62 17.945 11.276 -2.501 461 HB2 SER 62 1HB SER 62 15.871 10.899 -4.312 462 HB3 SER 62 2HB SER 62 15.012 11.454 -2.889 463 HG SER 62 HG SER 62 15.597 13.310 -4.006 464 H GLY 63 H GLY 63 17.345 8.773 -0.826 465 HA2 GLY 63 1HA GLY 63 16.740 8.302 1.286 466 HA3 GLY 63 2HA GLY 63 16.765 10.026 1.599 467 H ARG 64 H ARG 64 14.656 8.959 -0.994 468 HA ARG 64 HA ARG 64 12.422 9.714 0.642 469 HB2 ARG 64 1HB ARG 64 13.057 9.637 -2.235 470 HB3 ARG 64 2HB ARG 64 11.469 8.969 -1.916 471 HG2 ARG 64 1HG ARG 64 12.338 11.620 -0.698 472 HG3 ARG 64 2HG ARG 64 11.657 11.542 -2.311 473 HD2 ARG 64 1HD ARG 64 9.687 10.213 -1.223 474 HD3 ARG 64 2HD ARG 64 10.323 10.765 0.314 475 HE ARG 64 HE ARG 64 10.056 12.982 -1.529 476 HH11 ARG 64 2HH2 ARG 64 8.194 10.876 0.587 477 HH12 ARG 64 1HH2 ARG 64 6.928 12.032 0.834 478 HH21 ARG 64 2HH1 ARG 64 8.385 14.507 -1.204 479 HH22 ARG 64 1HH1 ARG 64 7.037 14.111 -0.192 480 H LEU 65 H LEU 65 10.446 8.344 0.776 481 HA LEU 65 HA LEU 65 11.121 5.497 0.511 482 HB2 LEU 65 1HB LEU 65 9.231 6.818 2.462 483 HB3 LEU 65 2HB LEU 65 9.583 5.105 2.359 484 HG LEU 65 HG LEU 65 11.704 7.177 2.960 485 HD11 LEU 65 1HD1 LEU 65 11.339 7.032 5.229 486 HD12 LEU 65 2HD1 LEU 65 9.674 7.010 4.601 487 HD13 LEU 65 3HD1 LEU 65 10.455 5.492 5.104 488 HD21 LEU 65 1HD2 LEU 65 11.714 4.312 2.523 489 HD22 LEU 65 2HD2 LEU 65 13.074 5.449 2.689 490 HD23 LEU 65 3HD2 LEU 65 12.338 4.722 4.139 491 H CYS 66 H CYS 66 9.743 4.157 -0.625 492 HA CYS 66 HA CYS 66 7.138 5.122 -1.339 493 HB2 CYS 66 1HB CYS 66 9.027 5.979 -3.047 494 HB3 CYS 66 2HB CYS 66 8.774 4.383 -3.725 495 HG CYS 66 HG CYS 66 7.304 6.772 -4.523 496 H ALA 67 H ALA 67 5.849 3.333 -2.309 497 HA ALA 67 HA ALA 67 6.988 0.746 -1.553 498 HB1 ALA 67 1HB ALA 67 4.168 0.726 -2.242 499 HB2 ALA 67 2HB ALA 67 4.952 0.342 -0.690 500 HB3 ALA 67 3HB ALA 67 4.511 2.024 -1.073 501 H PHE 68 H PHE 68 7.679 -0.622 -3.117 502 HA PHE 68 HA PHE 68 6.619 -0.157 -5.816 503 HB2 PHE 68 1HB PHE 68 9.300 -1.364 -4.913 504 HB3 PHE 68 2HB PHE 68 8.870 -0.943 -6.559 505 HD1 PHE 68 1HD PHE 68 8.715 1.439 -7.226 506 HD2 PHE 68 2HD PHE 68 10.088 0.294 -3.377 507 HE1 PHE 68 1HE PHE 68 9.708 3.721 -6.901 508 HE2 PHE 68 2HE PHE 68 11.081 2.576 -3.052 509 HZ PHE 68 HZ PHE 68 10.879 4.262 -4.818 510 H ILE 69 H ILE 69 6.038 -1.974 -7.077 511 HA ILE 69 HA ILE 69 5.128 -4.192 -5.616 512 HB ILE 69 HB ILE 69 5.426 -3.677 -8.573 513 HG12 ILE 69 1HG1 ILE 69 3.003 -3.558 -6.754 514 HG13 ILE 69 2HG1 ILE 69 3.898 -2.169 -7.337 515 HG21 ILE 69 1HG2 ILE 69 5.330 -6.161 -7.671 516 HG22 ILE 69 2HG2 ILE 69 3.597 -5.787 -7.510 517 HG23 ILE 69 3HG2 ILE 69 4.395 -5.648 -9.096 518 HD11 ILE 69 1HD1 ILE 69 2.895 -2.245 -9.378 519 HD12 ILE 69 2HD1 ILE 69 3.149 -4.000 -9.523 520 HD13 ILE 69 3HD1 ILE 69 1.741 -3.375 -8.632 521 H THR 70 H THR 70 6.043 -6.141 -5.128 522 HA THR 70 HA THR 70 8.795 -6.524 -6.092 523 HB THR 70 HB THR 70 8.987 -7.929 -4.012 524 HG1 THR 70 1HG THR 70 7.026 -8.487 -3.157 525 HG21 THR 70 1HG2 THR 70 9.379 -6.081 -2.714 526 HG22 THR 70 2HG2 THR 70 8.776 -5.116 -4.083 527 HG23 THR 70 3HG2 THR 70 7.666 -5.600 -2.778 528 H LYS 71 H LYS 71 5.586 -8.085 -5.711 529 HA LYS 71 HA LYS 71 6.211 -9.783 -7.930 530 HB2 LYS 71 1HB LYS 71 7.300 -11.026 -6.109 531 HB3 LYS 71 2HB LYS 71 5.805 -11.033 -5.196 532 HG2 LYS 71 1HG LYS 71 4.928 -12.743 -6.425 533 HG3 LYS 71 2HG LYS 71 5.400 -12.008 -7.945 534 HD2 LYS 71 1HD LYS 71 7.708 -13.021 -6.389 535 HD3 LYS 71 2HD LYS 71 6.561 -14.280 -6.804 536 HE2 LYS 71 1HE LYS 71 6.885 -14.021 -9.112 537 HE3 LYS 71 2HE LYS 71 7.334 -12.333 -8.973 538 HZ1 LYS 71 1HZ LYS 71 9.105 -14.169 -7.661 539 HZ2 LYS 71 2HZ LYS 71 9.070 -14.298 -9.288 540 HZ3 LYS 71 3HZ LYS 71 9.450 -12.871 -8.590 541 H VAL 72 H VAL 72 4.327 -10.526 -8.954 542 HA VAL 72 HA VAL 72 1.817 -9.942 -7.572 543 HB VAL 72 HB VAL 72 2.045 -7.988 -8.802 544 HG11 VAL 72 1HG1 VAL 72 3.613 -9.670 -10.635 545 HG12 VAL 72 2HG1 VAL 72 2.573 -8.483 -11.460 546 HG13 VAL 72 3HG1 VAL 72 3.762 -7.938 -10.253 547 HG21 VAL 72 1HG2 VAL 72 0.457 -8.214 -10.741 548 HG22 VAL 72 2HG2 VAL 72 0.507 -9.977 -10.499 549 HG23 VAL 72 3HG2 VAL 72 -0.127 -8.920 -9.215 550 H LYS 73 H LYS 73 0.758 -11.850 -7.472 551 HA LYS 73 HA LYS 73 1.457 -14.085 -8.934 552 HB2 LYS 73 1HB LYS 73 0.168 -13.999 -6.785 553 HB3 LYS 73 2HB LYS 73 -1.241 -13.486 -7.691 554 HG2 LYS 73 1HG LYS 73 -1.584 -15.795 -7.660 555 HG3 LYS 73 2HG LYS 73 -0.728 -15.626 -9.179 556 HD2 LYS 73 1HD LYS 73 1.318 -15.854 -7.234 557 HD3 LYS 73 2HD LYS 73 0.101 -17.010 -6.728 558 HE2 LYS 73 1HE LYS 73 0.141 -17.533 -9.418 559 HE3 LYS 73 2HE LYS 73 1.793 -16.992 -9.200 560 HZ1 LYS 73 1HZ LYS 73 2.258 -18.734 -7.864 561 HZ2 LYS 73 2HZ LYS 73 0.743 -18.878 -7.271 562 HZ3 LYS 73 3HZ LYS 73 1.093 -19.444 -8.762 563 H LYS 74 H LYS 74 0.676 -15.077 -10.819 564 HA LYS 74 HA LYS 74 -0.574 -13.205 -12.653 565 HB2 LYS 74 1HB LYS 74 1.314 -14.172 -13.613 566 HB3 LYS 74 2HB LYS 74 0.993 -15.754 -12.932 567 HG2 LYS 74 1HG LYS 74 -1.203 -14.825 -14.673 568 HG3 LYS 74 2HG LYS 74 0.327 -14.903 -15.523 569 HD2 LYS 74 1HD LYS 74 0.318 -17.278 -14.034 570 HD3 LYS 74 2HD LYS 74 -1.363 -17.100 -14.495 571 HE2 LYS 74 1HE LYS 74 -0.718 -16.868 -16.881 572 HE3 LYS 74 2HE LYS 74 0.979 -16.942 -16.452 573 HZ1 LYS 74 1HZ LYS 74 -1.001 -19.065 -16.398 574 HZ2 LYS 74 2HZ LYS 74 0.530 -19.092 -16.967 575 HZ3 LYS 74 3HZ LYS 74 0.255 -19.150 -15.358 576 H GLY 75 H GLY 75 -2.760 -13.091 -12.491 577 HA2 GLY 75 1HA GLY 75 -4.734 -14.261 -13.299 578 HA3 GLY 75 2HA GLY 75 -4.212 -15.667 -12.393 579 H SER 76 H SER 76 -3.682 -12.464 -10.992 580 HA SER 76 HA SER 76 -5.895 -13.028 -9.176 581 HB2 SER 76 1HB SER 76 -3.304 -12.981 -8.441 582 HB3 SER 76 2HB SER 76 -3.606 -11.257 -8.349 583 HG SER 76 HG SER 76 -5.184 -13.290 -7.014 584 H LEU 77 H LEU 77 -6.716 -10.902 -8.054 585 HA LEU 77 HA LEU 77 -7.861 -9.263 -9.862 586 HB2 LEU 77 1HB LEU 77 -7.132 -8.967 -6.982 587 HB3 LEU 77 2HB LEU 77 -7.762 -7.571 -7.835 588 HG LEU 77 HG LEU 77 -9.273 -10.147 -8.037 589 HD11 LEU 77 1HD1 LEU 77 -10.180 -8.557 -5.779 590 HD12 LEU 77 2HD1 LEU 77 -9.866 -10.305 -5.899 591 HD13 LEU 77 3HD1 LEU 77 -8.533 -9.184 -5.531 592 HD21 LEU 77 1HD2 LEU 77 -11.166 -8.744 -8.300 593 HD22 LEU 77 2HD2 LEU 77 -10.281 -7.314 -7.718 594 HD23 LEU 77 3HD2 LEU 77 -9.868 -8.037 -9.291 595 H ALA 78 H ALA 78 -4.936 -8.306 -7.919 596 HA ALA 78 HA ALA 78 -4.408 -6.134 -9.680 597 HB1 ALA 78 1HB ALA 78 -2.246 -6.099 -8.277 598 HB2 ALA 78 2HB ALA 78 -3.781 -5.863 -7.408 599 HB3 ALA 78 3HB ALA 78 -2.964 -7.443 -7.358 600 H ASP 79 H ASP 79 -4.648 -7.968 -11.528 601 HA ASP 79 HA ASP 79 -2.163 -8.070 -12.716 602 HB2 ASP 79 1HB ASP 79 -1.937 -9.929 -10.924 603 HB3 ASP 79 2HB ASP 79 -3.130 -10.826 -11.842 604 H THR 80 H THR 80 -5.343 -9.732 -12.235 605 HA THR 80 HA THR 80 -5.591 -10.277 -15.072 606 HB THR 80 HB THR 80 -7.763 -11.319 -14.255 607 HG1 THR 80 1HG THR 80 -8.035 -9.857 -12.432 608 HG21 THR 80 1HG2 THR 80 -5.701 -12.730 -14.177 609 HG22 THR 80 2HG2 THR 80 -5.285 -12.028 -12.595 610 HG23 THR 80 3HG2 THR 80 -6.734 -13.047 -12.763 611 H VAL 81 H VAL 81 -6.938 -8.049 -12.601 612 HA VAL 81 HA VAL 81 -8.419 -6.742 -14.768 613 HB VAL 81 HB VAL 81 -9.554 -5.600 -12.798 614 HG11 VAL 81 1HG1 VAL 81 -11.198 -7.046 -13.228 615 HG12 VAL 81 2HG1 VAL 81 -10.016 -8.068 -14.082 616 HG13 VAL 81 3HG1 VAL 81 -10.349 -8.344 -12.355 617 HG21 VAL 81 1HG2 VAL 81 -9.440 -6.641 -10.629 618 HG22 VAL 81 2HG2 VAL 81 -8.342 -7.903 -11.237 619 HG23 VAL 81 3HG2 VAL 81 -7.787 -6.215 -11.133 620 H GLY 82 H GLY 82 -6.019 -6.290 -12.131 621 HA2 GLY 82 1HA GLY 82 -5.692 -3.482 -12.669 622 HA3 GLY 82 2HA GLY 82 -4.750 -4.486 -11.585 623 H HIS 83 H HIS 83 -4.068 -6.573 -13.553 624 HA HIS 83 HA HIS 83 -2.462 -7.044 -14.970 625 HB2 HIS 83 1HB HIS 83 -3.264 -4.430 -16.280 626 HB3 HIS 83 2HB HIS 83 -2.239 -5.648 -17.012 627 HD1 HIS 83 1HD HIS 83 -3.501 -8.174 -17.112 628 HD2 HIS 83 2HD HIS 83 -5.896 -4.735 -16.926 629 HE1 HIS 83 1HE HIS 83 -5.812 -8.866 -17.945 630 H LEU 84 H LEU 84 -1.636 -5.954 -12.528 631 HA LEU 84 HA LEU 84 0.288 -3.887 -13.056 632 HB2 LEU 84 1HB LEU 84 -0.274 -5.547 -10.595 633 HB3 LEU 84 2HB LEU 84 0.853 -4.207 -10.671 634 HG LEU 84 HG LEU 84 -1.984 -3.709 -11.484 635 HD11 LEU 84 1HD1 LEU 84 -2.144 -3.086 -8.863 636 HD12 LEU 84 2HD1 LEU 84 -2.711 -4.625 -9.555 637 HD13 LEU 84 3HD1 LEU 84 -1.113 -4.534 -8.776 638 HD21 LEU 84 1HD2 LEU 84 -1.497 -1.518 -10.376 639 HD22 LEU 84 2HD2 LEU 84 0.170 -2.084 -10.113 640 HD23 LEU 84 3HD2 LEU 84 -0.454 -1.895 -11.769 641 H ARG 85 H ARG 85 2.613 -4.408 -11.976 642 HA ARG 85 HA ARG 85 3.436 -7.066 -12.651 643 HB2 ARG 85 1HB ARG 85 4.092 -4.652 -14.312 644 HB3 ARG 85 2HB ARG 85 5.431 -5.734 -13.981 645 HG2 ARG 85 1HG ARG 85 4.589 -7.400 -15.317 646 HG3 ARG 85 2HG ARG 85 2.943 -7.146 -14.772 647 HD2 ARG 85 1HD ARG 85 2.458 -5.667 -16.477 648 HD3 ARG 85 2HD ARG 85 4.043 -4.921 -16.425 649 HE ARG 85 HE ARG 85 4.707 -6.353 -18.139 650 HH11 ARG 85 2HH2 ARG 85 2.002 -7.828 -16.439 651 HH12 ARG 85 1HH2 ARG 85 1.901 -9.183 -17.514 652 HH21 ARG 85 2HH1 ARG 85 4.573 -8.140 -19.557 653 HH22 ARG 85 1HH1 ARG 85 3.373 -9.362 -19.299 654 HA PRO 86 HA PRO 86 6.298 -6.101 -9.507 655 HB2 PRO 86 1HB PRO 86 8.290 -7.919 -9.946 656 HB3 PRO 86 2HB PRO 86 6.786 -8.321 -9.141 657 HG2 PRO 86 1HG PRO 86 7.648 -8.976 -11.892 658 HG3 PRO 86 2HG PRO 86 6.372 -9.707 -10.937 659 HD2 PRO 86 1HD PRO 86 6.050 -7.827 -13.080 660 HD3 PRO 86 2HD PRO 86 4.786 -8.469 -12.050 661 H GLY 87 H GLY 87 6.995 -4.028 -9.666 662 HA2 GLY 87 1HA GLY 87 9.514 -3.339 -9.968 663 HA3 GLY 87 2HA GLY 87 9.078 -3.522 -11.655 664 H ASP 88 H ASP 88 6.152 -2.728 -10.743 665 HA ASP 88 HA ASP 88 6.414 -0.063 -11.505 666 HB2 ASP 88 1HB ASP 88 4.276 -1.948 -10.785 667 HB3 ASP 88 2HB ASP 88 3.923 -0.340 -10.186 668 H GLU 89 H GLU 89 5.094 1.673 -9.977 669 HA GLU 89 HA GLU 89 6.034 1.278 -7.248 670 HB2 GLU 89 1HB GLU 89 7.604 2.783 -8.445 671 HB3 GLU 89 2HB GLU 89 6.277 3.837 -8.892 672 HG2 GLU 89 1HG GLU 89 5.784 4.127 -6.395 673 HG3 GLU 89 2HG GLU 89 7.264 3.250 -6.064 674 H VAL 90 H VAL 90 4.119 0.998 -6.150 675 HA VAL 90 HA VAL 90 1.736 2.310 -6.988 676 HB VAL 90 HB VAL 90 1.642 0.124 -6.026 677 HG11 VAL 90 1HG1 VAL 90 3.438 1.296 -4.010 678 HG12 VAL 90 2HG1 VAL 90 2.150 0.275 -3.327 679 HG13 VAL 90 3HG1 VAL 90 3.259 -0.390 -4.549 680 HG21 VAL 90 1HG2 VAL 90 -0.366 1.127 -5.518 681 HG22 VAL 90 2HG2 VAL 90 0.202 0.715 -3.882 682 HG23 VAL 90 3HG2 VAL 90 0.386 2.376 -4.497 683 H LEU 91 H LEU 91 1.764 4.530 -6.883 684 HA LEU 91 HA LEU 91 3.118 5.943 -4.868 685 HB2 LEU 91 1HB LEU 91 0.941 6.750 -6.798 686 HB3 LEU 91 2HB LEU 91 1.785 7.871 -5.748 687 HG LEU 91 HG LEU 91 3.145 6.144 -7.833 688 HD11 LEU 91 1HD1 LEU 91 3.368 8.713 -8.735 689 HD12 LEU 91 2HD1 LEU 91 2.175 7.524 -9.309 690 HD13 LEU 91 3HD1 LEU 91 1.721 8.708 -8.060 691 HD21 LEU 91 1HD2 LEU 91 4.110 8.263 -5.930 692 HD22 LEU 91 2HD2 LEU 91 4.794 6.658 -6.286 693 HD23 LEU 91 3HD2 LEU 91 4.946 7.974 -7.475 694 H GLU 92 H GLU 92 -0.422 5.303 -5.390 695 HA GLU 92 HA GLU 92 -0.698 5.698 -2.511 696 HB2 GLU 92 1HB GLU 92 -2.740 6.353 -4.682 697 HB3 GLU 92 2HB GLU 92 -3.000 6.542 -2.959 698 HG2 GLU 92 1HG GLU 92 -1.756 8.468 -2.847 699 HG3 GLU 92 2HG GLU 92 -0.517 7.852 -3.923 700 H TRP 93 H TRP 93 -2.817 4.562 -1.669 701 HA TRP 93 HA TRP 93 -3.436 2.164 -3.191 702 HB2 TRP 93 1HB TRP 93 -1.511 1.468 -1.915 703 HB3 TRP 93 2HB TRP 93 -2.199 2.108 -0.435 704 HD1 TRP 93 HD TRP 93 -4.550 0.753 0.423 705 HE1 TRP 93 1HE TRP 93 -5.210 -1.800 0.333 706 HE3 TRP 93 3HE TRP 93 -1.230 -0.518 -3.213 707 HZ2 TRP 93 2HZ TRP 93 -4.291 -4.015 -1.214 708 HZ3 TRP 93 3HZ TRP 93 -1.176 -2.897 -3.956 709 HH2 TRP 93 HH TRP 93 -2.635 -4.618 -3.018 710 H ASN 94 H ASN 94 -5.568 2.954 -3.421 711 HA ASN 94 HA ASN 94 -7.668 3.025 -2.807 712 HB2 ASN 94 1HB ASN 94 -6.587 1.676 -0.593 713 HB3 ASN 94 2HB ASN 94 -7.379 3.052 0.149 714 HD21 ASN 94 1HD2 ASN 94 -8.190 0.438 0.543 715 HD22 ASN 94 2HD2 ASN 94 -9.762 0.186 -0.140 716 H GLY 95 H GLY 95 -5.490 5.242 -2.686 717 HA2 GLY 95 1HA GLY 95 -6.050 7.539 -2.698 718 HA3 GLY 95 2HA GLY 95 -7.185 7.273 -1.390 719 H ARG 96 H ARG 96 -4.779 5.319 -0.394 720 HA ARG 96 HA ARG 96 -3.736 7.372 1.305 721 HB2 ARG 96 1HB ARG 96 -3.594 4.338 1.246 722 HB3 ARG 96 2HB ARG 96 -2.485 5.232 2.267 723 HG2 ARG 96 1HG ARG 96 -5.265 6.197 2.523 724 HG3 ARG 96 2HG ARG 96 -5.113 4.499 2.927 725 HD2 ARG 96 1HD ARG 96 -2.973 5.357 4.306 726 HD3 ARG 96 2HD ARG 96 -3.826 6.887 4.257 727 HE ARG 96 HE ARG 96 -4.653 4.462 5.709 728 HH11 ARG 96 2HH2 ARG 96 -5.645 7.598 4.457 729 HH12 ARG 96 1HH2 ARG 96 -6.993 7.745 5.535 730 HH21 ARG 96 2HH1 ARG 96 -6.431 4.655 7.131 731 HH22 ARG 96 1HH1 ARG 96 -7.443 6.059 7.066 732 H LEU 97 H LEU 97 -1.938 8.519 0.664 733 HA LEU 97 HA LEU 97 -0.308 7.654 -1.462 734 HB2 LEU 97 1HB LEU 97 -0.736 9.991 -0.954 735 HB3 LEU 97 2HB LEU 97 0.065 9.833 0.596 736 HG LEU 97 HG LEU 97 1.954 8.968 -1.308 737 HD11 LEU 97 1HD1 LEU 97 2.125 10.870 -2.845 738 HD12 LEU 97 2HD1 LEU 97 0.610 9.967 -3.081 739 HD13 LEU 97 3HD1 LEU 97 0.594 11.521 -2.213 740 HD21 LEU 97 1HD2 LEU 97 1.861 11.711 -0.049 741 HD22 LEU 97 2HD2 LEU 97 2.223 10.236 0.879 742 HD23 LEU 97 3HD2 LEU 97 3.282 10.723 -0.466 743 H LEU 98 H LEU 98 1.549 6.460 -1.516 744 HA LEU 98 HA LEU 98 2.398 5.356 1.045 745 HB2 LEU 98 1HB LEU 98 3.139 4.479 -1.746 746 HB3 LEU 98 2HB LEU 98 3.441 3.620 -0.249 747 HG LEU 98 HG LEU 98 0.787 4.082 -1.619 748 HD11 LEU 98 1HD1 LEU 98 1.912 1.440 -0.730 749 HD12 LEU 98 2HD1 LEU 98 0.725 1.798 -2.006 750 HD13 LEU 98 3HD1 LEU 98 2.443 2.189 -2.255 751 HD21 LEU 98 1HD2 LEU 98 1.340 3.644 1.231 752 HD22 LEU 98 2HD2 LEU 98 -0.136 4.213 0.414 753 HD23 LEU 98 3HD2 LEU 98 0.206 2.469 0.521 754 H GLN 99 H GLN 99 3.297 7.644 -1.441 755 HA GLN 99 HA GLN 99 6.021 7.543 -1.275 756 HB2 GLN 99 1HB GLN 99 3.980 9.572 -2.035 757 HB3 GLN 99 2HB GLN 99 5.543 10.237 -1.601 758 HG2 GLN 99 1HG GLN 99 6.516 8.367 -3.189 759 HG3 GLN 99 2HG GLN 99 4.883 8.271 -3.818 760 HE21 GLN 99 1HE2 GLN 99 6.681 8.944 -5.577 761 HE22 GLN 99 2HE2 GLN 99 6.663 10.628 -5.983 762 H GLY 100 H GLY 100 7.379 7.735 0.448 763 HA2 GLY 100 1HA GLY 100 8.334 8.913 2.198 764 HA3 GLY 100 2HA GLY 100 6.850 9.816 2.430 765 H ALA 101 H ALA 101 5.136 7.322 2.295 766 HA ALA 101 HA ALA 101 4.959 6.804 4.999 767 HB1 ALA 101 1HB ALA 101 3.511 4.911 4.274 768 HB2 ALA 101 2HB ALA 101 3.146 6.419 3.400 769 HB3 ALA 101 3HB ALA 101 4.089 5.135 2.605 770 H THR 102 H THR 102 5.772 5.215 6.382 771 HA THR 102 HA THR 102 8.253 4.038 5.547 772 HB THR 102 HB THR 102 8.511 3.622 7.883 773 HG1 THR 102 1HG THR 102 6.611 3.217 9.151 774 HG21 THR 102 1HG2 THR 102 6.363 5.733 8.177 775 HG22 THR 102 2HG2 THR 102 7.960 5.641 8.958 776 HG23 THR 102 3HG2 THR 102 7.830 6.145 7.256 777 H PHE 103 H PHE 103 8.679 1.653 6.225 778 HA PHE 103 HA PHE 103 7.360 0.040 4.470 779 HB2 PHE 103 1HB PHE 103 9.527 -0.437 5.644 780 HB3 PHE 103 2HB PHE 103 8.693 -0.536 7.183 781 HD1 PHE 103 2HD PHE 103 7.240 -2.471 7.683 782 HD2 PHE 103 1HD PHE 103 9.534 -2.287 4.117 783 HE1 PHE 103 2HE PHE 103 6.929 -4.940 7.356 784 HE2 PHE 103 1HE PHE 103 9.223 -4.756 3.790 785 HZ PHE 103 HZ PHE 103 7.925 -6.053 5.414 786 H GLU 104 H GLU 104 6.640 0.620 7.961 787 HA GLU 104 HA GLU 104 4.637 -1.340 8.055 788 HB2 GLU 104 1HB GLU 104 5.305 1.041 9.827 789 HB3 GLU 104 2HB GLU 104 3.984 -0.050 10.195 790 HG2 GLU 104 1HG GLU 104 5.743 -1.967 9.952 791 HG3 GLU 104 2HG GLU 104 6.951 -0.701 10.032 792 H GLU 105 H GLU 105 4.567 2.279 7.769 793 HA GLU 105 HA GLU 105 1.920 2.687 7.785 794 HB2 GLU 105 1HB GLU 105 4.174 3.994 6.255 795 HB3 GLU 105 2HB GLU 105 2.531 4.534 5.972 796 HG2 GLU 105 1HG GLU 105 2.412 4.612 8.636 797 HG3 GLU 105 2HG GLU 105 4.159 4.675 8.519 798 H VAL 106 H VAL 106 3.923 1.704 4.928 799 HA VAL 106 HA VAL 106 1.857 1.710 3.072 800 HB VAL 106 HB VAL 106 4.401 0.090 3.263 801 HG11 VAL 106 1HG1 VAL 106 2.370 -0.641 1.663 802 HG12 VAL 106 2HG1 VAL 106 3.112 0.601 0.624 803 HG13 VAL 106 3HG1 VAL 106 4.078 -0.786 1.183 804 HG21 VAL 106 1HG2 VAL 106 5.083 2.301 3.115 805 HG22 VAL 106 2HG2 VAL 106 5.005 1.830 1.401 806 HG23 VAL 106 3HG2 VAL 106 3.685 2.780 2.124 807 H TYR 107 H TYR 107 3.081 -0.889 5.270 808 HA TYR 107 HA TYR 107 1.336 -2.870 4.317 809 HB2 TYR 107 1HB TYR 107 3.408 -3.229 5.689 810 HB3 TYR 107 2HB TYR 107 2.734 -2.279 6.999 811 HD1 TYR 107 2HD TYR 107 0.663 -3.181 8.213 812 HD2 TYR 107 1HD TYR 107 3.030 -5.561 5.561 813 HE1 TYR 107 2HE TYR 107 -0.294 -5.298 9.247 814 HE2 TYR 107 1HE TYR 107 2.065 -7.670 6.603 815 HH TYR 107 HH TYR 107 -0.410 -7.456 9.140 816 H ASN 108 H ASN 108 1.168 -0.772 7.286 817 HA ASN 108 HA ASN 108 -1.081 -1.651 8.365 818 HB2 ASN 108 1HB ASN 108 0.038 1.144 8.017 819 HB3 ASN 108 2HB ASN 108 -1.537 0.975 8.766 820 HD21 ASN 108 1HD2 ASN 108 0.453 2.053 10.195 821 HD22 ASN 108 2HD2 ASN 108 1.006 0.993 11.448 822 H ILE 109 H ILE 109 -0.734 0.501 5.487 823 HA ILE 109 HA ILE 109 -3.397 1.204 5.176 824 HB ILE 109 HB ILE 109 -1.132 0.881 3.215 825 HG12 ILE 109 1HG1 ILE 109 -2.356 3.465 4.150 826 HG13 ILE 109 2HG1 ILE 109 -1.182 2.637 5.153 827 HG21 ILE 109 1HG2 ILE 109 -3.882 1.034 2.586 828 HG22 ILE 109 2HG2 ILE 109 -3.191 2.642 2.263 829 HG23 ILE 109 3HG2 ILE 109 -2.489 1.200 1.491 830 HD11 ILE 109 1HD1 ILE 109 0.427 3.643 3.909 831 HD12 ILE 109 2HD1 ILE 109 -0.040 2.556 2.579 832 HD13 ILE 109 3HD1 ILE 109 -0.761 4.179 2.697 833 H ILE 110 H ILE 110 -1.680 -1.228 3.100 834 HA ILE 110 HA ILE 110 -3.896 -2.393 2.056 835 HB ILE 110 HB ILE 110 -1.223 -3.592 2.770 836 HG12 ILE 110 1HG1 ILE 110 -1.915 -3.074 -0.041 837 HG13 ILE 110 2HG1 ILE 110 -1.861 -1.626 0.943 838 HG21 ILE 110 1HG2 ILE 110 -1.688 -5.496 1.511 839 HG22 ILE 110 2HG2 ILE 110 -3.173 -5.250 2.461 840 HG23 ILE 110 3HG2 ILE 110 -3.121 -4.766 0.749 841 HD11 ILE 110 1HD1 ILE 110 0.361 -3.696 1.084 842 HD12 ILE 110 2HD1 ILE 110 0.358 -2.411 -0.148 843 HD13 ILE 110 3HD1 ILE 110 0.408 -1.987 1.580 844 H LEU 111 H LEU 111 -2.279 -3.148 5.196 845 HA LEU 111 HA LEU 111 -3.917 -5.312 5.843 846 HB2 LEU 111 1HB LEU 111 -1.822 -4.943 6.932 847 HB3 LEU 111 2HB LEU 111 -2.332 -3.374 7.524 848 HG LEU 111 HG LEU 111 -2.286 -5.403 9.137 849 HD11 LEU 111 1HD1 LEU 111 -3.430 -3.008 9.300 850 HD12 LEU 111 2HD1 LEU 111 -4.909 -3.998 9.320 851 HD13 LEU 111 3HD1 LEU 111 -3.650 -4.254 10.552 852 HD21 LEU 111 1HD2 LEU 111 -3.923 -6.981 9.093 853 HD22 LEU 111 2HD2 LEU 111 -5.106 -5.902 8.315 854 HD23 LEU 111 3HD2 LEU 111 -3.813 -6.651 7.347 855 H GLU 112 H GLU 112 -4.328 -1.776 6.156 856 HA GLU 112 HA GLU 112 -6.630 -2.056 7.788 857 HB2 GLU 112 1HB GLU 112 -5.313 0.261 6.337 858 HB3 GLU 112 2HB GLU 112 -6.867 0.465 7.122 859 HG2 GLU 112 1HG GLU 112 -5.052 -0.937 8.919 860 HG3 GLU 112 2HG GLU 112 -4.280 0.524 8.335 861 H SER 113 H SER 113 -5.909 -1.741 4.305 862 HA SER 113 HA SER 113 -8.722 -1.467 3.733 863 HB2 SER 113 1HB SER 113 -6.249 -1.492 1.950 864 HB3 SER 113 2HB SER 113 -7.881 -1.349 1.328 865 HG SER 113 HG SER 113 -6.280 0.603 2.343 866 H LYS 114 H LYS 114 -7.518 -3.950 4.980 867 HA LYS 114 HA LYS 114 -7.403 -5.928 2.947 868 HB2 LYS 114 1HB LYS 114 -7.163 -5.782 5.881 869 HB3 LYS 114 2HB LYS 114 -7.871 -7.275 5.299 870 HG2 LYS 114 1HG LYS 114 -5.921 -7.386 3.605 871 HG3 LYS 114 2HG LYS 114 -5.183 -6.076 4.506 872 HD2 LYS 114 1HD LYS 114 -4.243 -8.057 5.448 873 HD3 LYS 114 2HD LYS 114 -5.446 -7.542 6.613 874 HE2 LYS 114 1HE LYS 114 -7.055 -9.128 5.165 875 HE3 LYS 114 2HE LYS 114 -5.541 -9.873 4.693 876 HZ1 LYS 114 1HZ LYS 114 -5.795 -9.370 7.501 877 HZ2 LYS 114 2HZ LYS 114 -6.861 -10.459 6.914 878 HZ3 LYS 114 3HZ LYS 114 -5.257 -10.703 6.725 879 HA PRO 115 HA PRO 115 -11.847 -6.685 4.366 880 HB2 PRO 115 1HB PRO 115 -13.093 -4.887 6.005 881 HB3 PRO 115 2HB PRO 115 -12.315 -6.343 6.594 882 HG2 PRO 115 1HG PRO 115 -11.374 -3.544 6.751 883 HG3 PRO 115 2HG PRO 115 -10.848 -4.933 7.681 884 HD2 PRO 115 1HD PRO 115 -9.460 -3.709 5.489 885 HD3 PRO 115 2HD PRO 115 -8.992 -5.166 6.343 886 H GLU 116 H GLU 116 -10.754 -3.554 3.559 887 HA GLU 116 HA GLU 116 -12.934 -2.308 2.682 888 HB2 GLU 116 1HB GLU 116 -10.090 -2.373 1.898 889 HB3 GLU 116 2HB GLU 116 -11.135 -1.857 0.589 890 HG2 GLU 116 1HG GLU 116 -11.708 -0.656 3.276 891 HG3 GLU 116 2HG GLU 116 -10.203 -0.168 2.523 892 HA PRO 117 HA PRO 117 -14.654 -4.753 -0.471 893 HB2 PRO 117 1HB PRO 117 -16.319 -2.932 -1.646 894 HB3 PRO 117 2HB PRO 117 -16.727 -3.795 -0.176 895 HG2 PRO 117 1HG PRO 117 -15.891 -0.978 -0.499 896 HG3 PRO 117 2HG PRO 117 -16.698 -1.735 0.860 897 HD2 PRO 117 1HD PRO 117 -13.925 -1.021 0.692 898 HD3 PRO 117 2HD PRO 117 -14.708 -1.881 2.002 899 H GLN 118 H GLN 118 -13.137 -1.743 -1.297 900 HA GLN 118 HA GLN 118 -12.216 -3.070 -3.701 901 HB2 GLN 118 1HB GLN 118 -12.693 -1.143 -5.114 902 HB3 GLN 118 2HB GLN 118 -14.179 -1.658 -4.343 903 HG2 GLN 118 1HG GLN 118 -13.405 0.120 -2.470 904 HG3 GLN 118 2HG GLN 118 -12.521 0.805 -3.819 905 HE21 GLN 118 1HE2 GLN 118 -13.900 0.771 -5.941 906 HE22 GLN 118 2HE2 GLN 118 -15.481 1.465 -5.811 907 H VAL 119 H VAL 119 -10.248 -1.965 -4.644 908 HA VAL 119 HA VAL 119 -8.911 -0.217 -2.723 909 HB VAL 119 HB VAL 119 -7.648 -2.696 -3.904 910 HG11 VAL 119 1HG1 VAL 119 -5.705 -1.812 -3.263 911 HG12 VAL 119 2HG1 VAL 119 -6.550 -0.337 -2.735 912 HG13 VAL 119 3HG1 VAL 119 -6.303 -1.679 -1.592 913 HG21 VAL 119 1HG2 VAL 119 -8.415 -2.303 -1.002 914 HG22 VAL 119 2HG2 VAL 119 -9.480 -3.113 -2.177 915 HG23 VAL 119 3HG2 VAL 119 -7.874 -3.791 -1.816 916 H GLU 120 H GLU 120 -8.477 1.598 -3.860 917 HA GLU 120 HA GLU 120 -8.021 1.287 -6.702 918 HB2 GLU 120 1HB GLU 120 -9.720 2.935 -5.977 919 HB3 GLU 120 2HB GLU 120 -8.525 3.774 -5.008 920 HG2 GLU 120 1HG GLU 120 -7.198 3.836 -7.358 921 HG3 GLU 120 2HG GLU 120 -8.819 3.682 -8.006 922 H LEU 121 H LEU 121 -5.905 0.877 -7.214 923 HA LEU 121 HA LEU 121 -3.825 1.994 -5.542 924 HB2 LEU 121 1HB LEU 121 -3.730 0.148 -7.932 925 HB3 LEU 121 2HB LEU 121 -2.340 0.644 -6.987 926 HG LEU 121 HG LEU 121 -4.494 -1.304 -6.341 927 HD11 LEU 121 1HD1 LEU 121 -2.150 -1.897 -7.046 928 HD12 LEU 121 2HD1 LEU 121 -1.592 -1.233 -5.491 929 HD13 LEU 121 3HD1 LEU 121 -2.699 -2.627 -5.518 930 HD21 LEU 121 1HD2 LEU 121 -3.200 0.463 -4.255 931 HD22 LEU 121 2HD2 LEU 121 -4.934 0.209 -4.562 932 HD23 LEU 121 3HD2 LEU 121 -3.947 -1.111 -3.890 933 H VAL 122 H VAL 122 -1.932 3.118 -6.596 934 HA VAL 122 HA VAL 122 -2.602 4.498 -9.055 935 HB VAL 122 HB VAL 122 -2.003 6.002 -6.501 936 HG11 VAL 122 1HG1 VAL 122 -2.691 6.933 -9.308 937 HG12 VAL 122 2HG1 VAL 122 -2.613 7.991 -7.879 938 HG13 VAL 122 3HG1 VAL 122 -1.148 7.154 -8.448 939 HG21 VAL 122 1HG2 VAL 122 -4.262 4.989 -6.459 940 HG22 VAL 122 2HG2 VAL 122 -4.316 6.766 -6.546 941 HG23 VAL 122 3HG2 VAL 122 -4.636 5.794 -8.002 942 H VAL 123 H VAL 123 -0.845 3.786 -10.192 943 HA VAL 123 HA VAL 123 1.755 4.035 -8.850 944 HB VAL 123 HB VAL 123 1.459 1.803 -9.429 945 HG11 VAL 123 1HG1 VAL 123 0.195 2.813 -11.987 946 HG12 VAL 123 2HG1 VAL 123 0.713 1.123 -11.778 947 HG13 VAL 123 3HG1 VAL 123 -0.532 1.811 -10.708 948 HG21 VAL 123 1HG2 VAL 123 3.126 1.346 -11.075 949 HG22 VAL 123 2HG2 VAL 123 2.840 2.900 -11.895 950 HG23 VAL 123 3HG2 VAL 123 3.591 2.870 -10.281 951 H SER 124 H SER 124 3.580 4.788 -10.239 952 HA SER 124 HA SER 124 2.577 6.587 -12.305 953 HB2 SER 124 1HB SER 124 3.230 8.225 -10.852 954 HB3 SER 124 2HB SER 124 4.229 7.136 -9.911 955 HG SER 124 HG SER 124 4.906 8.735 -12.157 956 H ARG 125 H ARG 125 3.628 6.440 -14.284 957 HA ARG 125 HA ARG 125 5.983 4.729 -14.283 958 HB2 ARG 125 1HB ARG 125 3.547 4.583 -15.780 959 HB3 ARG 125 2HB ARG 125 4.783 5.070 -16.924 960 HG2 ARG 125 1HG ARG 125 6.123 3.127 -16.483 961 HG3 ARG 125 2HG ARG 125 5.262 2.763 -15.001 962 HD2 ARG 125 1HD ARG 125 3.183 2.692 -16.810 963 HD3 ARG 125 2HD ARG 125 4.506 2.162 -17.829 964 HE ARG 125 HE ARG 125 4.468 0.809 -15.236 965 HH11 ARG 125 2HH2 ARG 125 3.168 0.777 -18.506 966 HH12 ARG 125 1HH2 ARG 125 2.796 -0.914 -18.479 967 HH21 ARG 125 2HH1 ARG 125 3.977 -1.423 -15.200 968 HH22 ARG 125 1HH1 ARG 125 3.259 -2.174 -16.586 969 H SER 126 H SER 126 7.593 5.237 -16.110 970 HA SER 126 HA SER 126 7.714 8.130 -16.399 971 HB2 SER 126 1HB SER 126 10.056 7.985 -16.339 972 HB3 SER 126 2HB SER 126 9.578 6.732 -15.212 973 HG SER 126 HG SER 126 9.632 5.362 -17.381 974 H GLY 127 H GLY 127 7.150 8.889 -18.403 975 HA2 GLY 127 1HA GLY 127 7.307 7.045 -20.683 976 HA3 GLY 127 2HA GLY 127 6.364 8.518 -20.577 977 HA PRO 128 HA PRO 128 10.138 9.577 -22.851 978 HB2 PRO 128 1HB PRO 128 8.940 10.687 -25.043 979 HB3 PRO 128 2HB PRO 128 9.449 9.011 -24.974 980 HG2 PRO 128 1HG PRO 128 6.718 10.127 -24.794 981 HG3 PRO 128 2HG PRO 128 7.211 8.484 -25.152 982 HD2 PRO 128 1HD PRO 128 6.168 9.460 -22.664 983 HD3 PRO 128 2HD PRO 128 6.769 7.846 -22.987 984 H SER 129 H SER 129 11.101 11.666 -23.487 985 HA SER 129 HA SER 129 9.510 13.868 -22.516 986 HB2 SER 129 1HB SER 129 11.473 14.686 -21.125 987 HB3 SER 129 2HB SER 129 10.649 13.278 -20.486 988 HG SER 129 HG SER 129 13.157 13.348 -20.686 989 H SER 130 H SER 130 9.499 14.513 -24.769 990 HA SER 130 HA SER 130 11.663 14.602 -26.400 991 HB2 SER 130 1HB SER 130 10.409 16.198 -27.739 992 HB3 SER 130 2HB SER 130 9.282 15.045 -27.053 993 HG SER 130 HG SER 130 8.566 16.570 -25.558 994 H GLY 131 H GLY 131 13.100 16.390 -27.077 995 HA2 GLY 131 1HA GLY 131 13.258 18.792 -25.539 996 HA3 GLY 131 2HA GLY 131 14.463 17.624 -25.034 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -24.396 21.434 -15.014 2 HA2 GLY 1 1HA GLY 1 -23.054 22.962 -14.050 3 HA3 GLY 1 2HA GLY 1 -23.260 23.984 -15.458 4 H SER 2 H SER 2 -25.143 22.827 -12.569 5 HA SER 2 HA SER 2 -25.737 25.540 -11.933 6 HB2 SER 2 1HB SER 2 -28.225 25.188 -11.914 7 HB3 SER 2 2HB SER 2 -27.534 25.187 -13.524 8 HG SER 2 HG SER 2 -28.979 23.232 -12.302 9 H SER 3 H SER 3 -25.783 25.708 -9.704 10 HA SER 3 HA SER 3 -25.136 23.631 -8.112 11 HB2 SER 3 1HB SER 3 -25.789 25.058 -6.221 12 HB3 SER 3 2HB SER 3 -25.007 26.020 -7.459 13 HG SER 3 HG SER 3 -27.131 26.808 -6.439 14 H GLY 4 H GLY 4 -26.245 22.054 -6.893 15 HA2 GLY 4 1HA GLY 4 -28.637 21.770 -5.926 16 HA3 GLY 4 2HA GLY 4 -29.067 21.691 -7.623 17 H SER 5 H SER 5 -27.506 20.133 -8.975 18 HA SER 5 HA SER 5 -27.669 17.630 -7.579 19 HB2 SER 5 1HB SER 5 -27.252 18.473 -10.454 20 HB3 SER 5 2HB SER 5 -26.843 16.837 -9.974 21 HG SER 5 HG SER 5 -29.027 16.929 -10.719 22 H SER 6 H SER 6 -25.893 17.975 -6.044 23 HA SER 6 HA SER 6 -23.303 18.478 -7.102 24 HB2 SER 6 1HB SER 6 -24.362 19.024 -4.719 25 HB3 SER 6 2HB SER 6 -23.786 17.419 -4.314 26 HG SER 6 HG SER 6 -21.697 18.055 -4.491 27 H GLY 7 H GLY 7 -22.706 16.777 -8.507 28 HA2 GLY 7 1HA GLY 7 -23.119 14.030 -7.814 29 HA3 GLY 7 2HA GLY 7 -22.215 14.670 -9.172 30 H HIS 8 H HIS 8 -21.873 12.788 -6.493 31 HA HIS 8 HA HIS 8 -19.261 13.851 -5.768 32 HB2 HIS 8 1HB HIS 8 -21.364 12.385 -4.391 33 HB3 HIS 8 2HB HIS 8 -19.815 11.585 -4.213 34 HD1 HIS 8 1HD HIS 8 -18.385 12.433 -2.346 35 HD2 HIS 8 2HD HIS 8 -21.142 15.310 -3.655 36 HE1 HIS 8 1HE HIS 8 -18.125 14.434 -0.785 37 H SER 9 H SER 9 -17.379 12.911 -6.443 38 HA SER 9 HA SER 9 -16.001 11.513 -7.373 39 HB2 SER 9 1HB SER 9 -17.129 9.829 -5.795 40 HB3 SER 9 2HB SER 9 -18.094 9.310 -7.163 41 HG SER 9 HG SER 9 -15.916 9.008 -8.283 42 H HIS 10 H HIS 10 -19.183 10.168 -8.533 43 HA HIS 10 HA HIS 10 -20.075 10.021 -10.532 44 HB2 HIS 10 1HB HIS 10 -18.922 12.587 -10.497 45 HB3 HIS 10 2HB HIS 10 -18.481 11.909 -12.051 46 HD1 HIS 10 1HD HIS 10 -20.408 14.247 -12.059 47 HD2 HIS 10 2HD HIS 10 -21.680 10.257 -11.822 48 HE1 HIS 10 1HE HIS 10 -22.823 14.217 -12.883 49 H SER 11 H SER 11 -19.374 9.709 -13.060 50 HA SER 11 HA SER 11 -18.493 8.157 -14.334 51 HB2 SER 11 1HB SER 11 -16.032 8.451 -14.744 52 HB3 SER 11 2HB SER 11 -16.921 9.961 -14.739 53 HG SER 11 HG SER 11 -15.430 10.565 -13.318 54 H ASP 12 H ASP 12 -19.312 6.482 -12.686 55 HA ASP 12 HA ASP 12 -17.084 5.220 -11.317 56 HB2 ASP 12 1HB ASP 12 -19.077 3.829 -10.318 57 HB3 ASP 12 2HB ASP 12 -18.816 5.467 -9.752 58 H LYS 13 H LYS 13 -16.337 4.376 -13.507 59 HA LYS 13 HA LYS 13 -17.822 1.948 -14.180 60 HB2 LYS 13 1HB LYS 13 -17.011 4.160 -16.057 61 HB3 LYS 13 2HB LYS 13 -17.124 2.507 -16.627 62 HG2 LYS 13 1HG LYS 13 -19.486 2.768 -15.184 63 HG3 LYS 13 2HG LYS 13 -19.287 4.383 -15.834 64 HD2 LYS 13 1HD LYS 13 -20.370 3.437 -17.644 65 HD3 LYS 13 2HD LYS 13 -18.730 3.015 -18.092 66 HE2 LYS 13 1HE LYS 13 -19.787 1.001 -16.268 67 HE3 LYS 13 2HE LYS 13 -20.908 1.235 -17.594 68 HZ1 LYS 13 1HZ LYS 13 -19.492 -0.186 -18.562 69 HZ2 LYS 13 2HZ LYS 13 -18.653 1.169 -18.921 70 HZ3 LYS 13 3HZ LYS 13 -18.204 0.242 -17.654 71 H HIS 14 H HIS 14 -15.210 2.863 -16.262 72 HA HIS 14 HA HIS 14 -13.704 0.683 -15.820 73 HB2 HIS 14 1HB HIS 14 -11.760 2.143 -16.635 74 HB3 HIS 14 2HB HIS 14 -13.158 1.964 -17.677 75 HD1 HIS 14 1HD HIS 14 -12.058 4.447 -14.952 76 HD2 HIS 14 2HD HIS 14 -13.959 4.358 -18.690 77 HE1 HIS 14 1HE HIS 14 -12.549 6.875 -15.562 78 HA PRO 15 HA PRO 15 -12.249 1.357 -11.750 79 HB2 PRO 15 1HB PRO 15 -11.102 -1.097 -11.388 80 HB3 PRO 15 2HB PRO 15 -12.801 -0.780 -11.093 81 HG2 PRO 15 1HG PRO 15 -11.548 -2.205 -13.360 82 HG3 PRO 15 2HG PRO 15 -13.217 -2.242 -12.827 83 HD2 PRO 15 1HD PRO 15 -12.166 -0.812 -15.081 84 HD3 PRO 15 2HD PRO 15 -13.811 -0.758 -14.480 85 H VAL 16 H VAL 16 -10.268 0.166 -14.359 86 HA VAL 16 HA VAL 16 -7.972 1.404 -13.014 87 HB VAL 16 HB VAL 16 -6.601 -0.124 -14.046 88 HG11 VAL 16 1HG1 VAL 16 -8.060 -1.253 -12.420 89 HG12 VAL 16 2HG1 VAL 16 -9.209 -1.647 -13.721 90 HG13 VAL 16 3HG1 VAL 16 -7.575 -2.353 -13.733 91 HG21 VAL 16 1HG2 VAL 16 -8.785 -0.700 -16.077 92 HG22 VAL 16 2HG2 VAL 16 -7.333 0.293 -16.349 93 HG23 VAL 16 3HG2 VAL 16 -7.172 -1.452 -16.035 94 H THR 17 H THR 17 -6.707 2.946 -14.122 95 HA THR 17 HA THR 17 -7.492 3.670 -16.818 96 HB THR 17 HB THR 17 -7.611 6.153 -15.685 97 HG1 THR 17 1HG THR 17 -8.659 4.129 -13.832 98 HG21 THR 17 1HG2 THR 17 -9.449 5.163 -17.068 99 HG22 THR 17 2HG2 THR 17 -9.921 4.138 -15.692 100 HG23 THR 17 3HG2 THR 17 -10.096 5.906 -15.587 101 H TRP 18 H TRP 18 -5.736 4.137 -17.987 102 HA TRP 18 HA TRP 18 -3.325 4.860 -16.465 103 HB2 TRP 18 1HB TRP 18 -3.660 3.232 -18.984 104 HB3 TRP 18 2HB TRP 18 -2.119 3.887 -18.466 105 HD1 TRP 18 HD TRP 18 -4.689 1.196 -17.460 106 HE1 TRP 18 1HE TRP 18 -3.646 -0.537 -15.766 107 HE3 TRP 18 3HE TRP 18 -0.341 3.729 -16.731 108 HZ2 TRP 18 2HZ TRP 18 -1.176 -0.652 -14.342 109 HZ3 TRP 18 3HZ TRP 18 1.333 2.737 -15.173 110 HH2 TRP 18 HH TRP 18 0.972 0.625 -13.998 111 H GLN 19 H GLN 19 -3.036 7.048 -16.641 112 HA GLN 19 HA GLN 19 -3.269 8.139 -19.321 113 HB2 GLN 19 1HB GLN 19 -4.185 9.832 -17.001 114 HB3 GLN 19 2HB GLN 19 -4.628 9.942 -18.693 115 HG2 GLN 19 1HG GLN 19 -6.565 8.951 -17.913 116 HG3 GLN 19 2HG GLN 19 -5.646 7.490 -18.216 117 HE21 GLN 19 1HE2 GLN 19 -7.642 8.811 -16.109 118 HE22 GLN 19 2HE2 GLN 19 -7.094 8.159 -14.601 119 HA PRO 20 HA PRO 20 0.504 9.987 -18.232 120 HB2 PRO 20 1HB PRO 20 0.644 12.053 -20.016 121 HB3 PRO 20 2HB PRO 20 1.032 10.396 -20.436 122 HG2 PRO 20 1HG PRO 20 -1.379 11.965 -21.116 123 HG3 PRO 20 2HG PRO 20 -0.781 10.495 -21.858 124 HD2 PRO 20 1HD PRO 20 -2.971 10.721 -20.020 125 HD3 PRO 20 2HD PRO 20 -2.299 9.240 -20.672 126 H SER 21 H SER 21 1.646 11.760 -17.230 127 HA SER 21 HA SER 21 -0.174 13.094 -15.517 128 HB2 SER 21 1HB SER 21 2.553 12.358 -15.451 129 HB3 SER 21 2HB SER 21 2.575 14.110 -15.446 130 HG SER 21 HG SER 21 0.748 12.759 -13.704 131 H LYS 22 H LYS 22 0.415 15.618 -15.092 132 HA LYS 22 HA LYS 22 -0.630 17.074 -17.110 133 HB2 LYS 22 1HB LYS 22 0.945 17.634 -14.684 134 HB3 LYS 22 2HB LYS 22 1.049 18.889 -15.902 135 HG2 LYS 22 1HG LYS 22 -1.080 19.575 -15.502 136 HG3 LYS 22 2HG LYS 22 -1.708 17.948 -15.670 137 HD2 LYS 22 1HD LYS 22 -1.724 17.575 -13.403 138 HD3 LYS 22 2HD LYS 22 -0.187 18.378 -13.155 139 HE2 LYS 22 1HE LYS 22 -1.852 19.728 -12.043 140 HE3 LYS 22 2HE LYS 22 -1.379 20.609 -13.482 141 HZ1 LYS 22 1HZ LYS 22 -3.879 20.065 -12.866 142 HZ2 LYS 22 2HZ LYS 22 -3.376 20.293 -14.402 143 HZ3 LYS 22 3HZ LYS 22 -3.568 18.778 -13.822 144 H ASP 23 H ASP 23 2.918 16.644 -16.453 145 HA ASP 23 HA ASP 23 3.727 18.068 -18.668 146 HB2 ASP 23 1HB ASP 23 5.000 16.944 -16.571 147 HB3 ASP 23 2HB ASP 23 5.310 15.673 -17.738 148 H GLY 24 H GLY 24 3.475 14.469 -18.109 149 HA2 GLY 24 1HA GLY 24 2.300 13.217 -19.869 150 HA3 GLY 24 2HA GLY 24 3.243 14.117 -21.039 151 H ASP 25 H ASP 25 5.766 14.131 -19.519 152 HA ASP 25 HA ASP 25 6.959 11.953 -20.537 153 HB2 ASP 25 1HB ASP 25 7.554 13.865 -18.323 154 HB3 ASP 25 2HB ASP 25 8.469 12.372 -18.262 155 H ARG 26 H ARG 26 5.199 12.349 -17.440 156 HA ARG 26 HA ARG 26 5.958 9.680 -16.650 157 HB2 ARG 26 1HB ARG 26 4.679 12.052 -15.282 158 HB3 ARG 26 2HB ARG 26 4.354 10.460 -14.624 159 HG2 ARG 26 1HG ARG 26 7.175 11.485 -15.181 160 HG3 ARG 26 2HG ARG 26 6.380 11.670 -13.630 161 HD2 ARG 26 1HD ARG 26 6.656 9.456 -13.074 162 HD3 ARG 26 2HD ARG 26 6.268 8.896 -14.689 163 HE ARG 26 HE ARG 26 8.550 8.824 -15.161 164 HH11 ARG 26 2HH2 ARG 26 8.030 11.039 -12.477 165 HH12 ARG 26 1HH2 ARG 26 9.719 11.313 -12.209 166 HH21 ARG 26 2HH1 ARG 26 10.778 9.186 -14.808 167 HH22 ARG 26 1HH1 ARG 26 11.293 10.252 -13.544 168 H LEU 27 H LEU 27 4.294 8.051 -16.104 169 HA LEU 27 HA LEU 27 1.738 8.590 -17.451 170 HB2 LEU 27 1HB LEU 27 3.646 6.835 -18.297 171 HB3 LEU 27 2HB LEU 27 2.659 5.797 -17.287 172 HG LEU 27 HG LEU 27 1.498 5.480 -19.184 173 HD11 LEU 27 1HD1 LEU 27 0.239 8.172 -19.037 174 HD12 LEU 27 2HD1 LEU 27 -0.500 6.554 -19.114 175 HD13 LEU 27 3HD1 LEU 27 0.172 7.153 -17.578 176 HD21 LEU 27 1HD2 LEU 27 1.387 7.428 -20.969 177 HD22 LEU 27 2HD2 LEU 27 2.832 7.994 -20.096 178 HD23 LEU 27 3HD2 LEU 27 2.813 6.371 -20.828 179 H ILE 28 H ILE 28 0.113 8.731 -16.009 180 HA ILE 28 HA ILE 28 0.481 7.478 -13.417 181 HB ILE 28 HB ILE 28 -1.762 9.257 -14.368 182 HG12 ILE 28 1HG1 ILE 28 0.176 10.554 -14.739 183 HG13 ILE 28 2HG1 ILE 28 -0.467 11.083 -13.197 184 HG21 ILE 28 1HG2 ILE 28 -0.903 9.255 -11.545 185 HG22 ILE 28 2HG2 ILE 28 -2.533 9.267 -12.258 186 HG23 ILE 28 3HG2 ILE 28 -1.635 7.737 -12.117 187 HD11 ILE 28 1HD1 ILE 28 2.023 10.747 -13.162 188 HD12 ILE 28 2HD1 ILE 28 1.173 9.727 -11.976 189 HD13 ILE 28 3HD1 ILE 28 1.762 9.019 -13.500 190 H GLY 29 H GLY 29 -0.230 5.457 -13.034 191 HA2 GLY 29 1HA GLY 29 -2.430 4.451 -14.736 192 HA3 GLY 29 2HA GLY 29 -1.135 3.474 -14.073 193 H ARG 30 H ARG 30 -4.232 3.530 -13.754 194 HA ARG 30 HA ARG 30 -4.161 3.565 -10.843 195 HB2 ARG 30 1HB ARG 30 -5.873 5.015 -12.615 196 HB3 ARG 30 2HB ARG 30 -6.872 3.750 -11.925 197 HG2 ARG 30 1HG ARG 30 -5.809 4.486 -9.626 198 HG3 ARG 30 2HG ARG 30 -5.353 5.947 -10.480 199 HD2 ARG 30 1HD ARG 30 -8.207 5.021 -10.764 200 HD3 ARG 30 2HD ARG 30 -7.735 5.701 -9.220 201 HE ARG 30 HE ARG 30 -7.978 7.140 -11.762 202 HH11 ARG 30 2HH2 ARG 30 -6.520 7.169 -8.559 203 HH12 ARG 30 1HH2 ARG 30 -6.299 8.886 -8.536 204 HH21 ARG 30 2HH1 ARG 30 -7.686 9.406 -11.731 205 HH22 ARG 30 1HH1 ARG 30 -6.967 10.167 -10.352 206 H ILE 31 H ILE 31 -5.089 1.749 -9.766 207 HA ILE 31 HA ILE 31 -6.315 -0.280 -11.470 208 HB ILE 31 HB ILE 31 -3.830 -0.583 -9.819 209 HG12 ILE 31 1HG1 ILE 31 -3.486 -2.125 -11.992 210 HG13 ILE 31 2HG1 ILE 31 -4.648 -0.995 -12.656 211 HG21 ILE 31 1HG2 ILE 31 -6.030 -2.547 -10.143 212 HG22 ILE 31 2HG2 ILE 31 -4.377 -3.149 -10.412 213 HG23 ILE 31 3HG2 ILE 31 -4.805 -2.384 -8.862 214 HD11 ILE 31 1HD1 ILE 31 -2.545 0.339 -11.064 215 HD12 ILE 31 2HD1 ILE 31 -1.911 -0.556 -12.465 216 HD13 ILE 31 3HD1 ILE 31 -3.139 0.712 -12.700 217 H LEU 32 H LEU 32 -8.315 -0.525 -10.635 218 HA LEU 32 HA LEU 32 -8.528 -0.434 -7.706 219 HB2 LEU 32 1HB LEU 32 -9.680 1.421 -8.569 220 HB3 LEU 32 2HB LEU 32 -10.380 0.496 -9.883 221 HG LEU 32 HG LEU 32 -12.054 1.052 -8.208 222 HD11 LEU 32 1HD1 LEU 32 -11.845 -1.844 -7.685 223 HD12 LEU 32 2HD1 LEU 32 -13.150 -0.896 -8.438 224 HD13 LEU 32 3HD1 LEU 32 -11.727 -1.370 -9.397 225 HD21 LEU 32 1HD2 LEU 32 -10.578 -0.666 -6.210 226 HD22 LEU 32 2HD2 LEU 32 -10.386 1.102 -6.293 227 HD23 LEU 32 3HD2 LEU 32 -11.982 0.395 -5.944 228 H LEU 33 H LEU 33 -9.499 -2.148 -6.647 229 HA LEU 33 HA LEU 33 -10.464 -4.305 -8.391 230 HB2 LEU 33 1HB LEU 33 -8.759 -4.563 -5.910 231 HB3 LEU 33 2HB LEU 33 -9.486 -5.898 -6.782 232 HG LEU 33 HG LEU 33 -7.296 -5.905 -7.537 233 HD11 LEU 33 1HD1 LEU 33 -8.190 -4.097 -9.717 234 HD12 LEU 33 2HD1 LEU 33 -7.523 -5.745 -9.784 235 HD13 LEU 33 3HD1 LEU 33 -9.230 -5.493 -9.349 236 HD21 LEU 33 1HD2 LEU 33 -6.309 -3.606 -8.431 237 HD22 LEU 33 2HD2 LEU 33 -7.452 -2.942 -7.238 238 HD23 LEU 33 3HD2 LEU 33 -6.192 -4.088 -6.722 239 H ASN 34 H ASN 34 -12.251 -5.517 -7.606 240 HA ASN 34 HA ASN 34 -13.514 -4.252 -5.301 241 HB2 ASN 34 1HB ASN 34 -14.634 -3.849 -7.573 242 HB3 ASN 34 2HB ASN 34 -14.921 -5.574 -7.679 243 HD21 ASN 34 1HD2 ASN 34 -16.701 -6.377 -6.846 244 HD22 ASN 34 2HD2 ASN 34 -17.781 -5.591 -5.744 245 H LYS 35 H LYS 35 -14.611 -5.731 -3.823 246 HA LYS 35 HA LYS 35 -13.945 -8.551 -4.307 247 HB2 LYS 35 1HB LYS 35 -14.234 -7.090 -1.664 248 HB3 LYS 35 2HB LYS 35 -13.867 -8.792 -1.861 249 HG2 LYS 35 1HG LYS 35 -11.714 -8.365 -2.760 250 HG3 LYS 35 2HG LYS 35 -12.128 -6.733 -3.244 251 HD2 LYS 35 1HD LYS 35 -12.266 -6.061 -0.830 252 HD3 LYS 35 2HD LYS 35 -11.827 -7.691 -0.358 253 HE2 LYS 35 1HE LYS 35 -9.619 -7.490 -1.259 254 HE3 LYS 35 2HE LYS 35 -10.048 -6.107 -2.246 255 HZ1 LYS 35 1HZ LYS 35 -9.885 -4.726 -0.497 256 HZ2 LYS 35 2HZ LYS 35 -10.388 -5.819 0.607 257 HZ3 LYS 35 3HZ LYS 35 -8.852 -5.865 0.054 258 H ARG 36 H ARG 36 -16.371 -6.273 -2.881 259 HA ARG 36 HA ARG 36 -18.290 -7.848 -2.098 260 HB2 ARG 36 1HB ARG 36 -18.499 -5.388 -3.885 261 HB3 ARG 36 2HB ARG 36 -19.937 -6.159 -3.244 262 HG2 ARG 36 1HG ARG 36 -19.259 -5.752 -0.957 263 HG3 ARG 36 2HG ARG 36 -17.631 -5.319 -1.439 264 HD2 ARG 36 1HD ARG 36 -18.284 -3.206 -2.267 265 HD3 ARG 36 2HD ARG 36 -19.938 -3.710 -2.553 266 HE ARG 36 HE ARG 36 -19.240 -3.809 0.277 267 HH11 ARG 36 2HH2 ARG 36 -20.284 -1.676 -2.320 268 HH12 ARG 36 1HH2 ARG 36 -21.014 -0.524 -1.252 269 HH21 ARG 36 2HH1 ARG 36 -20.203 -2.290 1.686 270 HH22 ARG 36 1HH1 ARG 36 -20.968 -0.876 1.042 271 H LEU 37 H LEU 37 -19.213 -9.705 -2.906 272 HA LEU 37 HA LEU 37 -18.924 -10.455 -5.594 273 HB2 LEU 37 1HB LEU 37 -20.807 -11.548 -3.500 274 HB3 LEU 37 2HB LEU 37 -20.331 -12.342 -4.988 275 HG LEU 37 HG LEU 37 -18.120 -11.546 -3.168 276 HD11 LEU 37 1HD1 LEU 37 -19.328 -14.116 -2.396 277 HD12 LEU 37 2HD1 LEU 37 -18.592 -12.839 -1.399 278 HD13 LEU 37 3HD1 LEU 37 -20.280 -12.682 -1.942 279 HD21 LEU 37 1HD2 LEU 37 -18.061 -14.276 -4.007 280 HD22 LEU 37 2HD2 LEU 37 -18.518 -13.263 -5.398 281 HD23 LEU 37 3HD2 LEU 37 -17.015 -12.924 -4.506 282 H LYS 38 H LYS 38 -21.393 -11.455 -6.427 283 HA LYS 38 HA LYS 38 -22.495 -9.206 -7.637 284 HB2 LYS 38 1HB LYS 38 -22.622 -11.933 -7.985 285 HB3 LYS 38 2HB LYS 38 -24.245 -11.567 -7.437 286 HG2 LYS 38 1HG LYS 38 -24.756 -10.316 -9.315 287 HG3 LYS 38 2HG LYS 38 -23.131 -9.675 -9.467 288 HD2 LYS 38 1HD LYS 38 -22.317 -11.698 -10.504 289 HD3 LYS 38 2HD LYS 38 -23.750 -12.599 -10.052 290 HE2 LYS 38 1HE LYS 38 -24.856 -11.935 -11.924 291 HE3 LYS 38 2HE LYS 38 -24.515 -10.246 -11.601 292 HZ1 LYS 38 1HZ LYS 38 -23.261 -10.472 -13.413 293 HZ2 LYS 38 2HZ LYS 38 -22.145 -11.102 -12.402 294 HZ3 LYS 38 3HZ LYS 38 -23.102 -12.092 -13.280 295 H ASP 39 H ASP 39 -23.323 -10.973 -4.634 296 HA ASP 39 HA ASP 39 -25.794 -9.822 -4.241 297 HB2 ASP 39 1HB ASP 39 -23.678 -10.759 -2.251 298 HB3 ASP 39 2HB ASP 39 -25.306 -10.318 -1.775 299 H GLY 40 H GLY 40 -22.440 -8.837 -3.293 300 HA2 GLY 40 1HA GLY 40 -21.901 -6.493 -3.354 301 HA3 GLY 40 2HA GLY 40 -23.479 -6.138 -2.680 302 H SER 41 H SER 41 -20.809 -8.471 -1.842 303 HA SER 41 HA SER 41 -20.281 -7.088 0.561 304 HB2 SER 41 1HB SER 41 -21.475 -9.867 0.897 305 HB3 SER 41 2HB SER 41 -21.030 -8.741 2.163 306 HG SER 41 HG SER 41 -22.774 -7.408 1.648 307 H VAL 42 H VAL 42 -18.099 -7.372 0.857 308 HA VAL 42 HA VAL 42 -16.592 -9.049 -0.732 309 HB VAL 42 HB VAL 42 -15.983 -7.830 1.968 310 HG11 VAL 42 1HG1 VAL 42 -13.770 -8.284 0.068 311 HG12 VAL 42 2HG1 VAL 42 -13.841 -8.521 1.831 312 HG13 VAL 42 3HG1 VAL 42 -14.491 -9.767 0.738 313 HG21 VAL 42 1HG2 VAL 42 -14.654 -6.327 0.123 314 HG22 VAL 42 2HG2 VAL 42 -16.117 -6.769 -0.790 315 HG23 VAL 42 3HG2 VAL 42 -16.263 -5.932 0.774 316 HA PRO 43 HA PRO 43 -17.190 -12.888 1.205 317 HB2 PRO 43 1HB PRO 43 -15.384 -14.353 -0.230 318 HB3 PRO 43 2HB PRO 43 -17.004 -14.004 -0.801 319 HG2 PRO 43 1HG PRO 43 -14.439 -12.810 -1.659 320 HG3 PRO 43 2HG PRO 43 -15.986 -12.798 -2.482 321 HD2 PRO 43 1HD PRO 43 -14.798 -10.629 -1.028 322 HD3 PRO 43 2HD PRO 43 -16.393 -10.656 -1.753 323 H ARG 44 H ARG 44 -15.632 -14.865 1.962 324 HA ARG 44 HA ARG 44 -14.612 -14.154 4.255 325 HB2 ARG 44 1HB ARG 44 -13.685 -16.221 2.248 326 HB3 ARG 44 2HB ARG 44 -12.749 -16.015 3.716 327 HG2 ARG 44 1HG ARG 44 -15.733 -16.235 4.024 328 HG3 ARG 44 2HG ARG 44 -14.875 -17.692 3.564 329 HD2 ARG 44 1HD ARG 44 -13.476 -16.274 5.729 330 HD3 ARG 44 2HD ARG 44 -15.130 -16.642 6.177 331 HE ARG 44 HE ARG 44 -13.840 -18.927 4.926 332 HH11 ARG 44 2HH2 ARG 44 -14.121 -17.160 7.956 333 HH12 ARG 44 1HH2 ARG 44 -13.714 -18.526 8.939 334 HH21 ARG 44 2HH1 ARG 44 -13.303 -20.731 6.222 335 HH22 ARG 44 1HH1 ARG 44 -13.246 -20.571 7.946 336 H ASP 45 H ASP 45 -12.859 -13.936 1.097 337 HA ASP 45 HA ASP 45 -11.474 -11.683 1.802 338 HB2 ASP 45 1HB ASP 45 -10.346 -13.487 3.330 339 HB3 ASP 45 2HB ASP 45 -9.632 -14.104 1.854 340 H SER 46 H SER 46 -12.275 -11.406 -0.442 341 HA SER 46 HA SER 46 -11.524 -13.175 -2.467 342 HB2 SER 46 1HB SER 46 -13.345 -11.177 -2.274 343 HB3 SER 46 2HB SER 46 -12.086 -10.300 -3.120 344 HG SER 46 HG SER 46 -12.861 -12.898 -4.060 345 H GLY 47 H GLY 47 -9.146 -13.255 -1.650 346 HA2 GLY 47 1HA GLY 47 -6.972 -12.762 -1.939 347 HA3 GLY 47 2HA GLY 47 -7.444 -12.109 -3.495 348 H ALA 48 H ALA 48 -7.470 -11.243 0.034 349 HA ALA 48 HA ALA 48 -7.881 -8.566 -0.159 350 HB1 ALA 48 1HB ALA 48 -7.698 -9.034 2.040 351 HB2 ALA 48 2HB ALA 48 -6.668 -10.452 1.729 352 HB3 ALA 48 3HB ALA 48 -5.942 -8.831 1.832 353 H MET 49 H MET 49 -4.679 -10.280 -0.326 354 HA MET 49 HA MET 49 -3.164 -8.038 -0.723 355 HB2 MET 49 1HB MET 49 -2.939 -10.967 -1.098 356 HB3 MET 49 2HB MET 49 -1.962 -10.095 -2.262 357 HG2 MET 49 1HG MET 49 -1.580 -8.796 0.271 358 HG3 MET 49 2HG MET 49 -1.456 -10.520 0.565 359 HE1 MET 49 1HE MET 49 0.164 -7.783 0.385 360 HE2 MET 49 2HE MET 49 1.835 -8.282 0.029 361 HE3 MET 49 3HE MET 49 0.859 -7.481 -1.225 362 H LEU 50 H LEU 50 -5.519 -9.459 -2.822 363 HA LEU 50 HA LEU 50 -6.244 -8.857 -4.825 364 HB2 LEU 50 1HB LEU 50 -4.102 -6.730 -4.860 365 HB3 LEU 50 2HB LEU 50 -5.523 -6.815 -5.883 366 HG LEU 50 HG LEU 50 -6.519 -6.855 -3.253 367 HD11 LEU 50 1HD1 LEU 50 -5.526 -5.052 -2.090 368 HD12 LEU 50 2HD1 LEU 50 -4.187 -6.105 -2.605 369 HD13 LEU 50 3HD1 LEU 50 -4.524 -4.597 -3.489 370 HD21 LEU 50 1HD2 LEU 50 -7.805 -5.143 -3.993 371 HD22 LEU 50 2HD2 LEU 50 -6.432 -4.269 -4.715 372 HD23 LEU 50 3HD2 LEU 50 -7.151 -5.657 -5.567 373 H GLY 51 H GLY 51 -3.416 -10.323 -4.067 374 HA2 GLY 51 1HA GLY 51 -2.271 -11.879 -5.269 375 HA3 GLY 51 2HA GLY 51 -3.105 -11.385 -6.729 376 H LEU 52 H LEU 52 -1.273 -9.262 -4.455 377 HA LEU 52 HA LEU 52 0.962 -9.137 -6.265 378 HB2 LEU 52 1HB LEU 52 0.620 -7.167 -7.234 379 HB3 LEU 52 2HB LEU 52 -1.070 -7.502 -6.914 380 HG LEU 52 HG LEU 52 -0.853 -6.188 -4.775 381 HD11 LEU 52 1HD1 LEU 52 1.937 -6.065 -5.688 382 HD12 LEU 52 2HD1 LEU 52 1.254 -4.493 -5.209 383 HD13 LEU 52 3HD1 LEU 52 1.243 -5.855 -4.063 384 HD21 LEU 52 1HD2 LEU 52 -1.842 -5.270 -6.847 385 HD22 LEU 52 2HD2 LEU 52 -1.043 -4.030 -5.850 386 HD23 LEU 52 3HD2 LEU 52 -0.240 -4.650 -7.313 387 H LYS 53 H LYS 53 2.794 -7.980 -5.304 388 HA LYS 53 HA LYS 53 2.451 -7.724 -2.396 389 HB2 LYS 53 1HB LYS 53 4.074 -9.512 -3.796 390 HB3 LYS 53 2HB LYS 53 5.178 -8.245 -3.300 391 HG2 LYS 53 1HG LYS 53 3.438 -8.755 -1.071 392 HG3 LYS 53 2HG LYS 53 3.957 -10.315 -1.678 393 HD2 LYS 53 1HD LYS 53 5.795 -9.915 -0.356 394 HD3 LYS 53 2HD LYS 53 6.350 -9.017 -1.754 395 HE2 LYS 53 1HE LYS 53 6.106 -6.987 -0.710 396 HE3 LYS 53 2HE LYS 53 4.577 -7.433 0.022 397 HZ1 LYS 53 1HZ LYS 53 6.927 -8.769 1.035 398 HZ2 LYS 53 2HZ LYS 53 6.777 -7.184 1.401 399 HZ3 LYS 53 3HZ LYS 53 5.605 -8.237 1.833 400 H VAL 54 H VAL 54 3.660 -6.025 -1.337 401 HA VAL 54 HA VAL 54 4.831 -4.048 -3.127 402 HB VAL 54 HB VAL 54 2.571 -3.510 -1.191 403 HG11 VAL 54 1HG1 VAL 54 4.612 -1.732 -2.419 404 HG12 VAL 54 2HG1 VAL 54 2.929 -1.154 -2.464 405 HG13 VAL 54 3HG1 VAL 54 3.691 -1.555 -0.906 406 HG21 VAL 54 1HG2 VAL 54 2.766 -3.754 -4.157 407 HG22 VAL 54 2HG2 VAL 54 1.425 -4.153 -3.056 408 HG23 VAL 54 3HG2 VAL 54 1.729 -2.459 -3.511 409 H VAL 55 H VAL 55 6.563 -2.957 -2.204 410 HA VAL 55 HA VAL 55 7.057 -3.576 0.626 411 HB VAL 55 HB VAL 55 8.785 -3.864 -1.791 412 HG11 VAL 55 1HG1 VAL 55 10.170 -2.330 -0.690 413 HG12 VAL 55 2HG1 VAL 55 9.723 -2.935 0.923 414 HG13 VAL 55 3HG1 VAL 55 10.772 -3.910 -0.133 415 HG21 VAL 55 1HG2 VAL 55 8.439 -5.436 0.783 416 HG22 VAL 55 2HG2 VAL 55 7.814 -5.862 -0.828 417 HG23 VAL 55 3HG2 VAL 55 9.568 -5.861 -0.525 418 H GLY 56 H GLY 56 6.856 -1.726 1.773 419 HA2 GLY 56 1HA GLY 56 7.487 0.813 0.429 420 HA3 GLY 56 2HA GLY 56 6.503 0.598 1.863 421 H GLY 57 H GLY 57 8.032 2.423 2.598 422 HA2 GLY 57 1HA GLY 57 9.724 3.122 3.900 423 HA3 GLY 57 2HA GLY 57 9.792 1.486 4.526 424 H LYS 58 H LYS 58 10.216 1.740 1.070 425 HA LYS 58 HA LYS 58 12.888 0.777 1.301 426 HB2 LYS 58 1HB LYS 58 11.033 0.225 -0.453 427 HB3 LYS 58 2HB LYS 58 11.597 1.670 -1.268 428 HG2 LYS 58 1HG LYS 58 13.967 0.291 -0.574 429 HG3 LYS 58 2HG LYS 58 12.866 -0.973 -1.083 430 HD2 LYS 58 1HD LYS 58 12.755 1.381 -2.860 431 HD3 LYS 58 2HD LYS 58 14.366 0.696 -2.772 432 HE2 LYS 58 1HE LYS 58 13.545 -1.511 -3.434 433 HE3 LYS 58 2HE LYS 58 11.877 -0.993 -3.294 434 HZ1 LYS 58 1HZ LYS 58 12.703 -0.971 -5.568 435 HZ2 LYS 58 2HZ LYS 58 12.213 0.513 -5.095 436 HZ3 LYS 58 3HZ LYS 58 13.807 0.168 -5.181 437 H MET 59 H MET 59 14.761 1.913 1.332 438 HA MET 59 HA MET 59 14.573 4.739 1.351 439 HB2 MET 59 1HB MET 59 16.474 2.631 2.088 440 HB3 MET 59 2HB MET 59 17.312 3.888 1.200 441 HG2 MET 59 1HG MET 59 15.445 4.519 3.529 442 HG3 MET 59 2HG MET 59 17.151 4.193 3.764 443 HE1 MET 59 1HE MET 59 14.719 6.376 3.743 444 HE2 MET 59 2HE MET 59 15.547 7.951 3.693 445 HE3 MET 59 3HE MET 59 14.716 7.336 2.244 446 H THR 60 H THR 60 14.584 6.030 -0.433 447 HA THR 60 HA THR 60 15.536 4.923 -2.941 448 HB THR 60 HB THR 60 14.473 7.018 -3.835 449 HG1 THR 60 1HG THR 60 14.310 8.614 -2.315 450 HG21 THR 60 1HG2 THR 60 12.580 6.025 -1.682 451 HG22 THR 60 2HG2 THR 60 12.223 6.450 -3.374 452 HG23 THR 60 3HG2 THR 60 13.055 4.922 -2.996 453 H GLU 61 H GLU 61 16.529 7.028 -4.331 454 HA GLU 61 HA GLU 61 19.100 7.231 -3.105 455 HB2 GLU 61 1HB GLU 61 19.843 8.076 -5.253 456 HB3 GLU 61 2HB GLU 61 18.768 6.724 -5.547 457 HG2 GLU 61 1HG GLU 61 16.867 8.484 -5.760 458 HG3 GLU 61 2HG GLU 61 18.136 9.691 -5.820 459 H SER 62 H SER 62 16.208 9.016 -2.999 460 HA SER 62 HA SER 62 17.635 11.522 -2.664 461 HB2 SER 62 1HB SER 62 15.557 12.633 -3.003 462 HB3 SER 62 2HB SER 62 15.562 11.324 -4.167 463 HG SER 62 HG SER 62 13.729 10.686 -3.282 464 H GLY 63 H GLY 63 17.144 8.942 -0.809 465 HA2 GLY 63 1HA GLY 63 17.136 8.638 1.425 466 HA3 GLY 63 2HA GLY 63 17.191 10.376 1.643 467 H ARG 64 H ARG 64 14.629 9.081 -0.400 468 HA ARG 64 HA ARG 64 12.783 9.680 1.764 469 HB2 ARG 64 1HB ARG 64 12.786 10.197 -1.158 470 HB3 ARG 64 2HB ARG 64 11.268 9.533 -0.589 471 HG2 ARG 64 1HG ARG 64 11.169 11.310 1.184 472 HG3 ARG 64 2HG ARG 64 12.669 11.985 0.579 473 HD2 ARG 64 1HD ARG 64 11.523 12.252 -1.700 474 HD3 ARG 64 2HD ARG 64 10.020 11.788 -0.928 475 HE ARG 64 HE ARG 64 11.077 13.850 0.669 476 HH11 ARG 64 2HH2 ARG 64 10.027 13.476 -2.669 477 HH12 ARG 64 1HH2 ARG 64 9.555 15.134 -2.840 478 HH21 ARG 64 2HH1 ARG 64 10.454 16.037 0.443 479 HH22 ARG 64 1HH1 ARG 64 9.799 16.600 -1.058 480 H LEU 65 H LEU 65 10.597 8.365 1.528 481 HA LEU 65 HA LEU 65 11.349 5.583 0.979 482 HB2 LEU 65 1HB LEU 65 9.213 6.656 2.825 483 HB3 LEU 65 2HB LEU 65 9.637 4.972 2.594 484 HG LEU 65 HG LEU 65 11.588 7.032 3.647 485 HD11 LEU 65 1HD1 LEU 65 10.411 5.097 5.546 486 HD12 LEU 65 2HD1 LEU 65 10.855 6.807 5.762 487 HD13 LEU 65 3HD1 LEU 65 9.316 6.379 4.975 488 HD21 LEU 65 1HD2 LEU 65 11.736 4.184 2.985 489 HD22 LEU 65 2HD2 LEU 65 13.031 5.378 3.240 490 HD23 LEU 65 3HD2 LEU 65 12.291 4.558 4.635 491 H CYS 66 H CYS 66 10.088 4.317 -0.383 492 HA CYS 66 HA CYS 66 7.591 5.378 -1.328 493 HB2 CYS 66 1HB CYS 66 10.027 5.270 -3.104 494 HB3 CYS 66 2HB CYS 66 8.424 5.047 -3.775 495 HG CYS 66 HG CYS 66 7.708 7.276 -2.029 496 H ALA 67 H ALA 67 6.281 3.668 -2.193 497 HA ALA 67 HA ALA 67 7.325 1.025 -1.593 498 HB1 ALA 67 1HB ALA 67 5.084 1.927 -0.770 499 HB2 ALA 67 2HB ALA 67 4.523 1.820 -2.456 500 HB3 ALA 67 3HB ALA 67 5.029 0.349 -1.591 501 H PHE 68 H PHE 68 7.057 -0.767 -3.142 502 HA PHE 68 HA PHE 68 6.608 -0.014 -5.889 503 HB2 PHE 68 1HB PHE 68 9.239 -1.229 -4.850 504 HB3 PHE 68 2HB PHE 68 8.881 -0.907 -6.535 505 HD1 PHE 68 1HD PHE 68 8.386 1.571 -7.153 506 HD2 PHE 68 2HD PHE 68 10.339 0.378 -3.580 507 HE1 PHE 68 1HE PHE 68 9.369 3.869 -6.923 508 HE2 PHE 68 2HE PHE 68 11.322 2.676 -3.350 509 HZ PHE 68 HZ PHE 68 10.826 4.394 -5.024 510 H ILE 69 H ILE 69 6.022 -1.791 -7.195 511 HA ILE 69 HA ILE 69 5.122 -4.063 -5.757 512 HB ILE 69 HB ILE 69 5.211 -3.379 -8.694 513 HG12 ILE 69 1HG1 ILE 69 2.886 -3.413 -6.749 514 HG13 ILE 69 2HG1 ILE 69 3.777 -1.972 -7.196 515 HG21 ILE 69 1HG2 ILE 69 4.303 -5.356 -9.272 516 HG22 ILE 69 2HG2 ILE 69 5.101 -5.930 -7.788 517 HG23 ILE 69 3HG2 ILE 69 3.374 -5.498 -7.760 518 HD11 ILE 69 1HD1 ILE 69 2.674 -3.729 -9.393 519 HD12 ILE 69 2HD1 ILE 69 1.574 -2.640 -8.514 520 HD13 ILE 69 3HD1 ILE 69 2.970 -1.974 -9.396 521 H THR 70 H THR 70 6.183 -5.909 -5.267 522 HA THR 70 HA THR 70 8.825 -6.271 -6.472 523 HB THR 70 HB THR 70 8.955 -7.962 -4.507 524 HG1 THR 70 1HG THR 70 7.171 -7.358 -2.923 525 HG21 THR 70 1HG2 THR 70 8.537 -4.974 -4.162 526 HG22 THR 70 2HG2 THR 70 8.725 -6.005 -2.724 527 HG23 THR 70 3HG2 THR 70 10.025 -5.924 -3.936 528 H LYS 71 H LYS 71 5.740 -8.055 -5.866 529 HA LYS 71 HA LYS 71 6.266 -9.549 -8.289 530 HB2 LYS 71 1HB LYS 71 7.370 -10.826 -6.431 531 HB3 LYS 71 2HB LYS 71 5.803 -10.997 -5.667 532 HG2 LYS 71 1HG LYS 71 5.068 -12.552 -7.200 533 HG3 LYS 71 2HG LYS 71 5.844 -11.747 -8.550 534 HD2 LYS 71 1HD LYS 71 7.654 -13.026 -6.519 535 HD3 LYS 71 2HD LYS 71 6.729 -14.109 -7.540 536 HE2 LYS 71 1HE LYS 71 8.273 -13.795 -9.173 537 HE3 LYS 71 2HE LYS 71 7.720 -12.138 -9.317 538 HZ1 LYS 71 1HZ LYS 71 9.279 -11.935 -7.211 539 HZ2 LYS 71 2HZ LYS 71 10.041 -13.167 -7.966 540 HZ3 LYS 71 3HZ LYS 71 9.829 -11.743 -8.737 541 H VAL 72 H VAL 72 4.336 -10.445 -9.213 542 HA VAL 72 HA VAL 72 1.867 -9.885 -7.785 543 HB VAL 72 HB VAL 72 1.929 -7.863 -8.855 544 HG11 VAL 72 1HG1 VAL 72 3.744 -9.233 -10.713 545 HG12 VAL 72 2HG1 VAL 72 2.656 -8.072 -11.511 546 HG13 VAL 72 3HG1 VAL 72 3.711 -7.534 -10.182 547 HG21 VAL 72 1HG2 VAL 72 0.466 -7.989 -10.880 548 HG22 VAL 72 2HG2 VAL 72 0.670 -9.758 -10.866 549 HG23 VAL 72 3HG2 VAL 72 -0.130 -8.943 -9.501 550 H LYS 73 H LYS 73 0.707 -11.731 -7.864 551 HA LYS 73 HA LYS 73 1.423 -13.912 -9.389 552 HB2 LYS 73 1HB LYS 73 0.007 -13.878 -7.317 553 HB3 LYS 73 2HB LYS 73 -1.332 -13.294 -8.285 554 HG2 LYS 73 1HG LYS 73 -1.771 -15.551 -8.479 555 HG3 LYS 73 2HG LYS 73 -0.653 -15.414 -9.821 556 HD2 LYS 73 1HD LYS 73 1.160 -15.833 -7.855 557 HD3 LYS 73 2HD LYS 73 -0.213 -16.612 -7.095 558 HE2 LYS 73 1HE LYS 73 -0.542 -17.952 -9.247 559 HE3 LYS 73 2HE LYS 73 0.962 -17.272 -9.836 560 HZ1 LYS 73 1HZ LYS 73 0.647 -18.879 -7.396 561 HZ2 LYS 73 2HZ LYS 73 1.349 -19.364 -8.789 562 HZ3 LYS 73 3HZ LYS 73 2.050 -18.199 -7.883 563 H LYS 74 H LYS 74 1.032 -14.604 -11.451 564 HA LYS 74 HA LYS 74 -0.222 -12.686 -13.205 565 HB2 LYS 74 1HB LYS 74 1.810 -13.549 -14.021 566 HB3 LYS 74 2HB LYS 74 1.400 -15.198 -13.594 567 HG2 LYS 74 1HG LYS 74 0.362 -15.541 -15.585 568 HG3 LYS 74 2HG LYS 74 -0.635 -14.114 -15.381 569 HD2 LYS 74 1HD LYS 74 0.665 -12.883 -16.789 570 HD3 LYS 74 2HD LYS 74 2.140 -13.371 -15.980 571 HE2 LYS 74 1HE LYS 74 1.930 -15.627 -17.211 572 HE3 LYS 74 2HE LYS 74 0.645 -14.901 -18.156 573 HZ1 LYS 74 1HZ LYS 74 3.001 -13.299 -18.002 574 HZ2 LYS 74 2HZ LYS 74 3.243 -14.737 -18.736 575 HZ3 LYS 74 3HZ LYS 74 2.106 -13.711 -19.304 576 H GLY 75 H GLY 75 -2.419 -12.655 -13.187 577 HA2 GLY 75 1HA GLY 75 -4.285 -13.808 -14.237 578 HA3 GLY 75 2HA GLY 75 -3.774 -15.276 -13.428 579 H SER 76 H SER 76 -3.413 -12.262 -11.647 580 HA SER 76 HA SER 76 -5.761 -13.028 -10.096 581 HB2 SER 76 1HB SER 76 -3.010 -12.146 -9.317 582 HB3 SER 76 2HB SER 76 -4.321 -11.508 -8.345 583 HG SER 76 HG SER 76 -5.069 -13.822 -8.168 584 H LEU 77 H LEU 77 -6.699 -11.045 -8.815 585 HA LEU 77 HA LEU 77 -7.774 -9.242 -10.465 586 HB2 LEU 77 1HB LEU 77 -7.100 -9.203 -7.562 587 HB3 LEU 77 2HB LEU 77 -7.678 -7.719 -8.293 588 HG LEU 77 HG LEU 77 -9.285 -10.141 -8.886 589 HD11 LEU 77 1HD1 LEU 77 -10.189 -9.174 -6.351 590 HD12 LEU 77 2HD1 LEU 77 -9.690 -10.818 -6.815 591 HD13 LEU 77 3HD1 LEU 77 -8.483 -9.661 -6.205 592 HD21 LEU 77 1HD2 LEU 77 -10.326 -7.541 -7.810 593 HD22 LEU 77 2HD2 LEU 77 -9.700 -7.626 -9.474 594 HD23 LEU 77 3HD2 LEU 77 -11.054 -8.669 -8.979 595 H ALA 78 H ALA 78 -4.911 -8.391 -8.386 596 HA ALA 78 HA ALA 78 -4.356 -6.106 -9.982 597 HB1 ALA 78 1HB ALA 78 -3.228 -7.491 -7.589 598 HB2 ALA 78 2HB ALA 78 -2.115 -6.455 -8.512 599 HB3 ALA 78 3HB ALA 78 -3.615 -5.772 -7.839 600 H ASP 79 H ASP 79 -4.530 -7.764 -11.977 601 HA ASP 79 HA ASP 79 -2.038 -7.763 -13.124 602 HB2 ASP 79 1HB ASP 79 -1.832 -9.740 -11.424 603 HB3 ASP 79 2HB ASP 79 -2.923 -10.605 -12.488 604 H THR 80 H THR 80 -5.197 -9.488 -12.777 605 HA THR 80 HA THR 80 -5.393 -9.896 -15.643 606 HB THR 80 HB THR 80 -7.592 -10.977 -14.882 607 HG1 THR 80 1HG THR 80 -7.661 -11.129 -12.476 608 HG21 THR 80 1HG2 THR 80 -5.652 -12.473 -14.997 609 HG22 THR 80 2HG2 THR 80 -4.997 -11.805 -13.483 610 HG23 THR 80 3HG2 THR 80 -6.484 -12.782 -13.454 611 H VAL 81 H VAL 81 -7.124 -8.034 -13.065 612 HA VAL 81 HA VAL 81 -8.472 -6.562 -15.192 613 HB VAL 81 HB VAL 81 -9.731 -5.607 -13.216 614 HG11 VAL 81 1HG1 VAL 81 -10.197 -8.523 -13.057 615 HG12 VAL 81 2HG1 VAL 81 -11.301 -7.204 -13.515 616 HG13 VAL 81 3HG1 VAL 81 -10.149 -7.854 -14.706 617 HG21 VAL 81 1HG2 VAL 81 -8.715 -7.948 -11.626 618 HG22 VAL 81 2HG2 VAL 81 -7.811 -6.415 -11.622 619 HG23 VAL 81 3HG2 VAL 81 -9.503 -6.452 -11.071 620 H GLY 82 H GLY 82 -6.099 -6.238 -12.531 621 HA2 GLY 82 1HA GLY 82 -5.897 -3.377 -12.813 622 HA3 GLY 82 2HA GLY 82 -4.916 -4.431 -11.814 623 H HIS 83 H HIS 83 -3.974 -6.300 -13.760 624 HA HIS 83 HA HIS 83 -2.404 -6.588 -15.266 625 HB2 HIS 83 1HB HIS 83 -3.318 -3.914 -16.363 626 HB3 HIS 83 2HB HIS 83 -2.209 -5.001 -17.176 627 HD1 HIS 83 1HD HIS 83 -3.284 -7.529 -17.646 628 HD2 HIS 83 2HD HIS 83 -5.948 -4.358 -16.978 629 HE1 HIS 83 1HE HIS 83 -5.543 -8.289 -18.559 630 H LEU 84 H LEU 84 -1.600 -5.757 -12.759 631 HA LEU 84 HA LEU 84 0.242 -3.557 -13.092 632 HB2 LEU 84 1HB LEU 84 -0.267 -5.377 -10.735 633 HB3 LEU 84 2HB LEU 84 0.728 -3.934 -10.727 634 HG LEU 84 HG LEU 84 -2.094 -3.593 -11.612 635 HD11 LEU 84 1HD1 LEU 84 -1.343 -4.673 -8.956 636 HD12 LEU 84 2HD1 LEU 84 -2.485 -3.308 -8.962 637 HD13 LEU 84 3HD1 LEU 84 -2.870 -4.793 -9.865 638 HD21 LEU 84 1HD2 LEU 84 -0.558 -1.697 -11.530 639 HD22 LEU 84 2HD2 LEU 84 -1.885 -1.500 -10.360 640 HD23 LEU 84 3HD2 LEU 84 -0.269 -1.991 -9.798 641 H ARG 85 H ARG 85 2.558 -4.057 -12.031 642 HA ARG 85 HA ARG 85 3.472 -6.662 -12.767 643 HB2 ARG 85 1HB ARG 85 4.049 -4.201 -14.390 644 HB3 ARG 85 2HB ARG 85 5.417 -5.253 -14.084 645 HG2 ARG 85 1HG ARG 85 4.640 -6.871 -15.497 646 HG3 ARG 85 2HG ARG 85 3.009 -6.769 -14.864 647 HD2 ARG 85 1HD ARG 85 2.346 -5.167 -16.423 648 HD3 ARG 85 2HD ARG 85 3.940 -4.447 -16.531 649 HE ARG 85 HE ARG 85 4.466 -5.929 -18.264 650 HH11 ARG 85 2HH2 ARG 85 1.663 -7.149 -16.522 651 HH12 ARG 85 1HH2 ARG 85 1.364 -8.433 -17.646 652 HH21 ARG 85 2HH1 ARG 85 4.072 -7.622 -19.747 653 HH22 ARG 85 1HH1 ARG 85 2.743 -8.703 -19.493 654 HA PRO 86 HA PRO 86 6.271 -5.631 -9.584 655 HB2 PRO 86 1HB PRO 86 8.259 -7.466 -9.969 656 HB3 PRO 86 2HB PRO 86 6.747 -7.845 -9.168 657 HG2 PRO 86 1HG PRO 86 7.630 -8.560 -11.898 658 HG3 PRO 86 2HG PRO 86 6.344 -9.266 -10.940 659 HD2 PRO 86 1HD PRO 86 6.047 -7.430 -13.123 660 HD3 PRO 86 2HD PRO 86 4.772 -8.046 -12.092 661 H GLY 87 H GLY 87 6.894 -3.529 -9.899 662 HA2 GLY 87 1HA GLY 87 9.483 -2.911 -10.201 663 HA3 GLY 87 2HA GLY 87 8.967 -3.046 -11.870 664 H ASP 88 H ASP 88 6.111 -2.208 -11.029 665 HA ASP 88 HA ASP 88 6.424 0.475 -11.633 666 HB2 ASP 88 1HB ASP 88 4.215 -1.357 -10.832 667 HB3 ASP 88 2HB ASP 88 3.925 0.326 -10.440 668 H GLU 89 H GLU 89 4.901 2.045 -9.955 669 HA GLU 89 HA GLU 89 5.904 1.568 -7.275 670 HB2 GLU 89 1HB GLU 89 7.538 3.091 -8.195 671 HB3 GLU 89 2HB GLU 89 6.299 4.100 -8.915 672 HG2 GLU 89 1HG GLU 89 5.427 4.504 -6.511 673 HG3 GLU 89 2HG GLU 89 6.907 3.753 -5.948 674 H VAL 90 H VAL 90 4.016 1.317 -6.142 675 HA VAL 90 HA VAL 90 1.616 2.587 -6.966 676 HB VAL 90 HB VAL 90 2.296 1.197 -4.367 677 HG11 VAL 90 1HG1 VAL 90 0.093 1.217 -3.836 678 HG12 VAL 90 2HG1 VAL 90 0.062 2.640 -4.905 679 HG13 VAL 90 3HG1 VAL 90 -0.429 1.046 -5.529 680 HG21 VAL 90 1HG2 VAL 90 1.476 -0.854 -5.392 681 HG22 VAL 90 2HG2 VAL 90 1.161 0.003 -6.920 682 HG23 VAL 90 3HG2 VAL 90 2.832 -0.201 -6.342 683 H LEU 91 H LEU 91 1.393 4.768 -6.837 684 HA LEU 91 HA LEU 91 2.819 6.280 -4.901 685 HB2 LEU 91 1HB LEU 91 0.661 6.957 -6.897 686 HB3 LEU 91 2HB LEU 91 1.380 8.144 -5.827 687 HG LEU 91 HG LEU 91 2.818 6.528 -7.949 688 HD11 LEU 91 1HD1 LEU 91 3.186 8.774 -8.978 689 HD12 LEU 91 2HD1 LEU 91 1.486 8.247 -8.951 690 HD13 LEU 91 3HD1 LEU 91 2.063 9.455 -7.777 691 HD21 LEU 91 1HD2 LEU 91 4.769 8.018 -7.384 692 HD22 LEU 91 2HD2 LEU 91 3.890 8.489 -5.910 693 HD23 LEU 91 3HD2 LEU 91 4.361 6.791 -6.160 694 H GLU 92 H GLU 92 -0.727 5.659 -5.426 695 HA GLU 92 HA GLU 92 -1.005 6.077 -2.550 696 HB2 GLU 92 1HB GLU 92 -2.872 6.809 -4.837 697 HB3 GLU 92 2HB GLU 92 -3.431 6.724 -3.178 698 HG2 GLU 92 1HG GLU 92 -2.014 8.512 -2.474 699 HG3 GLU 92 2HG GLU 92 -0.971 8.363 -3.875 700 H TRP 93 H TRP 93 -3.038 4.906 -1.636 701 HA TRP 93 HA TRP 93 -3.725 2.512 -3.125 702 HB2 TRP 93 1HB TRP 93 -1.689 1.856 -1.966 703 HB3 TRP 93 2HB TRP 93 -2.345 2.408 -0.437 704 HD1 TRP 93 HD TRP 93 -4.678 0.957 0.383 705 HE1 TRP 93 1HE TRP 93 -5.237 -1.617 0.226 706 HE3 TRP 93 3HE TRP 93 -1.309 -0.086 -3.279 707 HZ2 TRP 93 2HZ TRP 93 -4.230 -3.753 -1.376 708 HZ3 TRP 93 3HZ TRP 93 -1.161 -2.441 -4.084 709 HH2 TRP 93 HH TRP 93 -2.552 -4.243 -3.193 710 H ASN 94 H ASN 94 -5.865 3.334 -3.200 711 HA ASN 94 HA ASN 94 -7.912 3.486 -2.475 712 HB2 ASN 94 1HB ASN 94 -6.772 1.868 -0.473 713 HB3 ASN 94 2HB ASN 94 -7.502 3.170 0.446 714 HD21 ASN 94 1HD2 ASN 94 -8.286 0.433 0.404 715 HD22 ASN 94 2HD2 ASN 94 -9.914 0.330 -0.176 716 H GLY 95 H GLY 95 -6.040 5.734 -2.576 717 HA2 GLY 95 1HA GLY 95 -6.384 7.975 -2.190 718 HA3 GLY 95 2HA GLY 95 -7.465 7.604 -0.862 719 H ARG 96 H ARG 96 -4.993 5.536 -0.236 720 HA ARG 96 HA ARG 96 -3.827 7.432 1.587 721 HB2 ARG 96 1HB ARG 96 -3.888 4.409 1.367 722 HB3 ARG 96 2HB ARG 96 -2.640 5.157 2.343 723 HG2 ARG 96 1HG ARG 96 -5.368 6.246 2.822 724 HG3 ARG 96 2HG ARG 96 -5.194 4.551 3.232 725 HD2 ARG 96 1HD ARG 96 -3.062 5.219 4.536 726 HD3 ARG 96 2HD ARG 96 -3.550 6.886 4.306 727 HE ARG 96 HE ARG 96 -4.796 4.934 6.098 728 HH11 ARG 96 2HH2 ARG 96 -5.295 7.924 4.311 729 HH12 ARG 96 1HH2 ARG 96 -6.580 8.472 5.336 730 HH21 ARG 96 2HH1 ARG 96 -6.491 5.655 7.450 731 HH22 ARG 96 1HH1 ARG 96 -7.265 7.172 7.133 732 H LEU 97 H LEU 97 -1.971 8.497 0.974 733 HA LEU 97 HA LEU 97 -0.475 7.623 -1.273 734 HB2 LEU 97 1HB LEU 97 -0.801 9.964 -0.778 735 HB3 LEU 97 2HB LEU 97 -0.009 9.791 0.776 736 HG LEU 97 HG LEU 97 1.799 8.869 -1.243 737 HD11 LEU 97 1HD1 LEU 97 0.580 10.135 -2.884 738 HD12 LEU 97 2HD1 LEU 97 0.559 11.569 -1.830 739 HD13 LEU 97 3HD1 LEU 97 2.097 10.987 -2.511 740 HD21 LEU 97 1HD2 LEU 97 2.270 9.827 1.043 741 HD22 LEU 97 2HD2 LEU 97 3.285 10.450 -0.280 742 HD23 LEU 97 3HD2 LEU 97 1.943 11.434 0.353 743 H LEU 98 H LEU 98 1.346 6.381 -1.395 744 HA LEU 98 HA LEU 98 2.245 5.234 1.131 745 HB2 LEU 98 1HB LEU 98 2.948 4.351 -1.664 746 HB3 LEU 98 2HB LEU 98 3.150 3.461 -0.168 747 HG LEU 98 HG LEU 98 0.577 4.092 -1.621 748 HD11 LEU 98 1HD1 LEU 98 1.888 1.479 -0.820 749 HD12 LEU 98 2HD1 LEU 98 0.320 1.650 -1.645 750 HD13 LEU 98 3HD1 LEU 98 1.815 2.171 -2.458 751 HD21 LEU 98 1HD2 LEU 98 -0.415 4.270 0.374 752 HD22 LEU 98 2HD2 LEU 98 -0.169 2.511 0.498 753 HD23 LEU 98 3HD2 LEU 98 0.999 3.628 1.245 754 H GLN 99 H GLN 99 3.131 7.519 -1.365 755 HA GLN 99 HA GLN 99 5.863 7.341 -1.248 756 HB2 GLN 99 1HB GLN 99 3.877 9.473 -1.946 757 HB3 GLN 99 2HB GLN 99 5.522 10.005 -1.664 758 HG2 GLN 99 1HG GLN 99 6.306 8.214 -3.301 759 HG3 GLN 99 2HG GLN 99 4.625 7.876 -3.660 760 HE21 GLN 99 1HE2 GLN 99 6.830 8.921 -5.315 761 HE22 GLN 99 2HE2 GLN 99 6.278 10.410 -6.006 762 H GLY 100 H GLY 100 7.213 7.478 0.486 763 HA2 GLY 100 1HA GLY 100 8.227 8.699 2.190 764 HA3 GLY 100 2HA GLY 100 6.752 9.611 2.440 765 H ALA 101 H ALA 101 5.051 7.085 2.325 766 HA ALA 101 HA ALA 101 4.911 6.598 5.047 767 HB1 ALA 101 1HB ALA 101 3.986 4.891 2.700 768 HB2 ALA 101 2HB ALA 101 3.409 4.749 4.378 769 HB3 ALA 101 3HB ALA 101 3.077 6.228 3.444 770 H THR 102 H THR 102 5.643 4.900 6.392 771 HA THR 102 HA THR 102 8.142 3.751 5.541 772 HB THR 102 HB THR 102 8.397 3.288 7.867 773 HG1 THR 102 1HG THR 102 5.475 3.552 7.947 774 HG21 THR 102 1HG2 THR 102 6.258 5.387 8.241 775 HG22 THR 102 2HG2 THR 102 7.882 5.295 8.964 776 HG23 THR 102 3HG2 THR 102 7.688 5.828 7.277 777 H PHE 103 H PHE 103 8.544 1.346 6.191 778 HA PHE 103 HA PHE 103 7.149 -0.208 4.403 779 HB2 PHE 103 1HB PHE 103 9.382 -0.732 5.387 780 HB3 PHE 103 2HB PHE 103 8.687 -0.829 6.992 781 HD1 PHE 103 2HD PHE 103 7.205 -2.743 7.581 782 HD2 PHE 103 1HD PHE 103 9.311 -2.594 3.900 783 HE1 PHE 103 2HE PHE 103 6.854 -5.210 7.280 784 HE2 PHE 103 1HE PHE 103 8.960 -5.061 3.599 785 HZ PHE 103 HZ PHE 103 7.735 -6.340 5.293 786 H GLU 104 H GLU 104 6.620 0.301 7.933 787 HA GLU 104 HA GLU 104 4.671 -1.706 8.122 788 HB2 GLU 104 1HB GLU 104 5.474 0.645 9.862 789 HB3 GLU 104 2HB GLU 104 4.092 -0.346 10.286 790 HG2 GLU 104 1HG GLU 104 6.222 -2.146 9.605 791 HG3 GLU 104 2HG GLU 104 6.911 -0.922 10.652 792 H GLU 105 H GLU 105 4.584 1.857 7.575 793 HA GLU 105 HA GLU 105 1.859 2.163 7.797 794 HB2 GLU 105 1HB GLU 105 4.092 3.665 6.467 795 HB3 GLU 105 2HB GLU 105 2.459 4.095 5.996 796 HG2 GLU 105 1HG GLU 105 1.897 4.311 8.488 797 HG3 GLU 105 2HG GLU 105 3.605 4.104 8.825 798 H VAL 106 H VAL 106 3.849 1.771 4.770 799 HA VAL 106 HA VAL 106 1.846 1.693 2.948 800 HB VAL 106 HB VAL 106 4.450 0.188 3.138 801 HG11 VAL 106 1HG1 VAL 106 3.060 -1.148 1.685 802 HG12 VAL 106 2HG1 VAL 106 2.524 0.297 0.794 803 HG13 VAL 106 3HG1 VAL 106 4.218 -0.238 0.686 804 HG21 VAL 106 1HG2 VAL 106 4.822 2.516 2.945 805 HG22 VAL 106 2HG2 VAL 106 5.036 1.865 1.302 806 HG23 VAL 106 3HG2 VAL 106 3.529 2.707 1.736 807 H TYR 107 H TYR 107 2.937 -0.930 5.157 808 HA TYR 107 HA TYR 107 1.226 -2.884 4.009 809 HB2 TYR 107 1HB TYR 107 3.307 -3.345 5.339 810 HB3 TYR 107 2HB TYR 107 2.646 -2.482 6.714 811 HD1 TYR 107 1HD TYR 107 0.400 -3.445 7.704 812 HD2 TYR 107 2HD TYR 107 3.089 -5.668 5.228 813 HE1 TYR 107 1HE TYR 107 -0.564 -5.621 8.599 814 HE2 TYR 107 2HE TYR 107 2.116 -7.836 6.131 815 HH TYR 107 HH TYR 107 0.283 -8.684 7.182 816 H ASN 108 H ASN 108 1.089 -0.920 7.066 817 HA ASN 108 HA ASN 108 -1.162 -1.868 8.118 818 HB2 ASN 108 1HB ASN 108 -0.193 1.020 7.889 819 HB3 ASN 108 2HB ASN 108 -1.586 0.599 8.865 820 HD21 ASN 108 1HD2 ASN 108 0.283 1.729 10.228 821 HD22 ASN 108 2HD2 ASN 108 1.230 0.639 11.185 822 H ILE 109 H ILE 109 -0.764 0.197 5.232 823 HA ILE 109 HA ILE 109 -3.459 1.016 5.030 824 HB ILE 109 HB ILE 109 -1.188 0.876 3.049 825 HG12 ILE 109 1HG1 ILE 109 -2.395 3.356 4.263 826 HG13 ILE 109 2HG1 ILE 109 -1.180 2.438 5.132 827 HG21 ILE 109 1HG2 ILE 109 -3.297 2.717 2.327 828 HG22 ILE 109 2HG2 ILE 109 -2.534 1.424 1.371 829 HG23 ILE 109 3HG2 ILE 109 -3.916 1.051 2.430 830 HD11 ILE 109 1HD1 ILE 109 -0.892 4.148 2.727 831 HD12 ILE 109 2HD1 ILE 109 0.314 3.705 3.959 832 HD13 ILE 109 3HD1 ILE 109 -0.038 2.590 2.616 833 H ILE 110 H ILE 110 -1.614 -1.318 2.937 834 HA ILE 110 HA ILE 110 -3.789 -2.409 1.699 835 HB ILE 110 HB ILE 110 -1.129 -3.611 2.450 836 HG12 ILE 110 1HG1 ILE 110 -1.777 -2.960 -0.354 837 HG13 ILE 110 2HG1 ILE 110 -1.708 -1.571 0.712 838 HG21 ILE 110 1HG2 ILE 110 -1.717 -5.595 1.649 839 HG22 ILE 110 2HG2 ILE 110 -3.404 -5.029 1.614 840 HG23 ILE 110 3HG2 ILE 110 -2.379 -4.862 0.169 841 HD11 ILE 110 1HD1 ILE 110 0.549 -2.055 1.383 842 HD12 ILE 110 2HD1 ILE 110 0.477 -3.693 0.689 843 HD13 ILE 110 3HD1 ILE 110 0.510 -2.273 -0.384 844 H LEU 111 H LEU 111 -2.517 -3.004 4.975 845 HA LEU 111 HA LEU 111 -4.182 -5.297 5.378 846 HB2 LEU 111 1HB LEU 111 -2.043 -5.114 6.476 847 HB3 LEU 111 2HB LEU 111 -2.510 -3.607 7.239 848 HG LEU 111 HG LEU 111 -2.539 -5.783 8.627 849 HD11 LEU 111 1HD1 LEU 111 -4.008 -4.827 10.117 850 HD12 LEU 111 2HD1 LEU 111 -3.605 -3.433 9.086 851 HD13 LEU 111 3HD1 LEU 111 -5.137 -4.305 8.845 852 HD21 LEU 111 1HD2 LEU 111 -4.801 -6.915 8.570 853 HD22 LEU 111 2HD2 LEU 111 -5.057 -6.133 6.992 854 HD23 LEU 111 3HD2 LEU 111 -3.709 -7.275 7.211 855 H GLU 112 H GLU 112 -4.334 -1.774 5.963 856 HA GLU 112 HA GLU 112 -6.622 -1.975 7.603 857 HB2 GLU 112 1HB GLU 112 -5.082 0.249 6.280 858 HB3 GLU 112 2HB GLU 112 -6.701 0.602 6.852 859 HG2 GLU 112 1HG GLU 112 -5.241 -0.927 8.869 860 HG3 GLU 112 2HG GLU 112 -4.312 0.482 8.397 861 H SER 113 H SER 113 -6.019 -2.068 4.168 862 HA SER 113 HA SER 113 -8.809 -1.437 3.654 863 HB2 SER 113 1HB SER 113 -6.439 -1.674 1.747 864 HB3 SER 113 2HB SER 113 -8.079 -1.307 1.248 865 HG SER 113 HG SER 113 -6.342 0.493 1.812 866 H LYS 114 H LYS 114 -7.723 -3.986 4.876 867 HA LYS 114 HA LYS 114 -7.841 -5.960 2.821 868 HB2 LYS 114 1HB LYS 114 -6.689 -5.910 5.234 869 HB3 LYS 114 2HB LYS 114 -8.206 -6.650 5.705 870 HG2 LYS 114 1HG LYS 114 -7.890 -8.523 4.263 871 HG3 LYS 114 2HG LYS 114 -6.697 -7.691 3.286 872 HD2 LYS 114 1HD LYS 114 -5.813 -7.792 6.069 873 HD3 LYS 114 2HD LYS 114 -6.216 -9.403 5.510 874 HE2 LYS 114 1HE LYS 114 -4.758 -8.059 3.401 875 HE3 LYS 114 2HE LYS 114 -3.872 -7.846 4.898 876 HZ1 LYS 114 1HZ LYS 114 -3.140 -9.875 4.400 877 HZ2 LYS 114 2HZ LYS 114 -4.540 -10.402 5.054 878 HZ3 LYS 114 3HZ LYS 114 -4.401 -10.252 3.433 879 HA PRO 115 HA PRO 115 -12.188 -6.441 4.624 880 HB2 PRO 115 1HB PRO 115 -13.201 -4.506 6.268 881 HB3 PRO 115 2HB PRO 115 -12.461 -5.979 6.864 882 HG2 PRO 115 1HG PRO 115 -11.357 -3.237 6.820 883 HG3 PRO 115 2HG PRO 115 -10.837 -4.615 7.770 884 HD2 PRO 115 1HD PRO 115 -9.560 -3.567 5.425 885 HD3 PRO 115 2HD PRO 115 -9.108 -5.012 6.308 886 H GLU 116 H GLU 116 -11.049 -3.330 3.703 887 HA GLU 116 HA GLU 116 -13.265 -2.094 2.886 888 HB2 GLU 116 1HB GLU 116 -10.452 -2.209 1.891 889 HB3 GLU 116 2HB GLU 116 -11.615 -1.513 0.780 890 HG2 GLU 116 1HG GLU 116 -12.225 -0.414 3.347 891 HG3 GLU 116 2HG GLU 116 -10.480 -0.352 3.197 892 HA PRO 117 HA PRO 117 -15.042 -4.449 -0.296 893 HB2 PRO 117 1HB PRO 117 -16.455 -2.553 -1.667 894 HB3 PRO 117 2HB PRO 117 -17.018 -3.274 -0.172 895 HG2 PRO 117 1HG PRO 117 -15.884 -0.581 -0.619 896 HG3 PRO 117 2HG PRO 117 -16.828 -1.163 0.738 897 HD2 PRO 117 1HD PRO 117 -13.992 -0.739 0.676 898 HD3 PRO 117 2HD PRO 117 -14.920 -1.430 1.993 899 H GLN 118 H GLN 118 -13.373 -1.555 -1.338 900 HA GLN 118 HA GLN 118 -12.408 -3.159 -3.562 901 HB2 GLN 118 1HB GLN 118 -12.652 -1.292 -5.112 902 HB3 GLN 118 2HB GLN 118 -14.209 -1.631 -4.383 903 HG2 GLN 118 1HG GLN 118 -13.298 0.196 -2.584 904 HG3 GLN 118 2HG GLN 118 -12.398 0.732 -3.989 905 HE21 GLN 118 1HE2 GLN 118 -13.977 0.352 -6.081 906 HE22 GLN 118 2HE2 GLN 118 -15.454 1.250 -5.977 907 H VAL 119 H VAL 119 -10.321 -2.268 -4.498 908 HA VAL 119 HA VAL 119 -8.886 -0.637 -2.528 909 HB VAL 119 HB VAL 119 -7.895 -3.168 -3.856 910 HG11 VAL 119 1HG1 VAL 119 -6.288 -2.130 -1.661 911 HG12 VAL 119 2HG1 VAL 119 -5.804 -2.596 -3.310 912 HG13 VAL 119 3HG1 VAL 119 -6.420 -0.956 -2.993 913 HG21 VAL 119 1HG2 VAL 119 -7.857 -4.116 -1.595 914 HG22 VAL 119 2HG2 VAL 119 -8.539 -2.607 -0.941 915 HG23 VAL 119 3HG2 VAL 119 -9.503 -3.613 -2.048 916 H GLU 120 H GLU 120 -8.380 1.227 -3.552 917 HA GLU 120 HA GLU 120 -7.981 1.093 -6.413 918 HB2 GLU 120 1HB GLU 120 -9.517 2.813 -5.671 919 HB3 GLU 120 2HB GLU 120 -8.381 3.408 -4.477 920 HG2 GLU 120 1HG GLU 120 -7.035 3.442 -7.021 921 HG3 GLU 120 2HG GLU 120 -8.619 4.153 -7.264 922 H LEU 121 H LEU 121 -5.978 1.240 -7.364 923 HA LEU 121 HA LEU 121 -3.768 2.032 -5.596 924 HB2 LEU 121 1HB LEU 121 -4.057 -0.228 -7.532 925 HB3 LEU 121 2HB LEU 121 -2.479 0.497 -7.301 926 HG LEU 121 HG LEU 121 -2.343 -0.178 -5.060 927 HD11 LEU 121 1HD1 LEU 121 -4.385 -1.284 -3.930 928 HD12 LEU 121 2HD1 LEU 121 -4.335 0.491 -4.062 929 HD13 LEU 121 3HD1 LEU 121 -5.337 -0.457 -5.187 930 HD21 LEU 121 1HD2 LEU 121 -1.859 -2.168 -5.981 931 HD22 LEU 121 2HD2 LEU 121 -3.414 -2.670 -5.275 932 HD23 LEU 121 3HD2 LEU 121 -3.329 -2.183 -6.985 933 H VAL 122 H VAL 122 -1.854 2.949 -6.815 934 HA VAL 122 HA VAL 122 -2.545 4.100 -9.384 935 HB VAL 122 HB VAL 122 -1.696 5.891 -7.112 936 HG11 VAL 122 1HG1 VAL 122 -1.345 6.477 -9.602 937 HG12 VAL 122 2HG1 VAL 122 -3.113 6.675 -9.661 938 HG13 VAL 122 3HG1 VAL 122 -2.140 7.682 -8.561 939 HG21 VAL 122 1HG2 VAL 122 -3.896 4.886 -6.571 940 HG22 VAL 122 2HG2 VAL 122 -4.000 6.635 -6.882 941 HG23 VAL 122 3HG2 VAL 122 -4.528 5.477 -8.126 942 H VAL 123 H VAL 123 -0.814 3.747 -10.666 943 HA VAL 123 HA VAL 123 1.810 3.688 -9.340 944 HB VAL 123 HB VAL 123 2.229 2.259 -11.565 945 HG11 VAL 123 1HG1 VAL 123 2.789 1.538 -9.309 946 HG12 VAL 123 2HG1 VAL 123 1.077 1.199 -8.962 947 HG13 VAL 123 3HG1 VAL 123 1.948 0.228 -10.173 948 HG21 VAL 123 1HG2 VAL 123 0.335 0.736 -11.966 949 HG22 VAL 123 2HG2 VAL 123 -0.668 1.691 -10.848 950 HG23 VAL 123 3HG2 VAL 123 -0.081 2.421 -12.361 951 H SER 124 H SER 124 3.549 4.752 -10.383 952 HA SER 124 HA SER 124 2.712 6.372 -12.658 953 HB2 SER 124 1HB SER 124 2.797 7.955 -10.905 954 HB3 SER 124 2HB SER 124 4.164 7.178 -10.130 955 HG SER 124 HG SER 124 5.575 8.120 -11.530 956 H ARG 125 H ARG 125 3.873 5.693 -14.421 957 HA ARG 125 HA ARG 125 6.605 4.840 -13.887 958 HB2 ARG 125 1HB ARG 125 6.345 3.539 -16.086 959 HB3 ARG 125 2HB ARG 125 5.370 2.956 -14.751 960 HG2 ARG 125 1HG ARG 125 3.405 4.230 -15.617 961 HG3 ARG 125 2HG ARG 125 4.377 4.845 -16.939 962 HD2 ARG 125 1HD ARG 125 3.043 2.914 -17.705 963 HD3 ARG 125 2HD ARG 125 4.749 2.520 -17.768 964 HE ARG 125 HE ARG 125 3.968 1.685 -15.229 965 HH11 ARG 125 2HH2 ARG 125 2.880 1.003 -18.505 966 HH12 ARG 125 1HH2 ARG 125 2.336 -0.597 -18.128 967 HH21 ARG 125 2HH1 ARG 125 3.251 -0.427 -14.730 968 HH22 ARG 125 1HH1 ARG 125 2.549 -1.416 -15.966 969 H SER 126 H SER 126 8.174 5.274 -15.752 970 HA SER 126 HA SER 126 7.642 7.925 -16.731 971 HB2 SER 126 1HB SER 126 9.977 8.111 -17.074 972 HB3 SER 126 2HB SER 126 9.841 7.140 -15.622 973 HG SER 126 HG SER 126 10.441 6.255 -18.303 974 H GLY 127 H GLY 127 6.618 8.137 -18.687 975 HA2 GLY 127 1HA GLY 127 6.349 6.013 -20.530 976 HA3 GLY 127 2HA GLY 127 5.925 7.695 -20.782 977 HA PRO 128 HA PRO 128 9.527 6.832 -23.413 978 HB2 PRO 128 1HB PRO 128 8.433 7.580 -25.803 979 HB3 PRO 128 2HB PRO 128 8.458 5.922 -25.239 980 HG2 PRO 128 1HG PRO 128 6.189 7.814 -25.329 981 HG3 PRO 128 2HG PRO 128 6.157 6.068 -25.180 982 HD2 PRO 128 1HD PRO 128 5.733 7.978 -23.082 983 HD3 PRO 128 2HD PRO 128 5.817 6.236 -22.912 984 H SER 129 H SER 129 7.927 9.371 -22.212 985 HA SER 129 HA SER 129 8.433 11.466 -21.955 986 HB2 SER 129 1HB SER 129 11.090 10.778 -23.288 987 HB3 SER 129 2HB SER 129 10.758 12.274 -22.437 988 HG SER 129 HG SER 129 10.113 10.041 -20.904 989 H SER 130 H SER 130 7.968 13.406 -23.073 990 HA SER 130 HA SER 130 7.452 13.020 -25.870 991 HB2 SER 130 1HB SER 130 5.683 14.054 -24.589 992 HB3 SER 130 2HB SER 130 6.778 15.230 -23.891 993 HG SER 130 HG SER 130 5.982 16.443 -25.499 994 H GLY 131 H GLY 131 8.951 13.573 -27.405 995 HA2 GLY 131 1HA GLY 131 10.413 14.937 -28.509 996 HA3 GLY 131 2HA GLY 131 10.444 16.038 -27.146 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -49.523 -5.848 -11.306 2 HA2 GLY 1 1HA GLY 1 -47.842 -4.195 -11.466 3 HA3 GLY 1 2HA GLY 1 -47.006 -5.728 -11.310 4 H SER 2 H SER 2 -45.269 -5.831 -12.660 5 HA SER 2 HA SER 2 -45.717 -5.368 -15.439 6 HB2 SER 2 1HB SER 2 -44.169 -3.603 -15.784 7 HB3 SER 2 2HB SER 2 -45.113 -3.088 -14.400 8 HG SER 2 HG SER 2 -43.211 -4.347 -13.206 9 H SER 3 H SER 3 -43.556 -5.874 -16.689 10 HA SER 3 HA SER 3 -41.631 -7.333 -15.204 11 HB2 SER 3 1HB SER 3 -43.888 -8.789 -16.003 12 HB3 SER 3 2HB SER 3 -42.725 -9.133 -17.268 13 HG SER 3 HG SER 3 -42.392 -9.535 -14.422 14 H GLY 4 H GLY 4 -39.980 -6.150 -16.185 15 HA2 GLY 4 1HA GLY 4 -39.011 -6.848 -18.671 16 HA3 GLY 4 2HA GLY 4 -40.019 -5.441 -18.943 17 H SER 5 H SER 5 -39.527 -3.407 -17.810 18 HA SER 5 HA SER 5 -38.225 -1.887 -16.956 19 HB2 SER 5 1HB SER 5 -37.406 -4.239 -15.516 20 HB3 SER 5 2HB SER 5 -35.959 -3.323 -15.890 21 HG SER 5 HG SER 5 -37.527 -2.842 -13.878 22 H SER 6 H SER 6 -35.829 -4.495 -17.824 23 HA SER 6 HA SER 6 -34.258 -4.590 -19.321 24 HB2 SER 6 1HB SER 6 -36.280 -3.318 -20.708 25 HB3 SER 6 2HB SER 6 -34.971 -2.168 -20.894 26 HG SER 6 HG SER 6 -35.344 -4.514 -22.203 27 H GLY 7 H GLY 7 -32.301 -4.093 -18.389 28 HA2 GLY 7 1HA GLY 7 -30.436 -2.694 -18.290 29 HA3 GLY 7 2HA GLY 7 -31.467 -1.282 -18.406 30 H HIS 8 H HIS 8 -29.606 -3.168 -16.301 31 HA HIS 8 HA HIS 8 -30.506 -1.659 -14.065 32 HB2 HIS 8 1HB HIS 8 -31.886 -4.023 -14.480 33 HB3 HIS 8 2HB HIS 8 -30.641 -4.500 -13.343 34 HD1 HIS 8 1HD HIS 8 -32.554 -1.180 -13.454 35 HD2 HIS 8 2HD HIS 8 -32.002 -4.510 -10.964 36 HE1 HIS 8 1HE HIS 8 -33.786 -0.660 -11.281 37 H SER 9 H SER 9 -28.996 -1.814 -12.261 38 HA SER 9 HA SER 9 -27.063 -2.151 -11.316 39 HB2 SER 9 1HB SER 9 -27.477 -4.613 -12.041 40 HB3 SER 9 2HB SER 9 -26.346 -4.300 -13.343 41 HG SER 9 HG SER 9 -24.878 -4.860 -11.877 42 H HIS 10 H HIS 10 -26.313 -2.981 -14.785 43 HA HIS 10 HA HIS 10 -24.839 -2.146 -16.189 44 HB2 HIS 10 1HB HIS 10 -26.625 -0.388 -16.162 45 HB3 HIS 10 2HB HIS 10 -25.656 0.529 -15.026 46 HD1 HIS 10 1HD HIS 10 -23.222 1.333 -15.951 47 HD2 HIS 10 2HD HIS 10 -25.974 -0.010 -18.818 48 HE1 HIS 10 1HE HIS 10 -22.377 2.179 -18.205 49 H SER 11 H SER 11 -22.953 -3.104 -15.286 50 HA SER 11 HA SER 11 -21.420 -1.252 -13.634 51 HB2 SER 11 1HB SER 11 -20.226 -3.229 -12.751 52 HB3 SER 11 2HB SER 11 -21.950 -3.357 -12.466 53 HG SER 11 HG SER 11 -20.316 -5.056 -13.847 54 H ASP 12 H ASP 12 -20.872 -0.233 -15.806 55 HA ASP 12 HA ASP 12 -18.744 -1.787 -17.056 56 HB2 ASP 12 1HB ASP 12 -20.662 0.221 -18.329 57 HB3 ASP 12 2HB ASP 12 -19.274 -0.457 -19.156 58 H LYS 13 H LYS 13 -17.371 -0.653 -15.365 59 HA LYS 13 HA LYS 13 -16.647 2.011 -16.312 60 HB2 LYS 13 1HB LYS 13 -17.410 1.288 -13.479 61 HB3 LYS 13 2HB LYS 13 -16.370 2.650 -13.839 62 HG2 LYS 13 1HG LYS 13 -18.345 3.174 -15.626 63 HG3 LYS 13 2HG LYS 13 -19.287 2.269 -14.458 64 HD2 LYS 13 1HD LYS 13 -17.464 4.326 -13.288 65 HD3 LYS 13 2HD LYS 13 -18.768 4.965 -14.269 66 HE2 LYS 13 1HE LYS 13 -19.175 2.967 -11.993 67 HE3 LYS 13 2HE LYS 13 -19.349 4.701 -11.811 68 HZ1 LYS 13 1HZ LYS 13 -21.162 2.863 -12.911 69 HZ2 LYS 13 2HZ LYS 13 -21.401 4.430 -12.520 70 HZ3 LYS 13 3HZ LYS 13 -20.838 4.035 -14.001 71 H HIS 14 H HIS 14 -14.601 1.764 -17.025 72 HA HIS 14 HA HIS 14 -12.979 -0.354 -16.445 73 HB2 HIS 14 1HB HIS 14 -11.114 1.234 -17.194 74 HB3 HIS 14 2HB HIS 14 -12.417 0.900 -18.317 75 HD1 HIS 14 1HD HIS 14 -11.688 3.568 -15.643 76 HD2 HIS 14 2HD HIS 14 -13.364 3.177 -19.469 77 HE1 HIS 14 1HE HIS 14 -12.340 5.922 -16.382 78 HA PRO 15 HA PRO 15 -11.887 0.607 -12.318 79 HB2 PRO 15 1HB PRO 15 -10.578 -1.726 -11.762 80 HB3 PRO 15 2HB PRO 15 -12.313 -1.539 -11.601 81 HG2 PRO 15 1HG PRO 15 -10.789 -2.949 -13.705 82 HG3 PRO 15 2HG PRO 15 -12.484 -3.102 -13.288 83 HD2 PRO 15 1HD PRO 15 -11.390 -1.685 -15.529 84 HD3 PRO 15 2HD PRO 15 -13.073 -1.742 -15.046 85 H VAL 16 H VAL 16 -9.678 -0.408 -14.792 86 HA VAL 16 HA VAL 16 -7.558 0.981 -13.312 87 HB VAL 16 HB VAL 16 -6.009 -0.403 -14.328 88 HG11 VAL 16 1HG1 VAL 16 -7.279 -1.668 -12.702 89 HG12 VAL 16 2HG1 VAL 16 -8.506 -2.083 -13.923 90 HG13 VAL 16 3HG1 VAL 16 -6.855 -2.734 -14.063 91 HG21 VAL 16 1HG2 VAL 16 -8.105 -1.216 -16.371 92 HG22 VAL 16 2HG2 VAL 16 -6.753 -0.091 -16.647 93 HG23 VAL 16 3HG2 VAL 16 -6.427 -1.806 -16.300 94 H THR 17 H THR 17 -6.292 2.573 -14.394 95 HA THR 17 HA THR 17 -7.012 3.281 -17.103 96 HB THR 17 HB THR 17 -7.377 5.740 -15.972 97 HG1 THR 17 1HG THR 17 -7.687 5.345 -13.818 98 HG21 THR 17 1HG2 THR 17 -9.714 5.477 -16.326 99 HG22 THR 17 2HG2 THR 17 -9.024 4.242 -17.407 100 HG23 THR 17 3HG2 THR 17 -9.688 3.769 -15.824 101 H TRP 18 H TRP 18 -5.229 3.863 -18.172 102 HA TRP 18 HA TRP 18 -2.960 4.740 -16.520 103 HB2 TRP 18 1HB TRP 18 -3.046 3.169 -19.097 104 HB3 TRP 18 2HB TRP 18 -1.585 3.897 -18.460 105 HD1 TRP 18 HD TRP 18 -3.955 0.953 -17.828 106 HE1 TRP 18 1HE TRP 18 -2.947 -0.747 -16.079 107 HE3 TRP 18 3HE TRP 18 -0.033 3.882 -16.453 108 HZ2 TRP 18 2HZ TRP 18 -0.674 -0.677 -14.356 109 HZ3 TRP 18 3HZ TRP 18 1.534 2.991 -14.731 110 HH2 TRP 18 HH TRP 18 1.263 0.796 -13.692 111 H GLN 19 H GLN 19 -2.817 6.946 -16.637 112 HA GLN 19 HA GLN 19 -3.016 8.083 -19.303 113 HB2 GLN 19 1HB GLN 19 -4.401 9.128 -16.798 114 HB3 GLN 19 2HB GLN 19 -4.181 10.098 -18.241 115 HG2 GLN 19 1HG GLN 19 -5.430 7.353 -18.500 116 HG3 GLN 19 2HG GLN 19 -6.407 8.675 -17.891 117 HE21 GLN 19 1HE2 GLN 19 -7.744 8.957 -19.569 118 HE22 GLN 19 2HE2 GLN 19 -7.273 9.459 -21.159 119 HA PRO 20 HA PRO 20 0.599 10.130 -18.044 120 HB2 PRO 20 1HB PRO 20 0.677 12.233 -19.788 121 HB3 PRO 20 2HB PRO 20 1.180 10.610 -20.219 122 HG2 PRO 20 1HG PRO 20 -1.297 12.043 -20.963 123 HG3 PRO 20 2HG PRO 20 -0.584 10.625 -21.706 124 HD2 PRO 20 1HD PRO 20 -2.848 10.685 -19.947 125 HD3 PRO 20 2HD PRO 20 -2.064 9.260 -20.597 126 H SER 21 H SER 21 1.593 11.947 -16.969 127 HA SER 21 HA SER 21 -0.296 13.080 -15.230 128 HB2 SER 21 1HB SER 21 1.537 13.768 -14.010 129 HB3 SER 21 2HB SER 21 2.322 12.549 -14.995 130 HG SER 21 HG SER 21 2.936 15.149 -14.841 131 H LYS 22 H LYS 22 0.187 15.703 -14.803 132 HA LYS 22 HA LYS 22 -1.190 17.004 -16.795 133 HB2 LYS 22 1HB LYS 22 -0.067 17.614 -14.264 134 HB3 LYS 22 2HB LYS 22 0.517 18.840 -15.372 135 HG2 LYS 22 1HG LYS 22 -2.384 18.116 -15.617 136 HG3 LYS 22 2HG LYS 22 -1.922 18.963 -14.154 137 HD2 LYS 22 1HD LYS 22 -0.582 20.324 -16.265 138 HD3 LYS 22 2HD LYS 22 -2.194 20.002 -16.873 139 HE2 LYS 22 1HE LYS 22 -2.952 21.754 -15.648 140 HE3 LYS 22 2HE LYS 22 -2.592 20.846 -14.194 141 HZ1 LYS 22 1HZ LYS 22 -0.426 21.770 -14.155 142 HZ2 LYS 22 2HZ LYS 22 -0.609 22.482 -15.613 143 HZ3 LYS 22 3HZ LYS 22 -1.476 23.008 -14.333 144 H ASP 23 H ASP 23 2.365 16.688 -16.274 145 HA ASP 23 HA ASP 23 3.006 18.393 -18.396 146 HB2 ASP 23 1HB ASP 23 4.375 17.041 -16.356 147 HB3 ASP 23 2HB ASP 23 4.961 16.250 -17.806 148 H GLY 24 H GLY 24 3.575 14.803 -18.035 149 HA2 GLY 24 1HA GLY 24 2.365 13.469 -19.815 150 HA3 GLY 24 2HA GLY 24 3.182 14.525 -20.950 151 H ASP 25 H ASP 25 5.570 14.654 -18.940 152 HA ASP 25 HA ASP 25 7.066 12.692 -20.203 153 HB2 ASP 25 1HB ASP 25 7.632 14.118 -17.561 154 HB3 ASP 25 2HB ASP 25 8.828 13.302 -18.549 155 H ARG 26 H ARG 26 4.978 12.716 -17.373 156 HA ARG 26 HA ARG 26 6.088 10.153 -16.558 157 HB2 ARG 26 1HB ARG 26 4.668 12.367 -15.048 158 HB3 ARG 26 2HB ARG 26 4.577 10.730 -14.431 159 HG2 ARG 26 1HG ARG 26 7.297 11.752 -15.218 160 HG3 ARG 26 2HG ARG 26 6.583 12.418 -13.763 161 HD2 ARG 26 1HD ARG 26 6.701 10.406 -12.607 162 HD3 ARG 26 2HD ARG 26 6.423 9.437 -14.041 163 HE ARG 26 HE ARG 26 8.925 10.595 -14.474 164 HH11 ARG 26 2HH2 ARG 26 7.506 8.581 -11.961 165 HH12 ARG 26 1HH2 ARG 26 9.007 7.827 -11.539 166 HH21 ARG 26 2HH1 ARG 26 10.906 9.600 -13.918 167 HH22 ARG 26 1HH1 ARG 26 10.954 8.410 -12.660 168 H LEU 27 H LEU 27 4.522 8.425 -15.980 169 HA LEU 27 HA LEU 27 1.928 8.841 -17.299 170 HB2 LEU 27 1HB LEU 27 3.885 7.159 -18.125 171 HB3 LEU 27 2HB LEU 27 3.002 6.100 -17.044 172 HG LEU 27 HG LEU 27 1.765 5.633 -18.850 173 HD11 LEU 27 1HD1 LEU 27 -0.259 6.674 -18.834 174 HD12 LEU 27 2HD1 LEU 27 0.420 7.357 -17.337 175 HD13 LEU 27 3HD1 LEU 27 0.448 8.308 -18.841 176 HD21 LEU 27 1HD2 LEU 27 2.631 6.355 -20.762 177 HD22 LEU 27 2HD2 LEU 27 1.640 7.824 -20.598 178 HD23 LEU 27 3HD2 LEU 27 3.307 7.802 -19.976 179 H ILE 28 H ILE 28 0.327 9.017 -15.832 180 HA ILE 28 HA ILE 28 0.716 7.722 -13.250 181 HB ILE 28 HB ILE 28 -1.449 9.649 -14.076 182 HG12 ILE 28 1HG1 ILE 28 0.716 10.693 -14.512 183 HG13 ILE 28 2HG1 ILE 28 -0.091 11.445 -13.150 184 HG21 ILE 28 1HG2 ILE 28 -2.251 9.231 -12.051 185 HG22 ILE 28 2HG2 ILE 28 -0.881 8.155 -11.683 186 HG23 ILE 28 3HG2 ILE 28 -0.755 9.900 -11.356 187 HD11 ILE 28 1HD1 ILE 28 2.238 11.121 -12.545 188 HD12 ILE 28 2HD1 ILE 28 1.273 9.960 -11.602 189 HD13 ILE 28 3HD1 ILE 28 2.178 9.411 -13.032 190 H GLY 29 H GLY 29 -0.157 5.766 -12.857 191 HA2 GLY 29 1HA GLY 29 -2.415 4.924 -14.571 192 HA3 GLY 29 2HA GLY 29 -1.193 3.856 -13.910 193 H ARG 30 H ARG 30 -4.337 4.429 -13.591 194 HA ARG 30 HA ARG 30 -4.239 4.245 -10.686 195 HB2 ARG 30 1HB ARG 30 -5.745 6.010 -12.376 196 HB3 ARG 30 2HB ARG 30 -6.900 4.889 -11.683 197 HG2 ARG 30 1HG ARG 30 -6.291 5.476 -9.431 198 HG3 ARG 30 2HG ARG 30 -4.816 6.268 -9.947 199 HD2 ARG 30 1HD ARG 30 -6.332 8.059 -9.490 200 HD3 ARG 30 2HD ARG 30 -6.314 7.934 -11.238 201 HE ARG 30 HE ARG 30 -8.393 6.289 -9.990 202 HH11 ARG 30 2HH2 ARG 30 -7.604 9.489 -11.224 203 HH12 ARG 30 1HH2 ARG 30 -9.256 9.927 -11.506 204 HH21 ARG 30 2HH1 ARG 30 -10.572 6.867 -10.363 205 HH22 ARG 30 1HH1 ARG 30 -10.956 8.426 -11.013 206 H ILE 31 H ILE 31 -4.610 2.147 -10.038 207 HA ILE 31 HA ILE 31 -6.304 0.497 -11.768 208 HB ILE 31 HB ILE 31 -4.039 -0.090 -9.895 209 HG12 ILE 31 1HG1 ILE 31 -3.889 -1.660 -12.195 210 HG13 ILE 31 2HG1 ILE 31 -4.524 -0.133 -12.775 211 HG21 ILE 31 1HG2 ILE 31 -6.197 -2.017 -10.777 212 HG22 ILE 31 2HG2 ILE 31 -4.587 -2.530 -10.215 213 HG23 ILE 31 3HG2 ILE 31 -5.668 -1.635 -9.121 214 HD11 ILE 31 1HD1 ILE 31 -2.554 0.954 -12.413 215 HD12 ILE 31 2HD1 ILE 31 -2.346 0.216 -10.807 216 HD13 ILE 31 3HD1 ILE 31 -1.844 -0.672 -12.266 217 H LEU 32 H LEU 32 -7.849 -0.987 -10.702 218 HA LEU 32 HA LEU 32 -8.602 -0.168 -8.012 219 HB2 LEU 32 1HB LEU 32 -9.861 1.319 -9.436 220 HB3 LEU 32 2HB LEU 32 -10.427 -0.021 -10.413 221 HG LEU 32 HG LEU 32 -12.092 0.927 -8.784 222 HD11 LEU 32 1HD1 LEU 32 -13.173 -1.040 -8.757 223 HD12 LEU 32 2HD1 LEU 32 -11.771 -1.620 -9.688 224 HD13 LEU 32 3HD1 LEU 32 -11.842 -1.884 -7.930 225 HD21 LEU 32 1HD2 LEU 32 -10.018 0.756 -6.964 226 HD22 LEU 32 2HD2 LEU 32 -11.731 1.057 -6.588 227 HD23 LEU 32 3HD2 LEU 32 -11.081 -0.598 -6.508 228 H LEU 33 H LEU 33 -9.605 -1.821 -6.818 229 HA LEU 33 HA LEU 33 -10.032 -4.328 -8.265 230 HB2 LEU 33 1HB LEU 33 -8.537 -4.146 -5.651 231 HB3 LEU 33 2HB LEU 33 -8.847 -5.584 -6.604 232 HG LEU 33 HG LEU 33 -7.285 -3.332 -7.828 233 HD11 LEU 33 1HD1 LEU 33 -5.654 -5.381 -6.483 234 HD12 LEU 33 2HD1 LEU 33 -5.411 -3.624 -6.632 235 HD13 LEU 33 3HD1 LEU 33 -6.508 -4.269 -5.387 236 HD21 LEU 33 1HD2 LEU 33 -6.482 -4.918 -9.292 237 HD22 LEU 33 2HD2 LEU 33 -6.732 -6.262 -8.151 238 HD23 LEU 33 3HD2 LEU 33 -8.125 -5.526 -8.979 239 H ASN 34 H ASN 34 -11.746 -5.583 -7.487 240 HA ASN 34 HA ASN 34 -13.204 -4.315 -5.302 241 HB2 ASN 34 1HB ASN 34 -14.274 -4.134 -7.628 242 HB3 ASN 34 2HB ASN 34 -14.402 -5.881 -7.646 243 HD21 ASN 34 1HD2 ASN 34 -16.647 -5.712 -7.799 244 HD22 ASN 34 2HD2 ASN 34 -17.652 -5.347 -6.436 245 H LYS 35 H LYS 35 -14.149 -5.795 -3.746 246 HA LYS 35 HA LYS 35 -13.264 -8.575 -4.083 247 HB2 LYS 35 1HB LYS 35 -13.806 -7.204 -1.445 248 HB3 LYS 35 2HB LYS 35 -12.967 -8.715 -1.732 249 HG2 LYS 35 1HG LYS 35 -11.043 -7.635 -2.616 250 HG3 LYS 35 2HG LYS 35 -11.915 -6.160 -2.981 251 HD2 LYS 35 1HD LYS 35 -10.987 -5.388 -1.036 252 HD3 LYS 35 2HD LYS 35 -12.282 -6.276 -0.260 253 HE2 LYS 35 1HE LYS 35 -9.621 -7.599 -0.928 254 HE3 LYS 35 2HE LYS 35 -9.859 -6.723 0.571 255 HZ1 LYS 35 1HZ LYS 35 -11.690 -8.175 1.078 256 HZ2 LYS 35 2HZ LYS 35 -11.516 -8.974 -0.336 257 HZ3 LYS 35 3HZ LYS 35 -10.346 -9.061 0.800 258 H ARG 36 H ARG 36 -15.938 -6.340 -3.526 259 HA ARG 36 HA ARG 36 -17.772 -7.921 -2.371 260 HB2 ARG 36 1HB ARG 36 -18.068 -5.873 -4.614 261 HB3 ARG 36 2HB ARG 36 -19.465 -6.609 -3.854 262 HG2 ARG 36 1HG ARG 36 -18.912 -5.686 -1.694 263 HG3 ARG 36 2HG ARG 36 -17.292 -5.256 -2.205 264 HD2 ARG 36 1HD ARG 36 -19.910 -3.972 -3.100 265 HD3 ARG 36 2HD ARG 36 -18.611 -3.217 -2.199 266 HE ARG 36 HE ARG 36 -17.334 -4.017 -4.505 267 HH11 ARG 36 2HH2 ARG 36 -20.274 -2.178 -3.911 268 HH12 ARG 36 1HH2 ARG 36 -20.141 -1.251 -5.368 269 HH21 ARG 36 2HH1 ARG 36 -17.157 -2.794 -6.427 270 HH22 ARG 36 1HH1 ARG 36 -18.355 -1.604 -6.809 271 H LEU 37 H LEU 37 -18.526 -9.954 -2.876 272 HA LEU 37 HA LEU 37 -17.918 -11.291 -5.197 273 HB2 LEU 37 1HB LEU 37 -20.270 -11.760 -3.360 274 HB3 LEU 37 2HB LEU 37 -19.584 -12.918 -4.483 275 HG LEU 37 HG LEU 37 -17.656 -11.806 -2.538 276 HD11 LEU 37 1HD1 LEU 37 -18.512 -12.570 -0.583 277 HD12 LEU 37 2HD1 LEU 37 -20.048 -12.204 -1.404 278 HD13 LEU 37 3HD1 LEU 37 -19.437 -13.876 -1.362 279 HD21 LEU 37 1HD2 LEU 37 -18.009 -14.142 -4.169 280 HD22 LEU 37 2HD2 LEU 37 -16.572 -13.593 -3.274 281 HD23 LEU 37 3HD2 LEU 37 -17.778 -14.629 -2.473 282 H LYS 38 H LYS 38 -20.097 -12.382 -6.415 283 HA LYS 38 HA LYS 38 -20.858 -10.308 -8.165 284 HB2 LYS 38 1HB LYS 38 -20.842 -13.134 -8.144 285 HB3 LYS 38 2HB LYS 38 -22.512 -12.667 -8.395 286 HG2 LYS 38 1HG LYS 38 -21.933 -12.374 -10.580 287 HG3 LYS 38 2HG LYS 38 -21.185 -10.879 -10.053 288 HD2 LYS 38 1HD LYS 38 -19.459 -13.242 -9.606 289 HD3 LYS 38 2HD LYS 38 -19.873 -13.015 -11.293 290 HE2 LYS 38 1HE LYS 38 -18.974 -10.618 -9.678 291 HE3 LYS 38 2HE LYS 38 -17.769 -11.765 -10.230 292 HZ1 LYS 38 1HZ LYS 38 -17.950 -10.975 -12.265 293 HZ2 LYS 38 2HZ LYS 38 -19.575 -11.127 -12.295 294 HZ3 LYS 38 3HZ LYS 38 -18.894 -9.771 -11.694 295 H ASP 39 H ASP 39 -22.384 -11.911 -5.353 296 HA ASP 39 HA ASP 39 -24.947 -11.141 -5.697 297 HB2 ASP 39 1HB ASP 39 -23.480 -12.290 -3.674 298 HB3 ASP 39 2HB ASP 39 -23.836 -10.735 -2.949 299 H GLY 40 H GLY 40 -22.212 -9.323 -4.128 300 HA2 GLY 40 1HA GLY 40 -22.195 -6.917 -4.858 301 HA3 GLY 40 2HA GLY 40 -23.843 -6.861 -4.266 302 H SER 41 H SER 41 -20.999 -8.615 -2.871 303 HA SER 41 HA SER 41 -20.480 -6.700 -0.926 304 HB2 SER 41 1HB SER 41 -22.479 -8.840 -0.217 305 HB3 SER 41 2HB SER 41 -21.313 -8.369 1.003 306 HG SER 41 HG SER 41 -23.442 -7.156 0.898 307 H VAL 42 H VAL 42 -18.487 -7.195 0.049 308 HA VAL 42 HA VAL 42 -17.258 -9.646 -0.882 309 HB VAL 42 HB VAL 42 -16.043 -7.616 -1.196 310 HG11 VAL 42 1HG1 VAL 42 -16.530 -5.926 0.207 311 HG12 VAL 42 2HG1 VAL 42 -16.962 -7.028 1.537 312 HG13 VAL 42 3HG1 VAL 42 -15.256 -6.613 1.243 313 HG21 VAL 42 1HG2 VAL 42 -14.543 -9.367 -0.788 314 HG22 VAL 42 2HG2 VAL 42 -13.996 -8.082 0.315 315 HG23 VAL 42 3HG2 VAL 42 -14.953 -9.446 0.942 316 HA PRO 43 HA PRO 43 -17.739 -11.650 2.922 317 HB2 PRO 43 1HB PRO 43 -15.882 -13.637 2.659 318 HB3 PRO 43 2HB PRO 43 -17.477 -13.716 1.939 319 HG2 PRO 43 1HG PRO 43 -14.879 -13.185 0.633 320 HG3 PRO 43 2HG PRO 43 -16.392 -13.684 -0.096 321 HD2 PRO 43 1HD PRO 43 -15.258 -11.050 -0.127 322 HD3 PRO 43 2HD PRO 43 -16.824 -11.524 -0.754 323 H ARG 44 H ARG 44 -16.706 -12.300 4.985 324 HA ARG 44 HA ARG 44 -15.452 -10.306 6.118 325 HB2 ARG 44 1HB ARG 44 -15.613 -13.193 6.604 326 HB3 ARG 44 2HB ARG 44 -14.086 -12.565 7.194 327 HG2 ARG 44 1HG ARG 44 -15.900 -10.622 8.050 328 HG3 ARG 44 2HG ARG 44 -16.831 -12.098 8.208 329 HD2 ARG 44 1HD ARG 44 -14.075 -12.444 9.196 330 HD3 ARG 44 2HD ARG 44 -14.902 -11.141 10.026 331 HE ARG 44 HE ARG 44 -16.731 -13.299 9.897 332 HH11 ARG 44 2HH2 ARG 44 -13.604 -12.609 11.355 333 HH12 ARG 44 1HH2 ARG 44 -13.842 -13.692 12.686 334 HH21 ARG 44 2HH1 ARG 44 -17.046 -14.728 11.652 335 HH22 ARG 44 1HH1 ARG 44 -15.813 -14.906 12.856 336 H ASP 45 H ASP 45 -13.773 -13.009 4.366 337 HA ASP 45 HA ASP 45 -11.577 -11.175 3.926 338 HB2 ASP 45 1HB ASP 45 -10.061 -13.310 4.273 339 HB3 ASP 45 2HB ASP 45 -10.559 -12.364 5.662 340 H SER 46 H SER 46 -11.170 -11.204 1.708 341 HA SER 46 HA SER 46 -11.747 -13.706 0.327 342 HB2 SER 46 1HB SER 46 -13.495 -11.965 -0.123 343 HB3 SER 46 2HB SER 46 -12.252 -10.888 -0.728 344 HG SER 46 HG SER 46 -12.896 -11.835 -2.587 345 H GLY 47 H GLY 47 -10.337 -10.449 -0.496 346 HA2 GLY 47 1HA GLY 47 -7.793 -11.803 -1.134 347 HA3 GLY 47 2HA GLY 47 -8.561 -10.741 -2.296 348 H ALA 48 H ALA 48 -7.558 -10.792 1.198 349 HA ALA 48 HA ALA 48 -7.544 -8.052 1.571 350 HB1 ALA 48 1HB ALA 48 -5.752 -8.728 3.350 351 HB2 ALA 48 2HB ALA 48 -7.399 -9.388 3.494 352 HB3 ALA 48 3HB ALA 48 -6.093 -10.392 2.818 353 H MET 49 H MET 49 -4.856 -10.271 0.554 354 HA MET 49 HA MET 49 -3.168 -8.014 0.094 355 HB2 MET 49 1HB MET 49 -2.953 -10.941 0.303 356 HB3 MET 49 2HB MET 49 -2.063 -10.369 -1.094 357 HG2 MET 49 1HG MET 49 -1.483 -8.546 1.046 358 HG3 MET 49 2HG MET 49 -1.352 -10.161 1.715 359 HE1 MET 49 1HE MET 49 0.797 -7.703 -0.999 360 HE2 MET 49 2HE MET 49 0.206 -7.531 0.671 361 HE3 MET 49 3HE MET 49 1.860 -8.114 0.368 362 H LEU 50 H LEU 50 -5.770 -9.210 -1.571 363 HA LEU 50 HA LEU 50 -6.518 -8.922 -3.629 364 HB2 LEU 50 1HB LEU 50 -4.002 -7.292 -3.990 365 HB3 LEU 50 2HB LEU 50 -5.273 -7.420 -5.191 366 HG LEU 50 HG LEU 50 -5.364 -5.343 -3.835 367 HD11 LEU 50 1HD1 LEU 50 -7.368 -6.400 -4.947 368 HD12 LEU 50 2HD1 LEU 50 -7.810 -7.053 -3.352 369 HD13 LEU 50 3HD1 LEU 50 -7.724 -5.293 -3.599 370 HD21 LEU 50 1HD2 LEU 50 -6.195 -7.113 -1.524 371 HD22 LEU 50 2HD2 LEU 50 -4.572 -6.407 -1.709 372 HD23 LEU 50 3HD2 LEU 50 -5.989 -5.345 -1.530 373 H GLY 51 H GLY 51 -2.918 -9.368 -3.920 374 HA2 GLY 51 1HA GLY 51 -2.802 -11.983 -4.572 375 HA3 GLY 51 2HA GLY 51 -3.290 -11.247 -6.085 376 H LEU 52 H LEU 52 -1.830 -8.644 -5.220 377 HA LEU 52 HA LEU 52 0.780 -9.546 -6.158 378 HB2 LEU 52 1HB LEU 52 0.950 -7.609 -7.249 379 HB3 LEU 52 2HB LEU 52 -0.796 -7.603 -7.097 380 HG LEU 52 HG LEU 52 -0.340 -6.279 -4.880 381 HD11 LEU 52 1HD1 LEU 52 2.320 -6.573 -5.908 382 HD12 LEU 52 2HD1 LEU 52 1.875 -4.849 -5.910 383 HD13 LEU 52 3HD1 LEU 52 1.769 -5.794 -4.405 384 HD21 LEU 52 1HD2 LEU 52 -1.498 -5.449 -6.918 385 HD22 LEU 52 2HD2 LEU 52 -0.558 -4.198 -6.069 386 HD23 LEU 52 3HD2 LEU 52 0.079 -4.931 -7.560 387 H LYS 53 H LYS 53 2.728 -8.359 -5.196 388 HA LYS 53 HA LYS 53 2.287 -8.039 -2.308 389 HB2 LYS 53 1HB LYS 53 3.642 -10.107 -3.434 390 HB3 LYS 53 2HB LYS 53 4.948 -8.954 -3.250 391 HG2 LYS 53 1HG LYS 53 3.515 -8.769 -0.820 392 HG3 LYS 53 2HG LYS 53 3.514 -10.482 -1.190 393 HD2 LYS 53 1HD LYS 53 5.823 -10.678 -0.995 394 HD3 LYS 53 2HD LYS 53 6.123 -9.052 -1.576 395 HE2 LYS 53 1HE LYS 53 6.685 -9.018 0.760 396 HE3 LYS 53 2HE LYS 53 5.148 -8.186 0.635 397 HZ1 LYS 53 1HZ LYS 53 5.745 -10.713 1.841 398 HZ2 LYS 53 2HZ LYS 53 4.572 -9.636 2.203 399 HZ3 LYS 53 3HZ LYS 53 4.360 -10.692 0.975 400 H VAL 54 H VAL 54 2.728 -6.038 -1.564 401 HA VAL 54 HA VAL 54 4.424 -4.354 -3.268 402 HB VAL 54 HB VAL 54 2.342 -3.577 -1.217 403 HG11 VAL 54 1HG1 VAL 54 2.746 -1.438 -2.934 404 HG12 VAL 54 2HG1 VAL 54 3.394 -1.599 -1.284 405 HG13 VAL 54 3HG1 VAL 54 4.387 -2.078 -2.681 406 HG21 VAL 54 1HG2 VAL 54 1.131 -4.555 -2.990 407 HG22 VAL 54 2HG2 VAL 54 1.091 -2.806 -3.319 408 HG23 VAL 54 3HG2 VAL 54 2.206 -3.856 -4.225 409 H VAL 55 H VAL 55 6.042 -3.015 -2.258 410 HA VAL 55 HA VAL 55 6.656 -3.763 0.506 411 HB VAL 55 HB VAL 55 8.377 -4.031 -1.936 412 HG11 VAL 55 1HG1 VAL 55 9.235 -3.119 0.770 413 HG12 VAL 55 2HG1 VAL 55 10.231 -4.363 -0.023 414 HG13 VAL 55 3HG1 VAL 55 9.947 -2.801 -0.830 415 HG21 VAL 55 1HG2 VAL 55 7.993 -5.765 0.529 416 HG22 VAL 55 2HG2 VAL 55 7.220 -6.015 -1.055 417 HG23 VAL 55 3HG2 VAL 55 8.986 -6.164 -0.893 418 H GLY 56 H GLY 56 6.533 -1.905 1.649 419 HA2 GLY 56 1HA GLY 56 7.191 0.613 0.279 420 HA3 GLY 56 2HA GLY 56 6.248 0.426 1.745 421 H GLY 57 H GLY 57 7.873 2.231 2.378 422 HA2 GLY 57 1HA GLY 57 9.575 2.863 3.701 423 HA3 GLY 57 2HA GLY 57 9.707 1.198 4.230 424 H LYS 58 H LYS 58 9.928 1.506 0.790 425 HA LYS 58 HA LYS 58 12.643 0.663 0.840 426 HB2 LYS 58 1HB LYS 58 11.094 -0.209 -0.808 427 HB3 LYS 58 2HB LYS 58 10.767 1.398 -1.425 428 HG2 LYS 58 1HG LYS 58 12.622 1.366 -2.738 429 HG3 LYS 58 2HG LYS 58 13.647 0.905 -1.394 430 HD2 LYS 58 1HD LYS 58 13.882 -1.023 -2.642 431 HD3 LYS 58 2HD LYS 58 12.433 -1.480 -1.770 432 HE2 LYS 58 1HE LYS 58 11.157 -1.452 -3.662 433 HE3 LYS 58 2HE LYS 58 11.786 0.105 -4.163 434 HZ1 LYS 58 1HZ LYS 58 13.635 -2.079 -4.380 435 HZ2 LYS 58 2HZ LYS 58 12.348 -2.167 -5.381 436 HZ3 LYS 58 3HZ LYS 58 13.329 -0.863 -5.426 437 H MET 59 H MET 59 14.411 1.920 1.026 438 HA MET 59 HA MET 59 14.066 4.749 0.800 439 HB2 MET 59 1HB MET 59 15.575 3.179 2.434 440 HB3 MET 59 2HB MET 59 16.766 3.431 1.173 441 HG2 MET 59 1HG MET 59 17.244 5.311 2.432 442 HG3 MET 59 2HG MET 59 15.962 6.003 1.458 443 HE1 MET 59 1HE MET 59 13.578 7.161 3.127 444 HE2 MET 59 2HE MET 59 14.817 7.800 4.234 445 HE3 MET 59 3HE MET 59 15.188 7.595 2.505 446 H THR 60 H THR 60 14.248 5.810 -1.122 447 HA THR 60 HA THR 60 15.600 4.512 -3.324 448 HB THR 60 HB THR 60 14.571 6.329 -4.612 449 HG1 THR 60 1HG THR 60 13.695 7.394 -2.048 450 HG21 THR 60 1HG2 THR 60 12.182 6.349 -3.685 451 HG22 THR 60 2HG2 THR 60 12.851 4.722 -3.951 452 HG23 THR 60 3HG2 THR 60 12.786 5.399 -2.306 453 H GLU 61 H GLU 61 16.640 6.694 -4.730 454 HA GLU 61 HA GLU 61 19.087 6.958 -3.278 455 HB2 GLU 61 1HB GLU 61 20.014 7.773 -5.357 456 HB3 GLU 61 2HB GLU 61 18.973 6.416 -5.740 457 HG2 GLU 61 1HG GLU 61 17.098 8.197 -6.115 458 HG3 GLU 61 2HG GLU 61 18.392 9.379 -6.117 459 H SER 62 H SER 62 16.160 8.719 -3.585 460 HA SER 62 HA SER 62 17.504 11.240 -3.098 461 HB2 SER 62 1HB SER 62 15.290 10.597 -4.642 462 HB3 SER 62 2HB SER 62 14.539 11.208 -3.181 463 HG SER 62 HG SER 62 16.692 12.660 -4.420 464 H GLY 63 H GLY 63 17.020 8.748 -1.223 465 HA2 GLY 63 1HA GLY 63 16.704 8.452 0.983 466 HA3 GLY 63 2HA GLY 63 16.725 10.194 1.173 467 H ARG 64 H ARG 64 14.386 8.986 -1.126 468 HA ARG 64 HA ARG 64 12.323 9.691 0.764 469 HB2 ARG 64 1HB ARG 64 12.649 9.777 -2.173 470 HB3 ARG 64 2HB ARG 64 11.097 9.111 -1.706 471 HG2 ARG 64 1HG ARG 64 10.564 11.088 -0.372 472 HG3 ARG 64 2HG ARG 64 12.188 11.719 -0.559 473 HD2 ARG 64 1HD ARG 64 11.822 11.918 -3.033 474 HD3 ARG 64 2HD ARG 64 10.196 11.294 -2.841 475 HE ARG 64 HE ARG 64 9.508 13.372 -1.990 476 HH11 ARG 64 2HH2 ARG 64 13.024 13.219 -2.020 477 HH12 ARG 64 1HH2 ARG 64 13.227 14.893 -1.627 478 HH21 ARG 64 2HH1 ARG 64 9.776 15.582 -1.471 479 HH22 ARG 64 1HH1 ARG 64 11.368 16.246 -1.313 480 H LEU 65 H LEU 65 10.264 8.300 0.756 481 HA LEU 65 HA LEU 65 11.005 5.478 0.405 482 HB2 LEU 65 1HB LEU 65 9.138 6.688 2.449 483 HB3 LEU 65 2HB LEU 65 9.507 4.985 2.266 484 HG LEU 65 HG LEU 65 11.591 7.077 2.935 485 HD11 LEU 65 1HD1 LEU 65 9.499 6.334 4.586 486 HD12 LEU 65 2HD1 LEU 65 10.831 5.273 5.101 487 HD13 LEU 65 3HD1 LEU 65 11.051 7.039 5.097 488 HD21 LEU 65 1HD2 LEU 65 12.450 4.658 3.918 489 HD22 LEU 65 2HD2 LEU 65 11.656 4.196 2.394 490 HD23 LEU 65 3HD2 LEU 65 12.965 5.402 2.385 491 H CYS 66 H CYS 66 9.559 4.116 -0.660 492 HA CYS 66 HA CYS 66 6.955 5.100 -1.327 493 HB2 CYS 66 1HB CYS 66 8.874 5.919 -3.074 494 HB3 CYS 66 2HB CYS 66 8.461 4.369 -3.780 495 HG CYS 66 HG CYS 66 7.159 6.757 -4.602 496 H ALA 67 H ALA 67 5.719 3.319 -2.518 497 HA ALA 67 HA ALA 67 6.848 0.720 -1.750 498 HB1 ALA 67 1HB ALA 67 4.043 0.607 -2.353 499 HB2 ALA 67 2HB ALA 67 4.852 0.369 -0.785 500 HB3 ALA 67 3HB ALA 67 4.329 1.997 -1.279 501 H PHE 68 H PHE 68 7.445 -0.661 -3.346 502 HA PHE 68 HA PHE 68 6.327 -0.131 -6.010 503 HB2 PHE 68 1HB PHE 68 9.055 -1.333 -5.269 504 HB3 PHE 68 2HB PHE 68 8.560 -0.784 -6.858 505 HD1 PHE 68 2HD PHE 68 9.671 0.278 -3.532 506 HD2 PHE 68 1HD PHE 68 8.584 1.567 -7.426 507 HE1 PHE 68 2HE PHE 68 10.661 2.536 -3.061 508 HE2 PHE 68 1HE PHE 68 9.573 3.825 -6.955 509 HZ PHE 68 HZ PHE 68 10.600 4.283 -4.778 510 H ILE 69 H ILE 69 5.709 -1.927 -7.268 511 HA ILE 69 HA ILE 69 4.908 -4.194 -5.833 512 HB ILE 69 HB ILE 69 5.145 -3.698 -8.802 513 HG12 ILE 69 1HG1 ILE 69 2.786 -3.407 -6.917 514 HG13 ILE 69 2HG1 ILE 69 3.706 -2.087 -7.614 515 HG21 ILE 69 1HG2 ILE 69 3.225 -5.683 -7.690 516 HG22 ILE 69 2HG2 ILE 69 4.081 -5.654 -9.251 517 HG23 ILE 69 3HG2 ILE 69 4.940 -6.151 -7.773 518 HD11 ILE 69 1HD1 ILE 69 2.796 -4.011 -9.657 519 HD12 ILE 69 2HD1 ILE 69 1.453 -3.273 -8.751 520 HD13 ILE 69 3HD1 ILE 69 2.622 -2.240 -9.609 521 H THR 70 H THR 70 5.763 -6.266 -5.632 522 HA THR 70 HA THR 70 8.536 -6.529 -6.594 523 HB THR 70 HB THR 70 8.762 -8.040 -4.561 524 HG1 THR 70 1HG THR 70 6.237 -6.780 -3.833 525 HG21 THR 70 1HG2 THR 70 8.213 -5.121 -4.471 526 HG22 THR 70 2HG2 THR 70 7.894 -5.951 -2.929 527 HG23 THR 70 3HG2 THR 70 9.507 -6.050 -3.676 528 H LYS 71 H LYS 71 5.434 -8.274 -5.989 529 HA LYS 71 HA LYS 71 5.974 -9.855 -8.338 530 HB2 LYS 71 1HB LYS 71 7.168 -11.123 -6.613 531 HB3 LYS 71 2HB LYS 71 5.729 -11.165 -5.614 532 HG2 LYS 71 1HG LYS 71 4.894 -12.935 -6.763 533 HG3 LYS 71 2HG LYS 71 5.065 -12.095 -8.291 534 HD2 LYS 71 1HD LYS 71 7.703 -12.716 -7.732 535 HD3 LYS 71 2HD LYS 71 6.877 -14.083 -7.010 536 HE2 LYS 71 1HE LYS 71 5.522 -14.024 -9.349 537 HE3 LYS 71 2HE LYS 71 6.987 -13.238 -9.901 538 HZ1 LYS 71 1HZ LYS 71 7.725 -15.412 -8.357 539 HZ2 LYS 71 2HZ LYS 71 6.581 -15.935 -9.399 540 HZ3 LYS 71 3HZ LYS 71 7.929 -15.208 -9.964 541 H VAL 72 H VAL 72 4.062 -10.670 -9.278 542 HA VAL 72 HA VAL 72 1.603 -10.125 -7.791 543 HB VAL 72 HB VAL 72 1.522 -8.225 -9.018 544 HG11 VAL 72 1HG1 VAL 72 3.437 -9.628 -10.816 545 HG12 VAL 72 2HG1 VAL 72 2.428 -8.358 -11.549 546 HG13 VAL 72 3HG1 VAL 72 3.475 -7.974 -10.161 547 HG21 VAL 72 1HG2 VAL 72 0.063 -8.472 -10.910 548 HG22 VAL 72 2HG2 VAL 72 0.604 -10.146 -11.180 549 HG23 VAL 72 3HG2 VAL 72 -0.350 -9.742 -9.732 550 H LYS 73 H LYS 73 0.651 -12.083 -7.593 551 HA LYS 73 HA LYS 73 1.312 -14.302 -9.090 552 HB2 LYS 73 1HB LYS 73 0.182 -14.281 -6.871 553 HB3 LYS 73 2HB LYS 73 -1.297 -13.748 -7.646 554 HG2 LYS 73 1HG LYS 73 -1.799 -15.860 -8.311 555 HG3 LYS 73 2HG LYS 73 -0.234 -16.054 -9.073 556 HD2 LYS 73 1HD LYS 73 0.715 -16.461 -6.697 557 HD3 LYS 73 2HD LYS 73 -0.948 -16.575 -6.156 558 HE2 LYS 73 1HE LYS 73 -1.307 -18.376 -7.949 559 HE3 LYS 73 2HE LYS 73 0.423 -18.346 -8.231 560 HZ1 LYS 73 1HZ LYS 73 -0.990 -19.150 -5.805 561 HZ2 LYS 73 2HZ LYS 73 0.117 -19.987 -6.666 562 HZ3 LYS 73 3HZ LYS 73 0.585 -18.723 -5.745 563 H LYS 74 H LYS 74 0.334 -15.392 -10.860 564 HA LYS 74 HA LYS 74 -1.044 -13.551 -12.644 565 HB2 LYS 74 1HB LYS 74 1.042 -14.821 -13.319 566 HB3 LYS 74 2HB LYS 74 0.088 -16.290 -13.266 567 HG2 LYS 74 1HG LYS 74 -0.645 -15.857 -15.365 568 HG3 LYS 74 2HG LYS 74 -1.472 -14.435 -14.759 569 HD2 LYS 74 1HD LYS 74 -0.046 -13.126 -15.935 570 HD3 LYS 74 2HD LYS 74 1.279 -13.704 -14.944 571 HE2 LYS 74 1HE LYS 74 0.244 -15.146 -17.432 572 HE3 LYS 74 2HE LYS 74 1.629 -14.073 -17.423 573 HZ1 LYS 74 1HZ LYS 74 2.334 -15.653 -15.488 574 HZ2 LYS 74 2HZ LYS 74 1.364 -16.711 -16.268 575 HZ3 LYS 74 3HZ LYS 74 2.632 -16.039 -17.046 576 H GLY 75 H GLY 75 -3.213 -13.475 -12.288 577 HA2 GLY 75 1HA GLY 75 -5.224 -14.676 -12.938 578 HA3 GLY 75 2HA GLY 75 -4.603 -16.080 -12.092 579 H SER 76 H SER 76 -4.104 -12.815 -10.774 580 HA SER 76 HA SER 76 -6.174 -13.417 -8.809 581 HB2 SER 76 1HB SER 76 -4.707 -12.236 -7.125 582 HB3 SER 76 2HB SER 76 -4.047 -13.749 -7.715 583 HG SER 76 HG SER 76 -2.562 -12.651 -9.001 584 H LEU 77 H LEU 77 -6.727 -11.243 -7.520 585 HA LEU 77 HA LEU 77 -7.996 -9.528 -9.145 586 HB2 LEU 77 1HB LEU 77 -6.824 -9.257 -6.410 587 HB3 LEU 77 2HB LEU 77 -7.509 -7.840 -7.180 588 HG LEU 77 HG LEU 77 -9.153 -8.861 -5.744 589 HD11 LEU 77 1HD1 LEU 77 -10.767 -8.305 -7.162 590 HD12 LEU 77 2HD1 LEU 77 -9.550 -8.280 -8.461 591 HD13 LEU 77 3HD1 LEU 77 -10.483 -9.762 -8.144 592 HD21 LEU 77 1HD2 LEU 77 -8.307 -11.127 -5.651 593 HD22 LEU 77 2HD2 LEU 77 -10.015 -11.140 -6.150 594 HD23 LEU 77 3HD2 LEU 77 -8.733 -11.391 -7.359 595 H ALA 78 H ALA 78 -4.842 -8.600 -7.593 596 HA ALA 78 HA ALA 78 -4.432 -6.527 -9.472 597 HB1 ALA 78 1HB ALA 78 -2.041 -6.726 -8.377 598 HB2 ALA 78 2HB ALA 78 -3.421 -6.163 -7.404 599 HB3 ALA 78 3HB ALA 78 -2.860 -7.846 -7.263 600 H ASP 79 H ASP 79 -4.991 -8.272 -11.287 601 HA ASP 79 HA ASP 79 -2.668 -8.564 -12.747 602 HB2 ASP 79 1HB ASP 79 -2.464 -10.487 -10.994 603 HB3 ASP 79 2HB ASP 79 -3.785 -11.252 -11.855 604 H THR 80 H THR 80 -5.714 -10.461 -12.055 605 HA THR 80 HA THR 80 -6.368 -10.673 -14.828 606 HB THR 80 HB THR 80 -8.339 -11.852 -13.930 607 HG1 THR 80 1HG THR 80 -7.553 -10.146 -11.782 608 HG21 THR 80 1HG2 THR 80 -7.307 -13.493 -12.436 609 HG22 THR 80 2HG2 THR 80 -6.084 -13.028 -13.643 610 HG23 THR 80 3HG2 THR 80 -6.015 -12.348 -11.999 611 H VAL 81 H VAL 81 -7.031 -8.363 -12.237 612 HA VAL 81 HA VAL 81 -8.797 -6.953 -14.118 613 HB VAL 81 HB VAL 81 -9.756 -5.913 -12.042 614 HG11 VAL 81 1HG1 VAL 81 -10.418 -8.240 -13.359 615 HG12 VAL 81 2HG1 VAL 81 -10.373 -8.762 -11.657 616 HG13 VAL 81 3HG1 VAL 81 -11.426 -7.414 -12.147 617 HG21 VAL 81 1HG2 VAL 81 -8.483 -8.235 -10.573 618 HG22 VAL 81 2HG2 VAL 81 -7.776 -6.601 -10.595 619 HG23 VAL 81 3HG2 VAL 81 -9.393 -6.863 -9.898 620 H GLY 82 H GLY 82 -6.161 -6.764 -11.681 621 HA2 GLY 82 1HA GLY 82 -5.746 -3.943 -12.128 622 HA3 GLY 82 2HA GLY 82 -4.797 -5.025 -11.128 623 H HIS 83 H HIS 83 -4.349 -7.078 -13.209 624 HA HIS 83 HA HIS 83 -2.733 -7.569 -14.622 625 HB2 HIS 83 1HB HIS 83 -3.747 -5.089 -16.040 626 HB3 HIS 83 2HB HIS 83 -2.748 -6.333 -16.766 627 HD1 HIS 83 1HD HIS 83 -3.872 -8.710 -17.158 628 HD2 HIS 83 2HD HIS 83 -6.472 -5.692 -15.846 629 HE1 HIS 83 1HE HIS 83 -6.237 -9.572 -17.576 630 H LEU 84 H LEU 84 -1.968 -5.970 -12.294 631 HA LEU 84 HA LEU 84 -0.178 -3.940 -13.087 632 HB2 LEU 84 1HB LEU 84 -0.407 -5.558 -10.547 633 HB3 LEU 84 2HB LEU 84 0.663 -4.186 -10.752 634 HG LEU 84 HG LEU 84 -2.176 -3.666 -11.412 635 HD11 LEU 84 1HD1 LEU 84 -3.029 -4.637 -9.593 636 HD12 LEU 84 2HD1 LEU 84 -1.425 -4.899 -8.866 637 HD13 LEU 84 3HD1 LEU 84 -2.242 -3.329 -8.677 638 HD21 LEU 84 1HD2 LEU 84 -0.493 -1.899 -11.450 639 HD22 LEU 84 2HD2 LEU 84 -1.723 -1.583 -10.203 640 HD23 LEU 84 3HD2 LEU 84 -0.120 -2.198 -9.735 641 H ARG 85 H ARG 85 2.248 -4.472 -11.847 642 HA ARG 85 HA ARG 85 3.200 -6.984 -12.764 643 HB2 ARG 85 1HB ARG 85 3.627 -4.481 -14.349 644 HB3 ARG 85 2HB ARG 85 5.070 -5.439 -14.081 645 HG2 ARG 85 1HG ARG 85 4.380 -7.093 -15.499 646 HG3 ARG 85 2HG ARG 85 2.757 -7.108 -14.838 647 HD2 ARG 85 1HD ARG 85 1.946 -5.658 -16.435 648 HD3 ARG 85 2HD ARG 85 3.391 -4.666 -16.419 649 HE ARG 85 HE ARG 85 3.928 -7.264 -17.595 650 HH11 ARG 85 2HH2 ARG 85 2.503 -4.119 -18.274 651 HH12 ARG 85 1HH2 ARG 85 2.764 -4.228 -19.983 652 HH21 ARG 85 2HH1 ARG 85 4.273 -7.408 -19.849 653 HH22 ARG 85 1HH1 ARG 85 3.778 -6.111 -20.885 654 HA PRO 86 HA PRO 86 6.065 -5.988 -9.629 655 HB2 PRO 86 1HB PRO 86 8.054 -7.801 -10.103 656 HB3 PRO 86 2HB PRO 86 6.568 -8.206 -9.268 657 HG2 PRO 86 1HG PRO 86 7.378 -8.864 -12.034 658 HG3 PRO 86 2HG PRO 86 6.124 -9.597 -11.053 659 HD2 PRO 86 1HD PRO 86 5.754 -7.724 -13.194 660 HD3 PRO 86 2HD PRO 86 4.512 -8.368 -12.138 661 H GLY 87 H GLY 87 6.582 -3.847 -10.048 662 HA2 GLY 87 1HA GLY 87 9.185 -3.202 -10.366 663 HA3 GLY 87 2HA GLY 87 8.627 -3.331 -12.022 664 H ASP 88 H ASP 88 5.785 -2.534 -11.135 665 HA ASP 88 HA ASP 88 6.007 0.134 -11.749 666 HB2 ASP 88 1HB ASP 88 3.933 -1.767 -11.109 667 HB3 ASP 88 2HB ASP 88 3.629 -0.322 -10.164 668 H GLU 89 H GLU 89 4.679 1.777 -10.044 669 HA GLU 89 HA GLU 89 5.790 1.336 -7.400 670 HB2 GLU 89 1HB GLU 89 7.425 2.768 -8.512 671 HB3 GLU 89 2HB GLU 89 6.169 3.845 -9.088 672 HG2 GLU 89 1HG GLU 89 5.565 4.324 -6.657 673 HG3 GLU 89 2HG GLU 89 6.961 3.380 -6.176 674 H VAL 90 H VAL 90 3.889 1.119 -6.259 675 HA VAL 90 HA VAL 90 1.568 2.609 -6.984 676 HB VAL 90 HB VAL 90 1.344 0.391 -6.134 677 HG11 VAL 90 1HG1 VAL 90 1.942 0.357 -3.448 678 HG12 VAL 90 2HG1 VAL 90 2.961 -0.319 -4.741 679 HG13 VAL 90 3HG1 VAL 90 3.280 1.319 -4.121 680 HG21 VAL 90 1HG2 VAL 90 0.246 2.667 -4.570 681 HG22 VAL 90 2HG2 VAL 90 -0.590 1.367 -5.454 682 HG23 VAL 90 3HG2 VAL 90 0.082 1.053 -3.836 683 H LEU 91 H LEU 91 1.319 4.739 -6.570 684 HA LEU 91 HA LEU 91 2.932 5.978 -4.544 685 HB2 LEU 91 1HB LEU 91 0.793 7.121 -6.347 686 HB3 LEU 91 2HB LEU 91 1.894 8.043 -5.342 687 HG LEU 91 HG LEU 91 2.617 6.335 -7.737 688 HD11 LEU 91 1HD1 LEU 91 3.464 8.588 -8.575 689 HD12 LEU 91 2HD1 LEU 91 1.700 8.358 -8.511 690 HD13 LEU 91 3HD1 LEU 91 2.519 9.313 -7.252 691 HD21 LEU 91 1HD2 LEU 91 4.435 6.014 -6.301 692 HD22 LEU 91 2HD2 LEU 91 4.933 7.369 -7.342 693 HD23 LEU 91 3HD2 LEU 91 4.367 7.682 -5.684 694 H GLU 92 H GLU 92 -0.632 5.621 -5.169 695 HA GLU 92 HA GLU 92 -0.956 5.952 -2.288 696 HB2 GLU 92 1HB GLU 92 -2.804 6.701 -4.589 697 HB3 GLU 92 2HB GLU 92 -3.343 6.660 -2.923 698 HG2 GLU 92 1HG GLU 92 -2.039 8.500 -2.298 699 HG3 GLU 92 2HG GLU 92 -0.820 8.193 -3.519 700 H TRP 93 H TRP 93 -2.970 4.769 -1.399 701 HA TRP 93 HA TRP 93 -3.579 2.361 -2.933 702 HB2 TRP 93 1HB TRP 93 -1.685 1.729 -1.565 703 HB3 TRP 93 2HB TRP 93 -2.456 2.369 -0.127 704 HD1 TRP 93 HD TRP 93 -4.684 0.936 0.770 705 HE1 TRP 93 1HE TRP 93 -5.336 -1.617 0.628 706 HE3 TRP 93 3HE TRP 93 -1.487 -0.211 -3.015 707 HZ2 TRP 93 2HZ TRP 93 -4.462 -3.781 -1.014 708 HZ3 TRP 93 3HZ TRP 93 -1.449 -2.567 -3.828 709 HH2 TRP 93 HH TRP 93 -2.868 -4.323 -2.891 710 H ASN 94 H ASN 94 -5.705 3.147 -3.256 711 HA ASN 94 HA ASN 94 -7.822 3.265 -2.739 712 HB2 ASN 94 1HB ASN 94 -6.807 1.901 -0.453 713 HB3 ASN 94 2HB ASN 94 -7.786 3.200 0.200 714 HD21 ASN 94 1HD2 ASN 94 -8.304 0.401 0.332 715 HD22 ASN 94 2HD2 ASN 94 -9.804 0.076 -0.470 716 H GLY 95 H GLY 95 -5.487 5.387 -2.188 717 HA2 GLY 95 1HA GLY 95 -6.165 7.727 -2.233 718 HA3 GLY 95 2HA GLY 95 -7.238 7.390 -0.890 719 H ARG 96 H ARG 96 -4.916 5.405 0.047 720 HA ARG 96 HA ARG 96 -3.765 7.371 1.747 721 HB2 ARG 96 1HB ARG 96 -3.830 4.376 1.577 722 HB3 ARG 96 2HB ARG 96 -2.421 5.056 2.366 723 HG2 ARG 96 1HG ARG 96 -5.011 6.278 3.197 724 HG3 ARG 96 2HG ARG 96 -4.841 4.584 3.614 725 HD2 ARG 96 1HD ARG 96 -3.513 5.156 5.362 726 HD3 ARG 96 2HD ARG 96 -2.333 5.813 4.245 727 HE ARG 96 HE ARG 96 -3.109 7.983 4.712 728 HH11 ARG 96 2HH2 ARG 96 -5.398 5.615 5.953 729 HH12 ARG 96 1HH2 ARG 96 -6.332 6.786 6.823 730 HH21 ARG 96 2HH1 ARG 96 -4.341 9.527 5.860 731 HH22 ARG 96 1HH1 ARG 96 -5.727 9.026 6.770 732 H LEU 97 H LEU 97 -1.937 8.519 1.205 733 HA LEU 97 HA LEU 97 -0.397 7.804 -1.057 734 HB2 LEU 97 1HB LEU 97 -0.798 10.104 -0.417 735 HB3 LEU 97 2HB LEU 97 0.018 9.861 1.115 736 HG LEU 97 HG LEU 97 1.921 9.105 -0.785 737 HD11 LEU 97 1HD1 LEU 97 2.043 10.852 -2.413 738 HD12 LEU 97 2HD1 LEU 97 0.425 10.117 -2.517 739 HD13 LEU 97 3HD1 LEU 97 0.639 11.688 -1.707 740 HD21 LEU 97 1HD2 LEU 97 1.746 11.861 0.432 741 HD22 LEU 97 2HD2 LEU 97 2.105 10.412 1.401 742 HD23 LEU 97 3HD2 LEU 97 3.190 10.885 0.072 743 H LEU 98 H LEU 98 1.474 6.641 -1.242 744 HA LEU 98 HA LEU 98 2.425 5.419 1.238 745 HB2 LEU 98 1HB LEU 98 3.004 4.594 -1.606 746 HB3 LEU 98 2HB LEU 98 3.341 3.691 -0.142 747 HG LEU 98 HG LEU 98 0.646 4.260 -1.388 748 HD11 LEU 98 1HD1 LEU 98 2.384 2.263 -1.937 749 HD12 LEU 98 2HD1 LEU 98 1.461 1.525 -0.606 750 HD13 LEU 98 3HD1 LEU 98 0.615 2.110 -2.059 751 HD21 LEU 98 1HD2 LEU 98 1.308 3.725 1.422 752 HD22 LEU 98 2HD2 LEU 98 -0.184 4.358 0.687 753 HD23 LEU 98 3HD2 LEU 98 0.112 2.603 0.729 754 H GLN 99 H GLN 99 3.191 7.780 -1.213 755 HA GLN 99 HA GLN 99 5.934 7.621 -1.198 756 HB2 GLN 99 1HB GLN 99 3.878 9.631 -1.917 757 HB3 GLN 99 2HB GLN 99 5.422 10.335 -1.480 758 HG2 GLN 99 1HG GLN 99 6.436 8.487 -3.079 759 HG3 GLN 99 2HG GLN 99 4.807 8.380 -3.716 760 HE21 GLN 99 1HE2 GLN 99 5.692 9.112 -5.705 761 HE22 GLN 99 2HE2 GLN 99 5.974 10.795 -6.004 762 H GLY 100 H GLY 100 7.305 7.705 0.525 763 HA2 GLY 100 1HA GLY 100 8.363 8.947 2.203 764 HA3 GLY 100 2HA GLY 100 6.871 9.808 2.527 765 H ALA 101 H ALA 101 5.126 7.413 2.530 766 HA ALA 101 HA ALA 101 5.174 6.799 5.204 767 HB1 ALA 101 1HB ALA 101 3.971 5.573 2.734 768 HB2 ALA 101 2HB ALA 101 3.851 4.695 4.278 769 HB3 ALA 101 3HB ALA 101 3.171 6.333 4.129 770 H THR 102 H THR 102 5.811 4.886 6.396 771 HA THR 102 HA THR 102 8.308 3.802 5.386 772 HB THR 102 HB THR 102 8.719 3.305 7.675 773 HG1 THR 102 1HG THR 102 5.820 3.569 8.021 774 HG21 THR 102 1HG2 THR 102 8.157 5.240 8.932 775 HG22 THR 102 2HG2 THR 102 8.067 5.842 7.259 776 HG23 THR 102 3HG2 THR 102 6.576 5.412 8.131 777 H PHE 103 H PHE 103 8.683 1.362 6.035 778 HA PHE 103 HA PHE 103 7.218 -0.139 4.268 779 HB2 PHE 103 1HB PHE 103 9.435 -0.751 5.225 780 HB3 PHE 103 2HB PHE 103 8.760 -0.814 6.841 781 HD1 PHE 103 2HD PHE 103 8.908 -2.532 3.592 782 HD2 PHE 103 1HD PHE 103 7.583 -2.753 7.617 783 HE1 PHE 103 2HE PHE 103 8.460 -4.986 3.310 784 HE2 PHE 103 1HE PHE 103 7.135 -5.206 7.335 785 HZ PHE 103 HZ PHE 103 7.579 -6.293 5.185 786 H GLU 104 H GLU 104 6.868 0.085 7.875 787 HA GLU 104 HA GLU 104 4.826 -1.761 8.045 788 HB2 GLU 104 1HB GLU 104 5.498 0.633 9.807 789 HB3 GLU 104 2HB GLU 104 4.325 -0.590 10.250 790 HG2 GLU 104 1HG GLU 104 5.947 -2.068 10.858 791 HG3 GLU 104 2HG GLU 104 6.833 -1.827 9.364 792 H GLU 105 H GLU 105 4.747 1.839 7.663 793 HA GLU 105 HA GLU 105 2.073 2.213 7.891 794 HB2 GLU 105 1HB GLU 105 4.345 3.632 6.678 795 HB3 GLU 105 2HB GLU 105 2.845 3.969 5.838 796 HG2 GLU 105 1HG GLU 105 1.800 4.397 8.169 797 HG3 GLU 105 2HG GLU 105 3.433 4.363 8.802 798 H VAL 106 H VAL 106 3.835 1.876 4.718 799 HA VAL 106 HA VAL 106 1.722 1.717 3.060 800 HB VAL 106 HB VAL 106 4.265 0.081 2.991 801 HG11 VAL 106 1HG1 VAL 106 3.754 -0.661 0.929 802 HG12 VAL 106 2HG1 VAL 106 2.074 -0.269 1.367 803 HG13 VAL 106 3HG1 VAL 106 3.047 0.897 0.438 804 HG21 VAL 106 1HG2 VAL 106 3.577 2.873 2.051 805 HG22 VAL 106 2HG2 VAL 106 4.891 2.354 3.132 806 HG23 VAL 106 3HG2 VAL 106 4.959 1.961 1.398 807 H TYR 107 H TYR 107 3.183 -1.052 4.896 808 HA TYR 107 HA TYR 107 1.424 -2.990 3.970 809 HB2 TYR 107 1HB TYR 107 3.607 -3.201 5.314 810 HB3 TYR 107 2HB TYR 107 2.762 -2.580 6.718 811 HD1 TYR 107 1HD TYR 107 0.678 -3.937 7.527 812 HD2 TYR 107 2HD TYR 107 3.684 -5.509 4.920 813 HE1 TYR 107 1HE TYR 107 -0.006 -6.304 8.153 814 HE2 TYR 107 2HE TYR 107 2.990 -7.871 5.555 815 HH TYR 107 HH TYR 107 1.762 -9.094 6.857 816 H ASN 108 H ASN 108 1.333 -1.247 7.167 817 HA ASN 108 HA ASN 108 -0.911 -2.224 8.157 818 HB2 ASN 108 1HB ASN 108 0.276 0.557 8.177 819 HB3 ASN 108 2HB ASN 108 -1.316 0.356 8.882 820 HD21 ASN 108 1HD2 ASN 108 0.939 1.127 10.316 821 HD22 ASN 108 2HD2 ASN 108 1.346 -0.089 11.480 822 H ILE 109 H ILE 109 -0.642 0.512 5.775 823 HA ILE 109 HA ILE 109 -3.260 1.222 5.559 824 HB ILE 109 HB ILE 109 -1.094 1.074 3.466 825 HG12 ILE 109 1HG1 ILE 109 -2.106 3.552 4.841 826 HG13 ILE 109 2HG1 ILE 109 -0.927 2.525 5.631 827 HG21 ILE 109 1HG2 ILE 109 -2.464 1.828 1.885 828 HG22 ILE 109 2HG2 ILE 109 -3.813 1.379 2.956 829 HG23 ILE 109 3HG2 ILE 109 -3.176 3.041 2.975 830 HD11 ILE 109 1HD1 ILE 109 -0.509 4.449 3.511 831 HD12 ILE 109 2HD1 ILE 109 0.703 3.505 4.409 832 HD13 ILE 109 3HD1 ILE 109 -0.032 2.834 2.934 833 H ILE 110 H ILE 110 -1.588 -1.216 3.435 834 HA ILE 110 HA ILE 110 -3.837 -2.094 2.138 835 HB ILE 110 HB ILE 110 -1.232 -3.404 2.856 836 HG12 ILE 110 1HG1 ILE 110 -1.982 -2.994 0.044 837 HG13 ILE 110 2HG1 ILE 110 -1.916 -1.507 0.969 838 HG21 ILE 110 1HG2 ILE 110 -3.409 -4.614 1.130 839 HG22 ILE 110 2HG2 ILE 110 -1.772 -5.264 1.387 840 HG23 ILE 110 3HG2 ILE 110 -2.921 -5.185 2.744 841 HD11 ILE 110 1HD1 ILE 110 0.308 -3.598 0.950 842 HD12 ILE 110 2HD1 ILE 110 0.292 -2.136 -0.065 843 HD13 ILE 110 3HD1 ILE 110 0.370 -1.988 1.707 844 H LEU 111 H LEU 111 -2.607 -2.901 5.397 845 HA LEU 111 HA LEU 111 -4.355 -5.084 5.792 846 HB2 LEU 111 1HB LEU 111 -2.536 -5.140 7.167 847 HB3 LEU 111 2HB LEU 111 -2.540 -3.411 7.451 848 HG LEU 111 HG LEU 111 -4.762 -3.906 8.767 849 HD11 LEU 111 1HD1 LEU 111 -4.023 -6.530 7.998 850 HD12 LEU 111 2HD1 LEU 111 -3.764 -6.405 9.754 851 HD13 LEU 111 3HD1 LEU 111 -5.357 -6.021 9.060 852 HD21 LEU 111 1HD2 LEU 111 -2.591 -4.908 10.430 853 HD22 LEU 111 2HD2 LEU 111 -2.106 -3.492 9.467 854 HD23 LEU 111 3HD2 LEU 111 -3.521 -3.395 10.542 855 H GLU 112 H GLU 112 -4.686 -1.576 5.940 856 HA GLU 112 HA GLU 112 -7.050 -1.721 7.528 857 HB2 GLU 112 1HB GLU 112 -5.557 0.499 6.103 858 HB3 GLU 112 2HB GLU 112 -7.156 0.792 6.757 859 HG2 GLU 112 1HG GLU 112 -5.709 -0.588 8.800 860 HG3 GLU 112 2HG GLU 112 -4.612 0.621 8.163 861 H SER 113 H SER 113 -6.256 -2.305 4.255 862 HA SER 113 HA SER 113 -8.877 -1.464 3.347 863 HB2 SER 113 1HB SER 113 -7.974 -1.278 1.248 864 HB3 SER 113 2HB SER 113 -6.471 -1.165 2.141 865 HG SER 113 HG SER 113 -5.910 -3.216 1.580 866 H LYS 114 H LYS 114 -7.885 -3.958 5.072 867 HA LYS 114 HA LYS 114 -8.392 -6.224 3.492 868 HB2 LYS 114 1HB LYS 114 -7.684 -5.609 6.209 869 HB3 LYS 114 2HB LYS 114 -9.000 -6.765 6.218 870 HG2 LYS 114 1HG LYS 114 -7.738 -8.430 5.230 871 HG3 LYS 114 2HG LYS 114 -6.861 -7.311 4.206 872 HD2 LYS 114 1HD LYS 114 -5.142 -7.842 5.657 873 HD3 LYS 114 2HD LYS 114 -5.834 -6.514 6.568 874 HE2 LYS 114 1HE LYS 114 -6.483 -7.888 8.267 875 HE3 LYS 114 2HE LYS 114 -7.229 -9.027 7.163 876 HZ1 LYS 114 1HZ LYS 114 -4.650 -9.452 6.707 877 HZ2 LYS 114 2HZ LYS 114 -4.601 -9.062 8.292 878 HZ3 LYS 114 3HZ LYS 114 -5.534 -10.302 7.785 879 HA PRO 115 HA PRO 115 -12.790 -5.776 5.165 880 HB2 PRO 115 1HB PRO 115 -13.547 -3.480 6.439 881 HB3 PRO 115 2HB PRO 115 -13.028 -4.921 7.290 882 HG2 PRO 115 1HG PRO 115 -11.553 -2.398 6.849 883 HG3 PRO 115 2HG PRO 115 -11.244 -3.659 8.026 884 HD2 PRO 115 1HD PRO 115 -9.798 -3.191 5.593 885 HD3 PRO 115 2HD PRO 115 -9.565 -4.520 6.712 886 H GLU 116 H GLU 116 -11.182 -3.112 3.741 887 HA GLU 116 HA GLU 116 -13.329 -1.826 2.636 888 HB2 GLU 116 1HB GLU 116 -10.429 -2.144 1.880 889 HB3 GLU 116 2HB GLU 116 -11.503 -1.376 0.727 890 HG2 GLU 116 1HG GLU 116 -12.250 -0.084 3.044 891 HG3 GLU 116 2HG GLU 116 -10.560 -0.397 3.385 892 HA PRO 117 HA PRO 117 -14.764 -4.662 -0.333 893 HB2 PRO 117 1HB PRO 117 -16.399 -3.023 -1.785 894 HB3 PRO 117 2HB PRO 117 -16.881 -3.759 -0.269 895 HG2 PRO 117 1HG PRO 117 -16.112 -0.956 -0.806 896 HG3 PRO 117 2HG PRO 117 -16.988 -1.611 0.563 897 HD2 PRO 117 1HD PRO 117 -14.234 -0.813 0.511 898 HD3 PRO 117 2HD PRO 117 -15.079 -1.575 1.843 899 H GLN 118 H GLN 118 -13.414 -1.633 -1.422 900 HA GLN 118 HA GLN 118 -12.285 -3.160 -3.625 901 HB2 GLN 118 1HB GLN 118 -12.800 -1.498 -5.235 902 HB3 GLN 118 2HB GLN 118 -14.278 -1.670 -4.310 903 HG2 GLN 118 1HG GLN 118 -13.170 0.269 -2.816 904 HG3 GLN 118 2HG GLN 118 -12.275 0.589 -4.288 905 HE21 GLN 118 1HE2 GLN 118 -13.669 0.548 -6.330 906 HE22 GLN 118 2HE2 GLN 118 -15.163 1.422 -6.272 907 H VAL 119 H VAL 119 -10.367 -1.856 -4.658 908 HA VAL 119 HA VAL 119 -9.083 -0.130 -2.695 909 HB VAL 119 HB VAL 119 -7.818 -2.632 -3.832 910 HG11 VAL 119 1HG1 VAL 119 -5.821 -2.047 -2.786 911 HG12 VAL 119 2HG1 VAL 119 -6.397 -0.487 -3.420 912 HG13 VAL 119 3HG1 VAL 119 -6.610 -0.881 -1.698 913 HG21 VAL 119 1HG2 VAL 119 -7.832 -3.504 -1.571 914 HG22 VAL 119 2HG2 VAL 119 -8.567 -2.003 -0.957 915 HG23 VAL 119 3HG2 VAL 119 -9.493 -3.068 -2.042 916 H GLU 120 H GLU 120 -8.470 1.675 -3.758 917 HA GLU 120 HA GLU 120 -8.067 1.406 -6.621 918 HB2 GLU 120 1HB GLU 120 -9.762 3.053 -5.869 919 HB3 GLU 120 2HB GLU 120 -8.557 3.880 -4.903 920 HG2 GLU 120 1HG GLU 120 -7.267 3.889 -7.308 921 HG3 GLU 120 2HG GLU 120 -8.923 3.863 -7.880 922 H LEU 121 H LEU 121 -5.964 1.090 -7.212 923 HA LEU 121 HA LEU 121 -3.885 2.188 -5.498 924 HB2 LEU 121 1HB LEU 121 -4.095 0.011 -7.504 925 HB3 LEU 121 2HB LEU 121 -2.551 0.831 -7.390 926 HG LEU 121 HG LEU 121 -2.299 0.225 -5.079 927 HD11 LEU 121 1HD1 LEU 121 -4.095 -1.319 -4.046 928 HD12 LEU 121 2HD1 LEU 121 -4.392 0.436 -4.088 929 HD13 LEU 121 3HD1 LEU 121 -5.178 -0.629 -5.279 930 HD21 LEU 121 1HD2 LEU 121 -3.025 -2.436 -5.587 931 HD22 LEU 121 2HD2 LEU 121 -2.656 -1.730 -7.179 932 HD23 LEU 121 3HD2 LEU 121 -1.447 -1.664 -5.874 933 H VAL 122 H VAL 122 -1.935 3.187 -6.669 934 HA VAL 122 HA VAL 122 -2.667 4.563 -9.114 935 HB VAL 122 HB VAL 122 -1.793 6.117 -6.679 936 HG11 VAL 122 1HG1 VAL 122 -2.795 8.005 -8.128 937 HG12 VAL 122 2HG1 VAL 122 -1.217 7.331 -8.603 938 HG13 VAL 122 3HG1 VAL 122 -2.692 6.841 -9.470 939 HG21 VAL 122 1HG2 VAL 122 -4.024 5.107 -6.284 940 HG22 VAL 122 2HG2 VAL 122 -4.085 6.882 -6.411 941 HG23 VAL 122 3HG2 VAL 122 -4.613 5.873 -7.779 942 H VAL 123 H VAL 123 -0.992 3.981 -10.400 943 HA VAL 123 HA VAL 123 1.665 3.914 -9.156 944 HB VAL 123 HB VAL 123 2.043 2.645 -11.466 945 HG11 VAL 123 1HG1 VAL 123 0.841 1.446 -8.949 946 HG12 VAL 123 2HG1 VAL 123 1.634 0.511 -10.239 947 HG13 VAL 123 3HG1 VAL 123 2.567 1.702 -9.302 948 HG21 VAL 123 1HG2 VAL 123 0.148 1.287 -12.111 949 HG22 VAL 123 2HG2 VAL 123 -0.852 1.997 -10.821 950 HG23 VAL 123 3HG2 VAL 123 -0.317 3.004 -12.188 951 H SER 124 H SER 124 3.474 4.814 -10.392 952 HA SER 124 HA SER 124 2.670 6.588 -12.526 953 HB2 SER 124 1HB SER 124 2.577 7.877 -10.345 954 HB3 SER 124 2HB SER 124 4.287 7.562 -10.130 955 HG SER 124 HG SER 124 3.589 9.672 -11.196 956 H ARG 125 H ARG 125 4.030 6.078 -14.199 957 HA ARG 125 HA ARG 125 6.746 5.346 -13.445 958 HB2 ARG 125 1HB ARG 125 6.811 3.885 -15.428 959 HB3 ARG 125 2HB ARG 125 5.428 3.458 -14.440 960 HG2 ARG 125 1HG ARG 125 4.831 5.560 -16.447 961 HG3 ARG 125 2HG ARG 125 5.347 4.046 -17.163 962 HD2 ARG 125 1HD ARG 125 2.983 4.519 -15.303 963 HD3 ARG 125 2HD ARG 125 2.954 3.887 -16.938 964 HE ARG 125 HE ARG 125 3.636 2.397 -14.490 965 HH11 ARG 125 2HH2 ARG 125 3.742 2.451 -18.007 966 HH12 ARG 125 1HH2 ARG 125 3.925 0.735 -18.155 967 HH21 ARG 125 2HH1 ARG 125 3.878 0.133 -14.685 968 HH22 ARG 125 1HH1 ARG 125 4.003 -0.593 -16.253 969 H SER 126 H SER 126 8.447 5.937 -15.106 970 HA SER 126 HA SER 126 7.932 8.569 -16.035 971 HB2 SER 126 1HB SER 126 10.248 8.739 -16.321 972 HB3 SER 126 2HB SER 126 10.136 7.541 -15.047 973 HG SER 126 HG SER 126 11.571 6.709 -16.570 974 H GLY 127 H GLY 127 7.314 9.180 -18.089 975 HA2 GLY 127 1HA GLY 127 6.510 7.278 -19.989 976 HA3 GLY 127 2HA GLY 127 6.679 9.004 -20.237 977 HA PRO 128 HA PRO 128 9.928 6.969 -22.686 978 HB2 PRO 128 1HB PRO 128 9.243 7.967 -25.136 979 HB3 PRO 128 2HB PRO 128 8.714 6.399 -24.558 980 HG2 PRO 128 1HG PRO 128 7.169 8.909 -24.783 981 HG3 PRO 128 2HG PRO 128 6.578 7.267 -24.621 982 HD2 PRO 128 1HD PRO 128 6.683 9.263 -22.564 983 HD3 PRO 128 2HD PRO 128 6.202 7.589 -22.376 984 H SER 129 H SER 129 9.162 9.910 -21.587 985 HA SER 129 HA SER 129 10.619 11.646 -23.071 986 HB2 SER 129 1HB SER 129 9.380 12.618 -21.338 987 HB3 SER 129 2HB SER 129 9.926 11.455 -20.146 988 HG SER 129 HG SER 129 11.205 13.095 -19.565 989 H SER 130 H SER 130 11.747 9.606 -20.281 990 HA SER 130 HA SER 130 14.444 10.419 -20.776 991 HB2 SER 130 1HB SER 130 13.109 8.578 -18.764 992 HB3 SER 130 2HB SER 130 14.855 8.652 -18.895 993 HG SER 130 HG SER 130 14.893 10.631 -18.010 994 H GLY 131 H GLY 131 15.857 9.357 -22.126 995 HA2 GLY 131 1HA GLY 131 15.515 6.491 -22.577 996 HA3 GLY 131 2HA GLY 131 15.345 7.541 -23.969 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.066 -13.670 -16.776 2 HA2 GLY 1 1HA GLY 1 -23.799 -16.536 -16.736 3 HA3 GLY 1 2HA GLY 1 -24.942 -15.209 -16.690 4 H SER 2 H SER 2 -25.585 -14.170 -18.603 5 HA SER 2 HA SER 2 -25.465 -15.567 -20.913 6 HB2 SER 2 1HB SER 2 -26.578 -13.138 -20.032 7 HB3 SER 2 2HB SER 2 -25.593 -12.671 -21.404 8 HG SER 2 HG SER 2 -26.750 -14.058 -22.757 9 H SER 3 H SER 3 -24.000 -15.806 -22.597 10 HA SER 3 HA SER 3 -21.387 -15.003 -22.203 11 HB2 SER 3 1HB SER 3 -20.956 -15.943 -24.402 12 HB3 SER 3 2HB SER 3 -22.139 -16.951 -23.594 13 HG SER 3 HG SER 3 -22.473 -15.181 -25.808 14 H GLY 4 H GLY 4 -20.798 -12.850 -22.138 15 HA2 GLY 4 1HA GLY 4 -21.588 -11.193 -24.451 16 HA3 GLY 4 2HA GLY 4 -21.744 -10.592 -22.812 17 H SER 5 H SER 5 -19.787 -10.327 -21.471 18 HA SER 5 HA SER 5 -17.725 -9.752 -21.110 19 HB2 SER 5 1HB SER 5 -17.453 -11.906 -23.015 20 HB3 SER 5 2HB SER 5 -16.232 -10.702 -23.376 21 HG SER 5 HG SER 5 -16.085 -10.854 -20.772 22 H SER 6 H SER 6 -17.267 -7.594 -21.314 23 HA SER 6 HA SER 6 -16.803 -5.659 -22.182 24 HB2 SER 6 1HB SER 6 -15.846 -7.505 -24.309 25 HB3 SER 6 2HB SER 6 -16.154 -5.870 -24.858 26 HG SER 6 HG SER 6 -14.067 -5.762 -24.143 27 H GLY 7 H GLY 7 -18.515 -4.269 -22.401 28 HA2 GLY 7 1HA GLY 7 -20.036 -4.221 -24.841 29 HA3 GLY 7 2HA GLY 7 -20.959 -4.806 -23.471 30 H HIS 8 H HIS 8 -20.394 -2.083 -25.219 31 HA HIS 8 HA HIS 8 -20.417 -0.334 -22.876 32 HB2 HIS 8 1HB HIS 8 -19.692 1.434 -24.335 33 HB3 HIS 8 2HB HIS 8 -18.627 0.056 -24.521 34 HD1 HIS 8 1HD HIS 8 -19.080 -1.468 -26.745 35 HD2 HIS 8 2HD HIS 8 -20.828 2.344 -26.677 36 HE1 HIS 8 1HE HIS 8 -19.700 -0.923 -29.159 37 H SER 9 H SER 9 -21.961 1.502 -22.889 38 HA SER 9 HA SER 9 -23.967 1.768 -24.722 39 HB2 SER 9 1HB SER 9 -24.417 -0.448 -22.817 40 HB3 SER 9 2HB SER 9 -25.720 0.723 -22.819 41 HG SER 9 HG SER 9 -24.696 -0.793 -25.055 42 H HIS 10 H HIS 10 -23.659 1.484 -21.101 43 HA HIS 10 HA HIS 10 -23.720 4.319 -20.848 44 HB2 HIS 10 1HB HIS 10 -26.153 2.684 -20.162 45 HB3 HIS 10 2HB HIS 10 -25.772 4.130 -19.247 46 HD1 HIS 10 1HD HIS 10 -27.866 3.188 -21.894 47 HD2 HIS 10 2HD HIS 10 -25.180 6.369 -21.381 48 HE1 HIS 10 1HE HIS 10 -28.571 4.993 -23.553 49 H SER 11 H SER 11 -22.842 4.973 -18.858 50 HA SER 11 HA SER 11 -21.770 4.802 -16.978 51 HB2 SER 11 1HB SER 11 -23.140 2.118 -16.514 52 HB3 SER 11 2HB SER 11 -22.417 3.146 -15.292 53 HG SER 11 HG SER 11 -24.610 4.001 -16.976 54 H ASP 12 H ASP 12 -19.995 4.428 -18.734 55 HA ASP 12 HA ASP 12 -18.859 1.772 -18.371 56 HB2 ASP 12 1HB ASP 12 -19.007 3.680 -20.631 57 HB3 ASP 12 2HB ASP 12 -17.387 3.063 -20.376 58 H LYS 13 H LYS 13 -17.964 2.500 -16.234 59 HA LYS 13 HA LYS 13 -15.707 4.351 -16.577 60 HB2 LYS 13 1HB LYS 13 -17.629 3.989 -14.276 61 HB3 LYS 13 2HB LYS 13 -16.049 4.709 -14.046 62 HG2 LYS 13 1HG LYS 13 -16.912 6.100 -16.263 63 HG3 LYS 13 2HG LYS 13 -18.441 5.799 -15.461 64 HD2 LYS 13 1HD LYS 13 -17.981 7.270 -13.777 65 HD3 LYS 13 2HD LYS 13 -16.357 6.651 -13.559 66 HE2 LYS 13 1HE LYS 13 -15.571 7.964 -15.525 67 HE3 LYS 13 2HE LYS 13 -17.198 8.552 -15.800 68 HZ1 LYS 13 1HZ LYS 13 -15.402 9.776 -14.280 69 HZ2 LYS 13 2HZ LYS 13 -17.014 9.989 -14.129 70 HZ3 LYS 13 3HZ LYS 13 -16.230 8.955 -13.137 71 H HIS 14 H HIS 14 -14.517 2.411 -17.342 72 HA HIS 14 HA HIS 14 -14.210 0.082 -16.048 73 HB2 HIS 14 1HB HIS 14 -12.046 1.754 -17.353 74 HB3 HIS 14 2HB HIS 14 -11.888 0.054 -16.957 75 HD1 HIS 14 1HD HIS 14 -14.181 -1.372 -18.051 76 HD2 HIS 14 2HD HIS 14 -12.686 2.040 -19.979 77 HE1 HIS 14 1HE HIS 14 -14.984 -1.508 -20.469 78 HA PRO 15 HA PRO 15 -12.409 0.925 -12.207 79 HB2 PRO 15 1HB PRO 15 -11.250 -1.479 -11.619 80 HB3 PRO 15 2HB PRO 15 -12.961 -1.163 -11.407 81 HG2 PRO 15 1HG PRO 15 -11.614 -2.741 -13.514 82 HG3 PRO 15 2HG PRO 15 -13.300 -2.760 -13.037 83 HD2 PRO 15 1HD PRO 15 -12.186 -1.492 -15.357 84 HD3 PRO 15 2HD PRO 15 -13.852 -1.414 -14.818 85 H VAL 16 H VAL 16 -10.341 -0.392 -14.676 86 HA VAL 16 HA VAL 16 -8.070 0.850 -13.306 87 HB VAL 16 HB VAL 16 -8.108 -1.084 -15.629 88 HG11 VAL 16 1HG1 VAL 16 -5.734 -1.441 -15.024 89 HG12 VAL 16 2HG1 VAL 16 -6.064 0.238 -15.514 90 HG13 VAL 16 3HG1 VAL 16 -5.871 -0.165 -13.791 91 HG21 VAL 16 1HG2 VAL 16 -8.842 -1.637 -12.995 92 HG22 VAL 16 2HG2 VAL 16 -8.337 -2.814 -14.231 93 HG23 VAL 16 3HG2 VAL 16 -7.140 -2.148 -13.094 94 H THR 17 H THR 17 -6.895 2.517 -14.256 95 HA THR 17 HA THR 17 -7.554 3.297 -16.974 96 HB THR 17 HB THR 17 -7.848 5.730 -15.806 97 HG1 THR 17 1HG THR 17 -8.724 3.603 -13.983 98 HG21 THR 17 1HG2 THR 17 -10.083 5.562 -16.373 99 HG22 THR 17 2HG2 THR 17 -9.594 3.998 -17.068 100 HG23 THR 17 3HG2 THR 17 -10.300 4.064 -15.435 101 H TRP 18 H TRP 18 -5.794 3.984 -18.041 102 HA TRP 18 HA TRP 18 -3.490 4.726 -16.367 103 HB2 TRP 18 1HB TRP 18 -3.622 3.098 -18.901 104 HB3 TRP 18 2HB TRP 18 -2.142 3.852 -18.343 105 HD1 TRP 18 HD TRP 18 -4.554 0.997 -17.410 106 HE1 TRP 18 1HE TRP 18 -3.456 -0.656 -15.671 107 HE3 TRP 18 3HE TRP 18 -0.421 3.827 -16.538 108 HZ2 TRP 18 2HZ TRP 18 -1.035 -0.595 -14.160 109 HZ3 TRP 18 3HZ TRP 18 1.261 2.958 -14.917 110 HH2 TRP 18 HH TRP 18 1.005 0.828 -13.746 111 H GLN 19 H GLN 19 -3.313 6.931 -16.494 112 HA GLN 19 HA GLN 19 -3.462 8.052 -19.171 113 HB2 GLN 19 1HB GLN 19 -4.797 9.201 -16.681 114 HB3 GLN 19 2HB GLN 19 -4.612 10.083 -18.185 115 HG2 GLN 19 1HG GLN 19 -5.896 7.341 -18.234 116 HG3 GLN 19 2HG GLN 19 -6.840 8.714 -17.692 117 HE21 GLN 19 1HE2 GLN 19 -6.719 6.904 -20.161 118 HE22 GLN 19 2HE2 GLN 19 -6.805 7.987 -21.510 119 HA PRO 20 HA PRO 20 0.180 10.053 -17.919 120 HB2 PRO 20 1HB PRO 20 0.262 12.198 -19.610 121 HB3 PRO 20 2HB PRO 20 0.736 10.580 -20.090 122 HG2 PRO 20 1HG PRO 20 -1.730 12.064 -20.762 123 HG3 PRO 20 2HG PRO 20 -1.047 10.656 -21.550 124 HD2 PRO 20 1HD PRO 20 -3.286 10.702 -19.758 125 HD3 PRO 20 2HD PRO 20 -2.530 9.283 -20.455 126 H SER 21 H SER 21 1.214 11.833 -16.817 127 HA SER 21 HA SER 21 -0.648 12.955 -15.034 128 HB2 SER 21 1HB SER 21 1.210 13.642 -13.816 129 HB3 SER 21 2HB SER 21 1.910 12.330 -14.744 130 HG SER 21 HG SER 21 2.947 13.764 -16.096 131 H LYS 22 H LYS 22 0.032 15.571 -14.552 132 HA LYS 22 HA LYS 22 -1.383 16.985 -16.426 133 HB2 LYS 22 1HB LYS 22 -0.491 17.512 -13.967 134 HB3 LYS 22 2HB LYS 22 0.744 18.381 -14.856 135 HG2 LYS 22 1HG LYS 22 -2.092 18.798 -15.752 136 HG3 LYS 22 2HG LYS 22 -1.656 19.481 -14.198 137 HD2 LYS 22 1HD LYS 22 -0.120 20.983 -15.120 138 HD3 LYS 22 2HD LYS 22 0.253 19.941 -16.479 139 HE2 LYS 22 1HE LYS 22 -1.097 21.334 -17.687 140 HE3 LYS 22 2HE LYS 22 -2.427 20.472 -16.937 141 HZ1 LYS 22 1HZ LYS 22 -2.607 22.842 -16.634 142 HZ2 LYS 22 2HZ LYS 22 -2.435 22.106 -15.186 143 HZ3 LYS 22 3HZ LYS 22 -1.173 22.900 -15.854 144 H ASP 23 H ASP 23 2.217 16.691 -16.080 145 HA ASP 23 HA ASP 23 2.750 18.279 -18.292 146 HB2 ASP 23 1HB ASP 23 4.447 17.750 -16.590 147 HB3 ASP 23 2HB ASP 23 4.346 16.041 -16.965 148 H GLY 24 H GLY 24 3.303 14.688 -17.922 149 HA2 GLY 24 1HA GLY 24 1.903 13.401 -19.645 150 HA3 GLY 24 2HA GLY 24 2.786 14.373 -20.806 151 H ASP 25 H ASP 25 5.323 14.488 -19.322 152 HA ASP 25 HA ASP 25 6.579 12.344 -20.384 153 HB2 ASP 25 1HB ASP 25 7.180 14.363 -18.279 154 HB3 ASP 25 2HB ASP 25 8.151 12.909 -18.169 155 H ARG 26 H ARG 26 4.649 12.612 -17.451 156 HA ARG 26 HA ARG 26 5.672 10.053 -16.534 157 HB2 ARG 26 1HB ARG 26 4.419 12.428 -15.191 158 HB3 ARG 26 2HB ARG 26 3.993 10.865 -14.523 159 HG2 ARG 26 1HG ARG 26 6.887 11.664 -15.051 160 HG3 ARG 26 2HG ARG 26 6.084 12.026 -13.536 161 HD2 ARG 26 1HD ARG 26 6.025 9.798 -12.865 162 HD3 ARG 26 2HD ARG 26 5.863 9.192 -14.501 163 HE ARG 26 HE ARG 26 8.195 9.082 -14.671 164 HH11 ARG 26 2HH2 ARG 26 7.332 11.149 -11.957 165 HH12 ARG 26 1HH2 ARG 26 8.962 11.302 -11.391 166 HH21 ARG 26 2HH1 ARG 26 10.346 9.284 -13.924 167 HH22 ARG 26 1HH1 ARG 26 10.688 10.235 -12.517 168 H LEU 27 H LEU 27 4.104 8.355 -15.926 169 HA LEU 27 HA LEU 27 1.497 8.744 -17.227 170 HB2 LEU 27 1HB LEU 27 3.490 7.032 -18.026 171 HB3 LEU 27 2HB LEU 27 2.499 5.995 -17.019 172 HG LEU 27 HG LEU 27 1.416 5.630 -18.962 173 HD11 LEU 27 1HD1 LEU 27 -0.632 6.568 -18.852 174 HD12 LEU 27 2HD1 LEU 27 0.014 7.287 -17.357 175 HD13 LEU 27 3HD1 LEU 27 0.003 8.231 -18.866 176 HD21 LEU 27 1HD2 LEU 27 3.058 7.733 -19.880 177 HD22 LEU 27 2HD2 LEU 27 2.134 6.556 -20.844 178 HD23 LEU 27 3HD2 LEU 27 1.401 8.117 -20.404 179 H ILE 28 H ILE 28 -0.172 8.720 -15.828 180 HA ILE 28 HA ILE 28 0.317 7.525 -13.207 181 HB ILE 28 HB ILE 28 -1.892 9.378 -14.104 182 HG12 ILE 28 1HG1 ILE 28 0.138 10.592 -14.359 183 HG13 ILE 28 2HG1 ILE 28 -0.595 11.121 -12.858 184 HG21 ILE 28 1HG2 ILE 28 -1.292 9.454 -11.297 185 HG22 ILE 28 2HG2 ILE 28 -2.818 9.047 -12.118 186 HG23 ILE 28 3HG2 ILE 28 -1.615 7.775 -11.793 187 HD11 ILE 28 1HD1 ILE 28 1.813 10.752 -12.524 188 HD12 ILE 28 2HD1 ILE 28 0.892 9.549 -11.589 189 HD13 ILE 28 3HD1 ILE 28 1.663 9.083 -13.124 190 H GLY 29 H GLY 29 -0.345 5.473 -12.907 191 HA2 GLY 29 1HA GLY 29 -2.593 4.508 -14.560 192 HA3 GLY 29 2HA GLY 29 -1.309 3.521 -13.891 193 H ARG 30 H ARG 30 -4.419 3.649 -13.584 194 HA ARG 30 HA ARG 30 -4.339 3.617 -10.673 195 HB2 ARG 30 1HB ARG 30 -6.039 5.145 -12.443 196 HB3 ARG 30 2HB ARG 30 -7.049 3.969 -11.627 197 HG2 ARG 30 1HG ARG 30 -6.138 4.720 -9.418 198 HG3 ARG 30 2HG ARG 30 -5.127 5.896 -10.235 199 HD2 ARG 30 1HD ARG 30 -8.167 5.852 -10.523 200 HD3 ARG 30 2HD ARG 30 -7.345 6.793 -9.294 201 HE ARG 30 HE ARG 30 -6.059 7.520 -11.652 202 HH11 ARG 30 2HH2 ARG 30 -9.403 7.516 -10.559 203 HH12 ARG 30 1HH2 ARG 30 -9.862 8.861 -11.549 204 HH21 ARG 30 2HH1 ARG 30 -6.664 9.295 -12.958 205 HH22 ARG 30 1HH1 ARG 30 -8.294 9.880 -12.922 206 H ILE 31 H ILE 31 -4.819 1.619 -9.798 207 HA ILE 31 HA ILE 31 -6.281 -0.249 -11.534 208 HB ILE 31 HB ILE 31 -3.960 -0.704 -9.670 209 HG12 ILE 31 1HG1 ILE 31 -3.233 -1.953 -11.870 210 HG13 ILE 31 2HG1 ILE 31 -4.416 -0.908 -12.631 211 HG21 ILE 31 1HG2 ILE 31 -4.304 -3.159 -10.371 212 HG22 ILE 31 2HG2 ILE 31 -5.336 -2.491 -9.083 213 HG23 ILE 31 3HG2 ILE 31 -5.977 -2.671 -10.734 214 HD11 ILE 31 1HD1 ILE 31 -1.829 -0.170 -12.209 215 HD12 ILE 31 2HD1 ILE 31 -3.171 0.998 -12.285 216 HD13 ILE 31 3HD1 ILE 31 -2.566 0.439 -10.707 217 H LEU 32 H LEU 32 -8.306 -0.586 -10.808 218 HA LEU 32 HA LEU 32 -8.706 -0.406 -7.903 219 HB2 LEU 32 1HB LEU 32 -9.831 1.349 -9.147 220 HB3 LEU 32 2HB LEU 32 -10.609 0.165 -10.179 221 HG LEU 32 HG LEU 32 -12.000 1.211 -8.313 222 HD11 LEU 32 1HD1 LEU 32 -13.408 -0.520 -8.510 223 HD12 LEU 32 2HD1 LEU 32 -12.161 -1.206 -9.580 224 HD13 LEU 32 3HD1 LEU 32 -12.227 -1.687 -7.868 225 HD21 LEU 32 1HD2 LEU 32 -11.616 0.815 -6.127 226 HD22 LEU 32 2HD2 LEU 32 -10.994 -0.828 -6.416 227 HD23 LEU 32 3HD2 LEU 32 -9.941 0.582 -6.682 228 H LEU 33 H LEU 33 -9.622 -2.130 -6.823 229 HA LEU 33 HA LEU 33 -10.324 -4.425 -8.518 230 HB2 LEU 33 1HB LEU 33 -8.878 -4.405 -5.865 231 HB3 LEU 33 2HB LEU 33 -9.464 -5.845 -6.675 232 HG LEU 33 HG LEU 33 -7.177 -5.758 -7.167 233 HD11 LEU 33 1HD1 LEU 33 -8.525 -6.262 -9.131 234 HD12 LEU 33 2HD1 LEU 33 -8.602 -4.533 -9.545 235 HD13 LEU 33 3HD1 LEU 33 -7.043 -5.390 -9.590 236 HD21 LEU 33 1HD2 LEU 33 -5.880 -3.894 -7.621 237 HD22 LEU 33 2HD2 LEU 33 -7.265 -2.935 -8.195 238 HD23 LEU 33 3HD2 LEU 33 -7.068 -3.262 -6.457 239 H ASN 34 H ASN 34 -12.124 -5.689 -7.860 240 HA ASN 34 HA ASN 34 -13.642 -4.484 -5.687 241 HB2 ASN 34 1HB ASN 34 -14.524 -3.879 -8.022 242 HB3 ASN 34 2HB ASN 34 -14.833 -5.584 -8.286 243 HD21 ASN 34 1HD2 ASN 34 -16.464 -6.632 -7.204 244 HD22 ASN 34 2HD2 ASN 34 -17.713 -5.818 -6.322 245 H LYS 35 H LYS 35 -14.332 -6.050 -4.196 246 HA LYS 35 HA LYS 35 -14.063 -8.846 -5.047 247 HB2 LYS 35 1HB LYS 35 -14.011 -7.816 -2.204 248 HB3 LYS 35 2HB LYS 35 -13.540 -9.399 -2.789 249 HG2 LYS 35 1HG LYS 35 -11.436 -8.675 -3.226 250 HG3 LYS 35 2HG LYS 35 -12.042 -7.388 -4.249 251 HD2 LYS 35 1HD LYS 35 -11.671 -5.819 -2.645 252 HD3 LYS 35 2HD LYS 35 -12.529 -6.753 -1.436 253 HE2 LYS 35 1HE LYS 35 -10.456 -6.942 -0.467 254 HE3 LYS 35 2HE LYS 35 -10.244 -8.248 -1.617 255 HZ1 LYS 35 1HZ LYS 35 -9.204 -5.541 -1.728 256 HZ2 LYS 35 2HZ LYS 35 -8.453 -6.954 -2.055 257 HZ3 LYS 35 3HZ LYS 35 -9.493 -6.313 -3.138 258 H ARG 36 H ARG 36 -16.178 -6.347 -3.664 259 HA ARG 36 HA ARG 36 -18.112 -7.662 -2.485 260 HB2 ARG 36 1HB ARG 36 -18.016 -5.293 -4.272 261 HB3 ARG 36 2HB ARG 36 -19.607 -6.021 -4.191 262 HG2 ARG 36 1HG ARG 36 -19.594 -5.874 -1.722 263 HG3 ARG 36 2HG ARG 36 -17.951 -5.265 -1.738 264 HD2 ARG 36 1HD ARG 36 -18.660 -3.138 -2.130 265 HD3 ARG 36 2HD ARG 36 -19.624 -3.645 -3.502 266 HE ARG 36 HE ARG 36 -20.941 -4.443 -1.072 267 HH11 ARG 36 2HH2 ARG 36 -20.221 -1.574 -2.979 268 HH12 ARG 36 1HH2 ARG 36 -21.602 -0.696 -2.414 269 HH21 ARG 36 2HH1 ARG 36 -22.763 -3.284 -0.326 270 HH22 ARG 36 1HH1 ARG 36 -23.058 -1.674 -0.894 271 H LEU 37 H LEU 37 -19.098 -9.603 -2.962 272 HA LEU 37 HA LEU 37 -19.139 -10.668 -5.557 273 HB2 LEU 37 1HB LEU 37 -20.766 -11.449 -3.134 274 HB3 LEU 37 2HB LEU 37 -20.513 -12.423 -4.569 275 HG LEU 37 HG LEU 37 -18.061 -11.514 -3.151 276 HD11 LEU 37 1HD1 LEU 37 -18.669 -12.217 -1.133 277 HD12 LEU 37 2HD1 LEU 37 -20.207 -12.869 -1.747 278 HD13 LEU 37 3HD1 LEU 37 -18.733 -13.865 -1.805 279 HD21 LEU 37 1HD2 LEU 37 -18.826 -13.498 -5.070 280 HD22 LEU 37 2HD2 LEU 37 -17.200 -13.037 -4.511 281 HD23 LEU 37 3HD2 LEU 37 -18.111 -14.302 -3.652 282 H LYS 38 H LYS 38 -21.685 -11.678 -6.012 283 HA LYS 38 HA LYS 38 -22.884 -9.601 -7.375 284 HB2 LYS 38 1HB LYS 38 -23.172 -12.341 -7.216 285 HB3 LYS 38 2HB LYS 38 -24.696 -11.772 -6.566 286 HG2 LYS 38 1HG LYS 38 -25.389 -11.404 -8.693 287 HG3 LYS 38 2HG LYS 38 -24.230 -10.094 -8.789 288 HD2 LYS 38 1HD LYS 38 -22.925 -11.259 -10.236 289 HD3 LYS 38 2HD LYS 38 -22.846 -12.630 -9.148 290 HE2 LYS 38 1HE LYS 38 -24.843 -13.612 -10.052 291 HE3 LYS 38 2HE LYS 38 -25.326 -12.121 -10.835 292 HZ1 LYS 38 1HZ LYS 38 -22.861 -12.684 -11.839 293 HZ2 LYS 38 2HZ LYS 38 -23.608 -14.135 -11.787 294 HZ3 LYS 38 3HZ LYS 38 -24.289 -12.895 -12.601 295 H ASP 39 H ASP 39 -23.391 -10.818 -4.041 296 HA ASP 39 HA ASP 39 -25.683 -9.234 -3.635 297 HB2 ASP 39 1HB ASP 39 -24.327 -11.291 -2.275 298 HB3 ASP 39 2HB ASP 39 -24.123 -9.907 -1.220 299 H GLY 40 H GLY 40 -22.142 -8.914 -3.185 300 HA2 GLY 40 1HA GLY 40 -20.940 -6.971 -3.047 301 HA3 GLY 40 2HA GLY 40 -22.413 -6.052 -2.804 302 H SER 41 H SER 41 -20.877 -8.852 -1.053 303 HA SER 41 HA SER 41 -20.891 -7.152 1.311 304 HB2 SER 41 1HB SER 41 -22.727 -9.095 1.061 305 HB3 SER 41 2HB SER 41 -21.402 -10.108 1.601 306 HG SER 41 HG SER 41 -21.188 -8.339 3.369 307 H VAL 42 H VAL 42 -18.999 -8.536 -0.923 308 HA VAL 42 HA VAL 42 -16.913 -9.256 -1.014 309 HB VAL 42 HB VAL 42 -16.971 -7.982 1.702 310 HG11 VAL 42 1HG1 VAL 42 -14.983 -9.896 0.738 311 HG12 VAL 42 2HG1 VAL 42 -14.274 -8.307 1.112 312 HG13 VAL 42 3HG1 VAL 42 -15.197 -9.184 2.355 313 HG21 VAL 42 1HG2 VAL 42 -15.307 -6.457 0.509 314 HG22 VAL 42 2HG2 VAL 42 -15.761 -7.305 -0.989 315 HG23 VAL 42 3HG2 VAL 42 -16.991 -6.407 -0.067 316 HA PRO 43 HA PRO 43 -17.261 -13.298 0.530 317 HB2 PRO 43 1HB PRO 43 -15.096 -14.402 -0.721 318 HB3 PRO 43 2HB PRO 43 -16.651 -14.196 -1.501 319 HG2 PRO 43 1HG PRO 43 -14.169 -12.635 -1.874 320 HG3 PRO 43 2HG PRO 43 -15.573 -12.730 -2.918 321 HD2 PRO 43 1HD PRO 43 -14.894 -10.578 -1.147 322 HD3 PRO 43 2HD PRO 43 -16.354 -10.727 -2.104 323 H ARG 44 H ARG 44 -15.885 -15.091 1.604 324 HA ARG 44 HA ARG 44 -15.126 -14.246 3.974 325 HB2 ARG 44 1HB ARG 44 -14.343 -16.556 2.256 326 HB3 ARG 44 2HB ARG 44 -13.236 -16.240 3.577 327 HG2 ARG 44 1HG ARG 44 -15.948 -16.019 4.578 328 HG3 ARG 44 2HG ARG 44 -15.804 -17.524 3.691 329 HD2 ARG 44 1HD ARG 44 -14.936 -18.335 5.655 330 HD3 ARG 44 2HD ARG 44 -13.451 -17.581 5.111 331 HE ARG 44 HE ARG 44 -13.727 -15.881 6.719 332 HH11 ARG 44 2HH2 ARG 44 -16.683 -17.772 6.453 333 HH12 ARG 44 1HH2 ARG 44 -17.415 -17.062 7.853 334 HH21 ARG 44 2HH1 ARG 44 -14.692 -14.943 8.566 335 HH22 ARG 44 1HH1 ARG 44 -16.275 -15.442 9.063 336 H ASP 45 H ASP 45 -13.030 -14.351 1.029 337 HA ASP 45 HA ASP 45 -11.583 -12.140 1.759 338 HB2 ASP 45 1HB ASP 45 -9.350 -13.750 1.955 339 HB3 ASP 45 2HB ASP 45 -10.157 -13.000 3.318 340 H SER 46 H SER 46 -12.063 -11.875 -0.553 341 HA SER 46 HA SER 46 -11.417 -13.768 -2.455 342 HB2 SER 46 1HB SER 46 -12.645 -12.256 -3.599 343 HB3 SER 46 2HB SER 46 -12.381 -11.035 -2.370 344 HG SER 46 HG SER 46 -10.562 -11.672 -4.536 345 H GLY 47 H GLY 47 -9.590 -10.906 -1.190 346 HA2 GLY 47 1HA GLY 47 -7.076 -12.085 -1.425 347 HA3 GLY 47 2HA GLY 47 -7.360 -11.184 -2.901 348 H ALA 48 H ALA 48 -6.996 -10.974 0.639 349 HA ALA 48 HA ALA 48 -7.536 -8.321 1.062 350 HB1 ALA 48 1HB ALA 48 -6.113 -10.501 2.365 351 HB2 ALA 48 2HB ALA 48 -5.289 -8.947 2.643 352 HB3 ALA 48 3HB ALA 48 -7.002 -9.139 3.088 353 H MET 49 H MET 49 -4.436 -9.860 -0.023 354 HA MET 49 HA MET 49 -3.292 -7.257 -0.377 355 HB2 MET 49 1HB MET 49 -2.408 -10.086 -0.277 356 HB3 MET 49 2HB MET 49 -1.596 -9.197 -1.550 357 HG2 MET 49 1HG MET 49 -1.670 -7.524 0.814 358 HG3 MET 49 2HG MET 49 -1.080 -9.107 1.281 359 HE1 MET 49 1HE MET 49 0.148 -6.516 1.495 360 HE2 MET 49 2HE MET 49 1.842 -6.696 0.979 361 HE3 MET 49 3HE MET 49 0.712 -5.726 0.003 362 H LEU 50 H LEU 50 -5.675 -8.446 -2.033 363 HA LEU 50 HA LEU 50 -6.428 -8.195 -4.095 364 HB2 LEU 50 1HB LEU 50 -3.830 -6.727 -4.566 365 HB3 LEU 50 2HB LEU 50 -5.146 -6.815 -5.720 366 HG LEU 50 HG LEU 50 -5.024 -4.695 -4.390 367 HD11 LEU 50 1HD1 LEU 50 -7.658 -5.564 -3.576 368 HD12 LEU 50 2HD1 LEU 50 -7.176 -4.447 -4.875 369 HD13 LEU 50 3HD1 LEU 50 -7.252 -6.197 -5.189 370 HD21 LEU 50 1HD2 LEU 50 -4.359 -5.825 -2.246 371 HD22 LEU 50 2HD2 LEU 50 -5.660 -4.619 -2.096 372 HD23 LEU 50 3HD2 LEU 50 -6.050 -6.355 -2.078 373 H GLY 51 H GLY 51 -2.859 -8.847 -4.384 374 HA2 GLY 51 1HA GLY 51 -2.991 -11.511 -4.992 375 HA3 GLY 51 2HA GLY 51 -3.270 -10.708 -6.524 376 H LEU 52 H LEU 52 -1.627 -8.290 -5.705 377 HA LEU 52 HA LEU 52 0.965 -9.524 -6.245 378 HB2 LEU 52 1HB LEU 52 1.569 -7.603 -7.339 379 HB3 LEU 52 2HB LEU 52 -0.131 -7.752 -7.737 380 HG LEU 52 HG LEU 52 0.224 -5.471 -7.294 381 HD11 LEU 52 1HD1 LEU 52 -0.925 -6.663 -4.755 382 HD12 LEU 52 2HD1 LEU 52 -1.155 -4.996 -5.336 383 HD13 LEU 52 3HD1 LEU 52 -1.812 -6.363 -6.268 384 HD21 LEU 52 1HD2 LEU 52 1.553 -4.528 -5.662 385 HD22 LEU 52 2HD2 LEU 52 1.408 -5.930 -4.575 386 HD23 LEU 52 3HD2 LEU 52 2.437 -6.029 -6.024 387 H LYS 53 H LYS 53 2.902 -8.345 -5.212 388 HA LYS 53 HA LYS 53 2.195 -7.808 -2.412 389 HB2 LYS 53 1HB LYS 53 3.665 -9.876 -3.238 390 HB3 LYS 53 2HB LYS 53 4.943 -8.678 -3.205 391 HG2 LYS 53 1HG LYS 53 3.061 -8.950 -0.840 392 HG3 LYS 53 2HG LYS 53 4.402 -10.062 -1.021 393 HD2 LYS 53 1HD LYS 53 5.464 -7.447 -1.492 394 HD3 LYS 53 2HD LYS 53 4.434 -7.310 -0.081 395 HE2 LYS 53 1HE LYS 53 6.295 -8.059 1.039 396 HE3 LYS 53 2HE LYS 53 5.724 -9.639 0.539 397 HZ1 LYS 53 1HZ LYS 53 7.122 -8.727 -1.592 398 HZ2 LYS 53 2HZ LYS 53 8.014 -8.224 -0.320 399 HZ3 LYS 53 3HZ LYS 53 7.654 -9.808 -0.489 400 H VAL 54 H VAL 54 3.123 -6.013 -1.361 401 HA VAL 54 HA VAL 54 4.638 -4.222 -3.124 402 HB VAL 54 HB VAL 54 2.347 -3.512 -1.281 403 HG11 VAL 54 1HG1 VAL 54 4.584 -1.941 -2.123 404 HG12 VAL 54 2HG1 VAL 54 3.130 -1.331 -2.948 405 HG13 VAL 54 3HG1 VAL 54 3.165 -1.442 -1.172 406 HG21 VAL 54 1HG2 VAL 54 2.628 -3.566 -4.296 407 HG22 VAL 54 2HG2 VAL 54 1.437 -4.412 -3.279 408 HG23 VAL 54 3HG2 VAL 54 1.355 -2.643 -3.461 409 H VAL 55 H VAL 55 6.308 -3.049 -2.122 410 HA VAL 55 HA VAL 55 6.688 -3.642 0.727 411 HB VAL 55 HB VAL 55 8.542 -4.038 -1.592 412 HG11 VAL 55 1HG1 VAL 55 9.899 -2.588 -0.329 413 HG12 VAL 55 2HG1 VAL 55 9.328 -3.255 1.220 414 HG13 VAL 55 3HG1 VAL 55 10.400 -4.219 0.176 415 HG21 VAL 55 1HG2 VAL 55 7.114 -5.761 0.009 416 HG22 VAL 55 2HG2 VAL 55 8.555 -6.191 -0.943 417 HG23 VAL 55 3HG2 VAL 55 8.719 -5.772 0.779 418 H GLY 56 H GLY 56 6.575 -1.753 1.818 419 HA2 GLY 56 1HA GLY 56 7.292 0.717 0.401 420 HA3 GLY 56 2HA GLY 56 6.334 0.576 1.862 421 H GLY 57 H GLY 57 7.893 2.341 2.587 422 HA2 GLY 57 1HA GLY 57 9.645 3.023 3.817 423 HA3 GLY 57 2HA GLY 57 9.686 1.396 4.466 424 H LYS 58 H LYS 58 10.047 1.661 0.990 425 HA LYS 58 HA LYS 58 12.670 0.568 1.151 426 HB2 LYS 58 1HB LYS 58 11.138 -0.163 -0.571 427 HB3 LYS 58 2HB LYS 58 10.955 1.470 -1.179 428 HG2 LYS 58 1HG LYS 58 12.786 1.225 -2.490 429 HG3 LYS 58 2HG LYS 58 13.779 0.883 -1.087 430 HD2 LYS 58 1HD LYS 58 14.038 -1.181 -2.039 431 HD3 LYS 58 2HD LYS 58 12.464 -1.518 -1.347 432 HE2 LYS 58 1HE LYS 58 11.603 -1.800 -3.424 433 HE3 LYS 58 2HE LYS 58 11.994 -0.138 -3.819 434 HZ1 LYS 58 1HZ LYS 58 14.347 -1.571 -3.909 435 HZ2 LYS 58 2HZ LYS 58 13.239 -2.459 -4.716 436 HZ3 LYS 58 3HZ LYS 58 13.531 -0.916 -5.163 437 H MET 59 H MET 59 14.565 1.635 1.325 438 HA MET 59 HA MET 59 14.502 4.475 1.284 439 HB2 MET 59 1HB MET 59 16.275 2.291 2.172 440 HB3 MET 59 2HB MET 59 17.200 3.554 1.383 441 HG2 MET 59 1HG MET 59 15.121 4.286 3.472 442 HG3 MET 59 2HG MET 59 16.706 3.734 3.974 443 HE1 MET 59 1HE MET 59 14.852 6.940 2.106 444 HE2 MET 59 2HE MET 59 14.689 6.322 3.767 445 HE3 MET 59 3HE MET 59 15.633 7.798 3.455 446 H THR 60 H THR 60 14.548 5.616 -0.604 447 HA THR 60 HA THR 60 15.619 4.426 -2.989 448 HB THR 60 HB THR 60 14.840 6.620 -3.960 449 HG1 THR 60 1HG THR 60 14.591 8.244 -2.470 450 HG21 THR 60 1HG2 THR 60 12.516 6.283 -3.634 451 HG22 THR 60 2HG2 THR 60 13.174 4.678 -3.236 452 HG23 THR 60 3HG2 THR 60 12.730 5.807 -1.933 453 H GLU 61 H GLU 61 16.844 6.510 -4.323 454 HA GLU 61 HA GLU 61 19.385 6.414 -3.005 455 HB2 GLU 61 1HB GLU 61 20.301 7.153 -5.111 456 HB3 GLU 61 2HB GLU 61 19.069 5.962 -5.473 457 HG2 GLU 61 1HG GLU 61 17.427 7.945 -5.746 458 HG3 GLU 61 2HG GLU 61 18.832 8.992 -5.698 459 H SER 62 H SER 62 16.684 8.490 -3.023 460 HA SER 62 HA SER 62 18.367 10.810 -2.529 461 HB2 SER 62 1HB SER 62 15.636 10.405 -3.638 462 HB3 SER 62 2HB SER 62 15.774 11.759 -2.535 463 HG SER 62 HG SER 62 17.333 11.294 -4.930 464 H GLY 63 H GLY 63 17.613 8.367 -0.732 465 HA2 GLY 63 1HA GLY 63 17.237 8.031 1.459 466 HA3 GLY 63 2HA GLY 63 17.463 9.752 1.706 467 H ARG 64 H ARG 64 14.975 8.364 -0.472 468 HA ARG 64 HA ARG 64 13.004 9.436 1.379 469 HB2 ARG 64 1HB ARG 64 13.287 9.481 -1.582 470 HB3 ARG 64 2HB ARG 64 11.673 9.062 -1.044 471 HG2 ARG 64 1HG ARG 64 11.688 11.110 0.448 472 HG3 ARG 64 2HG ARG 64 13.250 11.545 -0.218 473 HD2 ARG 64 1HD ARG 64 12.322 11.819 -2.452 474 HD3 ARG 64 2HD ARG 64 10.799 11.091 -1.979 475 HE ARG 64 HE ARG 64 11.598 13.849 -1.545 476 HH11 ARG 64 2HH2 ARG 64 9.651 11.243 -0.205 477 HH12 ARG 64 1HH2 ARG 64 8.560 12.308 0.617 478 HH21 ARG 64 2HH1 ARG 64 10.160 15.255 -0.461 479 HH22 ARG 64 1HH1 ARG 64 8.852 14.606 0.471 480 H LEU 65 H LEU 65 10.787 8.244 1.249 481 HA LEU 65 HA LEU 65 11.316 5.367 0.978 482 HB2 LEU 65 1HB LEU 65 9.389 6.776 2.830 483 HB3 LEU 65 2HB LEU 65 9.621 5.043 2.707 484 HG LEU 65 HG LEU 65 11.820 6.960 3.517 485 HD11 LEU 65 1HD1 LEU 65 11.132 6.995 5.644 486 HD12 LEU 65 2HD1 LEU 65 9.549 6.507 4.994 487 HD13 LEU 65 3HD1 LEU 65 10.669 5.276 5.625 488 HD21 LEU 65 1HD2 LEU 65 11.626 4.033 3.138 489 HD22 LEU 65 2HD2 LEU 65 13.028 5.124 3.028 490 HD23 LEU 65 3HD2 LEU 65 12.455 4.570 4.619 491 H CYS 66 H CYS 66 9.876 4.100 -0.199 492 HA CYS 66 HA CYS 66 7.391 5.189 -1.058 493 HB2 CYS 66 1HB CYS 66 9.654 5.746 -2.704 494 HB3 CYS 66 2HB CYS 66 8.699 4.530 -3.530 495 HG CYS 66 HG CYS 66 7.805 7.468 -2.304 496 H ALA 67 H ALA 67 6.154 3.488 -2.279 497 HA ALA 67 HA ALA 67 7.204 0.836 -1.605 498 HB1 ALA 67 1HB ALA 67 4.594 0.413 -2.159 499 HB2 ALA 67 2HB ALA 67 5.170 0.913 -0.550 500 HB3 ALA 67 3HB ALA 67 4.510 2.124 -1.676 501 H PHE 68 H PHE 68 7.152 -0.862 -3.171 502 HA PHE 68 HA PHE 68 6.437 -0.078 -5.878 503 HB2 PHE 68 1HB PHE 68 9.112 -1.358 -5.070 504 HB3 PHE 68 2HB PHE 68 8.673 -0.818 -6.678 505 HD1 PHE 68 1HD PHE 68 8.434 1.644 -7.117 506 HD2 PHE 68 2HD PHE 68 10.048 0.141 -3.492 507 HE1 PHE 68 1HE PHE 68 9.461 3.885 -6.645 508 HE2 PHE 68 2HE PHE 68 11.074 2.382 -3.019 509 HZ PHE 68 HZ PHE 68 10.769 4.227 -4.602 510 H ILE 69 H ILE 69 5.894 -1.853 -7.236 511 HA ILE 69 HA ILE 69 5.009 -4.144 -5.827 512 HB ILE 69 HB ILE 69 5.124 -3.445 -8.760 513 HG12 ILE 69 1HG1 ILE 69 2.775 -3.502 -6.845 514 HG13 ILE 69 2HG1 ILE 69 3.669 -2.054 -7.263 515 HG21 ILE 69 1HG2 ILE 69 4.224 -5.422 -9.354 516 HG22 ILE 69 2HG2 ILE 69 5.020 -5.999 -7.870 517 HG23 ILE 69 3HG2 ILE 69 3.291 -5.579 -7.847 518 HD11 ILE 69 1HD1 ILE 69 2.777 -1.939 -9.385 519 HD12 ILE 69 2HD1 ILE 69 2.738 -3.709 -9.575 520 HD13 ILE 69 3HD1 ILE 69 1.472 -2.887 -8.633 521 H THR 70 H THR 70 6.082 -5.983 -5.335 522 HA THR 70 HA THR 70 8.752 -6.302 -6.476 523 HB THR 70 HB THR 70 9.150 -7.665 -4.527 524 HG1 THR 70 1HG THR 70 6.247 -7.511 -4.151 525 HG21 THR 70 1HG2 THR 70 8.922 -6.012 -2.963 526 HG22 THR 70 2HG2 THR 70 8.009 -5.085 -4.178 527 HG23 THR 70 3HG2 THR 70 7.148 -6.135 -3.027 528 H LYS 71 H LYS 71 5.671 -8.147 -6.043 529 HA LYS 71 HA LYS 71 6.280 -9.522 -8.514 530 HB2 LYS 71 1HB LYS 71 7.380 -10.863 -6.702 531 HB3 LYS 71 2HB LYS 71 5.806 -11.098 -5.968 532 HG2 LYS 71 1HG LYS 71 5.056 -12.508 -7.668 533 HG3 LYS 71 2HG LYS 71 6.038 -11.735 -8.897 534 HD2 LYS 71 1HD LYS 71 8.056 -12.734 -7.428 535 HD3 LYS 71 2HD LYS 71 6.820 -13.856 -6.896 536 HE2 LYS 71 1HE LYS 71 6.459 -13.742 -9.690 537 HE3 LYS 71 2HE LYS 71 8.200 -13.700 -9.493 538 HZ1 LYS 71 1HZ LYS 71 6.921 -15.596 -7.796 539 HZ2 LYS 71 2HZ LYS 71 6.692 -15.905 -9.383 540 HZ3 LYS 71 3HZ LYS 71 8.207 -15.786 -8.785 541 H VAL 72 H VAL 72 4.367 -10.592 -9.419 542 HA VAL 72 HA VAL 72 1.890 -9.691 -8.125 543 HB VAL 72 HB VAL 72 2.495 -9.644 -11.087 544 HG11 VAL 72 1HG1 VAL 72 0.200 -9.874 -10.987 545 HG12 VAL 72 2HG1 VAL 72 0.071 -9.029 -9.426 546 HG13 VAL 72 3HG1 VAL 72 0.362 -8.103 -10.918 547 HG21 VAL 72 1HG2 VAL 72 2.208 -7.073 -10.604 548 HG22 VAL 72 2HG2 VAL 72 2.716 -7.534 -8.961 549 HG23 VAL 72 3HG2 VAL 72 3.779 -7.870 -10.349 550 H LYS 73 H LYS 73 0.257 -11.209 -8.027 551 HA LYS 73 HA LYS 73 1.008 -13.894 -8.591 552 HB2 LYS 73 1HB LYS 73 -0.319 -13.251 -6.619 553 HB3 LYS 73 2HB LYS 73 -1.625 -12.715 -7.656 554 HG2 LYS 73 1HG LYS 73 -2.221 -14.937 -6.991 555 HG3 LYS 73 2HG LYS 73 -1.672 -15.084 -8.649 556 HD2 LYS 73 1HD LYS 73 0.540 -15.865 -7.908 557 HD3 LYS 73 2HD LYS 73 0.132 -15.560 -6.231 558 HE2 LYS 73 1HE LYS 73 -1.962 -17.209 -7.037 559 HE3 LYS 73 2HE LYS 73 -0.623 -17.846 -7.970 560 HZ1 LYS 73 1HZ LYS 73 0.447 -17.467 -5.534 561 HZ2 LYS 73 2HZ LYS 73 -1.066 -17.962 -5.168 562 HZ3 LYS 73 3HZ LYS 73 -0.108 -18.893 -6.107 563 H LYS 74 H LYS 74 0.870 -14.920 -10.506 564 HA LYS 74 HA LYS 74 -0.434 -13.652 -12.692 565 HB2 LYS 74 1HB LYS 74 1.545 -14.804 -13.212 566 HB3 LYS 74 2HB LYS 74 1.081 -16.227 -12.301 567 HG2 LYS 74 1HG LYS 74 -0.876 -15.571 -14.411 568 HG3 LYS 74 2HG LYS 74 0.729 -15.841 -15.060 569 HD2 LYS 74 1HD LYS 74 0.284 -17.874 -13.082 570 HD3 LYS 74 2HD LYS 74 -1.170 -17.792 -14.056 571 HE2 LYS 74 1HE LYS 74 0.123 -19.283 -15.318 572 HE3 LYS 74 2HE LYS 74 0.507 -17.765 -16.106 573 HZ1 LYS 74 1HZ LYS 74 2.555 -18.618 -15.688 574 HZ2 LYS 74 2HZ LYS 74 2.370 -17.709 -14.344 575 HZ3 LYS 74 3HZ LYS 74 2.138 -19.324 -14.276 576 H GLY 75 H GLY 75 -2.631 -13.500 -12.653 577 HA2 GLY 75 1HA GLY 75 -4.631 -14.607 -13.261 578 HA3 GLY 75 2HA GLY 75 -4.104 -16.039 -12.399 579 H SER 76 H SER 76 -3.980 -12.598 -11.290 580 HA SER 76 HA SER 76 -6.042 -13.272 -9.359 581 HB2 SER 76 1HB SER 76 -3.317 -13.069 -8.701 582 HB3 SER 76 2HB SER 76 -3.967 -11.506 -8.247 583 HG SER 76 HG SER 76 -4.976 -12.401 -6.584 584 H LEU 77 H LEU 77 -6.835 -11.148 -8.215 585 HA LEU 77 HA LEU 77 -7.923 -9.453 -9.981 586 HB2 LEU 77 1HB LEU 77 -7.108 -9.142 -7.118 587 HB3 LEU 77 2HB LEU 77 -7.777 -7.768 -7.977 588 HG LEU 77 HG LEU 77 -9.254 -10.382 -8.022 589 HD11 LEU 77 1HD1 LEU 77 -9.909 -10.348 -5.886 590 HD12 LEU 77 2HD1 LEU 77 -8.487 -9.314 -5.609 591 HD13 LEU 77 3HD1 LEU 77 -10.086 -8.577 -5.867 592 HD21 LEU 77 1HD2 LEU 77 -9.717 -7.869 -9.107 593 HD22 LEU 77 2HD2 LEU 77 -10.901 -9.186 -8.922 594 HD23 LEU 77 3HD2 LEU 77 -10.773 -7.922 -7.675 595 H ALA 78 H ALA 78 -4.933 -8.597 -8.091 596 HA ALA 78 HA ALA 78 -4.366 -6.435 -9.848 597 HB1 ALA 78 1HB ALA 78 -2.053 -7.093 -8.383 598 HB2 ALA 78 2HB ALA 78 -3.287 -5.884 -7.953 599 HB3 ALA 78 3HB ALA 78 -3.414 -7.547 -7.330 600 H ASP 79 H ASP 79 -4.693 -8.142 -11.752 601 HA ASP 79 HA ASP 79 -2.266 -8.343 -12.998 602 HB2 ASP 79 1HB ASP 79 -2.179 -10.268 -11.162 603 HB3 ASP 79 2HB ASP 79 -3.221 -11.127 -12.278 604 H THR 80 H THR 80 -5.438 -10.005 -12.423 605 HA THR 80 HA THR 80 -5.799 -10.512 -15.248 606 HB THR 80 HB THR 80 -7.981 -11.489 -14.346 607 HG1 THR 80 1HG THR 80 -8.367 -10.421 -12.417 608 HG21 THR 80 1HG2 THR 80 -5.332 -12.280 -13.044 609 HG22 THR 80 2HG2 THR 80 -6.840 -13.178 -12.748 610 HG23 THR 80 3HG2 THR 80 -6.165 -13.090 -14.392 611 H VAL 81 H VAL 81 -7.006 -8.250 -12.738 612 HA VAL 81 HA VAL 81 -8.488 -6.890 -14.876 613 HB VAL 81 HB VAL 81 -9.667 -5.803 -12.929 614 HG11 VAL 81 1HG1 VAL 81 -10.340 -7.946 -14.327 615 HG12 VAL 81 2HG1 VAL 81 -10.117 -8.763 -12.761 616 HG13 VAL 81 3HG1 VAL 81 -11.292 -7.435 -12.912 617 HG21 VAL 81 1HG2 VAL 81 -8.431 -8.063 -11.325 618 HG22 VAL 81 2HG2 VAL 81 -7.897 -6.367 -11.243 619 HG23 VAL 81 3HG2 VAL 81 -9.549 -6.806 -10.745 620 H GLY 82 H GLY 82 -6.104 -6.553 -12.210 621 HA2 GLY 82 1HA GLY 82 -5.734 -3.733 -12.672 622 HA3 GLY 82 2HA GLY 82 -4.828 -4.774 -11.592 623 H HIS 83 H HIS 83 -4.127 -6.830 -13.573 624 HA HIS 83 HA HIS 83 -2.535 -7.298 -15.007 625 HB2 HIS 83 1HB HIS 83 -3.138 -4.582 -16.211 626 HB3 HIS 83 2HB HIS 83 -2.216 -5.858 -16.981 627 HD1 HIS 83 1HD HIS 83 -3.618 -8.166 -17.457 628 HD2 HIS 83 2HD HIS 83 -5.858 -4.719 -16.621 629 HE1 HIS 83 1HE HIS 83 -5.992 -8.643 -18.261 630 H LEU 84 H LEU 84 -2.133 -5.505 -12.473 631 HA LEU 84 HA LEU 84 -0.049 -3.771 -12.820 632 HB2 LEU 84 1HB LEU 84 -0.655 -5.640 -10.527 633 HB3 LEU 84 2HB LEU 84 0.525 -4.346 -10.455 634 HG LEU 84 HG LEU 84 -2.332 -3.755 -11.198 635 HD11 LEU 84 1HD1 LEU 84 -1.902 -3.217 -8.423 636 HD12 LEU 84 2HD1 LEU 84 -3.127 -4.255 -9.192 637 HD13 LEU 84 3HD1 LEU 84 -1.544 -4.932 -8.739 638 HD21 LEU 84 1HD2 LEU 84 -0.200 -2.104 -9.815 639 HD22 LEU 84 2HD2 LEU 84 -0.635 -2.009 -11.538 640 HD23 LEU 84 3HD2 LEU 84 -1.824 -1.555 -10.293 641 H ARG 85 H ARG 85 2.305 -4.157 -12.047 642 HA ARG 85 HA ARG 85 3.233 -6.787 -12.716 643 HB2 ARG 85 1HB ARG 85 3.873 -4.297 -14.341 644 HB3 ARG 85 2HB ARG 85 5.033 -5.608 -14.255 645 HG2 ARG 85 1HG ARG 85 2.137 -5.859 -15.199 646 HG3 ARG 85 2HG ARG 85 3.549 -5.842 -16.238 647 HD2 ARG 85 1HD ARG 85 4.235 -7.860 -14.481 648 HD3 ARG 85 2HD ARG 85 2.492 -8.038 -14.514 649 HE ARG 85 HE ARG 85 3.397 -7.727 -17.206 650 HH11 ARG 85 2HH2 ARG 85 3.571 -10.055 -14.573 651 HH12 ARG 85 1HH2 ARG 85 3.728 -11.424 -15.624 652 HH21 ARG 85 2HH1 ARG 85 3.603 -9.532 -18.592 653 HH22 ARG 85 1HH1 ARG 85 3.746 -11.124 -17.925 654 HA PRO 86 HA PRO 86 6.206 -5.612 -9.750 655 HB2 PRO 86 1HB PRO 86 8.238 -7.372 -10.245 656 HB3 PRO 86 2HB PRO 86 6.797 -7.800 -9.344 657 HG2 PRO 86 1HG PRO 86 7.528 -8.514 -12.118 658 HG3 PRO 86 2HG PRO 86 6.336 -9.258 -11.071 659 HD2 PRO 86 1HD PRO 86 5.826 -7.462 -13.249 660 HD3 PRO 86 2HD PRO 86 4.646 -8.115 -12.130 661 H GLY 87 H GLY 87 6.973 -3.588 -9.840 662 HA2 GLY 87 1HA GLY 87 9.392 -2.818 -10.367 663 HA3 GLY 87 2HA GLY 87 8.862 -3.040 -12.023 664 H ASP 88 H ASP 88 5.984 -2.300 -10.802 665 HA ASP 88 HA ASP 88 6.228 0.421 -11.568 666 HB2 ASP 88 1HB ASP 88 4.032 -1.494 -10.873 667 HB3 ASP 88 2HB ASP 88 3.675 0.198 -10.589 668 H GLU 89 H GLU 89 5.464 2.250 -10.137 669 HA GLU 89 HA GLU 89 6.038 1.626 -7.350 670 HB2 GLU 89 1HB GLU 89 7.622 3.211 -8.332 671 HB3 GLU 89 2HB GLU 89 6.319 4.226 -8.917 672 HG2 GLU 89 1HG GLU 89 5.611 4.721 -6.597 673 HG3 GLU 89 2HG GLU 89 6.819 3.620 -5.965 674 H VAL 90 H VAL 90 4.121 1.272 -6.285 675 HA VAL 90 HA VAL 90 1.708 2.508 -7.118 676 HB VAL 90 HB VAL 90 1.652 0.338 -6.156 677 HG11 VAL 90 1HG1 VAL 90 2.229 0.425 -3.484 678 HG12 VAL 90 2HG1 VAL 90 3.348 -0.141 -4.748 679 HG13 VAL 90 3HG1 VAL 90 3.458 1.530 -4.146 680 HG21 VAL 90 1HG2 VAL 90 -0.357 1.307 -5.583 681 HG22 VAL 90 2HG2 VAL 90 0.260 0.872 -3.970 682 HG23 VAL 90 3HG2 VAL 90 0.404 2.546 -4.556 683 H LEU 91 H LEU 91 1.827 4.756 -7.074 684 HA LEU 91 HA LEU 91 3.061 6.234 -5.082 685 HB2 LEU 91 1HB LEU 91 0.887 6.821 -7.073 686 HB3 LEU 91 2HB LEU 91 1.409 8.033 -5.920 687 HG LEU 91 HG LEU 91 3.018 6.747 -8.128 688 HD11 LEU 91 1HD1 LEU 91 1.615 8.625 -8.784 689 HD12 LEU 91 2HD1 LEU 91 2.332 9.632 -7.504 690 HD13 LEU 91 3HD1 LEU 91 3.337 9.068 -8.860 691 HD21 LEU 91 1HD2 LEU 91 4.688 6.745 -6.571 692 HD22 LEU 91 2HD2 LEU 91 4.827 8.420 -7.157 693 HD23 LEU 91 3HD2 LEU 91 3.975 8.078 -5.632 694 H GLU 92 H GLU 92 -0.486 5.532 -5.490 695 HA GLU 92 HA GLU 92 -0.661 5.860 -2.595 696 HB2 GLU 92 1HB GLU 92 -2.654 6.618 -4.769 697 HB3 GLU 92 2HB GLU 92 -3.098 6.524 -3.076 698 HG2 GLU 92 1HG GLU 92 -1.521 8.268 -2.469 699 HG3 GLU 92 2HG GLU 92 -0.755 8.216 -4.045 700 H TRP 93 H TRP 93 -2.665 4.640 -1.659 701 HA TRP 93 HA TRP 93 -3.277 2.241 -3.198 702 HB2 TRP 93 1HB TRP 93 -1.342 1.552 -1.979 703 HB3 TRP 93 2HB TRP 93 -1.946 2.250 -0.489 704 HD1 TRP 93 HD TRP 93 -4.269 0.945 0.528 705 HE1 TRP 93 1HE TRP 93 -4.935 -1.608 0.576 706 HE3 TRP 93 3HE TRP 93 -1.114 -0.488 -3.193 707 HZ2 TRP 93 2HZ TRP 93 -4.086 -3.889 -0.914 708 HZ3 TRP 93 3HZ TRP 93 -1.094 -2.897 -3.836 709 HH2 TRP 93 HH TRP 93 -2.513 -4.573 -2.762 710 H ASN 94 H ASN 94 -5.430 3.000 -3.400 711 HA ASN 94 HA ASN 94 -7.524 2.984 -2.751 712 HB2 ASN 94 1HB ASN 94 -6.474 1.585 -0.644 713 HB3 ASN 94 2HB ASN 94 -7.001 3.019 0.213 714 HD21 ASN 94 1HD2 ASN 94 -8.285 1.094 1.124 715 HD22 ASN 94 2HD2 ASN 94 -9.870 0.846 0.471 716 H GLY 95 H GLY 95 -5.065 5.126 -1.987 717 HA2 GLY 95 1HA GLY 95 -5.886 7.486 -2.250 718 HA3 GLY 95 2HA GLY 95 -6.893 7.156 -0.855 719 H ARG 96 H ARG 96 -4.481 5.264 0.039 720 HA ARG 96 HA ARG 96 -3.344 7.275 1.675 721 HB2 ARG 96 1HB ARG 96 -3.278 4.291 1.485 722 HB3 ARG 96 2HB ARG 96 -1.832 5.013 2.162 723 HG2 ARG 96 1HG ARG 96 -3.472 4.492 3.946 724 HG3 ARG 96 2HG ARG 96 -3.179 6.217 3.855 725 HD2 ARG 96 1HD ARG 96 -5.270 6.157 2.174 726 HD3 ARG 96 2HD ARG 96 -5.633 4.663 3.016 727 HE ARG 96 HE ARG 96 -5.059 6.596 5.008 728 HH11 ARG 96 2HH2 ARG 96 -7.465 6.063 2.496 729 HH12 ARG 96 1HH2 ARG 96 -8.718 6.912 3.338 730 HH21 ARG 96 2HH1 ARG 96 -6.711 7.716 6.119 731 HH22 ARG 96 1HH1 ARG 96 -8.286 7.858 5.413 732 H LEU 97 H LEU 97 -1.424 8.377 1.331 733 HA LEU 97 HA LEU 97 -0.006 7.852 -1.104 734 HB2 LEU 97 1HB LEU 97 -0.574 10.116 -0.173 735 HB3 LEU 97 2HB LEU 97 0.621 9.840 1.078 736 HG LEU 97 HG LEU 97 2.133 9.349 -1.122 737 HD11 LEU 97 1HD1 LEU 97 1.621 10.677 -2.954 738 HD12 LEU 97 2HD1 LEU 97 0.035 10.014 -2.489 739 HD13 LEU 97 3HD1 LEU 97 0.470 11.681 -2.040 740 HD21 LEU 97 1HD2 LEU 97 1.671 12.145 -0.064 741 HD22 LEU 97 2HD2 LEU 97 2.545 10.884 0.837 742 HD23 LEU 97 3HD2 LEU 97 3.168 11.451 -0.731 743 H LEU 98 H LEU 98 1.630 6.433 -1.334 744 HA LEU 98 HA LEU 98 2.797 5.315 1.065 745 HB2 LEU 98 1HB LEU 98 3.414 4.585 -1.790 746 HB3 LEU 98 2HB LEU 98 3.667 3.628 -0.344 747 HG LEU 98 HG LEU 98 1.075 4.244 -1.757 748 HD11 LEU 98 1HD1 LEU 98 0.897 1.948 -2.105 749 HD12 LEU 98 2HD1 LEU 98 2.630 2.272 -2.347 750 HD13 LEU 98 3HD1 LEU 98 2.064 1.559 -0.818 751 HD21 LEU 98 1HD2 LEU 98 1.487 3.801 1.114 752 HD22 LEU 98 2HD2 LEU 98 0.074 4.428 0.234 753 HD23 LEU 98 3HD2 LEU 98 0.331 2.672 0.367 754 H GLN 99 H GLN 99 3.378 7.901 -1.122 755 HA GLN 99 HA GLN 99 6.154 7.784 -1.238 756 HB2 GLN 99 1HB GLN 99 4.071 9.926 -1.643 757 HB3 GLN 99 2HB GLN 99 5.752 10.411 -1.549 758 HG2 GLN 99 1HG GLN 99 6.362 8.980 -3.420 759 HG3 GLN 99 2HG GLN 99 4.798 8.189 -3.407 760 HE21 GLN 99 1HE2 GLN 99 6.061 9.515 -5.594 761 HE22 GLN 99 2HE2 GLN 99 5.054 10.830 -6.100 762 H GLY 100 H GLY 100 7.543 7.832 0.473 763 HA2 GLY 100 1HA GLY 100 8.600 8.888 2.228 764 HA3 GLY 100 2HA GLY 100 7.197 9.903 2.493 765 H ALA 101 H ALA 101 5.451 7.311 2.243 766 HA ALA 101 HA ALA 101 5.095 6.889 4.952 767 HB1 ALA 101 1HB ALA 101 3.282 6.288 3.637 768 HB2 ALA 101 2HB ALA 101 4.298 5.495 2.409 769 HB3 ALA 101 3HB ALA 101 3.987 4.687 3.965 770 H THR 102 H THR 102 5.587 5.043 6.321 771 HA THR 102 HA THR 102 8.203 3.919 5.653 772 HB THR 102 HB THR 102 8.445 3.679 8.032 773 HG1 THR 102 1HG THR 102 5.597 4.307 8.208 774 HG21 THR 102 1HG2 THR 102 8.375 6.108 7.465 775 HG22 THR 102 2HG2 THR 102 6.600 6.087 7.593 776 HG23 THR 102 3HG2 THR 102 7.600 5.815 9.040 777 H PHE 103 H PHE 103 8.661 1.638 6.096 778 HA PHE 103 HA PHE 103 7.187 -0.071 4.682 779 HB2 PHE 103 1HB PHE 103 9.400 -0.536 5.753 780 HB3 PHE 103 2HB PHE 103 8.669 -0.485 7.345 781 HD1 PHE 103 2HD PHE 103 8.916 -2.442 4.234 782 HD2 PHE 103 1HD PHE 103 7.544 -2.387 8.249 783 HE1 PHE 103 2HE PHE 103 8.521 -4.919 4.133 784 HE2 PHE 103 1HE PHE 103 7.149 -4.864 8.148 785 HZ PHE 103 HZ PHE 103 7.642 -6.100 6.091 786 H GLU 104 H GLU 104 6.729 0.627 8.207 787 HA GLU 104 HA GLU 104 4.734 -1.246 8.587 788 HB2 GLU 104 1HB GLU 104 5.335 1.379 10.010 789 HB3 GLU 104 2HB GLU 104 4.131 0.242 10.582 790 HG2 GLU 104 1HG GLU 104 5.708 -1.315 11.260 791 HG3 GLU 104 2HG GLU 104 6.817 -0.926 9.960 792 H GLU 105 H GLU 105 4.553 2.287 7.783 793 HA GLU 105 HA GLU 105 1.863 2.574 7.855 794 HB2 GLU 105 1HB GLU 105 4.075 4.071 6.957 795 HB3 GLU 105 2HB GLU 105 3.029 3.975 5.555 796 HG2 GLU 105 1HG GLU 105 1.490 4.508 8.004 797 HG3 GLU 105 2HG GLU 105 2.735 5.717 7.757 798 H VAL 106 H VAL 106 3.758 1.987 4.797 799 HA VAL 106 HA VAL 106 1.751 1.560 3.079 800 HB VAL 106 HB VAL 106 4.291 -0.066 3.323 801 HG11 VAL 106 1HG1 VAL 106 3.071 0.568 0.677 802 HG12 VAL 106 2HG1 VAL 106 3.983 -0.865 1.209 803 HG13 VAL 106 3HG1 VAL 106 2.272 -0.680 1.664 804 HG21 VAL 106 1HG2 VAL 106 3.742 2.728 2.535 805 HG22 VAL 106 2HG2 VAL 106 5.249 1.965 3.097 806 HG23 VAL 106 3HG2 VAL 106 4.756 1.814 1.393 807 H TYR 107 H TYR 107 3.182 -0.993 5.234 808 HA TYR 107 HA TYR 107 1.519 -3.054 4.487 809 HB2 TYR 107 1HB TYR 107 3.597 -2.909 6.066 810 HB3 TYR 107 2HB TYR 107 2.514 -2.304 7.304 811 HD1 TYR 107 2HD TYR 107 0.289 -3.888 7.566 812 HD2 TYR 107 1HD TYR 107 4.141 -5.153 6.201 813 HE1 TYR 107 2HE TYR 107 -0.242 -6.276 8.258 814 HE2 TYR 107 1HE TYR 107 3.597 -7.537 6.898 815 HH TYR 107 HH TYR 107 0.916 -8.271 8.865 816 H ASN 108 H ASN 108 1.110 -0.895 7.391 817 HA ASN 108 HA ASN 108 -1.230 -1.840 8.259 818 HB2 ASN 108 1HB ASN 108 0.049 0.884 8.235 819 HB3 ASN 108 2HB ASN 108 -1.646 0.839 8.679 820 HD21 ASN 108 1HD2 ASN 108 0.655 1.505 10.294 821 HD22 ASN 108 2HD2 ASN 108 0.692 0.419 11.643 822 H ILE 109 H ILE 109 -0.746 0.850 5.841 823 HA ILE 109 HA ILE 109 -3.298 1.500 5.275 824 HB ILE 109 HB ILE 109 -0.958 1.203 3.392 825 HG12 ILE 109 1HG1 ILE 109 -2.031 3.635 4.851 826 HG13 ILE 109 2HG1 ILE 109 -0.641 2.698 5.359 827 HG21 ILE 109 1HG2 ILE 109 -2.104 2.657 1.855 828 HG22 ILE 109 2HG2 ILE 109 -3.129 1.240 2.185 829 HG23 ILE 109 3HG2 ILE 109 -3.494 2.801 2.958 830 HD11 ILE 109 1HD1 ILE 109 -0.524 3.489 2.508 831 HD12 ILE 109 2HD1 ILE 109 -0.555 4.867 3.635 832 HD13 ILE 109 3HD1 ILE 109 0.716 3.628 3.779 833 H ILE 110 H ILE 110 -1.459 -1.017 3.397 834 HA ILE 110 HA ILE 110 -3.606 -1.976 1.993 835 HB ILE 110 HB ILE 110 -1.027 -3.192 2.922 836 HG12 ILE 110 1HG1 ILE 110 -1.623 -3.012 0.059 837 HG13 ILE 110 2HG1 ILE 110 -1.693 -1.457 0.864 838 HG21 ILE 110 1HG2 ILE 110 -1.497 -5.118 1.412 839 HG22 ILE 110 2HG2 ILE 110 -2.512 -5.077 2.873 840 HG23 ILE 110 3HG2 ILE 110 -3.187 -4.569 1.307 841 HD11 ILE 110 1HD1 ILE 110 0.636 -3.427 0.929 842 HD12 ILE 110 2HD1 ILE 110 0.597 -1.844 0.117 843 HD13 ILE 110 3HD1 ILE 110 0.565 -1.933 1.894 844 H LEU 111 H LEU 111 -2.591 -2.638 5.357 845 HA LEU 111 HA LEU 111 -4.374 -4.812 5.707 846 HB2 LEU 111 1HB LEU 111 -2.587 -4.830 7.149 847 HB3 LEU 111 2HB LEU 111 -2.655 -3.105 7.448 848 HG LEU 111 HG LEU 111 -4.925 -3.665 8.638 849 HD11 LEU 111 1HD1 LEU 111 -5.408 -5.863 8.333 850 HD12 LEU 111 2HD1 LEU 111 -3.697 -6.346 8.229 851 HD13 LEU 111 3HD1 LEU 111 -4.433 -6.011 9.815 852 HD21 LEU 111 1HD2 LEU 111 -2.199 -3.453 9.494 853 HD22 LEU 111 2HD2 LEU 111 -3.689 -2.967 10.339 854 HD23 LEU 111 3HD2 LEU 111 -3.051 -4.617 10.538 855 H GLU 112 H GLU 112 -4.636 -1.286 5.818 856 HA GLU 112 HA GLU 112 -7.053 -1.330 7.300 857 HB2 GLU 112 1HB GLU 112 -5.443 0.761 5.835 858 HB3 GLU 112 2HB GLU 112 -7.097 1.135 6.277 859 HG2 GLU 112 1HG GLU 112 -5.809 -0.116 8.550 860 HG3 GLU 112 2HG GLU 112 -4.764 1.161 7.959 861 H SER 113 H SER 113 -6.136 -1.861 3.984 862 HA SER 113 HA SER 113 -8.876 -1.352 3.144 863 HB2 SER 113 1HB SER 113 -8.082 -0.837 1.043 864 HB3 SER 113 2HB SER 113 -6.649 -0.429 1.965 865 HG SER 113 HG SER 113 -6.117 -2.863 1.566 866 H LYS 114 H LYS 114 -7.528 -3.751 4.657 867 HA LYS 114 HA LYS 114 -7.550 -5.915 2.847 868 HB2 LYS 114 1HB LYS 114 -7.229 -5.483 5.746 869 HB3 LYS 114 2HB LYS 114 -7.963 -7.019 5.331 870 HG2 LYS 114 1HG LYS 114 -6.080 -7.427 3.687 871 HG3 LYS 114 2HG LYS 114 -5.329 -5.937 4.223 872 HD2 LYS 114 1HD LYS 114 -4.241 -7.556 5.548 873 HD3 LYS 114 2HD LYS 114 -5.481 -6.956 6.631 874 HE2 LYS 114 1HE LYS 114 -6.928 -8.931 5.508 875 HE3 LYS 114 2HE LYS 114 -5.341 -9.600 5.184 876 HZ1 LYS 114 1HZ LYS 114 -4.838 -9.445 7.508 877 HZ2 LYS 114 2HZ LYS 114 -6.273 -8.739 7.835 878 HZ3 LYS 114 3HZ LYS 114 -6.224 -10.287 7.317 879 HA PRO 115 HA PRO 115 -11.957 -6.477 4.455 880 HB2 PRO 115 1HB PRO 115 -13.135 -4.521 5.957 881 HB3 PRO 115 2HB PRO 115 -12.354 -5.926 6.655 882 HG2 PRO 115 1HG PRO 115 -11.382 -3.137 6.527 883 HG3 PRO 115 2HG PRO 115 -10.841 -4.442 7.565 884 HD2 PRO 115 1HD PRO 115 -9.509 -3.441 5.230 885 HD3 PRO 115 2HD PRO 115 -9.029 -4.819 6.200 886 H GLU 116 H GLU 116 -11.013 -3.269 3.549 887 HA GLU 116 HA GLU 116 -13.223 -2.228 2.544 888 HB2 GLU 116 1HB GLU 116 -10.361 -2.150 1.802 889 HB3 GLU 116 2HB GLU 116 -11.424 -1.721 0.477 890 HG2 GLU 116 1HG GLU 116 -12.224 -0.481 3.046 891 HG3 GLU 116 2HG GLU 116 -10.615 -0.013 2.534 892 HA PRO 117 HA PRO 117 -14.702 -4.893 -0.553 893 HB2 PRO 117 1HB PRO 117 -16.426 -3.223 -1.858 894 HB3 PRO 117 2HB PRO 117 -16.833 -4.043 -0.363 895 HG2 PRO 117 1HG PRO 117 -16.144 -1.200 -0.789 896 HG3 PRO 117 2HG PRO 117 -16.951 -1.940 0.578 897 HD2 PRO 117 1HD PRO 117 -14.218 -1.078 0.459 898 HD3 PRO 117 2HD PRO 117 -14.994 -1.923 1.784 899 H GLN 118 H GLN 118 -13.166 -1.928 -1.384 900 HA GLN 118 HA GLN 118 -12.228 -3.271 -3.771 901 HB2 GLN 118 1HB GLN 118 -12.640 -1.338 -5.196 902 HB3 GLN 118 2HB GLN 118 -14.151 -1.823 -4.455 903 HG2 GLN 118 1HG GLN 118 -13.403 -0.058 -2.571 904 HG3 GLN 118 2HG GLN 118 -12.447 0.602 -3.883 905 HE21 GLN 118 1HE2 GLN 118 -13.731 0.627 -6.055 906 HE22 GLN 118 2HE2 GLN 118 -15.300 1.357 -5.988 907 H VAL 119 H VAL 119 -10.314 -1.941 -4.769 908 HA VAL 119 HA VAL 119 -8.955 -0.330 -2.768 909 HB VAL 119 HB VAL 119 -7.646 -2.745 -4.023 910 HG11 VAL 119 1HG1 VAL 119 -5.792 -2.294 -2.636 911 HG12 VAL 119 2HG1 VAL 119 -6.269 -0.709 -3.291 912 HG13 VAL 119 3HG1 VAL 119 -6.714 -1.154 -1.626 913 HG21 VAL 119 1HG2 VAL 119 -7.838 -3.872 -1.878 914 HG22 VAL 119 2HG2 VAL 119 -8.691 -2.472 -1.184 915 HG23 VAL 119 3HG2 VAL 119 -9.457 -3.433 -2.471 916 H GLU 120 H GLU 120 -8.567 1.520 -3.869 917 HA GLU 120 HA GLU 120 -8.076 1.281 -6.710 918 HB2 GLU 120 1HB GLU 120 -9.798 2.892 -5.964 919 HB3 GLU 120 2HB GLU 120 -8.623 3.719 -4.960 920 HG2 GLU 120 1HG GLU 120 -7.285 3.818 -7.326 921 HG3 GLU 120 2HG GLU 120 -8.920 3.738 -7.950 922 H LEU 121 H LEU 121 -5.959 0.962 -7.264 923 HA LEU 121 HA LEU 121 -3.906 2.083 -5.543 924 HB2 LEU 121 1HB LEU 121 -3.759 0.203 -7.903 925 HB3 LEU 121 2HB LEU 121 -2.386 0.732 -6.951 926 HG LEU 121 HG LEU 121 -4.491 -1.261 -6.324 927 HD11 LEU 121 1HD1 LEU 121 -2.163 -1.862 -6.905 928 HD12 LEU 121 2HD1 LEU 121 -1.601 -1.008 -5.449 929 HD13 LEU 121 3HD1 LEU 121 -2.649 -2.438 -5.292 930 HD21 LEU 121 1HD2 LEU 121 -4.173 -1.010 -3.881 931 HD22 LEU 121 2HD2 LEU 121 -3.310 0.519 -4.175 932 HD23 LEU 121 3HD2 LEU 121 -5.026 0.365 -4.621 933 H VAL 122 H VAL 122 -1.993 3.178 -6.636 934 HA VAL 122 HA VAL 122 -2.684 4.537 -9.099 935 HB VAL 122 HB VAL 122 -2.037 6.086 -6.587 936 HG11 VAL 122 1HG1 VAL 122 -2.876 6.958 -9.373 937 HG12 VAL 122 2HG1 VAL 122 -2.710 8.039 -7.969 938 HG13 VAL 122 3HG1 VAL 122 -1.283 7.192 -8.613 939 HG21 VAL 122 1HG2 VAL 122 -4.271 5.051 -6.416 940 HG22 VAL 122 2HG2 VAL 122 -4.366 6.822 -6.569 941 HG23 VAL 122 3HG2 VAL 122 -4.723 5.786 -7.972 942 H VAL 123 H VAL 123 -0.935 3.853 -10.257 943 HA VAL 123 HA VAL 123 1.672 4.048 -8.924 944 HB VAL 123 HB VAL 123 1.468 1.863 -9.581 945 HG11 VAL 123 1HG1 VAL 123 -0.018 2.830 -12.043 946 HG12 VAL 123 2HG1 VAL 123 0.453 1.137 -11.760 947 HG13 VAL 123 3HG1 VAL 123 -0.684 1.942 -10.651 948 HG21 VAL 123 1HG2 VAL 123 2.665 3.308 -11.966 949 HG22 VAL 123 2HG2 VAL 123 3.516 2.683 -10.533 950 HG23 VAL 123 3HG2 VAL 123 2.785 1.552 -11.697 951 H SER 124 H SER 124 3.507 4.789 -10.343 952 HA SER 124 HA SER 124 2.588 6.520 -12.476 953 HB2 SER 124 1HB SER 124 2.732 7.908 -10.403 954 HB3 SER 124 2HB SER 124 4.408 7.437 -10.205 955 HG SER 124 HG SER 124 4.487 8.329 -12.612 956 H ARG 125 H ARG 125 3.949 6.409 -14.254 957 HA ARG 125 HA ARG 125 6.623 5.400 -13.743 958 HB2 ARG 125 1HB ARG 125 6.482 3.883 -15.656 959 HB3 ARG 125 2HB ARG 125 5.124 3.551 -14.600 960 HG2 ARG 125 1HG ARG 125 4.391 5.640 -16.494 961 HG3 ARG 125 2HG ARG 125 5.045 4.267 -17.364 962 HD2 ARG 125 1HD ARG 125 2.660 4.325 -15.478 963 HD3 ARG 125 2HD ARG 125 2.699 3.816 -17.154 964 HE ARG 125 HE ARG 125 3.546 2.231 -14.817 965 HH11 ARG 125 2HH2 ARG 125 3.602 2.547 -18.321 966 HH12 ARG 125 1HH2 ARG 125 3.955 0.873 -18.594 967 HH21 ARG 125 2HH1 ARG 125 4.012 0.023 -15.176 968 HH22 ARG 125 1HH1 ARG 125 4.190 -0.572 -16.793 969 H SER 126 H SER 126 8.191 5.961 -15.520 970 HA SER 126 HA SER 126 7.544 8.556 -16.534 971 HB2 SER 126 1HB SER 126 9.862 8.815 -16.907 972 HB3 SER 126 2HB SER 126 9.790 7.804 -15.478 973 HG SER 126 HG SER 126 10.385 7.030 -18.190 974 H GLY 127 H GLY 127 6.762 8.937 -18.577 975 HA2 GLY 127 1HA GLY 127 6.202 6.848 -20.372 976 HA3 GLY 127 2HA GLY 127 6.113 8.568 -20.697 977 HA PRO 128 HA PRO 128 9.583 6.919 -23.133 978 HB2 PRO 128 1HB PRO 128 8.720 7.702 -25.605 979 HB3 PRO 128 2HB PRO 128 8.434 6.101 -24.952 980 HG2 PRO 128 1HG PRO 128 6.538 8.351 -25.243 981 HG3 PRO 128 2HG PRO 128 6.194 6.649 -25.003 982 HD2 PRO 128 1HD PRO 128 6.042 8.726 -23.030 983 HD3 PRO 128 2HD PRO 128 5.812 7.009 -22.764 984 H SER 129 H SER 129 11.047 8.100 -24.824 985 HA SER 129 HA SER 129 12.292 9.828 -25.243 986 HB2 SER 129 1HB SER 129 9.633 10.993 -24.996 987 HB3 SER 129 2HB SER 129 10.836 12.138 -24.438 988 HG SER 129 HG SER 129 10.424 11.058 -27.033 989 H SER 130 H SER 130 13.626 9.050 -23.402 990 HA SER 130 HA SER 130 13.213 10.083 -20.836 991 HB2 SER 130 1HB SER 130 15.814 9.028 -22.027 992 HB3 SER 130 2HB SER 130 15.409 9.117 -20.325 993 HG SER 130 HG SER 130 14.677 7.123 -20.596 994 H GLY 131 H GLY 131 15.025 11.431 -19.681 995 HA2 GLY 131 1HA GLY 131 16.373 13.250 -19.564 996 HA3 GLY 131 2HA GLY 131 16.535 13.248 -21.309 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -48.466 9.712 -12.358 2 HA2 GLY 1 1HA GLY 1 -48.092 10.619 -9.850 3 HA3 GLY 1 2HA GLY 1 -49.150 9.246 -9.586 4 H SER 2 H SER 2 -45.949 10.308 -10.724 5 HA SER 2 HA SER 2 -44.746 7.977 -9.862 6 HB2 SER 2 1HB SER 2 -45.997 7.377 -12.184 7 HB3 SER 2 2HB SER 2 -44.520 8.038 -12.857 8 HG SER 2 HG SER 2 -44.947 5.611 -11.579 9 H SER 3 H SER 3 -42.545 8.418 -9.598 10 HA SER 3 HA SER 3 -41.697 10.952 -10.714 11 HB2 SER 3 1HB SER 3 -41.468 9.842 -8.163 12 HB3 SER 3 2HB SER 3 -39.865 9.599 -8.830 13 HG SER 3 HG SER 3 -41.025 12.156 -9.251 14 H GLY 4 H GLY 4 -39.338 11.097 -11.460 15 HA2 GLY 4 1HA GLY 4 -37.758 8.904 -12.064 16 HA3 GLY 4 2HA GLY 4 -38.839 9.111 -13.428 17 H SER 5 H SER 5 -36.782 11.141 -11.214 18 HA SER 5 HA SER 5 -35.389 12.180 -13.440 19 HB2 SER 5 1HB SER 5 -37.768 13.562 -12.672 20 HB3 SER 5 2HB SER 5 -36.430 14.536 -12.095 21 HG SER 5 HG SER 5 -35.650 14.791 -14.169 22 H SER 6 H SER 6 -33.527 11.488 -12.291 23 HA SER 6 HA SER 6 -32.978 13.109 -9.941 24 HB2 SER 6 1HB SER 6 -32.610 10.105 -10.238 25 HB3 SER 6 2HB SER 6 -31.706 11.027 -9.053 26 HG SER 6 HG SER 6 -34.017 9.992 -8.595 27 H GLY 7 H GLY 7 -31.001 14.141 -10.081 28 HA2 GLY 7 1HA GLY 7 -29.474 14.007 -12.434 29 HA3 GLY 7 2HA GLY 7 -29.028 14.797 -10.935 30 H HIS 8 H HIS 8 -26.807 13.985 -11.637 31 HA HIS 8 HA HIS 8 -26.442 11.312 -10.513 32 HB2 HIS 8 1HB HIS 8 -25.213 10.534 -12.265 33 HB3 HIS 8 2HB HIS 8 -26.333 11.566 -13.132 34 HD1 HIS 8 1HD HIS 8 -25.295 13.226 -14.693 35 HD2 HIS 8 2HD HIS 8 -22.622 11.964 -11.717 36 HE1 HIS 8 1HE HIS 8 -23.047 14.296 -15.251 37 H SER 9 H SER 9 -24.472 11.016 -9.336 38 HA SER 9 HA SER 9 -23.032 13.514 -8.903 39 HB2 SER 9 1HB SER 9 -24.643 12.169 -7.030 40 HB3 SER 9 2HB SER 9 -23.015 11.686 -6.599 41 HG SER 9 HG SER 9 -23.645 14.452 -7.100 42 H HIS 10 H HIS 10 -22.901 9.932 -8.233 43 HA HIS 10 HA HIS 10 -20.061 9.947 -8.309 44 HB2 HIS 10 1HB HIS 10 -22.060 7.668 -8.293 45 HB3 HIS 10 2HB HIS 10 -20.326 7.480 -8.113 46 HD1 HIS 10 1HD HIS 10 -23.402 8.232 -6.212 47 HD2 HIS 10 2HD HIS 10 -19.266 8.658 -5.653 48 HE1 HIS 10 1HE HIS 10 -23.056 8.638 -3.717 49 H SER 11 H SER 11 -18.734 8.704 -9.868 50 HA SER 11 HA SER 11 -19.883 7.867 -12.284 51 HB2 SER 11 1HB SER 11 -18.520 10.584 -12.230 52 HB3 SER 11 2HB SER 11 -18.597 9.628 -13.696 53 HG SER 11 HG SER 11 -20.371 11.176 -13.485 54 H ASP 12 H ASP 12 -18.540 6.090 -11.277 55 HA ASP 12 HA ASP 12 -15.743 6.483 -12.001 56 HB2 ASP 12 1HB ASP 12 -16.456 6.161 -9.464 57 HB3 ASP 12 2HB ASP 12 -16.647 4.478 -9.913 58 H LYS 13 H LYS 13 -16.525 5.622 -14.163 59 HA LYS 13 HA LYS 13 -17.681 3.030 -14.283 60 HB2 LYS 13 1HB LYS 13 -16.526 4.937 -16.319 61 HB3 LYS 13 2HB LYS 13 -17.046 3.325 -16.767 62 HG2 LYS 13 1HG LYS 13 -19.316 3.748 -16.145 63 HG3 LYS 13 2HG LYS 13 -18.887 5.143 -15.176 64 HD2 LYS 13 1HD LYS 13 -18.132 6.312 -17.308 65 HD3 LYS 13 2HD LYS 13 -18.745 4.946 -18.220 66 HE2 LYS 13 1HE LYS 13 -20.763 5.888 -16.319 67 HE3 LYS 13 2HE LYS 13 -20.214 7.210 -17.330 68 HZ1 LYS 13 1HZ LYS 13 -20.703 4.748 -18.718 69 HZ2 LYS 13 2HZ LYS 13 -22.032 5.447 -18.075 70 HZ3 LYS 13 3HZ LYS 13 -21.104 6.276 -19.132 71 H HIS 14 H HIS 14 -14.993 3.430 -16.453 72 HA HIS 14 HA HIS 14 -13.880 1.023 -15.943 73 HB2 HIS 14 1HB HIS 14 -11.717 2.203 -16.834 74 HB3 HIS 14 2HB HIS 14 -13.112 1.979 -17.871 75 HD1 HIS 14 1HD HIS 14 -12.094 4.730 -15.377 76 HD2 HIS 14 2HD HIS 14 -13.534 4.258 -19.289 77 HE1 HIS 14 1HE HIS 14 -12.363 7.082 -16.329 78 HA PRO 15 HA PRO 15 -12.119 1.595 -11.993 79 HB2 PRO 15 1HB PRO 15 -11.191 -0.951 -11.641 80 HB3 PRO 15 2HB PRO 15 -12.838 -0.473 -11.281 81 HG2 PRO 15 1HG PRO 15 -11.820 -2.036 -13.575 82 HG3 PRO 15 2HG PRO 15 -13.461 -1.911 -12.974 83 HD2 PRO 15 1HD PRO 15 -12.379 -0.612 -15.290 84 HD3 PRO 15 2HD PRO 15 -13.985 -0.397 -14.623 85 H VAL 16 H VAL 16 -10.399 0.313 -14.720 86 HA VAL 16 HA VAL 16 -7.912 1.199 -13.445 87 HB VAL 16 HB VAL 16 -8.335 -0.591 -15.846 88 HG11 VAL 16 1HG1 VAL 16 -5.848 -0.045 -14.189 89 HG12 VAL 16 2HG1 VAL 16 -5.973 -1.167 -15.565 90 HG13 VAL 16 3HG1 VAL 16 -6.169 0.583 -15.823 91 HG21 VAL 16 1HG2 VAL 16 -8.934 -1.234 -13.234 92 HG22 VAL 16 2HG2 VAL 16 -8.505 -2.394 -14.514 93 HG23 VAL 16 3HG2 VAL 16 -7.255 -1.801 -13.394 94 H THR 17 H THR 17 -6.592 2.747 -14.441 95 HA THR 17 HA THR 17 -7.321 3.748 -17.048 96 HB THR 17 HB THR 17 -7.395 6.137 -15.743 97 HG1 THR 17 1HG THR 17 -7.311 5.289 -13.626 98 HG21 THR 17 1HG2 THR 17 -9.263 4.761 -17.139 99 HG22 THR 17 2HG2 THR 17 -9.930 4.519 -15.506 100 HG23 THR 17 3HG2 THR 17 -9.701 6.167 -16.139 101 H TRP 18 H TRP 18 -5.562 4.428 -18.137 102 HA TRP 18 HA TRP 18 -3.172 4.961 -16.508 103 HB2 TRP 18 1HB TRP 18 -3.439 3.333 -19.033 104 HB3 TRP 18 2HB TRP 18 -1.908 3.988 -18.487 105 HD1 TRP 18 HD TRP 18 -4.492 1.295 -17.540 106 HE1 TRP 18 1HE TRP 18 -3.495 -0.423 -15.803 107 HE3 TRP 18 3HE TRP 18 -0.186 3.859 -16.683 108 HZ2 TRP 18 2HZ TRP 18 -1.071 -0.514 -14.299 109 HZ3 TRP 18 3HZ TRP 18 1.443 2.887 -15.066 110 HH2 TRP 18 HH TRP 18 1.056 0.778 -13.892 111 H GLN 19 H GLN 19 -2.859 7.148 -16.658 112 HA GLN 19 HA GLN 19 -2.890 8.249 -19.336 113 HB2 GLN 19 1HB GLN 19 -4.330 9.505 -16.957 114 HB3 GLN 19 2HB GLN 19 -4.079 10.300 -18.499 115 HG2 GLN 19 1HG GLN 19 -5.407 7.576 -18.420 116 HG3 GLN 19 2HG GLN 19 -6.344 9.005 -18.034 117 HE21 GLN 19 1HE2 GLN 19 -6.569 7.159 -20.268 118 HE22 GLN 19 2HE2 GLN 19 -6.417 8.080 -21.727 119 HA PRO 20 HA PRO 20 0.697 10.209 -17.881 120 HB2 PRO 20 1HB PRO 20 0.907 12.355 -19.560 121 HB3 PRO 20 2HB PRO 20 1.382 10.732 -20.017 122 HG2 PRO 20 1HG PRO 20 -1.020 12.254 -20.822 123 HG3 PRO 20 2HG PRO 20 -0.315 10.837 -21.574 124 HD2 PRO 20 1HD PRO 20 -2.650 10.914 -19.910 125 HD3 PRO 20 2HD PRO 20 -1.878 9.485 -20.567 126 H SER 21 H SER 21 1.689 11.949 -16.697 127 HA SER 21 HA SER 21 -0.250 13.103 -15.025 128 HB2 SER 21 1HB SER 21 1.604 13.995 -13.797 129 HB3 SER 21 2HB SER 21 2.126 12.431 -14.390 130 HG SER 21 HG SER 21 3.481 13.373 -15.863 131 H LYS 22 H LYS 22 0.539 15.718 -14.507 132 HA LYS 22 HA LYS 22 -0.760 17.141 -16.505 133 HB2 LYS 22 1HB LYS 22 0.535 17.670 -13.955 134 HB3 LYS 22 2HB LYS 22 0.835 18.966 -15.094 135 HG2 LYS 22 1HG LYS 22 -1.217 19.657 -14.234 136 HG3 LYS 22 2HG LYS 22 -1.767 18.727 -15.613 137 HD2 LYS 22 1HD LYS 22 -1.546 16.758 -13.665 138 HD3 LYS 22 2HD LYS 22 -2.039 18.143 -12.711 139 HE2 LYS 22 1HE LYS 22 -3.498 17.515 -15.295 140 HE3 LYS 22 2HE LYS 22 -3.874 16.602 -13.848 141 HZ1 LYS 22 1HZ LYS 22 -5.270 18.519 -14.029 142 HZ2 LYS 22 2HZ LYS 22 -4.301 18.696 -12.726 143 HZ3 LYS 22 3HZ LYS 22 -3.987 19.528 -14.096 144 H ASP 23 H ASP 23 2.723 16.474 -15.924 145 HA ASP 23 HA ASP 23 3.580 18.241 -17.927 146 HB2 ASP 23 1HB ASP 23 4.740 16.273 -16.079 147 HB3 ASP 23 2HB ASP 23 5.525 16.200 -17.645 148 H GLY 24 H GLY 24 3.941 14.614 -17.756 149 HA2 GLY 24 1HA GLY 24 2.641 13.464 -19.623 150 HA3 GLY 24 2HA GLY 24 3.568 14.509 -20.681 151 H ASP 25 H ASP 25 5.926 14.378 -18.674 152 HA ASP 25 HA ASP 25 7.306 12.384 -19.980 153 HB2 ASP 25 1HB ASP 25 7.771 13.836 -17.344 154 HB3 ASP 25 2HB ASP 25 8.925 12.667 -17.955 155 H ARG 26 H ARG 26 5.253 12.427 -17.080 156 HA ARG 26 HA ARG 26 6.121 9.737 -16.433 157 HB2 ARG 26 1HB ARG 26 4.638 11.898 -14.889 158 HB3 ARG 26 2HB ARG 26 4.560 10.231 -14.355 159 HG2 ARG 26 1HG ARG 26 7.232 11.569 -14.926 160 HG3 ARG 26 2HG ARG 26 6.442 11.758 -13.373 161 HD2 ARG 26 1HD ARG 26 6.875 9.586 -12.733 162 HD3 ARG 26 2HD ARG 26 6.574 8.941 -14.334 163 HE ARG 26 HE ARG 26 8.851 9.214 -14.869 164 HH11 ARG 26 2HH2 ARG 26 8.115 10.909 -11.875 165 HH12 ARG 26 1HH2 ARG 26 9.776 11.221 -11.494 166 HH21 ARG 26 2HH1 ARG 26 11.042 9.626 -14.367 167 HH22 ARG 26 1HH1 ARG 26 11.452 10.486 -12.921 168 H LEU 27 H LEU 27 4.308 8.160 -15.780 169 HA LEU 27 HA LEU 27 1.855 8.734 -17.284 170 HB2 LEU 27 1HB LEU 27 3.689 7.120 -18.299 171 HB3 LEU 27 2HB LEU 27 2.966 5.965 -17.198 172 HG LEU 27 HG LEU 27 1.456 5.520 -18.761 173 HD11 LEU 27 1HD1 LEU 27 -0.453 6.874 -18.969 174 HD12 LEU 27 2HD1 LEU 27 0.204 7.244 -17.357 175 HD13 LEU 27 3HD1 LEU 27 0.472 8.372 -18.707 176 HD21 LEU 27 1HD2 LEU 27 2.364 5.991 -20.739 177 HD22 LEU 27 2HD2 LEU 27 1.366 7.465 -20.730 178 HD23 LEU 27 3HD2 LEU 27 3.049 7.526 -20.154 179 H ILE 28 H ILE 28 0.326 9.008 -15.739 180 HA ILE 28 HA ILE 28 0.555 7.539 -13.266 181 HB ILE 28 HB ILE 28 -1.597 9.456 -14.155 182 HG12 ILE 28 1HG1 ILE 28 0.442 10.656 -14.401 183 HG13 ILE 28 2HG1 ILE 28 -0.283 11.172 -12.892 184 HG21 ILE 28 1HG2 ILE 28 -0.978 9.480 -11.347 185 HG22 ILE 28 2HG2 ILE 28 -2.517 9.120 -12.166 186 HG23 ILE 28 3HG2 ILE 28 -1.339 7.818 -11.874 187 HD11 ILE 28 1HD1 ILE 28 1.924 10.806 -12.216 188 HD12 ILE 28 2HD1 ILE 28 1.201 9.221 -11.849 189 HD13 ILE 28 3HD1 ILE 28 2.149 9.443 -13.339 190 H GLY 29 H GLY 29 -0.399 5.618 -12.845 191 HA2 GLY 29 1HA GLY 29 -2.630 4.806 -14.610 192 HA3 GLY 29 2HA GLY 29 -1.323 3.723 -14.175 193 H ARG 30 H ARG 30 -4.426 4.007 -13.567 194 HA ARG 30 HA ARG 30 -4.128 3.709 -10.688 195 HB2 ARG 30 1HB ARG 30 -5.913 5.310 -12.169 196 HB3 ARG 30 2HB ARG 30 -6.896 3.938 -11.697 197 HG2 ARG 30 1HG ARG 30 -6.132 4.265 -9.306 198 HG3 ARG 30 2HG ARG 30 -5.254 5.694 -9.812 199 HD2 ARG 30 1HD ARG 30 -7.979 5.854 -10.817 200 HD3 ARG 30 2HD ARG 30 -8.023 5.501 -9.101 201 HE ARG 30 HE ARG 30 -6.097 7.534 -9.406 202 HH11 ARG 30 2HH2 ARG 30 -9.538 7.141 -10.028 203 HH12 ARG 30 1HH2 ARG 30 -9.901 8.819 -9.796 204 HH21 ARG 30 2HH1 ARG 30 -6.576 9.747 -9.101 205 HH22 ARG 30 1HH1 ARG 30 -8.205 10.311 -9.266 206 H ILE 31 H ILE 31 -5.314 1.920 -9.645 207 HA ILE 31 HA ILE 31 -6.424 -0.068 -11.453 208 HB ILE 31 HB ILE 31 -3.967 -0.435 -9.771 209 HG12 ILE 31 1HG1 ILE 31 -3.696 -1.916 -12.057 210 HG13 ILE 31 2HG1 ILE 31 -4.702 -0.600 -12.628 211 HG21 ILE 31 1HG2 ILE 31 -5.061 -2.240 -8.898 212 HG22 ILE 31 2HG2 ILE 31 -6.123 -2.431 -10.313 213 HG23 ILE 31 3HG2 ILE 31 -4.427 -2.965 -10.395 214 HD11 ILE 31 1HD1 ILE 31 -1.977 -0.454 -12.444 215 HD12 ILE 31 2HD1 ILE 31 -3.044 0.969 -12.365 216 HD13 ILE 31 3HD1 ILE 31 -2.441 0.225 -10.865 217 H LEU 32 H LEU 32 -8.390 -0.557 -10.657 218 HA LEU 32 HA LEU 32 -8.684 -0.449 -7.735 219 HB2 LEU 32 1HB LEU 32 -9.871 1.358 -8.817 220 HB3 LEU 32 2HB LEU 32 -10.664 0.240 -9.909 221 HG LEU 32 HG LEU 32 -11.972 1.169 -7.887 222 HD11 LEU 32 1HD1 LEU 32 -11.914 -1.781 -8.564 223 HD12 LEU 32 2HD1 LEU 32 -13.202 -0.989 -7.623 224 HD13 LEU 32 3HD1 LEU 32 -12.911 -0.510 -9.312 225 HD21 LEU 32 1HD2 LEU 32 -11.566 0.465 -5.779 226 HD22 LEU 32 2HD2 LEU 32 -10.978 -1.132 -6.302 227 HD23 LEU 32 3HD2 LEU 32 -9.908 0.287 -6.403 228 H LEU 33 H LEU 33 -9.474 -2.248 -6.704 229 HA LEU 33 HA LEU 33 -10.273 -4.455 -8.473 230 HB2 LEU 33 1HB LEU 33 -8.759 -4.619 -5.863 231 HB3 LEU 33 2HB LEU 33 -9.279 -5.976 -6.842 232 HG LEU 33 HG LEU 33 -7.098 -5.840 -7.489 233 HD11 LEU 33 1HD1 LEU 33 -7.018 -5.205 -9.698 234 HD12 LEU 33 2HD1 LEU 33 -8.776 -5.290 -9.426 235 HD13 LEU 33 3HD1 LEU 33 -7.950 -3.713 -9.422 236 HD21 LEU 33 1HD2 LEU 33 -6.655 -2.980 -7.852 237 HD22 LEU 33 2HD2 LEU 33 -7.127 -3.396 -6.187 238 HD23 LEU 33 3HD2 LEU 33 -5.716 -4.183 -6.935 239 H ASN 34 H ASN 34 -12.034 -5.759 -7.797 240 HA ASN 34 HA ASN 34 -13.477 -4.622 -5.532 241 HB2 ASN 34 1HB ASN 34 -14.465 -4.107 -7.857 242 HB3 ASN 34 2HB ASN 34 -14.745 -5.827 -8.044 243 HD21 ASN 34 1HD2 ASN 34 -15.624 -2.911 -6.371 244 HD22 ASN 34 2HD2 ASN 34 -17.084 -3.472 -5.626 245 H LYS 35 H LYS 35 -12.990 -6.275 -4.010 246 HA LYS 35 HA LYS 35 -13.275 -9.038 -4.895 247 HB2 LYS 35 1HB LYS 35 -11.982 -9.647 -3.044 248 HB3 LYS 35 2HB LYS 35 -11.242 -8.166 -3.617 249 HG2 LYS 35 1HG LYS 35 -13.418 -7.742 -1.632 250 HG3 LYS 35 2HG LYS 35 -12.044 -8.631 -1.004 251 HD2 LYS 35 1HD LYS 35 -11.755 -6.004 -2.530 252 HD3 LYS 35 2HD LYS 35 -11.916 -6.076 -0.787 253 HE2 LYS 35 1HE LYS 35 -9.770 -6.845 -0.483 254 HE3 LYS 35 2HE LYS 35 -9.849 -7.918 -1.867 255 HZ1 LYS 35 1HZ LYS 35 -8.516 -5.603 -1.793 256 HZ2 LYS 35 2HZ LYS 35 -8.962 -6.372 -3.163 257 HZ3 LYS 35 3HZ LYS 35 -9.880 -5.158 -2.573 258 H ARG 36 H ARG 36 -15.575 -7.121 -4.605 259 HA ARG 36 HA ARG 36 -16.859 -8.010 -2.221 260 HB2 ARG 36 1HB ARG 36 -17.952 -6.401 -4.586 261 HB3 ARG 36 2HB ARG 36 -18.769 -6.613 -3.050 262 HG2 ARG 36 1HG ARG 36 -16.870 -5.487 -1.877 263 HG3 ARG 36 2HG ARG 36 -16.038 -5.288 -3.406 264 HD2 ARG 36 1HD ARG 36 -17.091 -3.249 -3.453 265 HD3 ARG 36 2HD ARG 36 -18.465 -4.164 -4.038 266 HE ARG 36 HE ARG 36 -18.463 -4.251 -1.173 267 HH11 ARG 36 2HH2 ARG 36 -19.020 -1.992 -3.813 268 HH12 ARG 36 1HH2 ARG 36 -20.109 -0.999 -2.903 269 HH21 ARG 36 2HH1 ARG 36 -19.901 -2.942 0.028 270 HH22 ARG 36 1HH1 ARG 36 -20.614 -1.543 -0.704 271 H LEU 37 H LEU 37 -19.059 -9.095 -2.296 272 HA LEU 37 HA LEU 37 -18.976 -11.242 -4.216 273 HB2 LEU 37 1HB LEU 37 -20.772 -10.670 -1.856 274 HB3 LEU 37 2HB LEU 37 -20.886 -12.099 -2.864 275 HG LEU 37 HG LEU 37 -18.294 -11.416 -1.492 276 HD11 LEU 37 1HD1 LEU 37 -20.020 -13.324 -0.066 277 HD12 LEU 37 2HD1 LEU 37 -18.956 -12.040 0.555 278 HD13 LEU 37 3HD1 LEU 37 -20.590 -11.638 -0.027 279 HD21 LEU 37 1HD2 LEU 37 -17.707 -13.223 -2.663 280 HD22 LEU 37 2HD2 LEU 37 -18.650 -14.149 -1.471 281 HD23 LEU 37 3HD2 LEU 37 -19.396 -13.662 -3.012 282 H LYS 38 H LYS 38 -21.608 -11.868 -4.699 283 HA LYS 38 HA LYS 38 -22.226 -10.029 -6.748 284 HB2 LYS 38 1HB LYS 38 -22.636 -12.501 -6.795 285 HB3 LYS 38 2HB LYS 38 -23.928 -12.276 -5.634 286 HG2 LYS 38 1HG LYS 38 -25.186 -12.112 -7.569 287 HG3 LYS 38 2HG LYS 38 -24.735 -10.425 -7.415 288 HD2 LYS 38 1HD LYS 38 -22.553 -11.558 -8.779 289 HD3 LYS 38 2HD LYS 38 -23.933 -12.397 -9.458 290 HE2 LYS 38 1HE LYS 38 -25.021 -10.031 -9.697 291 HE3 LYS 38 2HE LYS 38 -23.413 -9.399 -9.404 292 HZ1 LYS 38 1HZ LYS 38 -22.612 -10.483 -11.301 293 HZ2 LYS 38 2HZ LYS 38 -23.952 -11.400 -11.478 294 HZ3 LYS 38 3HZ LYS 38 -24.017 -9.794 -11.767 295 H ASP 39 H ASP 39 -23.818 -10.847 -3.591 296 HA ASP 39 HA ASP 39 -25.903 -9.144 -3.774 297 HB2 ASP 39 1HB ASP 39 -25.341 -10.799 -1.909 298 HB3 ASP 39 2HB ASP 39 -24.233 -9.607 -1.260 299 H GLY 40 H GLY 40 -22.487 -8.529 -2.775 300 HA2 GLY 40 1HA GLY 40 -21.608 -6.347 -3.468 301 HA3 GLY 40 2HA GLY 40 -23.061 -5.625 -2.806 302 H SER 41 H SER 41 -21.283 -8.384 -1.338 303 HA SER 41 HA SER 41 -20.233 -6.566 0.657 304 HB2 SER 41 1HB SER 41 -22.114 -8.890 1.169 305 HB3 SER 41 2HB SER 41 -20.968 -8.394 2.399 306 HG SER 41 HG SER 41 -22.155 -6.142 1.495 307 H VAL 42 H VAL 42 -18.086 -7.034 0.981 308 HA VAL 42 HA VAL 42 -16.777 -9.038 -0.363 309 HB VAL 42 HB VAL 42 -15.992 -7.669 2.218 310 HG11 VAL 42 1HG1 VAL 42 -14.142 -8.749 0.081 311 HG12 VAL 42 2HG1 VAL 42 -13.741 -8.212 1.729 312 HG13 VAL 42 3HG1 VAL 42 -14.656 -9.719 1.482 313 HG21 VAL 42 1HG2 VAL 42 -15.519 -5.787 1.077 314 HG22 VAL 42 2HG2 VAL 42 -14.868 -6.680 -0.318 315 HG23 VAL 42 3HG2 VAL 42 -16.625 -6.440 -0.156 316 HA PRO 43 HA PRO 43 -17.649 -12.581 1.969 317 HB2 PRO 43 1HB PRO 43 -15.768 -14.277 0.943 318 HB3 PRO 43 2HB PRO 43 -17.293 -13.944 0.147 319 HG2 PRO 43 1HG PRO 43 -14.592 -12.958 -0.538 320 HG3 PRO 43 2HG PRO 43 -16.033 -12.993 -1.535 321 HD2 PRO 43 1HD PRO 43 -14.911 -10.704 -0.220 322 HD3 PRO 43 2HD PRO 43 -16.413 -10.764 -1.120 323 H ARG 44 H ARG 44 -16.202 -14.531 3.068 324 HA ARG 44 HA ARG 44 -15.463 -13.627 5.398 325 HB2 ARG 44 1HB ARG 44 -14.608 -15.920 3.724 326 HB3 ARG 44 2HB ARG 44 -13.429 -15.506 4.952 327 HG2 ARG 44 1HG ARG 44 -16.278 -15.563 5.870 328 HG3 ARG 44 2HG ARG 44 -15.604 -17.113 5.408 329 HD2 ARG 44 1HD ARG 44 -14.172 -17.180 7.209 330 HD3 ARG 44 2HD ARG 44 -13.782 -15.476 7.096 331 HE ARG 44 HE ARG 44 -15.408 -15.057 8.711 332 HH11 ARG 44 2HH2 ARG 44 -16.178 -18.098 7.117 333 HH12 ARG 44 1HH2 ARG 44 -17.531 -18.440 8.142 334 HH21 ARG 44 2HH1 ARG 44 -17.193 -15.508 10.065 335 HH22 ARG 44 1HH1 ARG 44 -18.113 -16.957 9.830 336 H ASP 45 H ASP 45 -13.345 -13.644 2.466 337 HA ASP 45 HA ASP 45 -11.840 -11.507 3.651 338 HB2 ASP 45 1HB ASP 45 -10.179 -13.679 2.413 339 HB3 ASP 45 2HB ASP 45 -9.755 -12.549 3.684 340 H SER 46 H SER 46 -11.465 -13.971 0.980 341 HA SER 46 HA SER 46 -11.639 -13.784 -1.194 342 HB2 SER 46 1HB SER 46 -13.182 -11.562 -0.384 343 HB3 SER 46 2HB SER 46 -12.065 -10.906 -1.564 344 HG SER 46 HG SER 46 -13.368 -13.368 -2.192 345 H GLY 47 H GLY 47 -9.182 -13.587 0.205 346 HA2 GLY 47 1HA GLY 47 -7.037 -12.928 0.011 347 HA3 GLY 47 2HA GLY 47 -7.377 -12.850 -1.706 348 H ALA 48 H ALA 48 -7.901 -10.922 1.332 349 HA ALA 48 HA ALA 48 -8.441 -8.499 0.210 350 HB1 ALA 48 1HB ALA 48 -8.405 -7.929 2.384 351 HB2 ALA 48 2HB ALA 48 -7.781 -9.555 2.749 352 HB3 ALA 48 3HB ALA 48 -6.650 -8.208 2.476 353 H MET 49 H MET 49 -5.444 -10.336 0.156 354 HA MET 49 HA MET 49 -3.732 -8.164 -0.266 355 HB2 MET 49 1HB MET 49 -3.664 -11.121 -0.316 356 HB3 MET 49 2HB MET 49 -2.633 -10.442 -1.560 357 HG2 MET 49 1HG MET 49 -2.187 -8.885 0.810 358 HG3 MET 49 2HG MET 49 -2.172 -10.566 1.307 359 HE1 MET 49 1HE MET 49 1.256 -8.455 0.151 360 HE2 MET 49 2HE MET 49 0.024 -7.880 -0.998 361 HE3 MET 49 3HE MET 49 -0.340 -7.934 0.744 362 H LEU 50 H LEU 50 -6.261 -9.315 -2.168 363 HA LEU 50 HA LEU 50 -6.905 -8.879 -4.236 364 HB2 LEU 50 1HB LEU 50 -4.425 -7.173 -4.489 365 HB3 LEU 50 2HB LEU 50 -5.824 -7.145 -5.544 366 HG LEU 50 HG LEU 50 -6.872 -6.689 -2.985 367 HD11 LEU 50 1HD1 LEU 50 -4.217 -6.191 -2.675 368 HD12 LEU 50 2HD1 LEU 50 -4.809 -4.589 -3.176 369 HD13 LEU 50 3HD1 LEU 50 -5.513 -5.394 -1.753 370 HD21 LEU 50 1HD2 LEU 50 -6.942 -5.552 -5.528 371 HD22 LEU 50 2HD2 LEU 50 -7.907 -5.075 -4.110 372 HD23 LEU 50 3HD2 LEU 50 -6.376 -4.240 -4.467 373 H GLY 51 H GLY 51 -3.277 -9.155 -4.329 374 HA2 GLY 51 1HA GLY 51 -2.783 -11.601 -5.075 375 HA3 GLY 51 2HA GLY 51 -3.555 -11.053 -6.549 376 H LEU 52 H LEU 52 -1.460 -9.147 -4.299 377 HA LEU 52 HA LEU 52 0.790 -9.332 -6.052 378 HB2 LEU 52 1HB LEU 52 0.628 -7.479 -7.244 379 HB3 LEU 52 2HB LEU 52 -1.078 -7.511 -6.842 380 HG LEU 52 HG LEU 52 -0.543 -6.053 -4.844 381 HD11 LEU 52 1HD1 LEU 52 2.148 -6.548 -5.760 382 HD12 LEU 52 2HD1 LEU 52 1.806 -4.801 -5.743 383 HD13 LEU 52 3HD1 LEU 52 1.579 -5.767 -4.265 384 HD21 LEU 52 1HD2 LEU 52 -0.241 -3.978 -6.262 385 HD22 LEU 52 2HD2 LEU 52 -0.101 -5.065 -7.666 386 HD23 LEU 52 3HD2 LEU 52 -1.599 -5.041 -6.704 387 H LYS 53 H LYS 53 2.708 -8.425 -5.079 388 HA LYS 53 HA LYS 53 2.300 -7.902 -2.220 389 HB2 LYS 53 1HB LYS 53 3.843 -9.851 -3.493 390 HB3 LYS 53 2HB LYS 53 5.009 -8.635 -3.015 391 HG2 LYS 53 1HG LYS 53 2.980 -9.205 -0.926 392 HG3 LYS 53 2HG LYS 53 3.954 -10.599 -1.347 393 HD2 LYS 53 1HD LYS 53 5.643 -9.776 -0.083 394 HD3 LYS 53 2HD LYS 53 5.778 -8.415 -1.178 395 HE2 LYS 53 1HE LYS 53 5.407 -7.488 1.020 396 HE3 LYS 53 2HE LYS 53 3.914 -7.266 0.130 397 HZ1 LYS 53 1HZ LYS 53 4.331 -9.637 1.791 398 HZ2 LYS 53 2HZ LYS 53 3.778 -8.242 2.435 399 HZ3 LYS 53 3HZ LYS 53 2.921 -8.999 1.269 400 H VAL 54 H VAL 54 3.008 -5.997 -1.340 401 HA VAL 54 HA VAL 54 4.469 -4.226 -3.177 402 HB VAL 54 HB VAL 54 2.448 -3.450 -1.067 403 HG11 VAL 54 1HG1 VAL 54 4.453 -1.927 -2.173 404 HG12 VAL 54 2HG1 VAL 54 3.077 -1.572 -3.245 405 HG13 VAL 54 3HG1 VAL 54 2.934 -1.295 -1.493 406 HG21 VAL 54 1HG2 VAL 54 1.044 -2.829 -3.114 407 HG22 VAL 54 2HG2 VAL 54 2.149 -3.864 -4.050 408 HG23 VAL 54 3HG2 VAL 54 1.183 -4.561 -2.728 409 H VAL 55 H VAL 55 6.137 -2.926 -2.266 410 HA VAL 55 HA VAL 55 6.812 -3.595 0.508 411 HB VAL 55 HB VAL 55 8.447 -3.893 -1.980 412 HG11 VAL 55 1HG1 VAL 55 9.434 -2.926 0.686 413 HG12 VAL 55 2HG1 VAL 55 10.444 -4.041 -0.266 414 HG13 VAL 55 3HG1 VAL 55 9.954 -2.475 -0.956 415 HG21 VAL 55 1HG2 VAL 55 9.302 -5.810 -0.315 416 HG22 VAL 55 2HG2 VAL 55 7.696 -5.529 0.399 417 HG23 VAL 55 3HG2 VAL 55 7.840 -5.990 -1.314 418 H GLY 56 H GLY 56 6.682 -1.729 1.637 419 HA2 GLY 56 1HA GLY 56 7.312 0.781 0.228 420 HA3 GLY 56 2HA GLY 56 6.322 0.611 1.664 421 H GLY 57 H GLY 57 7.839 2.401 2.428 422 HA2 GLY 57 1HA GLY 57 9.567 3.112 3.679 423 HA3 GLY 57 2HA GLY 57 9.579 1.499 4.363 424 H LYS 58 H LYS 58 10.063 1.737 0.891 425 HA LYS 58 HA LYS 58 12.698 0.658 1.186 426 HB2 LYS 58 1HB LYS 58 11.221 -0.207 -0.526 427 HB3 LYS 58 2HB LYS 58 11.025 1.383 -1.235 428 HG2 LYS 58 1HG LYS 58 12.934 1.157 -2.442 429 HG3 LYS 58 2HG LYS 58 13.863 0.785 -1.004 430 HD2 LYS 58 1HD LYS 58 14.113 -1.261 -2.025 431 HD3 LYS 58 2HD LYS 58 12.560 -1.588 -1.281 432 HE2 LYS 58 1HE LYS 58 11.532 -1.736 -3.304 433 HE3 LYS 58 2HE LYS 58 12.168 -0.184 -3.811 434 HZ1 LYS 58 1HZ LYS 58 13.706 -2.687 -3.868 435 HZ2 LYS 58 2HZ LYS 58 12.947 -2.039 -5.160 436 HZ3 LYS 58 3HZ LYS 58 14.187 -1.242 -4.458 437 H MET 59 H MET 59 14.568 1.774 1.322 438 HA MET 59 HA MET 59 14.443 4.604 1.142 439 HB2 MET 59 1HB MET 59 16.093 2.613 2.365 440 HB3 MET 59 2HB MET 59 17.151 3.455 1.250 441 HG2 MET 59 1HG MET 59 15.418 4.787 3.390 442 HG3 MET 59 2HG MET 59 17.149 4.536 3.497 443 HE1 MET 59 1HE MET 59 15.573 8.164 2.852 444 HE2 MET 59 2HE MET 59 14.508 7.339 1.688 445 HE3 MET 59 3HE MET 59 14.736 6.665 3.320 446 H THR 60 H THR 60 14.614 5.747 -0.733 447 HA THR 60 HA THR 60 15.857 4.442 -3.027 448 HB THR 60 HB THR 60 14.752 6.348 -4.244 449 HG1 THR 60 1HG THR 60 15.031 7.740 -2.242 450 HG21 THR 60 1HG2 THR 60 12.375 5.857 -3.630 451 HG22 THR 60 2HG2 THR 60 13.319 4.355 -3.771 452 HG23 THR 60 3HG2 THR 60 12.935 5.017 -2.164 453 H GLU 61 H GLU 61 16.719 6.670 -4.476 454 HA GLU 61 HA GLU 61 19.170 7.130 -3.057 455 HB2 GLU 61 1HB GLU 61 20.049 7.876 -5.179 456 HB3 GLU 61 2HB GLU 61 19.089 6.444 -5.488 457 HG2 GLU 61 1HG GLU 61 17.116 8.131 -5.924 458 HG3 GLU 61 2HG GLU 61 18.377 9.341 -6.056 459 H SER 62 H SER 62 16.155 8.754 -3.724 460 HA SER 62 HA SER 62 17.244 11.371 -3.484 461 HB2 SER 62 1HB SER 62 14.893 12.106 -3.576 462 HB3 SER 62 2HB SER 62 15.222 10.937 -4.839 463 HG SER 62 HG SER 62 14.249 9.281 -3.498 464 H GLY 63 H GLY 63 16.711 8.847 -1.315 465 HA2 GLY 63 1HA GLY 63 16.972 8.850 0.945 466 HA3 GLY 63 2HA GLY 63 16.943 10.602 0.960 467 H ARG 64 H ARG 64 14.375 8.911 -0.776 468 HA ARG 64 HA ARG 64 12.615 9.549 1.455 469 HB2 ARG 64 1HB ARG 64 12.381 10.008 -1.501 470 HB3 ARG 64 2HB ARG 64 10.911 9.491 -0.698 471 HG2 ARG 64 1HG ARG 64 11.276 11.354 1.008 472 HG3 ARG 64 2HG ARG 64 12.618 11.916 0.030 473 HD2 ARG 64 1HD ARG 64 10.882 11.935 -1.950 474 HD3 ARG 64 2HD ARG 64 9.666 11.856 -0.691 475 HE ARG 64 HE ARG 64 11.458 13.918 0.053 476 HH11 ARG 64 2HH2 ARG 64 9.195 13.240 -2.555 477 HH12 ARG 64 1HH2 ARG 64 8.855 14.909 -2.866 478 HH21 ARG 64 2HH1 ARG 64 11.010 16.121 -0.357 479 HH22 ARG 64 1HH1 ARG 64 9.894 16.559 -1.607 480 H LEU 65 H LEU 65 10.447 8.185 1.286 481 HA LEU 65 HA LEU 65 11.249 5.435 0.655 482 HB2 LEU 65 1HB LEU 65 9.162 6.439 2.596 483 HB3 LEU 65 2HB LEU 65 9.581 4.762 2.307 484 HG LEU 65 HG LEU 65 11.570 6.798 3.333 485 HD11 LEU 65 1HD1 LEU 65 10.764 4.974 5.379 486 HD12 LEU 65 2HD1 LEU 65 10.647 6.750 5.346 487 HD13 LEU 65 3HD1 LEU 65 9.313 5.759 4.710 488 HD21 LEU 65 1HD2 LEU 65 11.778 4.071 2.461 489 HD22 LEU 65 2HD2 LEU 65 13.051 5.176 3.032 490 HD23 LEU 65 3HD2 LEU 65 12.156 4.172 4.198 491 H CYS 66 H CYS 66 10.060 4.214 -0.776 492 HA CYS 66 HA CYS 66 7.519 5.306 -1.658 493 HB2 CYS 66 1HB CYS 66 9.974 5.332 -3.272 494 HB3 CYS 66 2HB CYS 66 8.645 4.506 -4.062 495 HG CYS 66 HG CYS 66 7.859 7.176 -2.402 496 H ALA 67 H ALA 67 6.127 3.626 -2.527 497 HA ALA 67 HA ALA 67 7.047 0.952 -1.792 498 HB1 ALA 67 1HB ALA 67 4.982 1.811 -0.746 499 HB2 ALA 67 2HB ALA 67 4.267 2.060 -2.357 500 HB3 ALA 67 3HB ALA 67 4.638 0.413 -1.793 501 H PHE 68 H PHE 68 7.324 -0.666 -3.293 502 HA PHE 68 HA PHE 68 6.422 -0.079 -6.016 503 HB2 PHE 68 1HB PHE 68 9.074 -1.416 -5.254 504 HB3 PHE 68 2HB PHE 68 8.630 -0.780 -6.825 505 HD1 PHE 68 1HD PHE 68 8.457 1.715 -7.124 506 HD2 PHE 68 2HD PHE 68 10.112 -0.040 -3.633 507 HE1 PHE 68 1HE PHE 68 9.576 3.890 -6.561 508 HE2 PHE 68 2HE PHE 68 11.230 2.135 -3.069 509 HZ PHE 68 HZ PHE 68 10.949 4.074 -4.540 510 H ILE 69 H ILE 69 5.837 -1.916 -7.268 511 HA ILE 69 HA ILE 69 4.929 -4.112 -5.740 512 HB ILE 69 HB ILE 69 5.088 -3.627 -8.715 513 HG12 ILE 69 1HG1 ILE 69 2.751 -3.400 -6.796 514 HG13 ILE 69 2HG1 ILE 69 3.683 -2.045 -7.403 515 HG21 ILE 69 1HG2 ILE 69 3.959 -5.566 -9.145 516 HG22 ILE 69 2HG2 ILE 69 4.944 -6.089 -7.758 517 HG23 ILE 69 3HG2 ILE 69 3.236 -5.644 -7.521 518 HD11 ILE 69 1HD1 ILE 69 1.457 -3.294 -8.649 519 HD12 ILE 69 2HD1 ILE 69 2.499 -2.022 -9.332 520 HD13 ILE 69 3HD1 ILE 69 2.875 -3.736 -9.629 521 H THR 70 H THR 70 5.744 -6.185 -5.487 522 HA THR 70 HA THR 70 8.476 -6.555 -6.525 523 HB THR 70 HB THR 70 8.812 -7.929 -4.484 524 HG1 THR 70 1HG THR 70 6.950 -8.199 -3.111 525 HG21 THR 70 1HG2 THR 70 8.627 -5.202 -4.412 526 HG22 THR 70 2HG2 THR 70 7.294 -5.619 -3.309 527 HG23 THR 70 3HG2 THR 70 8.947 -6.178 -2.958 528 H LYS 71 H LYS 71 5.320 -8.173 -5.871 529 HA LYS 71 HA LYS 71 5.838 -9.852 -8.170 530 HB2 LYS 71 1HB LYS 71 6.848 -11.084 -6.266 531 HB3 LYS 71 2HB LYS 71 5.302 -11.064 -5.442 532 HG2 LYS 71 1HG LYS 71 4.566 -12.841 -6.646 533 HG3 LYS 71 2HG LYS 71 4.906 -12.020 -8.157 534 HD2 LYS 71 1HD LYS 71 7.461 -12.702 -7.275 535 HD3 LYS 71 2HD LYS 71 6.506 -14.063 -6.721 536 HE2 LYS 71 1HE LYS 71 6.115 -14.825 -8.852 537 HE3 LYS 71 2HE LYS 71 5.838 -13.214 -9.485 538 HZ1 LYS 71 1HZ LYS 71 8.028 -14.662 -9.929 539 HZ2 LYS 71 2HZ LYS 71 7.955 -13.038 -10.083 540 HZ3 LYS 71 3HZ LYS 71 8.544 -13.702 -8.712 541 H VAL 72 H VAL 72 3.907 -10.640 -9.134 542 HA VAL 72 HA VAL 72 1.426 -9.892 -7.799 543 HB VAL 72 HB VAL 72 1.470 -7.992 -9.008 544 HG11 VAL 72 1HG1 VAL 72 3.178 -9.391 -11.093 545 HG12 VAL 72 2HG1 VAL 72 2.668 -7.687 -11.164 546 HG13 VAL 72 3HG1 VAL 72 3.732 -8.243 -9.850 547 HG21 VAL 72 1HG2 VAL 72 0.672 -9.852 -11.269 548 HG22 VAL 72 2HG2 VAL 72 -0.385 -9.423 -9.903 549 HG23 VAL 72 3HG2 VAL 72 0.172 -8.161 -11.027 550 H LYS 73 H LYS 73 0.275 -11.745 -7.710 551 HA LYS 73 HA LYS 73 0.896 -14.023 -9.131 552 HB2 LYS 73 1HB LYS 73 -0.424 -13.918 -7.037 553 HB3 LYS 73 2HB LYS 73 -1.772 -13.235 -7.923 554 HG2 LYS 73 1HG LYS 73 -2.156 -15.626 -7.728 555 HG3 LYS 73 2HG LYS 73 -1.788 -15.283 -9.406 556 HD2 LYS 73 1HD LYS 73 0.564 -15.995 -9.070 557 HD3 LYS 73 2HD LYS 73 0.264 -16.258 -7.363 558 HE2 LYS 73 1HE LYS 73 -1.550 -17.945 -8.046 559 HE3 LYS 73 2HE LYS 73 -0.981 -17.784 -9.696 560 HZ1 LYS 73 1HZ LYS 73 1.271 -18.332 -8.721 561 HZ2 LYS 73 2HZ LYS 73 0.473 -18.835 -7.389 562 HZ3 LYS 73 3HZ LYS 73 0.192 -19.554 -8.828 563 H LYS 74 H LYS 74 0.493 -14.766 -11.162 564 HA LYS 74 HA LYS 74 -0.792 -12.936 -12.974 565 HB2 LYS 74 1HB LYS 74 1.214 -13.911 -13.764 566 HB3 LYS 74 2HB LYS 74 0.729 -15.526 -13.288 567 HG2 LYS 74 1HG LYS 74 -0.350 -15.867 -15.257 568 HG3 LYS 74 2HG LYS 74 -1.272 -14.388 -15.080 569 HD2 LYS 74 1HD LYS 74 0.196 -13.144 -16.365 570 HD3 LYS 74 2HD LYS 74 1.606 -14.017 -15.799 571 HE2 LYS 74 1HE LYS 74 1.596 -15.255 -17.699 572 HE3 LYS 74 2HE LYS 74 0.029 -15.908 -17.262 573 HZ1 LYS 74 1HZ LYS 74 -0.062 -13.252 -18.318 574 HZ2 LYS 74 2HZ LYS 74 0.481 -14.368 -19.379 575 HZ3 LYS 74 3HZ LYS 74 -0.984 -14.550 -18.680 576 H GLY 75 H GLY 75 -2.987 -12.848 -12.887 577 HA2 GLY 75 1HA GLY 75 -4.914 -13.993 -13.820 578 HA3 GLY 75 2HA GLY 75 -4.409 -15.441 -12.973 579 H SER 76 H SER 76 -3.969 -12.320 -11.374 580 HA SER 76 HA SER 76 -6.253 -12.997 -9.689 581 HB2 SER 76 1HB SER 76 -3.499 -12.597 -9.013 582 HB3 SER 76 2HB SER 76 -4.379 -11.229 -8.361 583 HG SER 76 HG SER 76 -5.135 -13.996 -7.948 584 H LEU 77 H LEU 77 -6.811 -10.784 -8.308 585 HA LEU 77 HA LEU 77 -8.036 -9.087 -10.071 586 HB2 LEU 77 1HB LEU 77 -7.199 -8.832 -7.200 587 HB3 LEU 77 2HB LEU 77 -7.966 -7.490 -8.025 588 HG LEU 77 HG LEU 77 -9.620 -8.715 -6.782 589 HD11 LEU 77 1HD1 LEU 77 -10.628 -9.758 -9.252 590 HD12 LEU 77 2HD1 LEU 77 -11.091 -8.277 -8.379 591 HD13 LEU 77 3HD1 LEU 77 -9.769 -8.231 -9.570 592 HD21 LEU 77 1HD2 LEU 77 -10.135 -11.062 -7.173 593 HD22 LEU 77 2HD2 LEU 77 -8.814 -11.174 -8.362 594 HD23 LEU 77 3HD2 LEU 77 -8.446 -10.867 -6.647 595 H ALA 78 H ALA 78 -4.993 -8.392 -8.200 596 HA ALA 78 HA ALA 78 -4.455 -6.109 -9.825 597 HB1 ALA 78 1HB ALA 78 -3.520 -7.317 -7.365 598 HB2 ALA 78 2HB ALA 78 -2.135 -6.910 -8.406 599 HB3 ALA 78 3HB ALA 78 -3.306 -5.649 -7.951 600 H ASP 79 H ASP 79 -4.841 -7.825 -11.768 601 HA ASP 79 HA ASP 79 -2.390 -7.951 -13.044 602 HB2 ASP 79 1HB ASP 79 -2.275 -9.962 -11.379 603 HB3 ASP 79 2HB ASP 79 -3.484 -10.717 -12.398 604 H THR 80 H THR 80 -5.520 -9.781 -12.654 605 HA THR 80 HA THR 80 -5.904 -9.981 -15.490 606 HB THR 80 HB THR 80 -7.910 -11.197 -14.815 607 HG1 THR 80 1HG THR 80 -7.307 -10.228 -12.126 608 HG21 THR 80 1HG2 THR 80 -6.538 -12.865 -14.052 609 HG22 THR 80 2HG2 THR 80 -5.368 -11.686 -13.413 610 HG23 THR 80 3HG2 THR 80 -6.764 -12.180 -12.425 611 H VAL 81 H VAL 81 -7.143 -7.910 -12.828 612 HA VAL 81 HA VAL 81 -8.557 -6.362 -14.881 613 HB VAL 81 HB VAL 81 -9.769 -5.419 -12.887 614 HG11 VAL 81 1HG1 VAL 81 -10.241 -7.687 -14.388 615 HG12 VAL 81 2HG1 VAL 81 -10.416 -8.280 -12.719 616 HG13 VAL 81 3HG1 VAL 81 -11.402 -6.910 -13.285 617 HG21 VAL 81 1HG2 VAL 81 -9.706 -6.596 -10.779 618 HG22 VAL 81 2HG2 VAL 81 -8.550 -7.785 -11.426 619 HG23 VAL 81 3HG2 VAL 81 -8.052 -6.090 -11.200 620 H GLY 82 H GLY 82 -6.199 -6.281 -12.179 621 HA2 GLY 82 1HA GLY 82 -5.805 -3.441 -12.339 622 HA3 GLY 82 2HA GLY 82 -4.876 -4.605 -11.415 623 H HIS 83 H HIS 83 -4.231 -6.410 -13.642 624 HA HIS 83 HA HIS 83 -2.577 -6.706 -15.057 625 HB2 HIS 83 1HB HIS 83 -3.530 -4.055 -16.175 626 HB3 HIS 83 2HB HIS 83 -2.467 -5.173 -17.006 627 HD1 HIS 83 1HD HIS 83 -3.608 -7.734 -17.277 628 HD2 HIS 83 2HD HIS 83 -6.167 -4.450 -16.762 629 HE1 HIS 83 1HE HIS 83 -5.904 -8.480 -18.102 630 H LEU 84 H LEU 84 -1.746 -5.757 -12.567 631 HA LEU 84 HA LEU 84 0.054 -3.555 -12.979 632 HB2 LEU 84 1HB LEU 84 -0.365 -5.420 -10.639 633 HB3 LEU 84 2HB LEU 84 0.697 -4.026 -10.636 634 HG LEU 84 HG LEU 84 -2.154 -3.557 -11.379 635 HD11 LEU 84 1HD1 LEU 84 -1.903 -3.360 -8.521 636 HD12 LEU 84 2HD1 LEU 84 -3.084 -4.267 -9.496 637 HD13 LEU 84 3HD1 LEU 84 -1.535 -5.020 -9.047 638 HD21 LEU 84 1HD2 LEU 84 -0.024 -2.049 -9.854 639 HD22 LEU 84 2HD2 LEU 84 -0.752 -1.653 -11.429 640 HD23 LEU 84 3HD2 LEU 84 -1.721 -1.517 -9.942 641 H ARG 85 H ARG 85 2.389 -4.218 -11.735 642 HA ARG 85 HA ARG 85 3.328 -6.698 -12.755 643 HB2 ARG 85 1HB ARG 85 4.076 -4.058 -14.051 644 HB3 ARG 85 2HB ARG 85 5.267 -5.342 -13.990 645 HG2 ARG 85 1HG ARG 85 2.502 -5.472 -15.274 646 HG3 ARG 85 2HG ARG 85 4.047 -5.510 -16.101 647 HD2 ARG 85 1HD ARG 85 4.487 -7.643 -14.555 648 HD3 ARG 85 2HD ARG 85 2.740 -7.671 -14.431 649 HE ARG 85 HE ARG 85 4.313 -8.370 -16.770 650 HH11 ARG 85 2HH2 ARG 85 1.216 -7.042 -15.758 651 HH12 ARG 85 1HH2 ARG 85 0.393 -7.522 -17.204 652 HH21 ARG 85 2HH1 ARG 85 3.228 -9.004 -18.678 653 HH22 ARG 85 1HH1 ARG 85 1.545 -8.646 -18.876 654 HA PRO 86 HA PRO 86 6.047 -5.944 -9.426 655 HB2 PRO 86 1HB PRO 86 7.965 -7.840 -9.865 656 HB3 PRO 86 2HB PRO 86 6.421 -8.195 -9.118 657 HG2 PRO 86 1HG PRO 86 7.336 -8.804 -11.862 658 HG3 PRO 86 2HG PRO 86 5.999 -9.504 -10.970 659 HD2 PRO 86 1HD PRO 86 5.830 -7.546 -13.060 660 HD3 PRO 86 2HD PRO 86 4.507 -8.160 -12.089 661 H GLY 87 H GLY 87 6.582 -3.780 -9.953 662 HA2 GLY 87 1HA GLY 87 9.260 -3.248 -10.042 663 HA3 GLY 87 2HA GLY 87 8.792 -3.338 -11.728 664 H ASP 88 H ASP 88 5.967 -2.417 -11.153 665 HA ASP 88 HA ASP 88 6.303 0.224 -11.684 666 HB2 ASP 88 1HB ASP 88 4.087 -1.546 -10.811 667 HB3 ASP 88 2HB ASP 88 3.842 0.132 -10.369 668 H GLU 89 H GLU 89 4.880 1.877 -10.003 669 HA GLU 89 HA GLU 89 5.939 1.440 -7.338 670 HB2 GLU 89 1HB GLU 89 7.586 2.875 -8.484 671 HB3 GLU 89 2HB GLU 89 6.324 3.990 -8.967 672 HG2 GLU 89 1HG GLU 89 5.794 4.224 -6.426 673 HG3 GLU 89 2HG GLU 89 7.328 3.423 -6.150 674 H VAL 90 H VAL 90 3.994 1.206 -6.269 675 HA VAL 90 HA VAL 90 1.699 2.702 -7.041 676 HB VAL 90 HB VAL 90 1.437 0.497 -6.188 677 HG11 VAL 90 1HG1 VAL 90 3.330 0.051 -4.886 678 HG12 VAL 90 2HG1 VAL 90 3.083 1.484 -3.860 679 HG13 VAL 90 3HG1 VAL 90 2.005 0.077 -3.697 680 HG21 VAL 90 1HG2 VAL 90 0.353 2.773 -4.612 681 HG22 VAL 90 2HG2 VAL 90 -0.491 1.500 -5.526 682 HG23 VAL 90 3HG2 VAL 90 0.157 1.152 -3.905 683 H LEU 91 H LEU 91 1.353 4.810 -6.595 684 HA LEU 91 HA LEU 91 2.932 6.056 -4.524 685 HB2 LEU 91 1HB LEU 91 0.899 7.235 -6.421 686 HB3 LEU 91 2HB LEU 91 1.998 8.128 -5.389 687 HG LEU 91 HG LEU 91 2.708 6.409 -7.777 688 HD11 LEU 91 1HD1 LEU 91 1.929 8.526 -8.492 689 HD12 LEU 91 2HD1 LEU 91 2.838 9.378 -7.221 690 HD13 LEU 91 3HD1 LEU 91 3.706 8.598 -8.565 691 HD21 LEU 91 1HD2 LEU 91 4.504 5.919 -6.425 692 HD22 LEU 91 2HD2 LEU 91 5.073 7.398 -7.234 693 HD23 LEU 91 3HD2 LEU 91 4.436 7.481 -5.574 694 H GLU 92 H GLU 92 -0.600 5.780 -5.346 695 HA GLU 92 HA GLU 92 -1.077 6.123 -2.489 696 HB2 GLU 92 1HB GLU 92 -2.857 6.805 -4.870 697 HB3 GLU 92 2HB GLU 92 -3.383 6.900 -3.201 698 HG2 GLU 92 1HG GLU 92 -1.837 8.657 -2.686 699 HG3 GLU 92 2HG GLU 92 -0.874 8.351 -4.118 700 H TRP 93 H TRP 93 -3.062 4.929 -1.643 701 HA TRP 93 HA TRP 93 -3.752 2.579 -3.214 702 HB2 TRP 93 1HB TRP 93 -1.795 1.855 -1.986 703 HB3 TRP 93 2HB TRP 93 -2.473 2.438 -0.479 704 HD1 TRP 93 HD TRP 93 -5.037 1.113 0.089 705 HE1 TRP 93 1HE TRP 93 -5.608 -1.462 0.008 706 HE3 TRP 93 3HE TRP 93 -1.208 -0.175 -2.999 707 HZ2 TRP 93 2HZ TRP 93 -4.421 -3.698 -1.309 708 HZ3 TRP 93 3HZ TRP 93 -0.986 -2.575 -3.634 709 HH2 TRP 93 HH TRP 93 -2.514 -4.310 -2.841 710 H ASN 94 H ASN 94 -5.873 3.437 -3.377 711 HA ASN 94 HA ASN 94 -7.950 3.611 -2.745 712 HB2 ASN 94 1HB ASN 94 -6.873 2.020 -0.633 713 HB3 ASN 94 2HB ASN 94 -7.793 3.278 0.168 714 HD21 ASN 94 1HD2 ASN 94 -8.468 0.584 0.227 715 HD22 ASN 94 2HD2 ASN 94 -9.973 0.330 -0.591 716 H GLY 95 H GLY 95 -5.825 5.759 -2.540 717 HA2 GLY 95 1HA GLY 95 -6.269 8.036 -2.209 718 HA3 GLY 95 2HA GLY 95 -7.354 7.647 -0.889 719 H ARG 96 H ARG 96 -5.046 5.525 -0.152 720 HA ARG 96 HA ARG 96 -3.848 7.332 1.697 721 HB2 ARG 96 1HB ARG 96 -3.853 4.333 1.278 722 HB3 ARG 96 2HB ARG 96 -2.605 5.030 2.291 723 HG2 ARG 96 1HG ARG 96 -5.405 5.969 2.817 724 HG3 ARG 96 2HG ARG 96 -5.063 4.300 3.229 725 HD2 ARG 96 1HD ARG 96 -2.895 5.327 4.391 726 HD3 ARG 96 2HD ARG 96 -3.812 6.820 4.354 727 HE ARG 96 HE ARG 96 -5.309 4.523 5.419 728 HH11 ARG 96 2HH2 ARG 96 -3.197 7.230 6.187 729 HH12 ARG 96 1HH2 ARG 96 -3.677 7.299 7.850 730 HH21 ARG 96 2HH1 ARG 96 -5.943 4.613 7.612 731 HH22 ARG 96 1HH1 ARG 96 -5.250 5.800 8.666 732 H LEU 97 H LEU 97 -2.006 8.474 1.189 733 HA LEU 97 HA LEU 97 -0.473 7.793 -1.102 734 HB2 LEU 97 1HB LEU 97 -0.872 10.089 -0.434 735 HB3 LEU 97 2HB LEU 97 -0.059 9.824 1.095 736 HG LEU 97 HG LEU 97 1.814 9.083 -0.874 737 HD11 LEU 97 1HD1 LEU 97 0.343 11.617 -1.634 738 HD12 LEU 97 2HD1 LEU 97 1.969 11.187 -2.218 739 HD13 LEU 97 3HD1 LEU 97 0.576 10.153 -2.619 740 HD21 LEU 97 1HD2 LEU 97 1.759 11.756 0.522 741 HD22 LEU 97 2HD2 LEU 97 2.063 10.237 1.398 742 HD23 LEU 97 3HD2 LEU 97 3.158 10.743 0.089 743 H LEU 98 H LEU 98 1.368 6.593 -1.288 744 HA LEU 98 HA LEU 98 2.309 5.354 1.185 745 HB2 LEU 98 1HB LEU 98 2.940 4.541 -1.648 746 HB3 LEU 98 2HB LEU 98 3.183 3.616 -0.179 747 HG LEU 98 HG LEU 98 0.574 4.270 -1.554 748 HD11 LEU 98 1HD1 LEU 98 0.668 1.567 -0.962 749 HD12 LEU 98 2HD1 LEU 98 1.013 2.320 -2.538 750 HD13 LEU 98 3HD1 LEU 98 2.345 1.957 -1.415 751 HD21 LEU 98 1HD2 LEU 98 -0.099 2.638 0.561 752 HD22 LEU 98 2HD2 LEU 98 1.060 3.776 1.290 753 HD23 LEU 98 3HD2 LEU 98 -0.388 4.391 0.457 754 H GLN 99 H GLN 99 3.100 7.738 -1.232 755 HA GLN 99 HA GLN 99 5.824 7.576 -1.272 756 HB2 GLN 99 1HB GLN 99 3.776 9.658 -1.789 757 HB3 GLN 99 2HB GLN 99 5.349 10.307 -1.369 758 HG2 GLN 99 1HG GLN 99 6.356 8.727 -3.125 759 HG3 GLN 99 2HG GLN 99 4.719 8.351 -3.625 760 HE21 GLN 99 1HE2 GLN 99 5.374 9.191 -5.680 761 HE22 GLN 99 2HE2 GLN 99 5.331 10.892 -6.002 762 H GLY 100 H GLY 100 7.283 7.587 0.377 763 HA2 GLY 100 1HA GLY 100 8.405 8.567 2.134 764 HA3 GLY 100 2HA GLY 100 7.027 9.596 2.471 765 H ALA 101 H ALA 101 5.185 7.107 2.234 766 HA ALA 101 HA ALA 101 4.983 6.575 4.947 767 HB1 ALA 101 1HB ALA 101 3.171 6.300 3.287 768 HB2 ALA 101 2HB ALA 101 4.043 4.928 2.563 769 HB3 ALA 101 3HB ALA 101 3.420 4.809 4.226 770 H THR 102 H THR 102 5.762 4.953 6.301 771 HA THR 102 HA THR 102 8.176 3.676 5.418 772 HB THR 102 HB THR 102 8.436 3.202 7.750 773 HG1 THR 102 1HG THR 102 6.588 2.253 8.528 774 HG21 THR 102 1HG2 THR 102 8.187 5.286 8.727 775 HG22 THR 102 2HG2 THR 102 7.744 5.787 7.078 776 HG23 THR 102 3HG2 THR 102 6.473 5.400 8.261 777 H PHE 103 H PHE 103 8.519 1.273 6.036 778 HA PHE 103 HA PHE 103 7.051 -0.251 4.302 779 HB2 PHE 103 1HB PHE 103 9.271 -0.823 5.323 780 HB3 PHE 103 2HB PHE 103 8.536 -0.932 6.910 781 HD1 PHE 103 2HD PHE 103 7.025 -2.824 7.446 782 HD2 PHE 103 1HD PHE 103 9.151 -2.645 3.778 783 HE1 PHE 103 2HE PHE 103 6.615 -5.274 7.089 784 HE2 PHE 103 1HE PHE 103 8.741 -5.096 3.421 785 HZ PHE 103 HZ PHE 103 7.478 -6.381 5.081 786 H GLU 104 H GLU 104 6.500 0.400 7.795 787 HA GLU 104 HA GLU 104 4.466 -1.548 7.995 788 HB2 GLU 104 1HB GLU 104 5.355 0.761 9.761 789 HB3 GLU 104 2HB GLU 104 3.982 -0.243 10.186 790 HG2 GLU 104 1HG GLU 104 5.677 -2.249 9.726 791 HG3 GLU 104 2HG GLU 104 6.900 -1.018 9.972 792 H GLU 105 H GLU 105 4.576 2.033 7.536 793 HA GLU 105 HA GLU 105 1.898 2.519 7.772 794 HB2 GLU 105 1HB GLU 105 4.159 3.843 6.277 795 HB3 GLU 105 2HB GLU 105 2.526 4.418 6.002 796 HG2 GLU 105 1HG GLU 105 2.398 4.403 8.671 797 HG3 GLU 105 2HG GLU 105 4.146 4.461 8.555 798 H VAL 106 H VAL 106 3.813 1.681 4.804 799 HA VAL 106 HA VAL 106 1.685 1.778 3.024 800 HB VAL 106 HB VAL 106 4.279 0.239 3.073 801 HG11 VAL 106 1HG1 VAL 106 2.440 0.554 0.680 802 HG12 VAL 106 2HG1 VAL 106 3.971 -0.350 0.764 803 HG13 VAL 106 3HG1 VAL 106 2.549 -0.922 1.668 804 HG21 VAL 106 1HG2 VAL 106 4.865 1.936 1.293 805 HG22 VAL 106 2HG2 VAL 106 3.356 2.783 1.708 806 HG23 VAL 106 3HG2 VAL 106 4.636 2.596 2.930 807 H TYR 107 H TYR 107 2.865 -0.818 5.212 808 HA TYR 107 HA TYR 107 1.152 -2.809 4.158 809 HB2 TYR 107 1HB TYR 107 3.229 -3.231 5.487 810 HB3 TYR 107 2HB TYR 107 2.599 -2.294 6.827 811 HD1 TYR 107 2HD TYR 107 0.561 -3.187 8.089 812 HD2 TYR 107 1HD TYR 107 2.797 -5.554 5.313 813 HE1 TYR 107 2HE TYR 107 -0.403 -5.307 9.109 814 HE2 TYR 107 1HE TYR 107 1.825 -7.666 6.343 815 HH TYR 107 HH TYR 107 -0.829 -7.728 8.158 816 H ASN 108 H ASN 108 0.967 -0.602 7.028 817 HA ASN 108 HA ASN 108 -1.254 -1.576 8.179 818 HB2 ASN 108 1HB ASN 108 -0.127 1.215 7.858 819 HB3 ASN 108 2HB ASN 108 -1.713 1.058 8.587 820 HD21 ASN 108 1HD2 ASN 108 1.467 1.287 9.226 821 HD22 ASN 108 2HD2 ASN 108 1.577 0.502 10.766 822 H ILE 109 H ILE 109 -0.902 0.363 5.195 823 HA ILE 109 HA ILE 109 -3.604 1.118 4.949 824 HB ILE 109 HB ILE 109 -1.282 0.933 3.046 825 HG12 ILE 109 1HG1 ILE 109 -2.697 3.469 3.718 826 HG13 ILE 109 2HG1 ILE 109 -1.743 2.731 4.990 827 HG21 ILE 109 1HG2 ILE 109 -2.665 0.926 1.309 828 HG22 ILE 109 2HG2 ILE 109 -4.092 1.032 2.368 829 HG23 ILE 109 3HG2 ILE 109 -3.258 2.516 1.847 830 HD11 ILE 109 1HD1 ILE 109 -0.211 2.595 2.549 831 HD12 ILE 109 2HD1 ILE 109 -0.814 4.258 2.747 832 HD13 ILE 109 3HD1 ILE 109 0.155 3.503 4.036 833 H ILE 110 H ILE 110 -1.797 -1.241 2.861 834 HA ILE 110 HA ILE 110 -3.976 -2.449 1.780 835 HB ILE 110 HB ILE 110 -1.306 -3.655 2.511 836 HG12 ILE 110 1HG1 ILE 110 -1.847 -2.927 -0.282 837 HG13 ILE 110 2HG1 ILE 110 -1.856 -1.551 0.803 838 HG21 ILE 110 1HG2 ILE 110 -1.851 -5.570 1.498 839 HG22 ILE 110 2HG2 ILE 110 -3.540 -5.053 1.719 840 HG23 ILE 110 3HG2 ILE 110 -2.707 -4.739 0.177 841 HD11 ILE 110 1HD1 ILE 110 0.367 -2.184 1.684 842 HD12 ILE 110 2HD1 ILE 110 0.373 -3.633 0.651 843 HD13 ILE 110 3HD1 ILE 110 0.425 -2.014 -0.087 844 H LEU 111 H LEU 111 -2.516 -2.953 5.006 845 HA LEU 111 HA LEU 111 -4.093 -5.249 5.578 846 HB2 LEU 111 1HB LEU 111 -1.949 -4.894 6.623 847 HB3 LEU 111 2HB LEU 111 -2.484 -3.375 7.315 848 HG LEU 111 HG LEU 111 -2.371 -5.461 8.822 849 HD11 LEU 111 1HD1 LEU 111 -3.462 -3.217 9.311 850 HD12 LEU 111 2HD1 LEU 111 -5.007 -3.988 8.878 851 HD13 LEU 111 3HD1 LEU 111 -4.051 -4.615 10.243 852 HD21 LEU 111 1HD2 LEU 111 -3.486 -7.054 7.401 853 HD22 LEU 111 2HD2 LEU 111 -4.458 -6.807 8.871 854 HD23 LEU 111 3HD2 LEU 111 -4.949 -6.042 7.340 855 H GLU 112 H GLU 112 -4.405 -1.710 6.042 856 HA GLU 112 HA GLU 112 -6.674 -1.967 7.699 857 HB2 GLU 112 1HB GLU 112 -5.256 0.290 6.293 858 HB3 GLU 112 2HB GLU 112 -6.877 0.579 6.892 859 HG2 GLU 112 1HG GLU 112 -5.251 -0.828 8.892 860 HG3 GLU 112 2HG GLU 112 -4.478 0.662 8.389 861 H SER 113 H SER 113 -6.068 -1.929 4.224 862 HA SER 113 HA SER 113 -8.850 -1.408 3.679 863 HB2 SER 113 1HB SER 113 -6.411 -1.814 1.904 864 HB3 SER 113 2HB SER 113 -8.030 -1.673 1.248 865 HG SER 113 HG SER 113 -7.004 0.315 3.062 866 H LYS 114 H LYS 114 -7.867 -3.883 5.133 867 HA LYS 114 HA LYS 114 -8.023 -6.042 3.302 868 HB2 LYS 114 1HB LYS 114 -7.727 -5.654 6.216 869 HB3 LYS 114 2HB LYS 114 -8.557 -7.127 5.757 870 HG2 LYS 114 1HG LYS 114 -6.344 -6.853 3.958 871 HG3 LYS 114 2HG LYS 114 -5.726 -6.499 5.559 872 HD2 LYS 114 1HD LYS 114 -7.437 -8.753 5.889 873 HD3 LYS 114 2HD LYS 114 -6.527 -9.070 4.425 874 HE2 LYS 114 1HE LYS 114 -4.518 -8.122 6.047 875 HE3 LYS 114 2HE LYS 114 -5.566 -8.850 7.248 876 HZ1 LYS 114 1HZ LYS 114 -3.805 -10.193 5.788 877 HZ2 LYS 114 2HZ LYS 114 -5.113 -10.876 6.487 878 HZ3 LYS 114 3HZ LYS 114 -5.159 -10.451 4.911 879 HA PRO 115 HA PRO 115 -12.487 -6.160 4.855 880 HB2 PRO 115 1HB PRO 115 -13.494 -4.063 6.290 881 HB3 PRO 115 2HB PRO 115 -12.863 -5.519 7.034 882 HG2 PRO 115 1HG PRO 115 -11.624 -2.841 6.859 883 HG3 PRO 115 2HG PRO 115 -11.228 -4.166 7.936 884 HD2 PRO 115 1HD PRO 115 -9.768 -3.356 5.603 885 HD3 PRO 115 2HD PRO 115 -9.440 -4.750 6.614 886 H GLU 116 H GLU 116 -11.178 -3.134 3.833 887 HA GLU 116 HA GLU 116 -13.258 -1.873 2.786 888 HB2 GLU 116 1HB GLU 116 -10.405 -2.165 2.042 889 HB3 GLU 116 2HB GLU 116 -11.420 -1.634 0.716 890 HG2 GLU 116 1HG GLU 116 -11.996 -0.265 3.293 891 HG3 GLU 116 2HG GLU 116 -10.377 0.021 2.685 892 HA PRO 117 HA PRO 117 -15.026 -4.438 -0.240 893 HB2 PRO 117 1HB PRO 117 -16.482 -2.614 -1.662 894 HB3 PRO 117 2HB PRO 117 -17.023 -3.297 -0.142 895 HG2 PRO 117 1HG PRO 117 -15.943 -0.599 -0.682 896 HG3 PRO 117 2HG PRO 117 -16.868 -1.155 0.699 897 HD2 PRO 117 1HD PRO 117 -14.041 -0.680 0.607 898 HD3 PRO 117 2HD PRO 117 -14.949 -1.345 1.950 899 H GLN 118 H GLN 118 -13.269 -1.626 -1.288 900 HA GLN 118 HA GLN 118 -12.332 -3.257 -3.492 901 HB2 GLN 118 1HB GLN 118 -12.625 -1.482 -5.121 902 HB3 GLN 118 2HB GLN 118 -14.171 -1.778 -4.352 903 HG2 GLN 118 1HG GLN 118 -13.480 0.134 -2.692 904 HG3 GLN 118 2HG GLN 118 -12.258 0.537 -3.883 905 HE21 GLN 118 1HE2 GLN 118 -12.808 2.044 -5.242 906 HE22 GLN 118 2HE2 GLN 118 -14.393 2.397 -5.846 907 H VAL 119 H VAL 119 -10.281 -2.284 -4.495 908 HA VAL 119 HA VAL 119 -8.883 -0.569 -2.577 909 HB VAL 119 HB VAL 119 -7.900 -3.184 -3.733 910 HG11 VAL 119 1HG1 VAL 119 -6.452 -0.837 -2.681 911 HG12 VAL 119 2HG1 VAL 119 -5.987 -2.388 -1.942 912 HG13 VAL 119 3HG1 VAL 119 -5.883 -2.177 -3.706 913 HG21 VAL 119 1HG2 VAL 119 -9.390 -3.442 -1.799 914 HG22 VAL 119 2HG2 VAL 119 -7.716 -3.886 -1.387 915 HG23 VAL 119 3HG2 VAL 119 -8.376 -2.320 -0.860 916 H GLU 120 H GLU 120 -8.114 1.195 -3.609 917 HA GLU 120 HA GLU 120 -7.755 0.933 -6.486 918 HB2 GLU 120 1HB GLU 120 -9.381 2.633 -5.930 919 HB3 GLU 120 2HB GLU 120 -8.337 3.335 -4.711 920 HG2 GLU 120 1HG GLU 120 -7.021 3.209 -7.347 921 HG3 GLU 120 2HG GLU 120 -8.514 4.125 -7.404 922 H LEU 121 H LEU 121 -5.743 1.256 -7.417 923 HA LEU 121 HA LEU 121 -3.624 2.131 -5.579 924 HB2 LEU 121 1HB LEU 121 -3.760 -0.139 -7.516 925 HB3 LEU 121 2HB LEU 121 -2.222 0.663 -7.265 926 HG LEU 121 HG LEU 121 -2.135 0.046 -4.980 927 HD11 LEU 121 1HD1 LEU 121 -5.072 -0.533 -5.277 928 HD12 LEU 121 2HD1 LEU 121 -4.115 -1.292 -3.982 929 HD13 LEU 121 3HD1 LEU 121 -4.230 0.482 -4.081 930 HD21 LEU 121 1HD2 LEU 121 -1.447 -1.962 -5.622 931 HD22 LEU 121 2HD2 LEU 121 -3.118 -2.555 -5.462 932 HD23 LEU 121 3HD2 LEU 121 -2.540 -1.934 -7.027 933 H VAL 122 H VAL 122 -1.702 3.109 -6.766 934 HA VAL 122 HA VAL 122 -2.420 4.283 -9.323 935 HB VAL 122 HB VAL 122 -1.555 6.034 -7.026 936 HG11 VAL 122 1HG1 VAL 122 -1.074 7.074 -9.088 937 HG12 VAL 122 2HG1 VAL 122 -2.598 6.522 -9.823 938 HG13 VAL 122 3HG1 VAL 122 -2.621 7.784 -8.568 939 HG21 VAL 122 1HG2 VAL 122 -4.401 5.658 -8.014 940 HG22 VAL 122 2HG2 VAL 122 -3.752 4.975 -6.504 941 HG23 VAL 122 3HG2 VAL 122 -3.847 6.740 -6.714 942 H VAL 123 H VAL 123 -0.724 3.711 -10.577 943 HA VAL 123 HA VAL 123 1.924 3.747 -9.306 944 HB VAL 123 HB VAL 123 2.360 2.303 -11.484 945 HG11 VAL 123 1HG1 VAL 123 2.827 1.499 -9.268 946 HG12 VAL 123 2HG1 VAL 123 1.093 1.314 -8.911 947 HG13 VAL 123 3HG1 VAL 123 1.872 0.257 -10.113 948 HG21 VAL 123 1HG2 VAL 123 -0.584 1.813 -10.921 949 HG22 VAL 123 2HG2 VAL 123 0.102 2.532 -12.397 950 HG23 VAL 123 3HG2 VAL 123 0.447 0.833 -11.991 951 H SER 124 H SER 124 3.636 4.845 -10.336 952 HA SER 124 HA SER 124 2.707 6.616 -12.457 953 HB2 SER 124 1HB SER 124 3.322 7.826 -10.416 954 HB3 SER 124 2HB SER 124 4.871 7.010 -10.346 955 HG SER 124 HG SER 124 4.943 8.049 -12.731 956 H ARG 125 H ARG 125 3.422 5.892 -14.432 957 HA ARG 125 HA ARG 125 5.876 4.393 -14.485 958 HB2 ARG 125 1HB ARG 125 3.426 4.397 -15.998 959 HB3 ARG 125 2HB ARG 125 4.715 4.791 -17.118 960 HG2 ARG 125 1HG ARG 125 5.876 2.756 -16.706 961 HG3 ARG 125 2HG ARG 125 5.065 2.488 -15.176 962 HD2 ARG 125 1HD ARG 125 2.878 2.445 -16.769 963 HD3 ARG 125 2HD ARG 125 4.063 1.978 -17.972 964 HE ARG 125 HE ARG 125 4.272 0.484 -15.449 965 HH11 ARG 125 2HH2 ARG 125 2.808 0.604 -18.646 966 HH12 ARG 125 1HH2 ARG 125 2.484 -1.097 -18.701 967 HH21 ARG 125 2HH1 ARG 125 3.845 -1.760 -15.521 968 HH22 ARG 125 1HH1 ARG 125 3.077 -2.450 -16.912 969 H SER 126 H SER 126 7.466 4.882 -16.354 970 HA SER 126 HA SER 126 7.734 7.772 -16.512 971 HB2 SER 126 1HB SER 126 10.081 7.457 -16.701 972 HB3 SER 126 2HB SER 126 9.578 6.285 -15.500 973 HG SER 126 HG SER 126 11.045 5.417 -17.154 974 H GLY 127 H GLY 127 6.729 8.496 -18.376 975 HA2 GLY 127 1HA GLY 127 6.284 8.757 -20.563 976 HA3 GLY 127 2HA GLY 127 7.809 7.961 -20.895 977 HA PRO 128 HA PRO 128 4.142 5.205 -21.835 978 HB2 PRO 128 1HB PRO 128 3.439 5.893 -24.385 979 HB3 PRO 128 2HB PRO 128 2.580 6.462 -22.967 980 HG2 PRO 128 1HG PRO 128 4.466 7.932 -24.706 981 HG3 PRO 128 2HG PRO 128 3.294 8.570 -23.571 982 HD2 PRO 128 1HD PRO 128 6.129 8.376 -23.182 983 HD3 PRO 128 2HD PRO 128 4.944 8.906 -22.005 984 H SER 129 H SER 129 3.996 3.363 -23.380 985 HA SER 129 HA SER 129 5.024 1.728 -24.371 986 HB2 SER 129 1HB SER 129 6.092 4.137 -25.790 987 HB3 SER 129 2HB SER 129 6.944 2.634 -26.084 988 HG SER 129 HG SER 129 4.171 2.325 -26.188 989 H SER 130 H SER 130 5.999 0.904 -22.406 990 HA SER 130 HA SER 130 8.536 1.872 -21.613 991 HB2 SER 130 1HB SER 130 8.427 0.160 -19.894 992 HB3 SER 130 2HB SER 130 6.840 0.889 -20.043 993 HG SER 130 HG SER 130 6.287 -0.955 -21.498 994 H GLY 131 H GLY 131 10.585 0.726 -21.730 995 HA2 GLY 131 1HA GLY 131 11.569 -1.469 -22.432 996 HA3 GLY 131 2HA GLY 131 10.662 -1.264 -23.917 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -41.075 14.398 -5.865 2 HA2 GLY 1 1HA GLY 1 -38.151 14.833 -6.024 3 HA3 GLY 1 2HA GLY 1 -39.048 14.908 -4.520 4 H SER 2 H SER 2 -36.846 13.080 -5.144 5 HA SER 2 HA SER 2 -38.346 10.583 -4.996 6 HB2 SER 2 1HB SER 2 -35.817 11.277 -6.489 7 HB3 SER 2 2HB SER 2 -35.996 9.649 -5.867 8 HG SER 2 HG SER 2 -38.147 10.826 -7.358 9 H SER 3 H SER 3 -38.409 10.679 -2.670 10 HA SER 3 HA SER 3 -36.487 11.393 -0.980 11 HB2 SER 3 1HB SER 3 -38.391 9.023 -0.778 12 HB3 SER 3 2HB SER 3 -37.427 9.579 0.575 13 HG SER 3 HG SER 3 -39.763 10.449 0.159 14 H GLY 4 H GLY 4 -34.313 10.926 -1.092 15 HA2 GLY 4 1HA GLY 4 -32.520 9.536 -0.673 16 HA3 GLY 4 2HA GLY 4 -33.513 8.125 -0.978 17 H SER 5 H SER 5 -31.899 10.928 -2.582 18 HA SER 5 HA SER 5 -30.956 9.265 -4.628 19 HB2 SER 5 1HB SER 5 -32.221 9.930 -6.503 20 HB3 SER 5 2HB SER 5 -33.439 9.684 -5.268 21 HG SER 5 HG SER 5 -33.745 11.695 -6.431 22 H SER 6 H SER 6 -29.004 10.168 -5.199 23 HA SER 6 HA SER 6 -28.732 12.868 -5.786 24 HB2 SER 6 1HB SER 6 -27.143 13.453 -3.875 25 HB3 SER 6 2HB SER 6 -28.842 13.383 -3.453 26 HG SER 6 HG SER 6 -27.007 12.166 -2.134 27 H GLY 7 H GLY 7 -27.497 12.297 -7.574 28 HA2 GLY 7 1HA GLY 7 -25.621 11.747 -8.699 29 HA3 GLY 7 2HA GLY 7 -24.787 11.532 -7.173 30 H HIS 8 H HIS 8 -24.276 9.474 -6.501 31 HA HIS 8 HA HIS 8 -24.383 7.271 -6.294 32 HB2 HIS 8 1HB HIS 8 -26.952 7.690 -6.627 33 HB3 HIS 8 2HB HIS 8 -26.677 7.005 -8.216 34 HD1 HIS 8 1HD HIS 8 -28.161 4.934 -7.560 35 HD2 HIS 8 2HD HIS 8 -24.679 5.397 -5.268 36 HE1 HIS 8 1HE HIS 8 -27.837 2.738 -6.302 37 H SER 9 H SER 9 -25.430 8.020 -9.700 38 HA SER 9 HA SER 9 -23.115 6.465 -10.542 39 HB2 SER 9 1HB SER 9 -25.689 7.131 -12.040 40 HB3 SER 9 2HB SER 9 -24.348 6.235 -12.725 41 HG SER 9 HG SER 9 -24.647 4.626 -11.018 42 H HIS 10 H HIS 10 -21.530 7.447 -11.818 43 HA HIS 10 HA HIS 10 -21.989 9.685 -13.402 44 HB2 HIS 10 1HB HIS 10 -22.308 10.914 -11.345 45 HB3 HIS 10 2HB HIS 10 -20.816 10.285 -10.676 46 HD1 HIS 10 1HD HIS 10 -18.593 10.938 -12.339 47 HD2 HIS 10 2HD HIS 10 -21.986 13.403 -12.401 48 HE1 HIS 10 1HE HIS 10 -17.828 13.184 -13.278 49 H SER 11 H SER 11 -19.412 8.502 -11.117 50 HA SER 11 HA SER 11 -17.675 8.358 -13.447 51 HB2 SER 11 1HB SER 11 -15.811 8.321 -11.765 52 HB3 SER 11 2HB SER 11 -16.782 9.778 -11.693 53 HG SER 11 HG SER 11 -16.605 9.153 -9.570 54 H ASP 12 H ASP 12 -18.727 6.292 -14.102 55 HA ASP 12 HA ASP 12 -17.723 4.107 -12.455 56 HB2 ASP 12 1HB ASP 12 -20.436 4.631 -13.549 57 HB3 ASP 12 2HB ASP 12 -19.846 3.017 -13.893 58 H LYS 13 H LYS 13 -15.812 4.303 -13.974 59 HA LYS 13 HA LYS 13 -16.447 3.215 -16.629 60 HB2 LYS 13 1HB LYS 13 -14.540 4.399 -17.506 61 HB3 LYS 13 2HB LYS 13 -15.601 5.534 -16.697 62 HG2 LYS 13 1HG LYS 13 -14.059 6.021 -15.067 63 HG3 LYS 13 2HG LYS 13 -13.553 4.351 -14.902 64 HD2 LYS 13 1HD LYS 13 -11.651 4.954 -15.994 65 HD3 LYS 13 2HD LYS 13 -12.622 5.007 -17.452 66 HE2 LYS 13 1HE LYS 13 -13.195 7.478 -16.331 67 HE3 LYS 13 2HE LYS 13 -11.534 7.248 -15.822 68 HZ1 LYS 13 1HZ LYS 13 -12.329 8.083 -18.252 69 HZ2 LYS 13 2HZ LYS 13 -10.837 7.528 -17.887 70 HZ3 LYS 13 3HZ LYS 13 -11.949 6.520 -18.533 71 H HIS 14 H HIS 14 -13.554 2.743 -17.133 72 HA HIS 14 HA HIS 14 -13.453 0.134 -16.143 73 HB2 HIS 14 1HB HIS 14 -11.121 1.732 -17.219 74 HB3 HIS 14 2HB HIS 14 -11.327 -0.008 -17.235 75 HD1 HIS 14 1HD HIS 14 -12.453 -1.022 -19.259 76 HD2 HIS 14 2HD HIS 14 -12.988 3.132 -19.019 77 HE1 HIS 14 1HE HIS 14 -13.567 -0.317 -21.444 78 HA PRO 15 HA PRO 15 -11.598 0.732 -12.280 79 HB2 PRO 15 1HB PRO 15 -10.546 -1.748 -11.822 80 HB3 PRO 15 2HB PRO 15 -12.237 -1.363 -11.570 81 HG2 PRO 15 1HG PRO 15 -10.993 -2.900 -13.768 82 HG3 PRO 15 2HG PRO 15 -12.672 -2.863 -13.268 83 HD2 PRO 15 1HD PRO 15 -11.529 -1.541 -15.542 84 HD3 PRO 15 2HD PRO 15 -13.182 -1.411 -14.975 85 H VAL 16 H VAL 16 -9.722 -0.202 -14.983 86 HA VAL 16 HA VAL 16 -7.346 0.765 -13.547 87 HB VAL 16 HB VAL 16 -7.567 -1.156 -15.874 88 HG11 VAL 16 1HG1 VAL 16 -5.539 0.219 -16.007 89 HG12 VAL 16 2HG1 VAL 16 -5.122 -0.219 -14.332 90 HG13 VAL 16 3HG1 VAL 16 -5.144 -1.468 -15.600 91 HG21 VAL 16 1HG2 VAL 16 -6.594 -1.757 -13.069 92 HG22 VAL 16 2HG2 VAL 16 -8.284 -1.991 -13.577 93 HG23 VAL 16 3HG2 VAL 16 -6.980 -2.903 -14.376 94 H THR 17 H THR 17 -6.154 2.440 -14.456 95 HA THR 17 HA THR 17 -6.849 3.331 -17.132 96 HB THR 17 HB THR 17 -7.030 5.728 -15.855 97 HG1 THR 17 1HG THR 17 -8.308 5.146 -13.865 98 HG21 THR 17 1HG2 THR 17 -8.854 4.894 -17.293 99 HG22 THR 17 2HG2 THR 17 -9.271 3.652 -16.088 100 HG23 THR 17 3HG2 THR 17 -9.538 5.373 -15.722 101 H TRP 18 H TRP 18 -5.133 4.150 -18.214 102 HA TRP 18 HA TRP 18 -2.790 4.841 -16.585 103 HB2 TRP 18 1HB TRP 18 -2.848 3.083 -19.042 104 HB3 TRP 18 2HB TRP 18 -1.390 3.771 -18.357 105 HD1 TRP 18 HD TRP 18 -4.008 1.046 -17.643 106 HE1 TRP 18 1HE TRP 18 -3.183 -0.612 -15.763 107 HE3 TRP 18 3HE TRP 18 0.111 3.732 -16.348 108 HZ2 TRP 18 2HZ TRP 18 -0.951 -0.614 -13.985 109 HZ3 TRP 18 3HZ TRP 18 1.560 2.831 -14.530 110 HH2 TRP 18 HH TRP 18 1.085 0.737 -13.362 111 H GLN 19 H GLN 19 -2.584 7.024 -16.898 112 HA GLN 19 HA GLN 19 -2.676 7.915 -19.658 113 HB2 GLN 19 1HB GLN 19 -4.092 9.281 -17.327 114 HB3 GLN 19 2HB GLN 19 -3.879 10.005 -18.909 115 HG2 GLN 19 1HG GLN 19 -5.121 7.254 -18.737 116 HG3 GLN 19 2HG GLN 19 -6.100 8.641 -18.305 117 HE21 GLN 19 1HE2 GLN 19 -7.284 7.713 -20.200 118 HE22 GLN 19 2HE2 GLN 19 -6.907 8.323 -21.777 119 HA PRO 20 HA PRO 20 0.901 10.061 -18.463 120 HB2 PRO 20 1HB PRO 20 1.005 12.083 -20.299 121 HB3 PRO 20 2HB PRO 20 1.509 10.442 -20.651 122 HG2 PRO 20 1HG PRO 20 -0.955 11.843 -21.489 123 HG3 PRO 20 2HG PRO 20 -0.236 10.392 -22.159 124 HD2 PRO 20 1HD PRO 20 -2.521 10.536 -20.432 125 HD3 PRO 20 2HD PRO 20 -1.732 9.081 -21.007 126 H SER 21 H SER 21 1.895 11.962 -17.505 127 HA SER 21 HA SER 21 -0.086 13.221 -15.907 128 HB2 SER 21 1HB SER 21 1.700 13.976 -14.587 129 HB3 SER 21 2HB SER 21 2.341 12.491 -15.260 130 HG SER 21 HG SER 21 3.742 14.495 -15.356 131 H LYS 22 H LYS 22 0.664 15.826 -15.524 132 HA LYS 22 HA LYS 22 -0.491 17.188 -17.585 133 HB2 LYS 22 1HB LYS 22 0.273 17.835 -15.111 134 HB3 LYS 22 2HB LYS 22 1.616 18.563 -15.970 135 HG2 LYS 22 1HG LYS 22 -1.143 19.079 -17.057 136 HG3 LYS 22 2HG LYS 22 -0.720 19.868 -15.551 137 HD2 LYS 22 1HD LYS 22 1.320 20.834 -16.615 138 HD3 LYS 22 2HD LYS 22 0.929 20.023 -18.119 139 HE2 LYS 22 1HE LYS 22 -1.069 21.348 -18.436 140 HE3 LYS 22 2HE LYS 22 -1.027 21.943 -16.788 141 HZ1 LYS 22 1HZ LYS 22 1.388 22.536 -18.075 142 HZ2 LYS 22 2HZ LYS 22 0.146 23.079 -18.986 143 HZ3 LYS 22 3HZ LYS 22 0.292 23.563 -17.434 144 H ASP 23 H ASP 23 3.035 16.608 -16.999 145 HA ASP 23 HA ASP 23 3.791 18.011 -19.301 146 HB2 ASP 23 1HB ASP 23 5.106 17.067 -17.115 147 HB3 ASP 23 2HB ASP 23 5.504 15.782 -18.237 148 H GLY 24 H GLY 24 4.077 14.461 -18.483 149 HA2 GLY 24 1HA GLY 24 2.799 13.026 -20.141 150 HA3 GLY 24 2HA GLY 24 3.758 13.849 -21.354 151 H ASP 25 H ASP 25 6.184 14.070 -19.602 152 HA ASP 25 HA ASP 25 7.529 11.895 -20.437 153 HB2 ASP 25 1HB ASP 25 8.022 13.395 -17.822 154 HB3 ASP 25 2HB ASP 25 9.217 12.461 -18.700 155 H ARG 26 H ARG 26 5.598 12.396 -17.445 156 HA ARG 26 HA ARG 26 6.313 9.736 -16.566 157 HB2 ARG 26 1HB ARG 26 4.922 12.093 -15.225 158 HB3 ARG 26 2HB ARG 26 4.895 10.498 -14.498 159 HG2 ARG 26 1HG ARG 26 7.575 11.524 -15.392 160 HG3 ARG 26 2HG ARG 26 6.858 12.311 -14.000 161 HD2 ARG 26 1HD ARG 26 6.873 10.335 -12.697 162 HD3 ARG 26 2HD ARG 26 6.905 9.285 -14.100 163 HE ARG 26 HE ARG 26 9.293 10.609 -14.349 164 HH11 ARG 26 2HH2 ARG 26 7.789 8.947 -11.636 165 HH12 ARG 26 1HH2 ARG 26 9.297 8.493 -10.914 166 HH21 ARG 26 2HH1 ARG 26 11.282 10.009 -13.397 167 HH22 ARG 26 1HH1 ARG 26 11.297 9.101 -11.923 168 H LEU 27 H LEU 27 4.736 8.065 -16.322 169 HA LEU 27 HA LEU 27 2.164 8.683 -17.593 170 HB2 LEU 27 1HB LEU 27 4.009 6.892 -18.397 171 HB3 LEU 27 2HB LEU 27 3.085 5.882 -17.303 172 HG LEU 27 HG LEU 27 1.815 5.455 -19.095 173 HD11 LEU 27 1HD1 LEU 27 -0.155 6.593 -19.085 174 HD12 LEU 27 2HD1 LEU 27 0.563 7.267 -17.603 175 HD13 LEU 27 3HD1 LEU 27 0.630 8.190 -19.123 176 HD21 LEU 27 1HD2 LEU 27 1.864 7.736 -20.808 177 HD22 LEU 27 2HD2 LEU 27 3.527 7.400 -20.271 178 HD23 LEU 27 3HD2 LEU 27 2.573 6.124 -21.066 179 H ILE 28 H ILE 28 0.561 8.998 -16.149 180 HA ILE 28 HA ILE 28 0.807 7.774 -13.533 181 HB ILE 28 HB ILE 28 -1.369 9.599 -14.538 182 HG12 ILE 28 1HG1 ILE 28 0.608 10.805 -15.031 183 HG13 ILE 28 2HG1 ILE 28 0.001 11.449 -13.518 184 HG21 ILE 28 1HG2 ILE 28 -1.871 10.008 -12.300 185 HG22 ILE 28 2HG2 ILE 28 -1.546 8.259 -12.342 186 HG23 ILE 28 3HG2 ILE 28 -0.307 9.379 -11.729 187 HD11 ILE 28 1HD1 ILE 28 1.602 10.003 -12.256 188 HD12 ILE 28 2HD1 ILE 28 2.230 9.380 -13.801 189 HD13 ILE 28 3HD1 ILE 28 2.439 11.098 -13.382 190 H GLY 29 H GLY 29 -0.574 6.199 -12.695 191 HA2 GLY 29 1HA GLY 29 -2.606 5.128 -14.547 192 HA3 GLY 29 2HA GLY 29 -1.392 4.075 -13.848 193 H ARG 30 H ARG 30 -4.512 4.586 -13.537 194 HA ARG 30 HA ARG 30 -4.402 4.570 -10.627 195 HB2 ARG 30 1HB ARG 30 -5.765 6.405 -12.204 196 HB3 ARG 30 2HB ARG 30 -7.020 5.221 -11.900 197 HG2 ARG 30 1HG ARG 30 -6.972 5.558 -9.564 198 HG3 ARG 30 2HG ARG 30 -5.328 6.165 -9.578 199 HD2 ARG 30 1HD ARG 30 -6.439 8.110 -11.083 200 HD3 ARG 30 2HD ARG 30 -7.892 7.609 -10.242 201 HE ARG 30 HE ARG 30 -7.008 8.440 -8.218 202 HH11 ARG 30 2HH2 ARG 30 -4.518 8.403 -10.703 203 HH12 ARG 30 1HH2 ARG 30 -3.396 9.340 -9.773 204 HH21 ARG 30 2HH1 ARG 30 -5.529 9.676 -6.990 205 HH22 ARG 30 1HH1 ARG 30 -3.976 10.069 -7.647 206 H ILE 31 H ILE 31 -4.553 2.400 -10.075 207 HA ILE 31 HA ILE 31 -6.277 0.695 -11.680 208 HB ILE 31 HB ILE 31 -4.162 0.205 -9.599 209 HG12 ILE 31 1HG1 ILE 31 -3.664 -1.349 -11.830 210 HG13 ILE 31 2HG1 ILE 31 -4.347 0.105 -12.529 211 HG21 ILE 31 1HG2 ILE 31 -4.633 -2.260 -10.063 212 HG22 ILE 31 2HG2 ILE 31 -5.762 -1.402 -8.987 213 HG23 ILE 31 3HG2 ILE 31 -6.216 -1.726 -10.678 214 HD11 ILE 31 1HD1 ILE 31 -1.714 -0.150 -11.836 215 HD12 ILE 31 2HD1 ILE 31 -2.564 1.412 -11.905 216 HD13 ILE 31 3HD1 ILE 31 -2.367 0.574 -10.347 217 H LEU 32 H LEU 32 -7.876 -0.728 -10.624 218 HA LEU 32 HA LEU 32 -8.793 0.279 -8.042 219 HB2 LEU 32 1HB LEU 32 -10.009 1.551 -9.717 220 HB3 LEU 32 2HB LEU 32 -10.496 0.076 -10.529 221 HG LEU 32 HG LEU 32 -12.128 1.348 -8.907 222 HD11 LEU 32 1HD1 LEU 32 -13.146 -0.453 -9.810 223 HD12 LEU 32 2HD1 LEU 32 -11.771 -1.537 -9.487 224 HD13 LEU 32 3HD1 LEU 32 -12.907 -1.127 -8.180 225 HD21 LEU 32 1HD2 LEU 32 -11.073 -0.545 -6.848 226 HD22 LEU 32 2HD2 LEU 32 -10.272 1.031 -7.055 227 HD23 LEU 32 3HD2 LEU 32 -12.005 0.960 -6.657 228 H LEU 33 H LEU 33 -9.357 -1.349 -6.671 229 HA LEU 33 HA LEU 33 -9.744 -3.988 -7.905 230 HB2 LEU 33 1HB LEU 33 -8.186 -3.228 -5.437 231 HB3 LEU 33 2HB LEU 33 -8.704 -4.868 -5.772 232 HG LEU 33 HG LEU 33 -7.067 -3.338 -7.786 233 HD11 LEU 33 1HD1 LEU 33 -5.192 -3.418 -6.598 234 HD12 LEU 33 2HD1 LEU 33 -6.187 -3.820 -5.178 235 HD13 LEU 33 3HD1 LEU 33 -5.465 -5.120 -6.156 236 HD21 LEU 33 1HD2 LEU 33 -6.737 -6.249 -7.350 237 HD22 LEU 33 2HD2 LEU 33 -8.310 -5.724 -7.997 238 HD23 LEU 33 3HD2 LEU 33 -6.810 -5.306 -8.858 239 H ASN 34 H ASN 34 -11.351 -5.331 -6.979 240 HA ASN 34 HA ASN 34 -13.052 -3.895 -5.095 241 HB2 ASN 34 1HB ASN 34 -13.990 -4.216 -7.463 242 HB3 ASN 34 2HB ASN 34 -13.944 -5.946 -7.187 243 HD21 ASN 34 1HD2 ASN 34 -16.059 -6.392 -7.191 244 HD22 ASN 34 2HD2 ASN 34 -17.218 -5.796 -6.050 245 H LYS 35 H LYS 35 -14.591 -5.625 -3.915 246 HA LYS 35 HA LYS 35 -13.182 -8.156 -3.548 247 HB2 LYS 35 1HB LYS 35 -14.010 -6.367 -1.244 248 HB3 LYS 35 2HB LYS 35 -13.266 -7.948 -1.124 249 HG2 LYS 35 1HG LYS 35 -11.235 -7.104 -2.290 250 HG3 LYS 35 2HG LYS 35 -11.980 -5.530 -2.479 251 HD2 LYS 35 1HD LYS 35 -11.368 -4.912 -0.383 252 HD3 LYS 35 2HD LYS 35 -12.132 -6.326 0.315 253 HE2 LYS 35 1HE LYS 35 -9.934 -6.787 0.898 254 HE3 LYS 35 2HE LYS 35 -9.962 -7.570 -0.669 255 HZ1 LYS 35 1HZ LYS 35 -9.148 -5.450 -1.596 256 HZ2 LYS 35 2HZ LYS 35 -8.968 -4.872 -0.079 257 HZ3 LYS 35 3HZ LYS 35 -8.094 -6.161 -0.570 258 H ARG 36 H ARG 36 -16.074 -6.104 -2.836 259 HA ARG 36 HA ARG 36 -17.795 -7.838 -1.894 260 HB2 ARG 36 1HB ARG 36 -18.153 -5.737 -4.062 261 HB3 ARG 36 2HB ARG 36 -19.533 -6.671 -3.519 262 HG2 ARG 36 1HG ARG 36 -19.419 -5.808 -1.309 263 HG3 ARG 36 2HG ARG 36 -17.741 -5.331 -1.474 264 HD2 ARG 36 1HD ARG 36 -18.338 -3.267 -2.216 265 HD3 ARG 36 2HD ARG 36 -19.316 -3.956 -3.497 266 HE ARG 36 HE ARG 36 -20.260 -3.057 -0.857 267 HH11 ARG 36 2HH2 ARG 36 -20.996 -4.949 -3.731 268 HH12 ARG 36 1HH2 ARG 36 -22.708 -4.905 -3.478 269 HH21 ARG 36 2HH1 ARG 36 -22.519 -2.998 -0.522 270 HH22 ARG 36 1HH1 ARG 36 -23.581 -3.787 -1.640 271 H LEU 37 H LEU 37 -18.899 -9.712 -2.521 272 HA LEU 37 HA LEU 37 -17.973 -11.043 -4.848 273 HB2 LEU 37 1HB LEU 37 -20.192 -11.721 -2.913 274 HB3 LEU 37 2HB LEU 37 -19.557 -12.795 -4.144 275 HG LEU 37 HG LEU 37 -17.578 -11.667 -2.230 276 HD11 LEU 37 1HD1 LEU 37 -18.471 -12.409 -0.341 277 HD12 LEU 37 2HD1 LEU 37 -19.971 -12.775 -1.227 278 HD13 LEU 37 3HD1 LEU 37 -18.718 -14.025 -1.044 279 HD21 LEU 37 1HD2 LEU 37 -16.347 -13.251 -3.169 280 HD22 LEU 37 2HD2 LEU 37 -17.439 -14.491 -2.507 281 HD23 LEU 37 3HD2 LEU 37 -17.748 -13.803 -4.119 282 H LYS 38 H LYS 38 -20.151 -12.296 -5.983 283 HA LYS 38 HA LYS 38 -21.039 -10.341 -7.770 284 HB2 LYS 38 1HB LYS 38 -20.966 -13.116 -7.654 285 HB3 LYS 38 2HB LYS 38 -22.682 -12.762 -7.648 286 HG2 LYS 38 1HG LYS 38 -22.520 -12.490 -9.898 287 HG3 LYS 38 2HG LYS 38 -21.690 -10.982 -9.569 288 HD2 LYS 38 1HD LYS 38 -19.506 -12.072 -9.662 289 HD3 LYS 38 2HD LYS 38 -20.240 -13.662 -9.720 290 HE2 LYS 38 1HE LYS 38 -20.563 -13.542 -11.974 291 HE3 LYS 38 2HE LYS 38 -21.281 -11.947 -11.865 292 HZ1 LYS 38 1HZ LYS 38 -18.651 -12.648 -12.569 293 HZ2 LYS 38 2HZ LYS 38 -19.406 -11.207 -12.719 294 HZ3 LYS 38 3HZ LYS 38 -18.634 -11.584 -11.330 295 H ASP 39 H ASP 39 -22.447 -11.749 -4.792 296 HA ASP 39 HA ASP 39 -25.001 -10.776 -5.144 297 HB2 ASP 39 1HB ASP 39 -23.366 -11.903 -2.992 298 HB3 ASP 39 2HB ASP 39 -24.408 -10.641 -2.364 299 H GLY 40 H GLY 40 -22.018 -9.385 -3.636 300 HA2 GLY 40 1HA GLY 40 -21.652 -7.009 -3.975 301 HA3 GLY 40 2HA GLY 40 -23.345 -6.740 -3.612 302 H SER 41 H SER 41 -20.656 -8.654 -2.069 303 HA SER 41 HA SER 41 -20.669 -6.964 0.187 304 HB2 SER 41 1HB SER 41 -21.671 -9.797 0.680 305 HB3 SER 41 2HB SER 41 -21.526 -8.504 1.854 306 HG SER 41 HG SER 41 -23.648 -9.102 0.292 307 H VAL 42 H VAL 42 -18.750 -7.275 1.408 308 HA VAL 42 HA VAL 42 -16.785 -8.910 0.138 309 HB VAL 42 HB VAL 42 -16.805 -7.115 2.564 310 HG11 VAL 42 1HG1 VAL 42 -14.826 -7.890 3.239 311 HG12 VAL 42 2HG1 VAL 42 -14.984 -9.213 2.059 312 HG13 VAL 42 3HG1 VAL 42 -14.147 -7.710 1.604 313 HG21 VAL 42 1HG2 VAL 42 -14.994 -6.167 0.667 314 HG22 VAL 42 2HG2 VAL 42 -16.377 -6.739 -0.297 315 HG23 VAL 42 3HG2 VAL 42 -16.626 -5.534 0.990 316 HA PRO 43 HA PRO 43 -17.581 -12.402 2.612 317 HB2 PRO 43 1HB PRO 43 -15.635 -14.030 1.597 318 HB3 PRO 43 2HB PRO 43 -17.206 -13.832 0.846 319 HG2 PRO 43 1HG PRO 43 -14.597 -12.720 0.010 320 HG3 PRO 43 2HG PRO 43 -16.068 -12.894 -0.928 321 HD2 PRO 43 1HD PRO 43 -15.045 -10.477 0.229 322 HD3 PRO 43 2HD PRO 43 -16.572 -10.674 -0.608 323 H ARG 44 H ARG 44 -16.242 -14.094 3.965 324 HA ARG 44 HA ARG 44 -15.266 -12.768 6.051 325 HB2 ARG 44 1HB ARG 44 -14.459 -15.487 4.927 326 HB3 ARG 44 2HB ARG 44 -13.852 -14.923 6.471 327 HG2 ARG 44 1HG ARG 44 -16.798 -14.639 6.142 328 HG3 ARG 44 2HG ARG 44 -16.231 -16.296 6.114 329 HD2 ARG 44 1HD ARG 44 -15.121 -16.024 8.288 330 HD3 ARG 44 2HD ARG 44 -15.450 -14.303 8.294 331 HE ARG 44 HE ARG 44 -17.873 -15.929 8.039 332 HH11 ARG 44 2HH2 ARG 44 -15.595 -14.496 10.306 333 HH12 ARG 44 1HH2 ARG 44 -16.718 -14.483 11.624 334 HH21 ARG 44 2HH1 ARG 44 -19.356 -15.912 9.777 335 HH22 ARG 44 1HH1 ARG 44 -18.872 -15.294 11.321 336 H ASP 45 H ASP 45 -13.654 -13.388 2.960 337 HA ASP 45 HA ASP 45 -11.773 -11.452 3.326 338 HB2 ASP 45 1HB ASP 45 -9.789 -13.348 3.306 339 HB3 ASP 45 2HB ASP 45 -10.293 -12.473 4.738 340 H SER 46 H SER 46 -12.199 -11.058 1.096 341 HA SER 46 HA SER 46 -12.250 -13.179 -0.759 342 HB2 SER 46 1HB SER 46 -13.558 -11.080 -1.037 343 HB3 SER 46 2HB SER 46 -12.072 -10.163 -1.191 344 HG SER 46 HG SER 46 -11.566 -11.517 -3.097 345 H GLY 47 H GLY 47 -10.060 -10.276 -0.461 346 HA2 GLY 47 1HA GLY 47 -7.729 -11.930 -0.927 347 HA3 GLY 47 2HA GLY 47 -8.140 -10.857 -2.251 348 H ALA 48 H ALA 48 -7.121 -11.051 1.160 349 HA ALA 48 HA ALA 48 -7.176 -8.378 1.830 350 HB1 ALA 48 1HB ALA 48 -5.540 -10.774 2.639 351 HB2 ALA 48 2HB ALA 48 -5.098 -9.167 3.263 352 HB3 ALA 48 3HB ALA 48 -6.717 -9.833 3.586 353 H MET 49 H MET 49 -4.346 -10.267 0.531 354 HA MET 49 HA MET 49 -3.050 -7.784 -0.076 355 HB2 MET 49 1HB MET 49 -2.346 -10.629 0.254 356 HB3 MET 49 2HB MET 49 -1.598 -9.974 -1.189 357 HG2 MET 49 1HG MET 49 -1.348 -8.051 0.990 358 HG3 MET 49 2HG MET 49 -0.757 -9.614 1.518 359 HE1 MET 49 1HE MET 49 0.843 -6.589 -1.220 360 HE2 MET 49 2HE MET 49 -0.272 -6.572 0.167 361 HE3 MET 49 3HE MET 49 1.482 -6.718 0.436 362 H LEU 50 H LEU 50 -5.533 -9.303 -1.538 363 HA LEU 50 HA LEU 50 -6.392 -9.229 -3.572 364 HB2 LEU 50 1HB LEU 50 -4.031 -7.440 -4.153 365 HB3 LEU 50 2HB LEU 50 -5.310 -7.770 -5.304 366 HG LEU 50 HG LEU 50 -5.631 -5.621 -4.194 367 HD11 LEU 50 1HD1 LEU 50 -7.548 -7.561 -4.607 368 HD12 LEU 50 2HD1 LEU 50 -7.879 -7.016 -2.945 369 HD13 LEU 50 3HD1 LEU 50 -7.851 -5.838 -4.279 370 HD21 LEU 50 1HD2 LEU 50 -5.949 -7.152 -1.601 371 HD22 LEU 50 2HD2 LEU 50 -4.497 -6.232 -2.062 372 HD23 LEU 50 3HD2 LEU 50 -6.051 -5.392 -1.842 373 H GLY 51 H GLY 51 -2.788 -9.417 -4.036 374 HA2 GLY 51 1HA GLY 51 -2.639 -12.115 -4.570 375 HA3 GLY 51 2HA GLY 51 -3.021 -11.364 -6.106 376 H LEU 52 H LEU 52 -1.639 -8.777 -5.366 377 HA LEU 52 HA LEU 52 1.058 -9.726 -5.943 378 HB2 LEU 52 1HB LEU 52 1.409 -7.789 -7.076 379 HB3 LEU 52 2HB LEU 52 -0.306 -8.025 -7.346 380 HG LEU 52 HG LEU 52 -0.021 -5.731 -6.889 381 HD11 LEU 52 1HD1 LEU 52 -1.401 -5.347 -4.987 382 HD12 LEU 52 2HD1 LEU 52 -1.909 -6.894 -5.706 383 HD13 LEU 52 3HD1 LEU 52 -0.907 -6.883 -4.235 384 HD21 LEU 52 1HD2 LEU 52 2.286 -6.231 -5.741 385 HD22 LEU 52 2HD2 LEU 52 1.372 -4.755 -5.345 386 HD23 LEU 52 3HD2 LEU 52 1.323 -6.154 -4.245 387 H LYS 53 H LYS 53 2.871 -8.291 -4.952 388 HA LYS 53 HA LYS 53 2.156 -7.768 -2.150 389 HB2 LYS 53 1HB LYS 53 3.691 -9.848 -2.941 390 HB3 LYS 53 2HB LYS 53 4.930 -8.616 -2.805 391 HG2 LYS 53 1HG LYS 53 3.176 -8.379 -0.517 392 HG3 LYS 53 2HG LYS 53 3.622 -10.065 -0.687 393 HD2 LYS 53 1HD LYS 53 5.833 -9.676 -0.180 394 HD3 LYS 53 2HD LYS 53 5.883 -8.168 -1.070 395 HE2 LYS 53 1HE LYS 53 6.078 -7.395 1.135 396 HE3 LYS 53 2HE LYS 53 4.351 -7.249 0.880 397 HZ1 LYS 53 1HZ LYS 53 5.452 -9.728 1.951 398 HZ2 LYS 53 2HZ LYS 53 5.200 -8.453 2.939 399 HZ3 LYS 53 3HZ LYS 53 3.948 -9.115 2.126 400 H VAL 54 H VAL 54 2.900 -5.858 -1.242 401 HA VAL 54 HA VAL 54 4.348 -4.112 -3.112 402 HB VAL 54 HB VAL 54 2.280 -3.474 -1.001 403 HG11 VAL 54 1HG1 VAL 54 4.329 -1.796 -2.293 404 HG12 VAL 54 2HG1 VAL 54 2.674 -1.151 -2.408 405 HG13 VAL 54 3HG1 VAL 54 3.378 -1.517 -0.815 406 HG21 VAL 54 1HG2 VAL 54 0.769 -3.077 -2.693 407 HG22 VAL 54 2HG2 VAL 54 2.035 -2.731 -3.896 408 HG23 VAL 54 3HG2 VAL 54 1.707 -4.411 -3.408 409 H VAL 55 H VAL 55 6.063 -2.827 -2.279 410 HA VAL 55 HA VAL 55 6.854 -3.504 0.464 411 HB VAL 55 HB VAL 55 8.386 -3.759 -2.096 412 HG11 VAL 55 1HG1 VAL 55 9.889 -2.313 -1.060 413 HG12 VAL 55 2HG1 VAL 55 9.497 -2.905 0.572 414 HG13 VAL 55 3HG1 VAL 55 10.465 -3.912 -0.532 415 HG21 VAL 55 1HG2 VAL 55 7.360 -5.741 -1.004 416 HG22 VAL 55 2HG2 VAL 55 9.134 -5.846 -1.105 417 HG23 VAL 55 3HG2 VAL 55 8.353 -5.430 0.440 418 H GLY 56 H GLY 56 6.773 -1.651 1.618 419 HA2 GLY 56 1HA GLY 56 7.321 0.876 0.205 420 HA3 GLY 56 2HA GLY 56 6.399 0.687 1.683 421 H GLY 57 H GLY 57 7.921 2.465 2.429 422 HA2 GLY 57 1HA GLY 57 9.685 3.167 3.631 423 HA3 GLY 57 2HA GLY 57 9.780 1.527 4.242 424 H LYS 58 H LYS 58 10.060 1.877 0.766 425 HA LYS 58 HA LYS 58 12.734 0.880 0.869 426 HB2 LYS 58 1HB LYS 58 10.771 0.410 -0.824 427 HB3 LYS 58 2HB LYS 58 11.392 1.827 -1.645 428 HG2 LYS 58 1HG LYS 58 13.715 0.372 -1.043 429 HG3 LYS 58 2HG LYS 58 12.555 -0.879 -1.441 430 HD2 LYS 58 1HD LYS 58 12.351 1.359 -3.324 431 HD3 LYS 58 2HD LYS 58 13.994 0.752 -3.260 432 HE2 LYS 58 1HE LYS 58 13.072 -1.599 -3.584 433 HE3 LYS 58 2HE LYS 58 11.481 -0.899 -3.804 434 HZ1 LYS 58 1HZ LYS 58 13.681 0.116 -5.410 435 HZ2 LYS 58 2HZ LYS 58 13.009 -1.316 -5.815 436 HZ3 LYS 58 3HZ LYS 58 12.091 0.033 -5.771 437 H MET 59 H MET 59 14.609 2.010 0.851 438 HA MET 59 HA MET 59 14.421 4.843 0.894 439 HB2 MET 59 1HB MET 59 16.341 2.727 1.585 440 HB3 MET 59 2HB MET 59 17.155 4.009 0.711 441 HG2 MET 59 1HG MET 59 15.301 4.596 3.059 442 HG3 MET 59 2HG MET 59 17.004 4.254 3.290 443 HE1 MET 59 1HE MET 59 15.539 8.046 3.368 444 HE2 MET 59 2HE MET 59 14.576 7.448 1.995 445 HE3 MET 59 3HE MET 59 14.698 6.482 3.485 446 H THR 60 H THR 60 14.383 6.119 -0.901 447 HA THR 60 HA THR 60 15.325 5.010 -3.414 448 HB THR 60 HB THR 60 14.119 6.912 -4.362 449 HG1 THR 60 1HG THR 60 13.713 7.779 -1.609 450 HG21 THR 60 1HG2 THR 60 12.723 5.804 -1.875 451 HG22 THR 60 2HG2 THR 60 11.916 6.884 -3.038 452 HG23 THR 60 3HG2 THR 60 12.491 5.282 -3.561 453 H GLU 61 H GLU 61 16.173 7.300 -4.758 454 HA GLU 61 HA GLU 61 18.782 7.518 -3.559 455 HB2 GLU 61 1HB GLU 61 19.280 8.696 -5.809 456 HB3 GLU 61 2HB GLU 61 18.904 6.985 -5.861 457 HG2 GLU 61 1HG GLU 61 16.794 7.324 -6.813 458 HG3 GLU 61 2HG GLU 61 16.597 8.908 -6.088 459 H SER 62 H SER 62 15.984 9.060 -2.989 460 HA SER 62 HA SER 62 17.258 11.684 -2.928 461 HB2 SER 62 1HB SER 62 14.871 11.011 -4.139 462 HB3 SER 62 2HB SER 62 14.308 11.538 -2.566 463 HG SER 62 HG SER 62 14.426 13.473 -3.527 464 H GLY 63 H GLY 63 16.984 9.114 -1.031 465 HA2 GLY 63 1HA GLY 63 17.061 8.819 1.200 466 HA3 GLY 63 2HA GLY 63 17.083 10.559 1.403 467 H ARG 64 H ARG 64 14.459 9.207 -0.512 468 HA ARG 64 HA ARG 64 12.708 9.743 1.746 469 HB2 ARG 64 1HB ARG 64 12.558 10.312 -1.165 470 HB3 ARG 64 2HB ARG 64 11.079 9.622 -0.526 471 HG2 ARG 64 1HG ARG 64 11.199 11.378 1.350 472 HG3 ARG 64 2HG ARG 64 12.505 12.133 0.457 473 HD2 ARG 64 1HD ARG 64 10.213 11.571 -1.297 474 HD3 ARG 64 2HD ARG 64 9.734 12.554 0.072 475 HE ARG 64 HE ARG 64 12.194 13.577 -1.010 476 HH11 ARG 64 2HH2 ARG 64 8.759 13.376 -1.749 477 HH12 ARG 64 1HH2 ARG 64 8.752 14.816 -2.712 478 HH21 ARG 64 2HH1 ARG 64 12.185 15.477 -2.281 479 HH22 ARG 64 1HH1 ARG 64 10.713 16.019 -3.017 480 H LEU 65 H LEU 65 10.447 8.431 1.349 481 HA LEU 65 HA LEU 65 11.257 5.658 0.818 482 HB2 LEU 65 1HB LEU 65 9.143 6.688 2.716 483 HB3 LEU 65 2HB LEU 65 9.544 5.005 2.433 484 HG LEU 65 HG LEU 65 11.510 7.031 3.531 485 HD11 LEU 65 1HD1 LEU 65 9.278 6.292 4.867 486 HD12 LEU 65 2HD1 LEU 65 10.383 4.979 5.341 487 HD13 LEU 65 3HD1 LEU 65 10.831 6.673 5.650 488 HD21 LEU 65 1HD2 LEU 65 12.899 5.183 4.077 489 HD22 LEU 65 2HD2 LEU 65 11.627 4.011 3.657 490 HD23 LEU 65 3HD2 LEU 65 12.406 4.976 2.380 491 H CYS 66 H CYS 66 9.925 4.356 -0.476 492 HA CYS 66 HA CYS 66 7.461 5.488 -1.441 493 HB2 CYS 66 1HB CYS 66 9.844 5.093 -3.267 494 HB3 CYS 66 2HB CYS 66 8.196 5.099 -3.864 495 HG CYS 66 HG CYS 66 9.081 7.447 -4.335 496 H ALA 67 H ALA 67 6.167 3.802 -2.557 497 HA ALA 67 HA ALA 67 7.088 1.126 -1.792 498 HB1 ALA 67 1HB ALA 67 4.917 2.169 -0.880 499 HB2 ALA 67 2HB ALA 67 4.268 1.966 -2.525 500 HB3 ALA 67 3HB ALA 67 4.794 0.543 -1.595 501 H PHE 68 H PHE 68 6.821 -0.645 -3.302 502 HA PHE 68 HA PHE 68 6.163 0.071 -6.024 503 HB2 PHE 68 1HB PHE 68 8.849 -1.152 -5.151 504 HB3 PHE 68 2HB PHE 68 8.385 -0.820 -6.808 505 HD1 PHE 68 2HD PHE 68 7.953 1.631 -7.443 506 HD2 PHE 68 1HD PHE 68 9.955 0.474 -3.886 507 HE1 PHE 68 2HE PHE 68 8.964 3.922 -7.267 508 HE2 PHE 68 1HE PHE 68 10.966 2.764 -3.709 509 HZ PHE 68 HZ PHE 68 10.458 4.461 -5.402 510 H ILE 69 H ILE 69 5.548 -1.738 -7.296 511 HA ILE 69 HA ILE 69 4.651 -3.958 -5.799 512 HB ILE 69 HB ILE 69 4.765 -3.377 -8.757 513 HG12 ILE 69 1HG1 ILE 69 2.430 -3.330 -6.824 514 HG13 ILE 69 2HG1 ILE 69 3.330 -1.911 -7.322 515 HG21 ILE 69 1HG2 ILE 69 2.935 -5.470 -7.718 516 HG22 ILE 69 2HG2 ILE 69 3.791 -5.352 -9.274 517 HG23 ILE 69 3HG2 ILE 69 4.661 -5.892 -7.818 518 HD11 ILE 69 1HD1 ILE 69 2.502 -1.963 -9.501 519 HD12 ILE 69 2HD1 ILE 69 2.261 -3.726 -9.478 520 HD13 ILE 69 3HD1 ILE 69 1.121 -2.661 -8.621 521 H THR 70 H THR 70 5.575 -5.919 -5.395 522 HA THR 70 HA THR 70 8.280 -6.292 -6.466 523 HB THR 70 HB THR 70 8.643 -7.614 -4.480 524 HG1 THR 70 1HG THR 70 5.749 -7.357 -4.099 525 HG21 THR 70 1HG2 THR 70 6.720 -6.004 -2.987 526 HG22 THR 70 2HG2 THR 70 8.496 -5.882 -2.997 527 HG23 THR 70 3HG2 THR 70 7.536 -4.993 -4.204 528 H LYS 71 H LYS 71 5.192 -8.104 -5.910 529 HA LYS 71 HA LYS 71 5.713 -9.522 -8.379 530 HB2 LYS 71 1HB LYS 71 6.884 -10.884 -6.702 531 HB3 LYS 71 2HB LYS 71 5.425 -10.983 -5.736 532 HG2 LYS 71 1HG LYS 71 4.496 -12.585 -7.080 533 HG3 LYS 71 2HG LYS 71 4.967 -11.758 -8.552 534 HD2 LYS 71 1HD LYS 71 7.421 -12.566 -7.841 535 HD3 LYS 71 2HD LYS 71 6.532 -13.760 -6.916 536 HE2 LYS 71 1HE LYS 71 5.695 -14.827 -8.813 537 HE3 LYS 71 2HE LYS 71 5.669 -13.356 -9.766 538 HZ1 LYS 71 1HZ LYS 71 7.538 -15.248 -9.940 539 HZ2 LYS 71 2HZ LYS 71 7.739 -13.708 -10.443 540 HZ3 LYS 71 3HZ LYS 71 8.289 -14.166 -8.975 541 H VAL 72 H VAL 72 3.801 -10.278 -9.370 542 HA VAL 72 HA VAL 72 1.337 -9.775 -7.875 543 HB VAL 72 HB VAL 72 1.135 -7.873 -9.026 544 HG11 VAL 72 1HG1 VAL 72 3.376 -7.691 -9.789 545 HG12 VAL 72 2HG1 VAL 72 3.160 -8.998 -10.978 546 HG13 VAL 72 3HG1 VAL 72 2.350 -7.432 -11.220 547 HG21 VAL 72 1HG2 VAL 72 -0.188 -8.063 -10.948 548 HG22 VAL 72 2HG2 VAL 72 0.676 -9.510 -11.519 549 HG23 VAL 72 3HG2 VAL 72 -0.424 -9.623 -10.125 550 H LYS 73 H LYS 73 0.341 -11.718 -7.770 551 HA LYS 73 HA LYS 73 0.996 -13.894 -9.329 552 HB2 LYS 73 1HB LYS 73 -0.200 -13.896 -7.129 553 HB3 LYS 73 2HB LYS 73 -1.652 -13.363 -7.951 554 HG2 LYS 73 1HG LYS 73 -1.853 -15.742 -7.827 555 HG3 LYS 73 2HG LYS 73 -1.397 -15.415 -9.487 556 HD2 LYS 73 1HD LYS 73 1.027 -15.832 -8.838 557 HD3 LYS 73 2HD LYS 73 0.475 -16.304 -7.243 558 HE2 LYS 73 1HE LYS 73 -0.874 -17.650 -9.563 559 HE3 LYS 73 2HE LYS 73 0.803 -18.077 -9.289 560 HZ1 LYS 73 1HZ LYS 73 -1.373 -18.992 -7.912 561 HZ2 LYS 73 2HZ LYS 73 0.197 -19.271 -7.560 562 HZ3 LYS 73 3HZ LYS 73 -0.589 -18.025 -6.856 563 H LYS 74 H LYS 74 0.242 -14.786 -11.248 564 HA LYS 74 HA LYS 74 -1.194 -12.906 -12.932 565 HB2 LYS 74 1HB LYS 74 0.955 -13.990 -13.651 566 HB3 LYS 74 2HB LYS 74 0.126 -15.533 -13.669 567 HG2 LYS 74 1HG LYS 74 -0.629 -15.083 -15.756 568 HG3 LYS 74 2HG LYS 74 -1.556 -13.740 -15.116 569 HD2 LYS 74 1HD LYS 74 -0.209 -12.626 -16.666 570 HD3 LYS 74 2HD LYS 74 0.757 -12.443 -15.215 571 HE2 LYS 74 1HE LYS 74 2.322 -14.085 -15.879 572 HE3 LYS 74 2HE LYS 74 1.188 -14.887 -16.947 573 HZ1 LYS 74 1HZ LYS 74 1.845 -12.151 -17.589 574 HZ2 LYS 74 2HZ LYS 74 3.027 -13.254 -17.817 575 HZ3 LYS 74 3HZ LYS 74 1.594 -13.423 -18.582 576 H GLY 75 H GLY 75 -3.373 -12.950 -12.610 577 HA2 GLY 75 1HA GLY 75 -5.314 -14.170 -13.416 578 HA3 GLY 75 2HA GLY 75 -4.650 -15.618 -12.686 579 H SER 76 H SER 76 -4.351 -12.453 -11.080 580 HA SER 76 HA SER 76 -6.417 -13.335 -9.220 581 HB2 SER 76 1HB SER 76 -3.601 -12.749 -8.744 582 HB3 SER 76 2HB SER 76 -4.604 -11.652 -7.815 583 HG SER 76 HG SER 76 -5.228 -14.453 -7.828 584 H LEU 77 H LEU 77 -6.680 -11.112 -7.612 585 HA LEU 77 HA LEU 77 -8.160 -9.375 -9.170 586 HB2 LEU 77 1HB LEU 77 -7.010 -9.229 -6.400 587 HB3 LEU 77 2HB LEU 77 -7.889 -7.873 -7.079 588 HG LEU 77 HG LEU 77 -9.384 -9.158 -5.721 589 HD11 LEU 77 1HD1 LEU 77 -10.549 -10.189 -8.159 590 HD12 LEU 77 2HD1 LEU 77 -11.060 -8.824 -7.138 591 HD13 LEU 77 3HD1 LEU 77 -9.853 -8.572 -8.422 592 HD21 LEU 77 1HD2 LEU 77 -8.127 -11.280 -5.761 593 HD22 LEU 77 2HD2 LEU 77 -9.866 -11.509 -6.064 594 HD23 LEU 77 3HD2 LEU 77 -8.711 -11.579 -7.416 595 H ALA 78 H ALA 78 -4.899 -8.813 -7.661 596 HA ALA 78 HA ALA 78 -4.555 -6.441 -9.239 597 HB1 ALA 78 1HB ALA 78 -3.342 -7.744 -6.931 598 HB2 ALA 78 2HB ALA 78 -2.102 -7.191 -8.082 599 HB3 ALA 78 3HB ALA 78 -3.286 -6.035 -7.425 600 H ASP 79 H ASP 79 -5.061 -7.906 -11.257 601 HA ASP 79 HA ASP 79 -2.735 -8.064 -12.704 602 HB2 ASP 79 1HB ASP 79 -2.406 -10.122 -11.218 603 HB3 ASP 79 2HB ASP 79 -3.827 -10.819 -11.969 604 H THR 80 H THR 80 -5.863 -9.853 -12.152 605 HA THR 80 HA THR 80 -6.479 -9.670 -14.994 606 HB THR 80 HB THR 80 -8.178 -11.314 -14.454 607 HG1 THR 80 1HG THR 80 -7.489 -10.762 -11.665 608 HG21 THR 80 1HG2 THR 80 -6.991 -12.986 -12.984 609 HG22 THR 80 2HG2 THR 80 -5.928 -12.338 -14.256 610 HG23 THR 80 3HG2 THR 80 -5.786 -11.738 -12.586 611 H VAL 81 H VAL 81 -7.169 -8.056 -11.958 612 HA VAL 81 HA VAL 81 -9.299 -6.570 -13.335 613 HB VAL 81 HB VAL 81 -8.887 -7.403 -10.483 614 HG11 VAL 81 1HG1 VAL 81 -10.316 -4.940 -11.469 615 HG12 VAL 81 2HG1 VAL 81 -10.890 -5.804 -10.022 616 HG13 VAL 81 3HG1 VAL 81 -9.240 -5.137 -10.065 617 HG21 VAL 81 1HG2 VAL 81 -10.679 -8.070 -12.637 618 HG22 VAL 81 2HG2 VAL 81 -10.532 -8.807 -11.023 619 HG23 VAL 81 3HG2 VAL 81 -11.607 -7.409 -11.269 620 H GLY 82 H GLY 82 -6.303 -6.454 -11.373 621 HA2 GLY 82 1HA GLY 82 -6.266 -3.537 -11.478 622 HA3 GLY 82 2HA GLY 82 -5.159 -4.591 -10.621 623 H HIS 83 H HIS 83 -4.614 -6.426 -12.859 624 HA HIS 83 HA HIS 83 -3.133 -6.656 -14.461 625 HB2 HIS 83 1HB HIS 83 -4.257 -4.029 -15.475 626 HB3 HIS 83 2HB HIS 83 -3.284 -5.147 -16.410 627 HD1 HIS 83 1HD HIS 83 -4.402 -7.598 -16.828 628 HD2 HIS 83 2HD HIS 83 -6.964 -4.569 -15.466 629 HE1 HIS 83 1HE HIS 83 -6.776 -8.401 -17.307 630 H LEU 84 H LEU 84 -2.231 -5.481 -11.990 631 HA LEU 84 HA LEU 84 -0.551 -3.267 -12.549 632 HB2 LEU 84 1HB LEU 84 -0.595 -5.245 -10.266 633 HB3 LEU 84 2HB LEU 84 0.402 -3.804 -10.319 634 HG LEU 84 HG LEU 84 -2.557 -3.501 -10.675 635 HD11 LEU 84 1HD1 LEU 84 -1.738 -3.309 -7.878 636 HD12 LEU 84 2HD1 LEU 84 -3.158 -4.092 -8.611 637 HD13 LEU 84 3HD1 LEU 84 -1.607 -4.961 -8.528 638 HD21 LEU 84 1HD2 LEU 84 -2.228 -1.343 -9.822 639 HD22 LEU 84 2HD2 LEU 84 -0.657 -1.766 -9.100 640 HD23 LEU 84 3HD2 LEU 84 -0.817 -1.632 -10.868 641 H ARG 85 H ARG 85 1.942 -3.927 -11.499 642 HA ARG 85 HA ARG 85 2.896 -6.246 -12.824 643 HB2 ARG 85 1HB ARG 85 3.306 -3.492 -13.987 644 HB3 ARG 85 2HB ARG 85 4.668 -4.593 -14.042 645 HG2 ARG 85 1HG ARG 85 3.752 -5.638 -15.830 646 HG3 ARG 85 2HG ARG 85 2.375 -6.107 -14.851 647 HD2 ARG 85 1HD ARG 85 1.150 -4.100 -15.431 648 HD3 ARG 85 2HD ARG 85 2.574 -3.337 -16.109 649 HE ARG 85 HE ARG 85 2.187 -5.747 -17.548 650 HH11 ARG 85 2HH2 ARG 85 0.489 -2.708 -17.029 651 HH12 ARG 85 1HH2 ARG 85 -0.301 -2.740 -18.570 652 HH21 ARG 85 2HH1 ARG 85 1.145 -5.788 -19.581 653 HH22 ARG 85 1HH1 ARG 85 0.074 -4.504 -20.031 654 HA PRO 86 HA PRO 86 5.811 -5.617 -9.634 655 HB2 PRO 86 1HB PRO 86 7.669 -7.515 -10.278 656 HB3 PRO 86 2HB PRO 86 6.182 -7.880 -9.426 657 HG2 PRO 86 1HG PRO 86 6.877 -8.409 -12.250 658 HG3 PRO 86 2HG PRO 86 5.605 -9.125 -11.281 659 HD2 PRO 86 1HD PRO 86 5.299 -7.099 -13.288 660 HD3 PRO 86 2HD PRO 86 4.047 -7.732 -12.239 661 H GLY 87 H GLY 87 6.451 -3.489 -9.936 662 HA2 GLY 87 1HA GLY 87 9.043 -2.924 -10.225 663 HA3 GLY 87 2HA GLY 87 8.543 -3.035 -11.901 664 H ASP 88 H ASP 88 5.701 -2.132 -11.115 665 HA ASP 88 HA ASP 88 6.106 0.556 -11.665 666 HB2 ASP 88 1HB ASP 88 3.848 -1.261 -11.097 667 HB3 ASP 88 2HB ASP 88 3.552 0.361 -10.502 668 H GLU 89 H GLU 89 5.057 2.354 -10.154 669 HA GLU 89 HA GLU 89 5.872 1.755 -7.416 670 HB2 GLU 89 1HB GLU 89 7.401 3.365 -8.390 671 HB3 GLU 89 2HB GLU 89 6.083 4.333 -9.021 672 HG2 GLU 89 1HG GLU 89 5.322 4.803 -6.671 673 HG3 GLU 89 2HG GLU 89 6.670 3.865 -6.059 674 H VAL 90 H VAL 90 4.049 1.431 -6.204 675 HA VAL 90 HA VAL 90 1.557 2.562 -6.953 676 HB VAL 90 HB VAL 90 2.419 1.221 -4.383 677 HG11 VAL 90 1HG1 VAL 90 0.232 1.093 -3.754 678 HG12 VAL 90 2HG1 VAL 90 0.128 2.581 -4.725 679 HG13 VAL 90 3HG1 VAL 90 -0.365 1.022 -5.430 680 HG21 VAL 90 1HG2 VAL 90 1.537 -0.852 -5.388 681 HG22 VAL 90 2HG2 VAL 90 1.256 0.015 -6.917 682 HG23 VAL 90 3HG2 VAL 90 2.915 -0.201 -6.308 683 H LEU 91 H LEU 91 1.125 4.701 -6.783 684 HA LEU 91 HA LEU 91 2.569 6.329 -4.943 685 HB2 LEU 91 1HB LEU 91 0.244 6.879 -6.789 686 HB3 LEU 91 2HB LEU 91 1.034 8.103 -5.815 687 HG LEU 91 HG LEU 91 2.323 6.463 -8.013 688 HD11 LEU 91 1HD1 LEU 91 1.426 7.981 -9.368 689 HD12 LEU 91 2HD1 LEU 91 0.861 8.975 -8.004 690 HD13 LEU 91 3HD1 LEU 91 2.518 9.173 -8.624 691 HD21 LEU 91 1HD2 LEU 91 4.171 8.275 -7.625 692 HD22 LEU 91 2HD2 LEU 91 3.467 8.360 -5.992 693 HD23 LEU 91 3HD2 LEU 91 4.109 6.817 -6.604 694 H GLU 92 H GLU 92 -0.932 5.404 -5.281 695 HA GLU 92 HA GLU 92 -1.072 5.680 -2.385 696 HB2 GLU 92 1HB GLU 92 -3.217 6.586 -4.357 697 HB3 GLU 92 2HB GLU 92 -3.341 6.660 -2.611 698 HG2 GLU 92 1HG GLU 92 -1.970 8.504 -2.452 699 HG3 GLU 92 2HG GLU 92 -0.890 7.943 -3.713 700 H TRP 93 H TRP 93 -2.932 4.412 -1.412 701 HA TRP 93 HA TRP 93 -3.780 2.209 -3.146 702 HB2 TRP 93 1HB TRP 93 -1.859 1.351 -2.005 703 HB3 TRP 93 2HB TRP 93 -2.425 1.955 -0.460 704 HD1 TRP 93 HD TRP 93 -5.012 0.748 0.245 705 HE1 TRP 93 1HE TRP 93 -5.709 -1.797 0.183 706 HE3 TRP 93 3HE TRP 93 -1.429 -0.696 -3.062 707 HZ2 TRP 93 2HZ TRP 93 -4.706 -4.076 -1.211 708 HZ3 TRP 93 3HZ TRP 93 -1.357 -3.099 -3.721 709 HH2 TRP 93 HH TRP 93 -2.920 -4.765 -2.852 710 H ASN 94 H ASN 94 -5.921 2.949 -3.257 711 HA ASN 94 HA ASN 94 -7.991 3.061 -2.582 712 HB2 ASN 94 1HB ASN 94 -6.858 1.541 -0.489 713 HB3 ASN 94 2HB ASN 94 -7.666 2.849 0.353 714 HD21 ASN 94 1HD2 ASN 94 -8.267 -0.018 0.178 715 HD22 ASN 94 2HD2 ASN 94 -9.898 -0.163 -0.386 716 H GLY 95 H GLY 95 -5.766 5.222 -2.339 717 HA2 GLY 95 1HA GLY 95 -6.302 7.523 -2.152 718 HA3 GLY 95 2HA GLY 95 -7.381 7.164 -0.818 719 H ARG 96 H ARG 96 -4.926 5.109 -0.141 720 HA ARG 96 HA ARG 96 -3.776 7.013 1.672 721 HB2 ARG 96 1HB ARG 96 -3.817 3.999 1.425 722 HB3 ARG 96 2HB ARG 96 -2.523 4.727 2.356 723 HG2 ARG 96 1HG ARG 96 -5.349 5.651 2.885 724 HG3 ARG 96 2HG ARG 96 -4.869 4.078 3.489 725 HD2 ARG 96 1HD ARG 96 -3.095 5.016 4.834 726 HD3 ARG 96 2HD ARG 96 -3.177 6.559 4.007 727 HE ARG 96 HE ARG 96 -4.897 5.663 6.185 728 HH11 ARG 96 2HH2 ARG 96 -4.734 7.780 3.379 729 HH12 ARG 96 1HH2 ARG 96 -5.947 8.867 3.968 730 HH21 ARG 96 2HH1 ARG 96 -6.497 7.097 6.964 731 HH22 ARG 96 1HH1 ARG 96 -6.957 8.476 6.021 732 H LEU 97 H LEU 97 -1.978 8.155 1.020 733 HA LEU 97 HA LEU 97 -0.461 7.358 -1.225 734 HB2 LEU 97 1HB LEU 97 -0.820 9.677 -0.654 735 HB3 LEU 97 2HB LEU 97 -0.017 9.468 0.889 736 HG LEU 97 HG LEU 97 1.831 8.632 -1.096 737 HD11 LEU 97 1HD1 LEU 97 0.402 9.855 -2.715 738 HD12 LEU 97 2HD1 LEU 97 0.652 11.341 -1.767 739 HD13 LEU 97 3HD1 LEU 97 2.036 10.542 -2.551 740 HD21 LEU 97 1HD2 LEU 97 1.761 11.208 0.499 741 HD22 LEU 97 2HD2 LEU 97 2.319 9.634 1.114 742 HD23 LEU 97 3HD2 LEU 97 3.190 10.427 -0.220 743 H LEU 98 H LEU 98 1.421 6.200 -1.397 744 HA LEU 98 HA LEU 98 2.331 4.955 1.079 745 HB2 LEU 98 1HB LEU 98 3.033 4.228 -1.764 746 HB3 LEU 98 2HB LEU 98 3.320 3.283 -0.316 747 HG LEU 98 HG LEU 98 0.664 3.873 -1.636 748 HD11 LEU 98 1HD1 LEU 98 2.366 1.414 -1.289 749 HD12 LEU 98 2HD1 LEU 98 0.612 1.294 -1.567 750 HD13 LEU 98 3HD1 LEU 98 1.651 2.095 -2.770 751 HD21 LEU 98 1HD2 LEU 98 1.231 3.276 1.162 752 HD22 LEU 98 2HD2 LEU 98 -0.280 3.799 0.380 753 HD23 LEU 98 3HD2 LEU 98 0.156 2.074 0.408 754 H GLN 99 H GLN 99 3.189 7.342 -1.346 755 HA GLN 99 HA GLN 99 5.925 7.229 -1.167 756 HB2 GLN 99 1HB GLN 99 3.898 9.303 -1.906 757 HB3 GLN 99 2HB GLN 99 5.510 9.893 -1.554 758 HG2 GLN 99 1HG GLN 99 6.367 8.038 -3.163 759 HG3 GLN 99 2HG GLN 99 4.698 7.855 -3.666 760 HE21 GLN 99 1HE2 GLN 99 6.799 8.634 -5.340 761 HE22 GLN 99 2HE2 GLN 99 6.527 10.249 -5.905 762 H GLY 100 H GLY 100 7.208 7.357 0.620 763 HA2 GLY 100 1HA GLY 100 8.147 8.604 2.355 764 HA3 GLY 100 2HA GLY 100 6.634 9.458 2.583 765 H ALA 101 H ALA 101 4.972 6.953 2.438 766 HA ALA 101 HA ALA 101 4.817 6.392 5.132 767 HB1 ALA 101 1HB ALA 101 3.376 4.514 4.407 768 HB2 ALA 101 2HB ALA 101 3.020 6.000 3.493 769 HB3 ALA 101 3HB ALA 101 3.978 4.701 2.742 770 H THR 102 H THR 102 5.623 4.755 6.482 771 HA THR 102 HA THR 102 8.159 3.698 5.695 772 HB THR 102 HB THR 102 8.293 3.087 8.011 773 HG1 THR 102 1HG THR 102 6.471 2.090 8.770 774 HG21 THR 102 1HG2 THR 102 6.145 5.145 8.432 775 HG22 THR 102 2HG2 THR 102 7.785 5.068 9.120 776 HG23 THR 102 3HG2 THR 102 7.543 5.657 7.458 777 H PHE 103 H PHE 103 8.603 1.265 6.326 778 HA PHE 103 HA PHE 103 7.343 -0.247 4.371 779 HB2 PHE 103 1HB PHE 103 9.579 -0.747 5.301 780 HB3 PHE 103 2HB PHE 103 8.931 -0.868 6.925 781 HD1 PHE 103 1HD PHE 103 9.244 -2.565 3.690 782 HD2 PHE 103 2HD PHE 103 7.825 -2.879 7.677 783 HE1 PHE 103 1HE PHE 103 8.972 -5.043 3.398 784 HE2 PHE 103 2HE PHE 103 7.553 -5.357 7.385 785 HZ PHE 103 HZ PHE 103 8.129 -6.410 5.249 786 H GLU 104 H GLU 104 6.650 0.195 7.858 787 HA GLU 104 HA GLU 104 4.824 -1.971 7.915 788 HB2 GLU 104 1HB GLU 104 5.546 0.270 9.827 789 HB3 GLU 104 2HB GLU 104 4.184 -0.780 10.166 790 HG2 GLU 104 1HG GLU 104 5.570 -2.741 10.262 791 HG3 GLU 104 2HG GLU 104 6.914 -1.933 9.479 792 H GLU 105 H GLU 105 4.619 1.621 7.639 793 HA GLU 105 HA GLU 105 1.912 1.870 7.881 794 HB2 GLU 105 1HB GLU 105 4.061 3.437 6.464 795 HB3 GLU 105 2HB GLU 105 2.390 3.879 6.175 796 HG2 GLU 105 1HG GLU 105 2.129 3.871 8.775 797 HG3 GLU 105 2HG GLU 105 3.881 3.852 8.827 798 H VAL 106 H VAL 106 3.821 1.610 4.788 799 HA VAL 106 HA VAL 106 1.740 1.524 3.040 800 HB VAL 106 HB VAL 106 4.375 0.045 3.014 801 HG11 VAL 106 1HG1 VAL 106 4.008 -0.719 0.918 802 HG12 VAL 106 2HG1 VAL 106 2.293 -0.574 1.372 803 HG13 VAL 106 3HG1 VAL 106 3.080 0.722 0.440 804 HG21 VAL 106 1HG2 VAL 106 3.479 2.796 2.230 805 HG22 VAL 106 2HG2 VAL 106 4.979 2.265 3.029 806 HG23 VAL 106 3HG2 VAL 106 4.764 2.009 1.280 807 H TYR 107 H TYR 107 3.154 -1.198 4.954 808 HA TYR 107 HA TYR 107 1.514 -3.182 3.841 809 HB2 TYR 107 1HB TYR 107 3.659 -3.424 5.210 810 HB3 TYR 107 2HB TYR 107 2.808 -2.817 6.616 811 HD1 TYR 107 2HD TYR 107 0.599 -4.189 7.248 812 HD2 TYR 107 1HD TYR 107 3.866 -5.724 4.952 813 HE1 TYR 107 2HE TYR 107 -0.084 -6.563 7.850 814 HE2 TYR 107 1HE TYR 107 3.173 -8.093 5.562 815 HH TYR 107 HH TYR 107 0.426 -8.995 6.440 816 H ASN 108 H ASN 108 1.239 -1.293 6.934 817 HA ASN 108 HA ASN 108 -0.981 -2.451 7.911 818 HB2 ASN 108 1HB ASN 108 0.110 0.371 7.992 819 HB3 ASN 108 2HB ASN 108 -1.486 0.099 8.663 820 HD21 ASN 108 1HD2 ASN 108 0.112 0.942 10.450 821 HD22 ASN 108 2HD2 ASN 108 0.752 -0.277 11.500 822 H ILE 109 H ILE 109 -0.707 0.274 5.525 823 HA ILE 109 HA ILE 109 -3.329 0.951 5.248 824 HB ILE 109 HB ILE 109 -1.090 0.825 3.236 825 HG12 ILE 109 1HG1 ILE 109 -2.297 3.195 4.686 826 HG13 ILE 109 2HG1 ILE 109 -0.891 2.320 5.257 827 HG21 ILE 109 1HG2 ILE 109 -3.194 0.720 2.011 828 HG22 ILE 109 2HG2 ILE 109 -3.809 2.126 2.915 829 HG23 ILE 109 3HG2 ILE 109 -2.424 2.313 1.813 830 HD11 ILE 109 1HD1 ILE 109 -0.655 3.029 2.408 831 HD12 ILE 109 2HD1 ILE 109 -0.868 4.454 3.453 832 HD13 ILE 109 3HD1 ILE 109 0.478 3.328 3.748 833 H ILE 110 H ILE 110 -1.609 -1.415 3.083 834 HA ILE 110 HA ILE 110 -3.870 -2.356 1.841 835 HB ILE 110 HB ILE 110 -1.185 -3.574 2.424 836 HG12 ILE 110 1HG1 ILE 110 -2.025 -3.100 -0.347 837 HG13 ILE 110 2HG1 ILE 110 -2.020 -1.642 0.625 838 HG21 ILE 110 1HG2 ILE 110 -1.712 -5.387 0.873 839 HG22 ILE 110 2HG2 ILE 110 -2.780 -5.425 2.297 840 HG23 ILE 110 3HG2 ILE 110 -3.389 -4.803 0.744 841 HD11 ILE 110 1HD1 ILE 110 0.320 -3.596 0.573 842 HD12 ILE 110 2HD1 ILE 110 0.196 -2.189 -0.509 843 HD13 ILE 110 3HD1 ILE 110 0.299 -1.950 1.252 844 H LEU 111 H LEU 111 -2.657 -2.946 5.101 845 HA LEU 111 HA LEU 111 -4.244 -5.298 5.484 846 HB2 LEU 111 1HB LEU 111 -2.376 -5.351 6.784 847 HB3 LEU 111 2HB LEU 111 -2.385 -3.626 7.090 848 HG LEU 111 HG LEU 111 -4.526 -4.147 8.509 849 HD11 LEU 111 1HD1 LEU 111 -5.096 -6.326 8.273 850 HD12 LEU 111 2HD1 LEU 111 -3.427 -6.849 7.943 851 HD13 LEU 111 3HD1 LEU 111 -3.942 -6.518 9.614 852 HD21 LEU 111 1HD2 LEU 111 -2.639 -5.078 10.302 853 HD22 LEU 111 2HD2 LEU 111 -1.667 -4.189 9.105 854 HD23 LEU 111 3HD2 LEU 111 -3.008 -3.374 9.946 855 H GLU 112 H GLU 112 -4.645 -1.801 5.743 856 HA GLU 112 HA GLU 112 -6.942 -2.051 7.416 857 HB2 GLU 112 1HB GLU 112 -5.483 0.225 6.069 858 HB3 GLU 112 2HB GLU 112 -7.109 0.497 6.662 859 HG2 GLU 112 1HG GLU 112 -5.677 -0.924 8.716 860 HG3 GLU 112 2HG GLU 112 -4.642 0.379 8.168 861 H SER 113 H SER 113 -6.247 -2.454 4.082 862 HA SER 113 HA SER 113 -8.915 -1.645 3.303 863 HB2 SER 113 1HB SER 113 -6.788 -2.771 1.454 864 HB3 SER 113 2HB SER 113 -8.144 -1.741 1.042 865 HG SER 113 HG SER 113 -5.609 -1.060 2.041 866 H LYS 114 H LYS 114 -7.884 -4.165 4.930 867 HA LYS 114 HA LYS 114 -8.396 -6.392 3.288 868 HB2 LYS 114 1HB LYS 114 -7.552 -5.869 5.959 869 HB3 LYS 114 2HB LYS 114 -8.922 -6.956 6.052 870 HG2 LYS 114 1HG LYS 114 -7.816 -8.680 4.979 871 HG3 LYS 114 2HG LYS 114 -6.936 -7.602 3.914 872 HD2 LYS 114 1HD LYS 114 -5.114 -7.861 5.235 873 HD3 LYS 114 2HD LYS 114 -5.959 -7.002 6.507 874 HE2 LYS 114 1HE LYS 114 -5.928 -8.909 7.735 875 HE3 LYS 114 2HE LYS 114 -7.046 -9.615 6.585 876 HZ1 LYS 114 1HZ LYS 114 -4.788 -9.918 5.282 877 HZ2 LYS 114 2HZ LYS 114 -4.199 -9.972 6.804 878 HZ3 LYS 114 3HZ LYS 114 -5.350 -11.032 6.336 879 HA PRO 115 HA PRO 115 -12.747 -6.077 5.100 880 HB2 PRO 115 1HB PRO 115 -13.488 -3.878 6.542 881 HB3 PRO 115 2HB PRO 115 -12.929 -5.365 7.282 882 HG2 PRO 115 1HG PRO 115 -11.494 -2.801 6.963 883 HG3 PRO 115 2HG PRO 115 -11.136 -4.132 8.045 884 HD2 PRO 115 1HD PRO 115 -9.771 -3.489 5.606 885 HD3 PRO 115 2HD PRO 115 -9.490 -4.885 6.628 886 H GLU 116 H GLU 116 -11.335 -3.090 4.030 887 HA GLU 116 HA GLU 116 -13.431 -1.793 3.033 888 HB2 GLU 116 1HB GLU 116 -10.663 -2.222 1.859 889 HB3 GLU 116 2HB GLU 116 -11.815 -1.150 1.089 890 HG2 GLU 116 1HG GLU 116 -12.071 -0.002 3.399 891 HG3 GLU 116 2HG GLU 116 -10.662 -0.917 3.899 892 HA PRO 117 HA PRO 117 -15.214 -4.285 -0.042 893 HB2 PRO 117 1HB PRO 117 -16.624 -2.425 -1.463 894 HB3 PRO 117 2HB PRO 117 -17.191 -3.108 0.048 895 HG2 PRO 117 1HG PRO 117 -16.057 -0.427 -0.463 896 HG3 PRO 117 2HG PRO 117 -17.004 -0.976 0.906 897 HD2 PRO 117 1HD PRO 117 -14.168 -0.552 0.841 898 HD3 PRO 117 2HD PRO 117 -15.099 -1.211 2.171 899 H GLN 118 H GLN 118 -13.566 -1.406 -1.165 900 HA GLN 118 HA GLN 118 -12.613 -3.062 -3.361 901 HB2 GLN 118 1HB GLN 118 -13.187 -1.540 -4.985 902 HB3 GLN 118 2HB GLN 118 -14.447 -1.144 -3.834 903 HG2 GLN 118 1HG GLN 118 -12.555 0.498 -2.851 904 HG3 GLN 118 2HG GLN 118 -11.919 0.371 -4.479 905 HE21 GLN 118 1HE2 GLN 118 -13.870 0.359 -6.165 906 HE22 GLN 118 2HE2 GLN 118 -14.931 1.722 -6.036 907 H VAL 119 H VAL 119 -10.734 -1.476 -4.524 908 HA VAL 119 HA VAL 119 -9.204 -0.099 -2.515 909 HB VAL 119 HB VAL 119 -8.108 -1.913 -1.843 910 HG11 VAL 119 1HG1 VAL 119 -9.543 -3.191 -4.104 911 HG12 VAL 119 2HG1 VAL 119 -8.057 -4.006 -3.563 912 HG13 VAL 119 3HG1 VAL 119 -9.377 -3.704 -2.408 913 HG21 VAL 119 1HG2 VAL 119 -6.911 -2.013 -4.627 914 HG22 VAL 119 2HG2 VAL 119 -6.491 -0.781 -3.412 915 HG23 VAL 119 3HG2 VAL 119 -6.152 -2.499 -3.092 916 H GLU 120 H GLU 120 -8.892 1.748 -3.665 917 HA GLU 120 HA GLU 120 -8.407 1.486 -6.497 918 HB2 GLU 120 1HB GLU 120 -10.049 3.163 -5.722 919 HB3 GLU 120 2HB GLU 120 -8.828 3.940 -4.734 920 HG2 GLU 120 1HG GLU 120 -7.482 4.117 -7.018 921 HG3 GLU 120 2HG GLU 120 -9.052 3.870 -7.755 922 H LEU 121 H LEU 121 -6.301 0.960 -6.980 923 HA LEU 121 HA LEU 121 -4.192 2.138 -5.361 924 HB2 LEU 121 1HB LEU 121 -3.957 0.134 -7.604 925 HB3 LEU 121 2HB LEU 121 -2.743 0.551 -6.410 926 HG LEU 121 HG LEU 121 -5.320 -0.969 -5.961 927 HD11 LEU 121 1HD1 LEU 121 -3.789 -2.757 -5.201 928 HD12 LEU 121 2HD1 LEU 121 -3.549 -2.313 -6.908 929 HD13 LEU 121 3HD1 LEU 121 -2.405 -1.742 -5.670 930 HD21 LEU 121 1HD2 LEU 121 -5.113 0.469 -4.066 931 HD22 LEU 121 2HD2 LEU 121 -4.564 -1.153 -3.577 932 HD23 LEU 121 3HD2 LEU 121 -3.373 0.125 -3.918 933 H VAL 122 H VAL 122 -2.217 2.994 -6.587 934 HA VAL 122 HA VAL 122 -2.888 4.171 -9.149 935 HB VAL 122 HB VAL 122 -1.939 5.957 -6.923 936 HG11 VAL 122 1HG1 VAL 122 -1.612 6.717 -9.239 937 HG12 VAL 122 2HG1 VAL 122 -3.353 6.516 -9.553 938 HG13 VAL 122 3HG1 VAL 122 -2.795 7.733 -8.380 939 HG21 VAL 122 1HG2 VAL 122 -4.109 4.945 -6.242 940 HG22 VAL 122 2HG2 VAL 122 -4.210 6.700 -6.521 941 HG23 VAL 122 3HG2 VAL 122 -4.837 5.568 -7.742 942 H VAL 123 H VAL 123 -1.099 4.291 -10.461 943 HA VAL 123 HA VAL 123 1.502 3.999 -9.143 944 HB VAL 123 HB VAL 123 1.930 2.573 -11.353 945 HG11 VAL 123 1HG1 VAL 123 1.618 0.537 -9.986 946 HG12 VAL 123 2HG1 VAL 123 2.425 1.839 -9.079 947 HG13 VAL 123 3HG1 VAL 123 0.703 1.491 -8.794 948 HG21 VAL 123 1HG2 VAL 123 -1.008 2.134 -10.732 949 HG22 VAL 123 2HG2 VAL 123 -0.297 2.700 -12.262 950 HG23 VAL 123 3HG2 VAL 123 -0.012 1.031 -11.712 951 H SER 124 H SER 124 3.304 4.860 -10.403 952 HA SER 124 HA SER 124 2.509 6.431 -12.691 953 HB2 SER 124 1HB SER 124 2.273 8.178 -11.160 954 HB3 SER 124 2HB SER 124 3.483 7.535 -10.067 955 HG SER 124 HG SER 124 4.341 8.373 -12.659 956 H ARG 125 H ARG 125 3.916 5.729 -14.255 957 HA ARG 125 HA ARG 125 6.590 5.039 -13.359 958 HB2 ARG 125 1HB ARG 125 6.753 3.642 -15.359 959 HB3 ARG 125 2HB ARG 125 5.234 3.276 -14.565 960 HG2 ARG 125 1HG ARG 125 4.823 5.485 -16.406 961 HG3 ARG 125 2HG ARG 125 5.637 4.185 -17.254 962 HD2 ARG 125 1HD ARG 125 2.967 4.082 -15.797 963 HD3 ARG 125 2HD ARG 125 3.289 3.729 -17.483 964 HE ARG 125 HE ARG 125 3.715 1.926 -15.203 965 HH11 ARG 125 2HH2 ARG 125 4.528 2.601 -18.559 966 HH12 ARG 125 1HH2 ARG 125 4.990 0.969 -18.909 967 HH21 ARG 125 2HH1 ARG 125 4.325 -0.227 -15.664 968 HH22 ARG 125 1HH1 ARG 125 4.873 -0.651 -17.251 969 H SER 126 H SER 126 8.395 5.542 -15.025 970 HA SER 126 HA SER 126 7.885 8.214 -16.032 971 HB2 SER 126 1HB SER 126 10.237 8.602 -15.867 972 HB3 SER 126 2HB SER 126 9.803 7.726 -14.413 973 HG SER 126 HG SER 126 11.369 6.902 -16.625 974 H GLY 127 H GLY 127 7.384 8.351 -18.187 975 HA2 GLY 127 1HA GLY 127 7.916 6.172 -19.975 976 HA3 GLY 127 2HA GLY 127 7.155 7.706 -20.348 977 HA PRO 128 HA PRO 128 11.291 7.865 -22.188 978 HB2 PRO 128 1HB PRO 128 10.530 8.557 -24.720 979 HB3 PRO 128 2HB PRO 128 10.809 6.900 -24.222 980 HG2 PRO 128 1HG PRO 128 8.241 8.284 -24.698 981 HG3 PRO 128 2HG PRO 128 8.563 6.564 -24.621 982 HD2 PRO 128 1HD PRO 128 7.346 8.174 -22.583 983 HD3 PRO 128 2HD PRO 128 7.773 6.479 -22.463 984 H SER 129 H SER 129 12.430 9.552 -21.496 985 HA SER 129 HA SER 129 11.171 12.114 -22.099 986 HB2 SER 129 1HB SER 129 13.142 11.585 -19.839 987 HB3 SER 129 2HB SER 129 12.169 13.022 -20.083 988 HG SER 129 HG SER 129 11.170 11.736 -18.484 989 H SER 130 H SER 130 12.210 12.895 -23.914 990 HA SER 130 HA SER 130 13.787 13.570 -25.243 991 HB2 SER 130 1HB SER 130 14.667 14.311 -22.702 992 HB3 SER 130 2HB SER 130 16.070 13.498 -23.364 993 HG SER 130 HG SER 130 16.425 15.403 -24.295 994 H GLY 131 H GLY 131 13.875 11.689 -26.569 995 HA2 GLY 131 1HA GLY 131 15.277 10.226 -27.680 996 HA3 GLY 131 2HA GLY 131 16.330 10.137 -26.282 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -22.799 22.502 10.417 2 HA2 GLY 1 1HA GLY 1 -23.539 20.756 12.621 3 HA3 GLY 1 2HA GLY 1 -24.853 21.259 11.577 4 H SER 2 H SER 2 -25.325 19.453 10.358 5 HA SER 2 HA SER 2 -25.115 17.918 8.839 6 HB2 SER 2 1HB SER 2 -22.881 19.750 8.146 7 HB3 SER 2 2HB SER 2 -22.693 18.125 7.517 8 HG SER 2 HG SER 2 -24.999 18.392 6.723 9 H SER 3 H SER 3 -23.698 15.920 8.148 10 HA SER 3 HA SER 3 -21.607 15.316 10.000 11 HB2 SER 3 1HB SER 3 -24.243 14.567 10.684 12 HB3 SER 3 2HB SER 3 -23.529 13.101 10.041 13 HG SER 3 HG SER 3 -23.038 13.141 12.241 14 H GLY 4 H GLY 4 -20.064 14.258 8.805 15 HA2 GLY 4 1HA GLY 4 -19.386 12.438 7.480 16 HA3 GLY 4 2HA GLY 4 -20.957 12.404 6.705 17 H SER 5 H SER 5 -21.568 14.448 5.393 18 HA SER 5 HA SER 5 -21.165 15.851 3.786 19 HB2 SER 5 1HB SER 5 -18.853 16.292 5.570 20 HB3 SER 5 2HB SER 5 -18.508 16.716 3.906 21 HG SER 5 HG SER 5 -19.534 18.398 5.410 22 H SER 6 H SER 6 -20.800 15.416 1.619 23 HA SER 6 HA SER 6 -18.399 14.086 0.853 24 HB2 SER 6 1HB SER 6 -21.100 12.700 0.634 25 HB3 SER 6 2HB SER 6 -19.736 12.250 -0.370 26 HG SER 6 HG SER 6 -20.169 11.823 2.393 27 H GLY 7 H GLY 7 -18.031 14.257 -1.467 28 HA2 GLY 7 1HA GLY 7 -20.021 15.209 -3.252 29 HA3 GLY 7 2HA GLY 7 -19.034 16.538 -2.679 30 H HIS 8 H HIS 8 -19.277 13.975 -4.943 31 HA HIS 8 HA HIS 8 -16.633 14.611 -5.912 32 HB2 HIS 8 1HB HIS 8 -17.124 12.229 -4.428 33 HB3 HIS 8 2HB HIS 8 -16.922 11.761 -6.105 34 HD1 HIS 8 1HD HIS 8 -14.970 12.135 -3.189 35 HD2 HIS 8 2HD HIS 8 -14.425 13.292 -7.184 36 HE1 HIS 8 1HE HIS 8 -12.463 12.496 -3.493 37 H SER 9 H SER 9 -16.336 13.291 -8.126 38 HA SER 9 HA SER 9 -18.817 13.784 -9.528 39 HB2 SER 9 1HB SER 9 -16.504 14.767 -10.196 40 HB3 SER 9 2HB SER 9 -16.120 13.161 -10.783 41 HG SER 9 HG SER 9 -17.616 13.326 -12.397 42 H HIS 10 H HIS 10 -19.413 12.214 -11.345 43 HA HIS 10 HA HIS 10 -19.426 9.585 -10.274 44 HB2 HIS 10 1HB HIS 10 -20.740 11.070 -12.452 45 HB3 HIS 10 2HB HIS 10 -20.445 9.384 -12.824 46 HD1 HIS 10 1HD HIS 10 -21.983 11.422 -9.956 47 HD2 HIS 10 2HD HIS 10 -22.392 7.717 -11.880 48 HE1 HIS 10 1HE HIS 10 -24.008 10.286 -8.897 49 H SER 11 H SER 11 -18.628 7.636 -11.364 50 HA SER 11 HA SER 11 -16.948 7.817 -13.572 51 HB2 SER 11 1HB SER 11 -15.700 8.431 -11.011 52 HB3 SER 11 2HB SER 11 -15.003 6.968 -11.676 53 HG SER 11 HG SER 11 -15.317 9.411 -13.197 54 H ASP 12 H ASP 12 -18.553 6.050 -13.912 55 HA ASP 12 HA ASP 12 -17.739 3.643 -12.479 56 HB2 ASP 12 1HB ASP 12 -20.038 2.776 -12.977 57 HB3 ASP 12 2HB ASP 12 -20.058 4.200 -11.955 58 H LYS 13 H LYS 13 -16.043 3.447 -14.229 59 HA LYS 13 HA LYS 13 -17.213 2.265 -16.631 60 HB2 LYS 13 1HB LYS 13 -15.114 4.444 -16.561 61 HB3 LYS 13 2HB LYS 13 -15.346 3.396 -17.945 62 HG2 LYS 13 1HG LYS 13 -17.931 4.394 -17.057 63 HG3 LYS 13 2HG LYS 13 -16.832 5.743 -17.260 64 HD2 LYS 13 1HD LYS 13 -16.604 3.788 -19.458 65 HD3 LYS 13 2HD LYS 13 -18.230 4.423 -19.308 66 HE2 LYS 13 1HE LYS 13 -17.186 5.991 -20.738 67 HE3 LYS 13 2HE LYS 13 -17.101 6.777 -19.174 68 HZ1 LYS 13 1HZ LYS 13 -14.877 5.123 -19.495 69 HZ2 LYS 13 2HZ LYS 13 -15.004 6.083 -20.810 70 HZ3 LYS 13 3HZ LYS 13 -14.921 6.746 -19.320 71 H HIS 14 H HIS 14 -13.801 2.813 -16.654 72 HA HIS 14 HA HIS 14 -13.410 -0.007 -16.144 73 HB2 HIS 14 1HB HIS 14 -11.347 2.023 -17.019 74 HB3 HIS 14 2HB HIS 14 -11.263 0.279 -17.157 75 HD1 HIS 14 1HD HIS 14 -12.536 -0.850 -19.123 76 HD2 HIS 14 2HD HIS 14 -12.969 3.320 -18.968 77 HE1 HIS 14 1HE HIS 14 -13.574 -0.156 -21.348 78 HA PRO 15 HA PRO 15 -11.833 0.658 -12.168 79 HB2 PRO 15 1HB PRO 15 -10.452 -1.668 -11.780 80 HB3 PRO 15 2HB PRO 15 -12.189 -1.541 -11.586 81 HG2 PRO 15 1HG PRO 15 -10.656 -2.769 -13.795 82 HG3 PRO 15 2HG PRO 15 -12.340 -2.997 -13.369 83 HD2 PRO 15 1HD PRO 15 -11.316 -1.408 -15.526 84 HD3 PRO 15 2HD PRO 15 -12.991 -1.545 -15.028 85 H VAL 16 H VAL 16 -9.544 -0.343 -14.618 86 HA VAL 16 HA VAL 16 -7.482 1.099 -13.118 87 HB VAL 16 HB VAL 16 -5.897 -0.176 -14.272 88 HG11 VAL 16 1HG1 VAL 16 -7.975 -1.435 -12.841 89 HG12 VAL 16 2HG1 VAL 16 -7.624 -2.495 -14.227 90 HG13 VAL 16 3HG1 VAL 16 -6.320 -2.032 -13.108 91 HG21 VAL 16 1HG2 VAL 16 -6.400 -1.627 -16.197 92 HG22 VAL 16 2HG2 VAL 16 -8.093 -1.077 -16.167 93 HG23 VAL 16 3HG2 VAL 16 -6.789 0.077 -16.538 94 H THR 17 H THR 17 -6.306 2.804 -14.085 95 HA THR 17 HA THR 17 -7.109 3.620 -16.763 96 HB THR 17 HB THR 17 -7.302 6.024 -15.476 97 HG1 THR 17 1HG THR 17 -8.119 3.806 -13.738 98 HG21 THR 17 1HG2 THR 17 -9.665 5.863 -15.688 99 HG22 THR 17 2HG2 THR 17 -9.094 4.670 -16.879 100 HG23 THR 17 3HG2 THR 17 -9.672 4.129 -15.285 101 H TRP 18 H TRP 18 -5.354 4.100 -17.914 102 HA TRP 18 HA TRP 18 -2.971 4.897 -16.386 103 HB2 TRP 18 1HB TRP 18 -3.247 3.334 -18.954 104 HB3 TRP 18 2HB TRP 18 -1.731 4.016 -18.400 105 HD1 TRP 18 HD TRP 18 -4.096 1.101 -17.714 106 HE1 TRP 18 1HE TRP 18 -3.065 -0.614 -15.993 107 HE3 TRP 18 3HE TRP 18 -0.148 4.012 -16.373 108 HZ2 TRP 18 2HZ TRP 18 -0.766 -0.562 -14.303 109 HZ3 TRP 18 3HZ TRP 18 1.443 3.105 -14.682 110 HH2 TRP 18 HH TRP 18 1.183 0.902 -13.657 111 H GLN 19 H GLN 19 -2.765 7.098 -16.508 112 HA GLN 19 HA GLN 19 -3.065 8.247 -19.158 113 HB2 GLN 19 1HB GLN 19 -3.997 9.847 -16.778 114 HB3 GLN 19 2HB GLN 19 -4.467 9.992 -18.460 115 HG2 GLN 19 1HG GLN 19 -6.362 8.919 -17.683 116 HG3 GLN 19 2HG GLN 19 -5.402 7.497 -18.040 117 HE21 GLN 19 1HE2 GLN 19 -7.183 9.107 -15.743 118 HE22 GLN 19 2HE2 GLN 19 -6.673 8.286 -14.306 119 HA PRO 20 HA PRO 20 0.672 10.172 -18.077 120 HB2 PRO 20 1HB PRO 20 0.740 12.261 -19.839 121 HB3 PRO 20 2HB PRO 20 1.169 10.620 -20.280 122 HG2 PRO 20 1HG PRO 20 -1.290 12.129 -20.923 123 HG3 PRO 20 2HG PRO 20 -0.658 10.684 -21.686 124 HD2 PRO 20 1HD PRO 20 -2.838 10.829 -19.828 125 HD3 PRO 20 2HD PRO 20 -2.130 9.375 -20.502 126 H SER 21 H SER 21 1.765 11.930 -17.025 127 HA SER 21 HA SER 21 -0.004 13.144 -15.225 128 HB2 SER 21 1HB SER 21 1.991 14.197 -14.293 129 HB3 SER 21 2HB SER 21 2.360 12.532 -14.696 130 HG SER 21 HG SER 21 3.213 13.418 -16.797 131 H LYS 22 H LYS 22 0.887 15.787 -14.894 132 HA LYS 22 HA LYS 22 -0.660 17.149 -16.749 133 HB2 LYS 22 1HB LYS 22 0.909 17.739 -14.402 134 HB3 LYS 22 2HB LYS 22 1.201 18.963 -15.621 135 HG2 LYS 22 1HG LYS 22 -0.737 19.896 -14.840 136 HG3 LYS 22 2HG LYS 22 -1.526 18.699 -15.848 137 HD2 LYS 22 1HD LYS 22 -1.351 17.110 -13.781 138 HD3 LYS 22 2HD LYS 22 -0.978 18.552 -12.858 139 HE2 LYS 22 1HE LYS 22 -3.147 19.554 -13.967 140 HE3 LYS 22 2HE LYS 22 -3.538 17.890 -14.354 141 HZ1 LYS 22 1HZ LYS 22 -3.199 17.410 -11.962 142 HZ2 LYS 22 2HZ LYS 22 -3.086 19.015 -11.683 143 HZ3 LYS 22 3HZ LYS 22 -4.471 18.384 -12.274 144 H ASP 23 H ASP 23 2.910 16.633 -16.562 145 HA ASP 23 HA ASP 23 3.424 18.225 -18.805 146 HB2 ASP 23 1HB ASP 23 4.895 16.632 -16.899 147 HB3 ASP 23 2HB ASP 23 5.415 16.150 -18.502 148 H GLY 24 H GLY 24 3.985 14.643 -18.399 149 HA2 GLY 24 1HA GLY 24 2.464 13.343 -20.029 150 HA3 GLY 24 2HA GLY 24 3.326 14.270 -21.241 151 H ASP 25 H ASP 25 5.880 14.335 -19.639 152 HA ASP 25 HA ASP 25 7.111 12.198 -20.774 153 HB2 ASP 25 1HB ASP 25 7.746 14.031 -18.465 154 HB3 ASP 25 2HB ASP 25 8.780 12.636 -18.698 155 H ARG 26 H ARG 26 5.319 12.514 -17.716 156 HA ARG 26 HA ARG 26 6.218 9.879 -16.916 157 HB2 ARG 26 1HB ARG 26 4.783 12.138 -15.457 158 HB3 ARG 26 2HB ARG 26 4.855 10.527 -14.772 159 HG2 ARG 26 1HG ARG 26 7.415 11.826 -15.733 160 HG3 ARG 26 2HG ARG 26 6.734 12.327 -14.198 161 HD2 ARG 26 1HD ARG 26 7.289 10.354 -13.160 162 HD3 ARG 26 2HD ARG 26 6.808 9.379 -14.534 163 HE ARG 26 HE ARG 26 9.024 9.382 -15.273 164 HH11 ARG 26 2HH2 ARG 26 8.572 12.048 -13.021 165 HH12 ARG 26 1HH2 ARG 26 10.251 12.475 -12.991 166 HH21 ARG 26 2HH1 ARG 26 11.239 9.945 -15.233 167 HH22 ARG 26 1HH1 ARG 26 11.778 11.270 -14.257 168 H LEU 27 H LEU 27 4.485 8.340 -16.056 169 HA LEU 27 HA LEU 27 1.920 8.799 -17.407 170 HB2 LEU 27 1HB LEU 27 3.743 7.072 -18.353 171 HB3 LEU 27 2HB LEU 27 2.961 6.028 -17.183 172 HG LEU 27 HG LEU 27 1.518 5.543 -18.811 173 HD11 LEU 27 1HD1 LEU 27 -0.449 6.740 -18.801 174 HD12 LEU 27 2HD1 LEU 27 0.327 7.326 -17.310 175 HD13 LEU 27 3HD1 LEU 27 0.377 8.316 -18.788 176 HD21 LEU 27 1HD2 LEU 27 1.322 7.557 -20.711 177 HD22 LEU 27 2HD2 LEU 27 3.019 7.630 -20.181 178 HD23 LEU 27 3HD2 LEU 27 2.345 6.104 -20.800 179 H ILE 28 H ILE 28 0.413 9.081 -15.857 180 HA ILE 28 HA ILE 28 0.841 7.776 -13.292 181 HB ILE 28 HB ILE 28 -1.263 9.784 -14.097 182 HG12 ILE 28 1HG1 ILE 28 0.822 10.853 -14.503 183 HG13 ILE 28 2HG1 ILE 28 0.227 11.451 -12.967 184 HG21 ILE 28 1HG2 ILE 28 -1.145 8.181 -11.867 185 HG22 ILE 28 2HG2 ILE 28 -0.354 9.675 -11.311 186 HG23 ILE 28 3HG2 ILE 28 -1.999 9.738 -11.987 187 HD11 ILE 28 1HD1 ILE 28 1.666 9.674 -11.819 188 HD12 ILE 28 2HD1 ILE 28 2.390 9.351 -13.412 189 HD13 ILE 28 3HD1 ILE 28 2.569 10.955 -12.662 190 H GLY 29 H GLY 29 -0.020 5.815 -12.906 191 HA2 GLY 29 1HA GLY 29 -2.413 5.054 -14.470 192 HA3 GLY 29 2HA GLY 29 -1.165 3.948 -13.931 193 H ARG 30 H ARG 30 -4.237 4.381 -13.373 194 HA ARG 30 HA ARG 30 -3.924 4.137 -10.490 195 HB2 ARG 30 1HB ARG 30 -5.391 6.125 -11.862 196 HB3 ARG 30 2HB ARG 30 -6.617 4.982 -11.350 197 HG2 ARG 30 1HG ARG 30 -5.803 5.115 -9.008 198 HG3 ARG 30 2HG ARG 30 -4.509 6.190 -9.497 199 HD2 ARG 30 1HD ARG 30 -7.044 7.243 -10.469 200 HD3 ARG 30 2HD ARG 30 -7.181 6.900 -8.756 201 HE ARG 30 HE ARG 30 -4.692 8.277 -9.399 202 HH11 ARG 30 2HH2 ARG 30 -8.119 8.750 -8.759 203 HH12 ARG 30 1HH2 ARG 30 -7.924 10.387 -8.226 204 HH21 ARG 30 2HH1 ARG 30 -4.434 10.436 -8.696 205 HH22 ARG 30 1HH1 ARG 30 -5.814 11.352 -8.190 206 H ILE 31 H ILE 31 -4.397 2.049 -9.880 207 HA ILE 31 HA ILE 31 -6.179 0.518 -11.618 208 HB ILE 31 HB ILE 31 -4.110 -0.270 -9.573 209 HG12 ILE 31 1HG1 ILE 31 -3.418 -1.561 -11.815 210 HG13 ILE 31 2HG1 ILE 31 -4.262 -0.214 -12.554 211 HG21 ILE 31 1HG2 ILE 31 -6.060 -2.048 -11.063 212 HG22 ILE 31 2HG2 ILE 31 -4.646 -2.614 -10.142 213 HG23 ILE 31 3HG2 ILE 31 -5.979 -1.783 -9.305 214 HD11 ILE 31 1HD1 ILE 31 -2.706 1.343 -11.847 215 HD12 ILE 31 2HD1 ILE 31 -2.361 0.468 -10.336 216 HD13 ILE 31 3HD1 ILE 31 -1.648 -0.089 -11.869 217 H LEU 32 H LEU 32 -7.788 -0.939 -10.561 218 HA LEU 32 HA LEU 32 -8.600 -0.031 -7.916 219 HB2 LEU 32 1HB LEU 32 -9.768 1.427 -9.482 220 HB3 LEU 32 2HB LEU 32 -10.390 0.037 -10.348 221 HG LEU 32 HG LEU 32 -11.988 1.202 -8.769 222 HD11 LEU 32 1HD1 LEU 32 -13.163 -0.745 -8.343 223 HD12 LEU 32 2HD1 LEU 32 -12.075 -1.239 -9.663 224 HD13 LEU 32 3HD1 LEU 32 -11.694 -1.683 -7.982 225 HD21 LEU 32 1HD2 LEU 32 -9.946 1.067 -6.959 226 HD22 LEU 32 2HD2 LEU 32 -11.658 1.345 -6.558 227 HD23 LEU 32 3HD2 LEU 32 -10.973 -0.294 -6.448 228 H LEU 33 H LEU 33 -9.605 -1.640 -6.690 229 HA LEU 33 HA LEU 33 -10.102 -4.167 -8.080 230 HB2 LEU 33 1HB LEU 33 -8.596 -3.988 -5.474 231 HB3 LEU 33 2HB LEU 33 -8.924 -5.421 -6.427 232 HG LEU 33 HG LEU 33 -7.323 -3.189 -7.640 233 HD11 LEU 33 1HD1 LEU 33 -6.561 -4.114 -5.207 234 HD12 LEU 33 2HD1 LEU 33 -5.758 -5.291 -6.275 235 HD13 LEU 33 3HD1 LEU 33 -5.438 -3.550 -6.468 236 HD21 LEU 33 1HD2 LEU 33 -6.736 -6.093 -8.000 237 HD22 LEU 33 2HD2 LEU 33 -8.209 -5.431 -8.748 238 HD23 LEU 33 3HD2 LEU 33 -6.619 -4.743 -9.154 239 H ASN 34 H ASN 34 -11.824 -5.382 -7.238 240 HA ASN 34 HA ASN 34 -13.226 -4.038 -5.062 241 HB2 ASN 34 1HB ASN 34 -14.327 -3.816 -7.361 242 HB3 ASN 34 2HB ASN 34 -14.495 -5.560 -7.398 243 HD21 ASN 34 1HD2 ASN 34 -15.648 -2.579 -6.136 244 HD22 ASN 34 2HD2 ASN 34 -17.008 -3.169 -5.241 245 H LYS 35 H LYS 35 -14.518 -5.553 -3.672 246 HA LYS 35 HA LYS 35 -13.578 -8.326 -3.916 247 HB2 LYS 35 1HB LYS 35 -14.076 -6.731 -1.384 248 HB3 LYS 35 2HB LYS 35 -13.648 -8.429 -1.448 249 HG2 LYS 35 1HG LYS 35 -11.482 -7.947 -2.423 250 HG3 LYS 35 2HG LYS 35 -11.923 -6.284 -2.755 251 HD2 LYS 35 1HD LYS 35 -11.485 -5.598 -0.608 252 HD3 LYS 35 2HD LYS 35 -12.207 -7.028 0.104 253 HE2 LYS 35 1HE LYS 35 -10.055 -7.624 0.599 254 HE3 LYS 35 2HE LYS 35 -9.969 -8.127 -1.078 255 HZ1 LYS 35 1HZ LYS 35 -8.509 -6.541 -1.439 256 HZ2 LYS 35 2HZ LYS 35 -9.527 -5.376 -0.915 257 HZ3 LYS 35 3HZ LYS 35 -8.532 -6.126 0.140 258 H ARG 36 H ARG 36 -16.225 -6.074 -2.983 259 HA ARG 36 HA ARG 36 -18.101 -7.710 -2.123 260 HB2 ARG 36 1HB ARG 36 -18.328 -5.435 -4.141 261 HB3 ARG 36 2HB ARG 36 -19.755 -6.226 -3.502 262 HG2 ARG 36 1HG ARG 36 -19.235 -5.563 -1.237 263 HG3 ARG 36 2HG ARG 36 -17.604 -5.090 -1.669 264 HD2 ARG 36 1HD ARG 36 -18.592 -2.989 -1.677 265 HD3 ARG 36 2HD ARG 36 -18.895 -3.428 -3.346 266 HE ARG 36 HE ARG 36 -21.104 -4.455 -2.051 267 HH11 ARG 36 2HH2 ARG 36 -19.583 -1.282 -2.065 268 HH12 ARG 36 1HH2 ARG 36 -21.062 -0.431 -1.766 269 HH21 ARG 36 2HH1 ARG 36 -23.055 -3.333 -1.657 270 HH22 ARG 36 1HH1 ARG 36 -23.050 -1.606 -1.533 271 H LEU 37 H LEU 37 -18.885 -9.671 -2.826 272 HA LEU 37 HA LEU 37 -18.300 -10.754 -5.296 273 HB2 LEU 37 1HB LEU 37 -20.584 -11.438 -3.440 274 HB3 LEU 37 2HB LEU 37 -19.954 -12.457 -4.719 275 HG LEU 37 HG LEU 37 -17.993 -11.553 -2.673 276 HD11 LEU 37 1HD1 LEU 37 -18.873 -12.512 -0.859 277 HD12 LEU 37 2HD1 LEU 37 -20.425 -12.444 -1.728 278 HD13 LEU 37 3HD1 LEU 37 -19.444 -13.929 -1.771 279 HD21 LEU 37 1HD2 LEU 37 -17.960 -14.352 -3.110 280 HD22 LEU 37 2HD2 LEU 37 -18.220 -13.575 -4.690 281 HD23 LEU 37 3HD2 LEU 37 -16.813 -13.124 -3.697 282 H LYS 38 H LYS 38 -20.224 -11.621 -6.800 283 HA LYS 38 HA LYS 38 -21.072 -9.514 -8.299 284 HB2 LYS 38 1HB LYS 38 -21.246 -12.286 -8.402 285 HB3 LYS 38 2HB LYS 38 -22.923 -11.779 -8.385 286 HG2 LYS 38 1HG LYS 38 -21.098 -10.210 -10.173 287 HG3 LYS 38 2HG LYS 38 -21.400 -11.868 -10.653 288 HD2 LYS 38 1HD LYS 38 -23.899 -11.403 -10.410 289 HD3 LYS 38 2HD LYS 38 -23.505 -9.718 -10.135 290 HE2 LYS 38 1HE LYS 38 -23.922 -9.765 -12.457 291 HE3 LYS 38 2HE LYS 38 -22.174 -9.867 -12.390 292 HZ1 LYS 38 1HZ LYS 38 -22.366 -11.745 -13.494 293 HZ2 LYS 38 2HZ LYS 38 -23.091 -12.440 -12.206 294 HZ3 LYS 38 3HZ LYS 38 -23.995 -11.750 -13.378 295 H ASP 39 H ASP 39 -22.902 -11.250 -5.698 296 HA ASP 39 HA ASP 39 -25.245 -9.925 -5.933 297 HB2 ASP 39 1HB ASP 39 -23.939 -10.564 -3.255 298 HB3 ASP 39 2HB ASP 39 -25.654 -10.526 -3.609 299 H GLY 40 H GLY 40 -22.246 -9.021 -4.103 300 HA2 GLY 40 1HA GLY 40 -21.673 -6.634 -4.215 301 HA3 GLY 40 2HA GLY 40 -23.339 -6.286 -3.798 302 H SER 41 H SER 41 -21.090 -8.818 -2.496 303 HA SER 41 HA SER 41 -21.025 -7.371 -0.001 304 HB2 SER 41 1HB SER 41 -21.729 -9.324 1.319 305 HB3 SER 41 2HB SER 41 -22.996 -8.859 0.201 306 HG SER 41 HG SER 41 -21.599 -11.237 0.373 307 H VAL 42 H VAL 42 -19.015 -7.579 0.992 308 HA VAL 42 HA VAL 42 -17.007 -9.001 -0.448 309 HB VAL 42 HB VAL 42 -17.004 -7.437 2.138 310 HG11 VAL 42 1HG1 VAL 42 -14.438 -7.835 0.738 311 HG12 VAL 42 2HG1 VAL 42 -14.819 -7.878 2.476 312 HG13 VAL 42 3HG1 VAL 42 -15.121 -9.310 1.463 313 HG21 VAL 42 1HG2 VAL 42 -16.050 -5.642 0.859 314 HG22 VAL 42 2HG2 VAL 42 -15.907 -6.672 -0.586 315 HG23 VAL 42 3HG2 VAL 42 -17.515 -6.196 0.012 316 HA PRO 43 HA PRO 43 -17.400 -12.703 1.786 317 HB2 PRO 43 1HB PRO 43 -15.236 -14.023 0.765 318 HB3 PRO 43 2HB PRO 43 -16.786 -13.953 -0.048 319 HG2 PRO 43 1HG PRO 43 -14.294 -12.495 -0.681 320 HG3 PRO 43 2HG PRO 43 -15.694 -12.768 -1.699 321 HD2 PRO 43 1HD PRO 43 -15.011 -10.338 -0.338 322 HD3 PRO 43 2HD PRO 43 -16.468 -10.648 -1.260 323 H ARG 44 H ARG 44 -16.107 -14.251 3.221 324 HA ARG 44 HA ARG 44 -15.271 -12.894 5.348 325 HB2 ARG 44 1HB ARG 44 -14.511 -15.616 4.254 326 HB3 ARG 44 2HB ARG 44 -13.724 -15.048 5.712 327 HG2 ARG 44 1HG ARG 44 -16.643 -14.619 5.787 328 HG3 ARG 44 2HG ARG 44 -16.230 -16.307 5.565 329 HD2 ARG 44 1HD ARG 44 -14.523 -15.022 7.598 330 HD3 ARG 44 2HD ARG 44 -16.223 -14.900 8.004 331 HE ARG 44 HE ARG 44 -15.594 -17.580 7.115 332 HH11 ARG 44 2HH2 ARG 44 -15.260 -15.418 9.872 333 HH12 ARG 44 1HH2 ARG 44 -15.185 -16.702 11.032 334 HH21 ARG 44 2HH1 ARG 44 -15.496 -19.274 8.645 335 HH22 ARG 44 1HH1 ARG 44 -15.321 -18.910 10.330 336 H ASP 45 H ASP 45 -13.426 -13.626 2.385 337 HA ASP 45 HA ASP 45 -11.560 -11.629 2.999 338 HB2 ASP 45 1HB ASP 45 -9.591 -13.422 2.730 339 HB3 ASP 45 2HB ASP 45 -10.239 -13.014 4.306 340 H SER 46 H SER 46 -11.749 -10.814 0.883 341 HA SER 46 HA SER 46 -11.670 -12.737 -1.279 342 HB2 SER 46 1HB SER 46 -13.038 -10.251 -0.824 343 HB3 SER 46 2HB SER 46 -11.976 -10.015 -2.198 344 HG SER 46 HG SER 46 -14.232 -10.922 -2.586 345 H GLY 47 H GLY 47 -9.227 -12.496 0.076 346 HA2 GLY 47 1HA GLY 47 -7.052 -12.375 -0.598 347 HA3 GLY 47 2HA GLY 47 -7.530 -11.499 -2.039 348 H ALA 48 H ALA 48 -6.761 -11.227 1.438 349 HA ALA 48 HA ALA 48 -7.249 -8.554 1.844 350 HB1 ALA 48 1HB ALA 48 -6.681 -9.856 3.719 351 HB2 ALA 48 2HB ALA 48 -5.231 -10.527 2.933 352 HB3 ALA 48 3HB ALA 48 -5.243 -8.834 3.484 353 H MET 49 H MET 49 -4.217 -10.141 0.623 354 HA MET 49 HA MET 49 -3.168 -7.541 0.002 355 HB2 MET 49 1HB MET 49 -2.184 -10.339 0.271 356 HB3 MET 49 2HB MET 49 -1.434 -9.483 -1.063 357 HG2 MET 49 1HG MET 49 -1.301 -7.549 0.892 358 HG3 MET 49 2HG MET 49 -1.196 -8.994 1.878 359 HE1 MET 49 1HE MET 49 0.572 -6.744 1.573 360 HE2 MET 49 2HE MET 49 2.114 -7.594 1.837 361 HE3 MET 49 3HE MET 49 1.823 -6.731 0.307 362 H LEU 50 H LEU 50 -5.560 -9.055 -1.423 363 HA LEU 50 HA LEU 50 -6.411 -9.080 -3.460 364 HB2 LEU 50 1HB LEU 50 -4.029 -7.362 -4.167 365 HB3 LEU 50 2HB LEU 50 -5.384 -7.678 -5.233 366 HG LEU 50 HG LEU 50 -5.472 -5.472 -4.087 367 HD11 LEU 50 1HD1 LEU 50 -7.496 -6.847 -4.893 368 HD12 LEU 50 2HD1 LEU 50 -7.809 -7.134 -3.165 369 HD13 LEU 50 3HD1 LEU 50 -7.786 -5.472 -3.801 370 HD21 LEU 50 1HD2 LEU 50 -6.107 -6.984 -1.550 371 HD22 LEU 50 2HD2 LEU 50 -4.483 -6.361 -1.926 372 HD23 LEU 50 3HD2 LEU 50 -5.854 -5.236 -1.769 373 H GLY 51 H GLY 51 -2.880 -9.117 -4.297 374 HA2 GLY 51 1HA GLY 51 -2.506 -11.829 -4.510 375 HA3 GLY 51 2HA GLY 51 -3.236 -11.360 -6.032 376 H LEU 52 H LEU 52 -1.050 -9.378 -3.946 377 HA LEU 52 HA LEU 52 1.196 -9.860 -5.653 378 HB2 LEU 52 1HB LEU 52 1.246 -8.024 -6.918 379 HB3 LEU 52 2HB LEU 52 -0.493 -8.080 -6.706 380 HG LEU 52 HG LEU 52 -0.143 -6.510 -4.702 381 HD11 LEU 52 1HD1 LEU 52 2.136 -5.153 -5.602 382 HD12 LEU 52 2HD1 LEU 52 1.947 -6.076 -4.092 383 HD13 LEU 52 3HD1 LEU 52 2.600 -6.871 -5.545 384 HD21 LEU 52 1HD2 LEU 52 0.039 -5.861 -7.603 385 HD22 LEU 52 2HD2 LEU 52 -1.206 -5.441 -6.402 386 HD23 LEU 52 3HD2 LEU 52 0.332 -4.546 -6.440 387 H LYS 53 H LYS 53 3.157 -8.753 -4.816 388 HA LYS 53 HA LYS 53 2.811 -8.224 -1.953 389 HB2 LYS 53 1HB LYS 53 4.267 -10.181 -2.954 390 HB3 LYS 53 2HB LYS 53 5.448 -8.913 -3.213 391 HG2 LYS 53 1HG LYS 53 4.081 -9.313 -0.519 392 HG3 LYS 53 2HG LYS 53 5.546 -10.172 -0.950 393 HD2 LYS 53 1HD LYS 53 5.646 -7.234 -1.450 394 HD3 LYS 53 2HD LYS 53 5.484 -7.678 0.238 395 HE2 LYS 53 1HE LYS 53 7.698 -8.460 -1.697 396 HE3 LYS 53 2HE LYS 53 7.847 -7.591 -0.183 397 HZ1 LYS 53 1HZ LYS 53 6.726 -9.850 0.624 398 HZ2 LYS 53 2HZ LYS 53 7.603 -10.409 -0.635 399 HZ3 LYS 53 3HZ LYS 53 8.341 -9.608 0.582 400 H VAL 54 H VAL 54 3.466 -6.289 -1.069 401 HA VAL 54 HA VAL 54 4.738 -4.413 -2.939 402 HB VAL 54 HB VAL 54 2.520 -3.893 -0.950 403 HG11 VAL 54 1HG1 VAL 54 4.546 -2.131 -1.944 404 HG12 VAL 54 2HG1 VAL 54 2.986 -1.659 -2.660 405 HG13 VAL 54 3HG1 VAL 54 3.160 -1.759 -0.891 406 HG21 VAL 54 1HG2 VAL 54 2.625 -4.212 -3.925 407 HG22 VAL 54 2HG2 VAL 54 1.382 -4.729 -2.761 408 HG23 VAL 54 3HG2 VAL 54 1.497 -3.019 -3.240 409 H VAL 55 H VAL 55 6.269 -2.956 -2.013 410 HA VAL 55 HA VAL 55 6.906 -3.460 0.797 411 HB VAL 55 HB VAL 55 8.375 -4.926 -0.315 412 HG11 VAL 55 1HG1 VAL 55 9.853 -3.243 -2.108 413 HG12 VAL 55 2HG1 VAL 55 8.912 -4.711 -2.467 414 HG13 VAL 55 3HG1 VAL 55 8.120 -3.117 -2.496 415 HG21 VAL 55 1HG2 VAL 55 9.627 -3.865 1.338 416 HG22 VAL 55 2HG2 VAL 55 10.642 -3.660 -0.110 417 HG23 VAL 55 3HG2 VAL 55 9.642 -2.309 0.475 418 H GLY 56 H GLY 56 6.689 -1.522 1.782 419 HA2 GLY 56 1HA GLY 56 7.268 0.899 0.211 420 HA3 GLY 56 2HA GLY 56 6.275 0.797 1.651 421 H GLY 57 H GLY 57 7.837 2.736 2.120 422 HA2 GLY 57 1HA GLY 57 9.459 3.558 3.440 423 HA3 GLY 57 2HA GLY 57 9.607 1.965 4.156 424 H LYS 58 H LYS 58 9.974 1.869 0.723 425 HA LYS 58 HA LYS 58 12.710 1.142 0.986 426 HB2 LYS 58 1HB LYS 58 11.268 0.011 -0.599 427 HB3 LYS 58 2HB LYS 58 10.909 1.514 -1.423 428 HG2 LYS 58 1HG LYS 58 12.677 1.068 -2.778 429 HG3 LYS 58 2HG LYS 58 13.711 1.461 -1.419 430 HD2 LYS 58 1HD LYS 58 14.447 -0.700 -2.024 431 HD3 LYS 58 2HD LYS 58 13.371 -1.022 -0.679 432 HE2 LYS 58 1HE LYS 58 12.117 -2.359 -2.013 433 HE3 LYS 58 2HE LYS 58 11.722 -0.978 -3.016 434 HZ1 LYS 58 1HZ LYS 58 13.284 -1.535 -4.510 435 HZ2 LYS 58 2HZ LYS 58 14.327 -2.154 -3.416 436 HZ3 LYS 58 3HZ LYS 58 13.047 -3.037 -3.915 437 H MET 59 H MET 59 14.455 2.450 1.006 438 HA MET 59 HA MET 59 14.059 5.226 0.606 439 HB2 MET 59 1HB MET 59 15.792 3.682 2.091 440 HB3 MET 59 2HB MET 59 16.830 4.050 0.728 441 HG2 MET 59 1HG MET 59 17.280 5.889 2.099 442 HG3 MET 59 2HG MET 59 15.985 6.547 1.120 443 HE1 MET 59 1HE MET 59 13.560 7.543 2.573 444 HE2 MET 59 2HE MET 59 14.525 8.231 3.901 445 HE3 MET 59 3HE MET 59 15.200 8.158 2.255 446 H THR 60 H THR 60 14.023 6.211 -1.364 447 HA THR 60 HA THR 60 15.220 4.855 -3.629 448 HB THR 60 HB THR 60 14.051 6.729 -4.861 449 HG1 THR 60 1HG THR 60 12.977 8.270 -3.496 450 HG21 THR 60 1HG2 THR 60 12.352 5.417 -2.672 451 HG22 THR 60 2HG2 THR 60 11.711 6.219 -4.126 452 HG23 THR 60 3HG2 THR 60 12.671 4.728 -4.281 453 H GLU 61 H GLU 61 15.931 7.105 -5.201 454 HA GLU 61 HA GLU 61 18.516 7.525 -4.061 455 HB2 GLU 61 1HB GLU 61 18.606 7.058 -6.368 456 HB3 GLU 61 2HB GLU 61 17.219 8.064 -6.736 457 HG2 GLU 61 1HG GLU 61 18.461 10.058 -6.662 458 HG3 GLU 61 2HG GLU 61 19.664 9.398 -5.572 459 H SER 62 H SER 62 15.459 9.185 -4.217 460 HA SER 62 HA SER 62 16.708 11.751 -3.806 461 HB2 SER 62 1HB SER 62 14.405 11.004 -5.113 462 HB3 SER 62 2HB SER 62 13.749 11.489 -3.562 463 HG SER 62 HG SER 62 15.670 13.229 -4.730 464 H GLY 63 H GLY 63 16.425 9.180 -1.899 465 HA2 GLY 63 1HA GLY 63 16.430 8.907 0.337 466 HA3 GLY 63 2HA GLY 63 16.396 10.649 0.525 467 H ARG 64 H ARG 64 13.880 9.260 -1.489 468 HA ARG 64 HA ARG 64 12.013 9.860 0.641 469 HB2 ARG 64 1HB ARG 64 12.008 10.128 -2.294 470 HB3 ARG 64 2HB ARG 64 10.558 9.323 -1.727 471 HG2 ARG 64 1HG ARG 64 10.327 11.222 0.004 472 HG3 ARG 64 2HG ARG 64 11.603 12.054 -0.863 473 HD2 ARG 64 1HD ARG 64 9.942 11.395 -2.958 474 HD3 ARG 64 2HD ARG 64 8.765 11.570 -1.671 475 HE ARG 64 HE ARG 64 10.316 13.820 -1.345 476 HH11 ARG 64 2HH2 ARG 64 8.702 12.419 -4.140 477 HH12 ARG 64 1HH2 ARG 64 8.455 13.944 -4.923 478 HH21 ARG 64 2HH1 ARG 64 9.991 15.833 -2.377 479 HH22 ARG 64 1HH1 ARG 64 9.193 15.899 -3.913 480 H LEU 65 H LEU 65 9.941 8.390 0.626 481 HA LEU 65 HA LEU 65 10.810 5.616 0.187 482 HB2 LEU 65 1HB LEU 65 8.971 6.700 2.326 483 HB3 LEU 65 2HB LEU 65 9.381 5.014 2.081 484 HG LEU 65 HG LEU 65 11.390 7.173 2.778 485 HD11 LEU 65 1HD1 LEU 65 9.589 6.667 4.524 486 HD12 LEU 65 2HD1 LEU 65 10.352 5.066 4.671 487 HD13 LEU 65 3HD1 LEU 65 11.290 6.534 5.032 488 HD21 LEU 65 1HD2 LEU 65 12.294 4.595 3.508 489 HD22 LEU 65 2HD2 LEU 65 11.686 4.476 1.839 490 HD23 LEU 65 3HD2 LEU 65 12.936 5.676 2.247 491 H CYS 66 H CYS 66 9.439 4.240 -0.928 492 HA CYS 66 HA CYS 66 6.765 5.152 -1.499 493 HB2 CYS 66 1HB CYS 66 8.636 5.962 -3.293 494 HB3 CYS 66 2HB CYS 66 8.249 4.388 -3.958 495 HG CYS 66 HG CYS 66 6.849 6.955 -4.511 496 H ALA 67 H ALA 67 5.498 3.337 -2.547 497 HA ALA 67 HA ALA 67 6.528 0.796 -1.584 498 HB1 ALA 67 1HB ALA 67 3.798 1.450 -2.750 499 HB2 ALA 67 2HB ALA 67 4.246 0.062 -1.730 500 HB3 ALA 67 3HB ALA 67 4.215 1.701 -1.038 501 H PHE 68 H PHE 68 7.166 -0.881 -2.898 502 HA PHE 68 HA PHE 68 6.827 -0.428 -5.779 503 HB2 PHE 68 1HB PHE 68 9.120 -1.637 -4.121 504 HB3 PHE 68 2HB PHE 68 9.077 -1.700 -5.871 505 HD1 PHE 68 2HD PHE 68 8.927 0.580 -7.106 506 HD2 PHE 68 1HD PHE 68 10.120 0.173 -3.054 507 HE1 PHE 68 2HE PHE 68 10.059 2.818 -7.215 508 HE2 PHE 68 1HE PHE 68 11.252 2.411 -3.163 509 HZ PHE 68 HZ PHE 68 11.207 3.706 -5.242 510 H ILE 69 H ILE 69 6.399 -2.274 -7.085 511 HA ILE 69 HA ILE 69 5.184 -4.432 -5.601 512 HB ILE 69 HB ILE 69 5.301 -3.749 -8.538 513 HG12 ILE 69 1HG1 ILE 69 2.962 -3.632 -6.617 514 HG13 ILE 69 2HG1 ILE 69 3.977 -2.254 -6.991 515 HG21 ILE 69 1HG2 ILE 69 3.385 -5.773 -7.480 516 HG22 ILE 69 2HG2 ILE 69 4.128 -5.620 -9.090 517 HG23 ILE 69 3HG2 ILE 69 5.075 -6.272 -7.732 518 HD11 ILE 69 1HD1 ILE 69 3.413 -2.438 -9.391 519 HD12 ILE 69 2HD1 ILE 69 2.443 -3.893 -9.061 520 HD13 ILE 69 3HD1 ILE 69 1.930 -2.317 -8.414 521 H THR 70 H THR 70 6.187 -6.298 -5.085 522 HA THR 70 HA THR 70 8.800 -6.790 -6.284 523 HB THR 70 HB THR 70 9.258 -7.840 -4.264 524 HG1 THR 70 1HG THR 70 7.873 -9.620 -4.434 525 HG21 THR 70 1HG2 THR 70 6.643 -6.849 -3.137 526 HG22 THR 70 2HG2 THR 70 8.284 -6.710 -2.463 527 HG23 THR 70 3HG2 THR 70 7.767 -5.628 -3.779 528 H LYS 71 H LYS 71 5.587 -8.382 -5.875 529 HA LYS 71 HA LYS 71 6.104 -9.820 -8.326 530 HB2 LYS 71 1HB LYS 71 6.689 -11.062 -5.869 531 HB3 LYS 71 2HB LYS 71 5.140 -11.720 -6.357 532 HG2 LYS 71 1HG LYS 71 6.338 -11.898 -8.751 533 HG3 LYS 71 2HG LYS 71 7.799 -11.866 -7.784 534 HD2 LYS 71 1HD LYS 71 7.254 -13.880 -6.648 535 HD3 LYS 71 2HD LYS 71 5.548 -13.748 -7.023 536 HE2 LYS 71 1HE LYS 71 5.965 -15.207 -8.724 537 HE3 LYS 71 2HE LYS 71 6.678 -13.844 -9.563 538 HZ1 LYS 71 1HZ LYS 71 7.967 -16.059 -8.292 539 HZ2 LYS 71 2HZ LYS 71 8.475 -15.131 -9.536 540 HZ3 LYS 71 3HZ LYS 71 8.679 -14.619 -7.999 541 H VAL 72 H VAL 72 4.083 -10.930 -9.102 542 HA VAL 72 HA VAL 72 1.679 -9.878 -7.821 543 HB VAL 72 HB VAL 72 2.307 -9.595 -10.766 544 HG11 VAL 72 1HG1 VAL 72 -0.030 -9.866 -10.554 545 HG12 VAL 72 2HG1 VAL 72 -0.098 -8.872 -9.079 546 HG13 VAL 72 3HG1 VAL 72 0.226 -8.107 -10.653 547 HG21 VAL 72 1HG2 VAL 72 2.640 -7.738 -8.449 548 HG22 VAL 72 2HG2 VAL 72 3.599 -7.896 -9.940 549 HG23 VAL 72 3HG2 VAL 72 2.028 -7.060 -9.976 550 H LYS 73 H LYS 73 0.384 -11.586 -7.411 551 HA LYS 73 HA LYS 73 0.885 -14.134 -8.341 552 HB2 LYS 73 1HB LYS 73 -0.427 -13.536 -6.321 553 HB3 LYS 73 2HB LYS 73 -1.739 -12.986 -7.343 554 HG2 LYS 73 1HG LYS 73 -2.520 -15.115 -7.373 555 HG3 LYS 73 2HG LYS 73 -1.125 -15.560 -8.335 556 HD2 LYS 73 1HD LYS 73 0.126 -15.702 -6.009 557 HD3 LYS 73 2HD LYS 73 -1.489 -15.775 -5.331 558 HE2 LYS 73 1HE LYS 73 -0.638 -17.628 -7.594 559 HE3 LYS 73 2HE LYS 73 -0.316 -18.029 -5.918 560 HZ1 LYS 73 1HZ LYS 73 -2.386 -18.705 -5.756 561 HZ2 LYS 73 2HZ LYS 73 -2.957 -17.216 -6.109 562 HZ3 LYS 73 3HZ LYS 73 -2.698 -18.297 -7.306 563 H LYS 74 H LYS 74 0.095 -15.415 -10.028 564 HA LYS 74 HA LYS 74 -0.951 -13.866 -12.253 565 HB2 LYS 74 1HB LYS 74 1.049 -15.295 -12.555 566 HB3 LYS 74 2HB LYS 74 0.102 -16.708 -12.139 567 HG2 LYS 74 1HG LYS 74 -1.293 -15.179 -14.188 568 HG3 LYS 74 2HG LYS 74 0.356 -15.473 -14.703 569 HD2 LYS 74 1HD LYS 74 -0.948 -17.841 -13.467 570 HD3 LYS 74 2HD LYS 74 -1.738 -17.286 -14.930 571 HE2 LYS 74 1HE LYS 74 -0.083 -18.159 -16.216 572 HE3 LYS 74 2HE LYS 74 1.130 -17.229 -15.359 573 HZ1 LYS 74 1HZ LYS 74 1.142 -19.788 -15.263 574 HZ2 LYS 74 2HZ LYS 74 1.515 -18.932 -13.923 575 HZ3 LYS 74 3HZ LYS 74 0.032 -19.598 -14.081 576 H GLY 75 H GLY 75 -3.131 -13.560 -12.117 577 HA2 GLY 75 1HA GLY 75 -5.225 -14.496 -12.680 578 HA3 GLY 75 2HA GLY 75 -4.769 -15.997 -11.900 579 H SER 76 H SER 76 -4.460 -12.579 -10.724 580 HA SER 76 HA SER 76 -6.438 -13.226 -8.702 581 HB2 SER 76 1HB SER 76 -3.587 -12.322 -8.244 582 HB3 SER 76 2HB SER 76 -4.832 -11.857 -7.102 583 HG SER 76 HG SER 76 -4.239 -13.775 -6.256 584 H LEU 77 H LEU 77 -6.892 -11.022 -7.377 585 HA LEU 77 HA LEU 77 -8.091 -9.258 -9.021 586 HB2 LEU 77 1HB LEU 77 -6.962 -9.046 -6.261 587 HB3 LEU 77 2HB LEU 77 -7.597 -7.606 -7.033 588 HG LEU 77 HG LEU 77 -9.290 -8.595 -5.632 589 HD11 LEU 77 1HD1 LEU 77 -10.847 -7.961 -7.078 590 HD12 LEU 77 2HD1 LEU 77 -9.622 -8.010 -8.368 591 HD13 LEU 77 3HD1 LEU 77 -10.624 -9.443 -8.039 592 HD21 LEU 77 1HD2 LEU 77 -9.026 -11.119 -7.288 593 HD22 LEU 77 2HD2 LEU 77 -8.422 -10.901 -5.628 594 HD23 LEU 77 3HD2 LEU 77 -10.171 -10.832 -5.956 595 H ALA 78 H ALA 78 -4.952 -8.432 -7.384 596 HA ALA 78 HA ALA 78 -4.429 -6.373 -9.249 597 HB1 ALA 78 1HB ALA 78 -2.807 -5.837 -7.759 598 HB2 ALA 78 2HB ALA 78 -3.553 -7.085 -6.732 599 HB3 ALA 78 3HB ALA 78 -2.146 -7.490 -7.744 600 H ASP 79 H ASP 79 -4.966 -8.040 -11.110 601 HA ASP 79 HA ASP 79 -2.665 -8.384 -12.534 602 HB2 ASP 79 1HB ASP 79 -2.560 -10.306 -10.672 603 HB3 ASP 79 2HB ASP 79 -3.677 -11.123 -11.747 604 H THR 80 H THR 80 -5.746 -10.162 -11.733 605 HA THR 80 HA THR 80 -6.382 -10.563 -14.502 606 HB THR 80 HB THR 80 -8.454 -11.565 -13.478 607 HG1 THR 80 1HG THR 80 -7.847 -9.763 -11.622 608 HG21 THR 80 1HG2 THR 80 -6.647 -13.155 -13.448 609 HG22 THR 80 2HG2 THR 80 -5.759 -12.232 -12.212 610 HG23 THR 80 3HG2 THR 80 -7.238 -13.118 -11.769 611 H VAL 81 H VAL 81 -6.994 -8.093 -12.057 612 HA VAL 81 HA VAL 81 -8.748 -6.772 -14.012 613 HB VAL 81 HB VAL 81 -9.654 -5.593 -11.947 614 HG11 VAL 81 1HG1 VAL 81 -10.485 -8.376 -11.553 615 HG12 VAL 81 2HG1 VAL 81 -11.419 -6.968 -12.113 616 HG13 VAL 81 3HG1 VAL 81 -10.433 -7.899 -13.267 617 HG21 VAL 81 1HG2 VAL 81 -7.780 -6.355 -10.449 618 HG22 VAL 81 2HG2 VAL 81 -9.414 -6.638 -9.803 619 HG23 VAL 81 3HG2 VAL 81 -8.487 -7.988 -10.498 620 H GLY 82 H GLY 82 -6.138 -6.478 -11.555 621 HA2 GLY 82 1HA GLY 82 -5.686 -3.692 -12.141 622 HA3 GLY 82 2HA GLY 82 -4.750 -4.736 -11.089 623 H HIS 83 H HIS 83 -4.074 -6.866 -12.841 624 HA HIS 83 HA HIS 83 -2.667 -7.461 -14.419 625 HB2 HIS 83 1HB HIS 83 -3.178 -4.781 -15.738 626 HB3 HIS 83 2HB HIS 83 -2.464 -6.196 -16.487 627 HD1 HIS 83 1HD HIS 83 -4.079 -8.246 -16.984 628 HD2 HIS 83 2HD HIS 83 -5.974 -4.769 -15.599 629 HE1 HIS 83 1HE HIS 83 -6.566 -8.547 -17.468 630 H LEU 84 H LEU 84 -2.129 -5.358 -12.063 631 HA LEU 84 HA LEU 84 0.024 -3.808 -12.636 632 HB2 LEU 84 1HB LEU 84 -0.511 -5.434 -10.147 633 HB3 LEU 84 2HB LEU 84 0.660 -4.135 -10.261 634 HG LEU 84 HG LEU 84 -2.194 -3.568 -10.985 635 HD11 LEU 84 1HD1 LEU 84 -2.986 -4.131 -8.990 636 HD12 LEU 84 2HD1 LEU 84 -1.362 -4.574 -8.412 637 HD13 LEU 84 3HD1 LEU 84 -1.929 -2.893 -8.270 638 HD21 LEU 84 1HD2 LEU 84 -1.609 -1.356 -9.997 639 HD22 LEU 84 2HD2 LEU 84 0.049 -1.954 -9.747 640 HD23 LEU 84 3HD2 LEU 84 -0.608 -1.815 -11.395 641 H ARG 85 H ARG 85 2.387 -4.271 -11.802 642 HA ARG 85 HA ARG 85 3.160 -6.978 -12.356 643 HB2 ARG 85 1HB ARG 85 3.691 -4.664 -14.190 644 HB3 ARG 85 2HB ARG 85 5.061 -5.712 -13.885 645 HG2 ARG 85 1HG ARG 85 4.140 -7.484 -15.032 646 HG3 ARG 85 2HG ARG 85 2.521 -7.161 -14.445 647 HD2 ARG 85 1HD ARG 85 1.995 -5.794 -16.231 648 HD3 ARG 85 2HD ARG 85 3.596 -5.086 -16.300 649 HE ARG 85 HE ARG 85 3.660 -7.874 -17.103 650 HH11 ARG 85 2HH2 ARG 85 2.834 -4.647 -18.239 651 HH12 ARG 85 1HH2 ARG 85 3.082 -5.033 -19.909 652 HH21 ARG 85 2HH1 ARG 85 3.988 -8.383 -19.307 653 HH22 ARG 85 1HH1 ARG 85 3.743 -7.172 -20.521 654 HA PRO 86 HA PRO 86 6.225 -5.854 -9.465 655 HB2 PRO 86 1HB PRO 86 8.176 -7.711 -9.929 656 HB3 PRO 86 2HB PRO 86 6.727 -8.054 -9.004 657 HG2 PRO 86 1HG PRO 86 7.401 -8.872 -11.763 658 HG3 PRO 86 2HG PRO 86 6.189 -9.537 -10.686 659 HD2 PRO 86 1HD PRO 86 5.733 -7.781 -12.908 660 HD3 PRO 86 2HD PRO 86 4.538 -8.353 -11.762 661 H GLY 87 H GLY 87 7.051 -3.856 -9.641 662 HA2 GLY 87 1HA GLY 87 9.535 -3.261 -10.253 663 HA3 GLY 87 2HA GLY 87 8.887 -3.407 -11.874 664 H ASP 88 H ASP 88 6.126 -2.490 -10.918 665 HA ASP 88 HA ASP 88 6.515 0.204 -11.491 666 HB2 ASP 88 1HB ASP 88 4.305 -1.633 -11.014 667 HB3 ASP 88 2HB ASP 88 3.998 -0.130 -10.167 668 H GLU 89 H GLU 89 5.085 1.806 -9.807 669 HA GLU 89 HA GLU 89 6.022 1.215 -7.122 670 HB2 GLU 89 1HB GLU 89 7.677 2.734 -8.213 671 HB3 GLU 89 2HB GLU 89 6.401 3.888 -8.544 672 HG2 GLU 89 1HG GLU 89 5.947 4.064 -6.074 673 HG3 GLU 89 2HG GLU 89 7.266 2.952 -5.766 674 H VAL 90 H VAL 90 4.179 1.098 -5.915 675 HA VAL 90 HA VAL 90 1.810 2.448 -6.760 676 HB VAL 90 HB VAL 90 2.388 1.000 -4.171 677 HG11 VAL 90 1HG1 VAL 90 -0.290 0.790 -5.345 678 HG12 VAL 90 2HG1 VAL 90 0.206 1.192 -3.683 679 HG13 VAL 90 3HG1 VAL 90 0.162 2.461 -4.931 680 HG21 VAL 90 1HG2 VAL 90 1.138 -0.275 -6.603 681 HG22 VAL 90 2HG2 VAL 90 2.903 -0.262 -6.371 682 HG23 VAL 90 3HG2 VAL 90 1.853 -1.049 -5.168 683 H LEU 91 H LEU 91 1.190 4.489 -6.273 684 HA LEU 91 HA LEU 91 2.784 5.905 -4.286 685 HB2 LEU 91 1HB LEU 91 0.781 7.028 -6.241 686 HB3 LEU 91 2HB LEU 91 1.969 7.909 -5.301 687 HG LEU 91 HG LEU 91 2.774 5.852 -7.362 688 HD11 LEU 91 1HD1 LEU 91 1.633 8.516 -7.794 689 HD12 LEU 91 2HD1 LEU 91 3.225 8.289 -8.557 690 HD13 LEU 91 3HD1 LEU 91 1.891 7.172 -8.932 691 HD21 LEU 91 1HD2 LEU 91 4.916 6.777 -7.244 692 HD22 LEU 91 2HD2 LEU 91 4.338 8.261 -6.449 693 HD23 LEU 91 3HD2 LEU 91 4.372 6.725 -5.550 694 H GLU 92 H GLU 92 -0.708 5.592 -5.257 695 HA GLU 92 HA GLU 92 -1.309 5.990 -2.430 696 HB2 GLU 92 1HB GLU 92 -2.846 6.756 -4.938 697 HB3 GLU 92 2HB GLU 92 -3.630 6.682 -3.372 698 HG2 GLU 92 1HG GLU 92 -2.276 8.432 -2.470 699 HG3 GLU 92 2HG GLU 92 -1.062 8.265 -3.722 700 H TRP 93 H TRP 93 -2.998 4.664 -1.471 701 HA TRP 93 HA TRP 93 -3.811 2.373 -3.103 702 HB2 TRP 93 1HB TRP 93 -1.872 1.595 -1.931 703 HB3 TRP 93 2HB TRP 93 -2.450 2.249 -0.411 704 HD1 TRP 93 HD TRP 93 -4.946 1.009 0.421 705 HE1 TRP 93 1HE TRP 93 -5.627 -1.540 0.427 706 HE3 TRP 93 3HE TRP 93 -1.505 -0.459 -3.022 707 HZ2 TRP 93 2HZ TRP 93 -4.672 -3.833 -0.977 708 HZ3 TRP 93 3HZ TRP 93 -1.445 -2.871 -3.649 709 HH2 TRP 93 HH TRP 93 -2.956 -4.535 -2.687 710 H ASN 94 H ASN 94 -5.946 3.171 -3.242 711 HA ASN 94 HA ASN 94 -8.020 3.284 -2.572 712 HB2 ASN 94 1HB ASN 94 -6.867 1.831 -0.419 713 HB3 ASN 94 2HB ASN 94 -7.754 3.128 0.358 714 HD21 ASN 94 1HD2 ASN 94 -8.572 0.639 0.805 715 HD22 ASN 94 2HD2 ASN 94 -10.059 0.273 -0.005 716 H GLY 95 H GLY 95 -5.733 5.421 -2.282 717 HA2 GLY 95 1HA GLY 95 -6.261 7.736 -2.154 718 HA3 GLY 95 2HA GLY 95 -7.374 7.405 -0.842 719 H ARG 96 H ARG 96 -5.015 5.331 -0.019 720 HA ARG 96 HA ARG 96 -3.903 7.211 1.814 721 HB2 ARG 96 1HB ARG 96 -3.901 4.214 1.481 722 HB3 ARG 96 2HB ARG 96 -2.588 4.910 2.409 723 HG2 ARG 96 1HG ARG 96 -5.385 5.847 3.031 724 HG3 ARG 96 2HG ARG 96 -4.936 4.234 3.548 725 HD2 ARG 96 1HD ARG 96 -2.980 5.139 4.782 726 HD3 ARG 96 2HD ARG 96 -3.335 6.755 4.205 727 HE ARG 96 HE ARG 96 -5.367 5.266 5.825 728 HH11 ARG 96 2HH2 ARG 96 -3.263 8.050 5.373 729 HH12 ARG 96 1HH2 ARG 96 -3.949 8.944 6.688 730 HH21 ARG 96 2HH1 ARG 96 -6.274 6.445 7.560 731 HH22 ARG 96 1HH1 ARG 96 -5.674 8.024 7.941 732 H LEU 97 H LEU 97 -2.104 8.408 1.279 733 HA LEU 97 HA LEU 97 -0.531 7.777 -0.973 734 HB2 LEU 97 1HB LEU 97 -0.933 10.048 -0.234 735 HB3 LEU 97 2HB LEU 97 -0.130 9.735 1.291 736 HG LEU 97 HG LEU 97 1.824 9.066 -0.539 737 HD11 LEU 97 1HD1 LEU 97 0.492 9.904 -2.406 738 HD12 LEU 97 2HD1 LEU 97 0.352 11.490 -1.610 739 HD13 LEU 97 3HD1 LEU 97 1.943 10.903 -2.152 740 HD21 LEU 97 1HD2 LEU 97 2.985 10.969 0.262 741 HD22 LEU 97 2HD2 LEU 97 1.473 11.835 0.624 742 HD23 LEU 97 3HD2 LEU 97 1.941 10.418 1.594 743 H LEU 98 H LEU 98 1.356 6.640 -1.192 744 HA LEU 98 HA LEU 98 2.287 5.310 1.242 745 HB2 LEU 98 1HB LEU 98 2.831 4.593 -1.639 746 HB3 LEU 98 2HB LEU 98 3.224 3.644 -0.219 747 HG LEU 98 HG LEU 98 0.469 4.239 -1.321 748 HD11 LEU 98 1HD1 LEU 98 1.298 2.498 -2.589 749 HD12 LEU 98 2HD1 LEU 98 2.246 1.821 -1.243 750 HD13 LEU 98 3HD1 LEU 98 0.476 1.631 -1.270 751 HD21 LEU 98 1HD2 LEU 98 1.273 3.569 1.400 752 HD22 LEU 98 2HD2 LEU 98 -0.303 4.096 0.763 753 HD23 LEU 98 3HD2 LEU 98 0.150 2.376 0.705 754 H GLN 99 H GLN 99 3.059 7.764 -1.109 755 HA GLN 99 HA GLN 99 5.812 7.584 -1.074 756 HB2 GLN 99 1HB GLN 99 3.768 9.597 -1.809 757 HB3 GLN 99 2HB GLN 99 5.296 10.306 -1.323 758 HG2 GLN 99 1HG GLN 99 6.302 8.396 -2.926 759 HG3 GLN 99 2HG GLN 99 4.706 8.472 -3.646 760 HE21 GLN 99 1HE2 GLN 99 6.326 9.127 -5.406 761 HE22 GLN 99 2HE2 GLN 99 6.572 10.825 -5.641 762 H GLY 100 H GLY 100 7.230 7.769 0.600 763 HA2 GLY 100 1HA GLY 100 8.228 8.975 2.323 764 HA3 GLY 100 2HA GLY 100 6.713 9.791 2.656 765 H ALA 101 H ALA 101 5.067 7.298 2.573 766 HA ALA 101 HA ALA 101 5.249 6.623 5.280 767 HB1 ALA 101 1HB ALA 101 3.159 6.489 4.068 768 HB2 ALA 101 2HB ALA 101 3.846 5.321 2.914 769 HB3 ALA 101 3HB ALA 101 3.586 4.848 4.610 770 H THR 102 H THR 102 6.039 4.762 6.349 771 HA THR 102 HA THR 102 8.321 3.578 5.074 772 HB THR 102 HB THR 102 8.802 2.820 7.284 773 HG1 THR 102 1HG THR 102 6.919 2.580 8.774 774 HG21 THR 102 1HG2 THR 102 8.152 5.450 7.074 775 HG22 THR 102 2HG2 THR 102 6.859 4.939 8.186 776 HG23 THR 102 3HG2 THR 102 8.565 4.708 8.639 777 H PHE 103 H PHE 103 8.595 1.057 5.532 778 HA PHE 103 HA PHE 103 6.940 -0.189 3.696 779 HB2 PHE 103 1HB PHE 103 9.236 -0.917 4.411 780 HB3 PHE 103 2HB PHE 103 8.651 -1.225 6.034 781 HD1 PHE 103 1HD PHE 103 8.458 -2.381 2.531 782 HD2 PHE 103 2HD PHE 103 7.609 -3.283 6.590 783 HE1 PHE 103 1HE PHE 103 7.949 -4.756 1.897 784 HE2 PHE 103 2HE PHE 103 7.099 -5.658 5.955 785 HZ PHE 103 HZ PHE 103 7.275 -6.365 3.616 786 H GLU 104 H GLU 104 6.915 -0.289 7.321 787 HA GLU 104 HA GLU 104 4.835 -2.112 7.489 788 HB2 GLU 104 1HB GLU 104 5.802 0.033 9.425 789 HB3 GLU 104 2HB GLU 104 4.593 -1.163 9.850 790 HG2 GLU 104 1HG GLU 104 6.888 -2.469 8.602 791 HG3 GLU 104 2HG GLU 104 7.426 -1.462 9.931 792 H GLU 105 H GLU 105 4.902 1.487 7.329 793 HA GLU 105 HA GLU 105 2.230 1.880 7.895 794 HB2 GLU 105 1HB GLU 105 4.349 3.457 6.431 795 HB3 GLU 105 2HB GLU 105 2.693 4.028 6.391 796 HG2 GLU 105 1HG GLU 105 2.755 3.691 9.005 797 HG3 GLU 105 2HG GLU 105 4.496 3.656 8.806 798 H VAL 106 H VAL 106 3.919 1.667 4.679 799 HA VAL 106 HA VAL 106 1.679 1.915 3.097 800 HB VAL 106 HB VAL 106 4.306 0.479 2.759 801 HG11 VAL 106 1HG1 VAL 106 2.530 -0.610 1.360 802 HG12 VAL 106 2HG1 VAL 106 2.271 0.959 0.560 803 HG13 VAL 106 3HG1 VAL 106 3.845 0.139 0.424 804 HG21 VAL 106 1HG2 VAL 106 3.177 3.155 1.965 805 HG22 VAL 106 2HG2 VAL 106 4.717 2.767 2.769 806 HG23 VAL 106 3HG2 VAL 106 4.508 2.428 1.034 807 H TYR 107 H TYR 107 3.046 -0.960 4.772 808 HA TYR 107 HA TYR 107 1.322 -2.825 3.557 809 HB2 TYR 107 1HB TYR 107 3.550 -3.039 4.955 810 HB3 TYR 107 2HB TYR 107 2.549 -2.826 6.378 811 HD1 TYR 107 2HD TYR 107 0.404 -4.479 6.425 812 HD2 TYR 107 1HD TYR 107 4.063 -5.211 4.332 813 HE1 TYR 107 2HE TYR 107 -0.069 -6.977 6.459 814 HE2 TYR 107 1HE TYR 107 3.578 -7.707 4.373 815 HH TYR 107 HH TYR 107 2.118 -9.247 4.833 816 H ASN 108 H ASN 108 1.229 -1.209 6.815 817 HA ASN 108 HA ASN 108 -0.933 -2.316 7.853 818 HB2 ASN 108 1HB ASN 108 0.255 0.420 7.942 819 HB3 ASN 108 2HB ASN 108 -1.422 0.362 8.448 820 HD21 ASN 108 1HD2 ASN 108 1.833 -0.709 9.064 821 HD22 ASN 108 2HD2 ASN 108 1.603 -1.309 10.672 822 H ILE 109 H ILE 109 -0.813 0.248 5.308 823 HA ILE 109 HA ILE 109 -3.499 0.880 5.206 824 HB ILE 109 HB ILE 109 -1.228 0.968 3.261 825 HG12 ILE 109 1HG1 ILE 109 -2.825 3.362 3.946 826 HG13 ILE 109 2HG1 ILE 109 -1.993 2.617 5.297 827 HG21 ILE 109 1HG2 ILE 109 -4.072 0.975 2.564 828 HG22 ILE 109 2HG2 ILE 109 -3.206 2.436 2.027 829 HG23 ILE 109 3HG2 ILE 109 -2.630 0.827 1.529 830 HD11 ILE 109 1HD1 ILE 109 -0.828 4.389 3.544 831 HD12 ILE 109 2HD1 ILE 109 0.078 3.207 4.518 832 HD13 ILE 109 3HD1 ILE 109 -0.346 2.831 2.831 833 H ILE 110 H ILE 110 -1.765 -1.352 2.915 834 HA ILE 110 HA ILE 110 -3.957 -2.399 1.711 835 HB ILE 110 HB ILE 110 -1.312 -3.660 2.415 836 HG12 ILE 110 1HG1 ILE 110 -1.887 -3.051 -0.382 837 HG13 ILE 110 2HG1 ILE 110 -1.989 -1.626 0.631 838 HG21 ILE 110 1HG2 ILE 110 -1.758 -5.430 0.870 839 HG22 ILE 110 2HG2 ILE 110 -3.087 -5.385 2.053 840 HG23 ILE 110 3HG2 ILE 110 -3.326 -4.720 0.419 841 HD11 ILE 110 1HD1 ILE 110 0.346 -3.524 0.969 842 HD12 ILE 110 2HD1 ILE 110 0.345 -2.339 -0.359 843 HD13 ILE 110 3HD1 ILE 110 0.256 -1.784 1.330 844 H LEU 111 H LEU 111 -2.806 -2.926 5.008 845 HA LEU 111 HA LEU 111 -4.343 -5.296 5.410 846 HB2 LEU 111 1HB LEU 111 -2.324 -3.832 6.761 847 HB3 LEU 111 2HB LEU 111 -3.697 -3.935 7.845 848 HG LEU 111 HG LEU 111 -2.167 -6.221 6.588 849 HD11 LEU 111 1HD1 LEU 111 -2.149 -4.878 9.191 850 HD12 LEU 111 2HD1 LEU 111 -2.320 -6.646 9.303 851 HD13 LEU 111 3HD1 LEU 111 -0.938 -5.939 8.431 852 HD21 LEU 111 1HD2 LEU 111 -4.936 -6.143 7.523 853 HD22 LEU 111 2HD2 LEU 111 -4.072 -7.381 6.581 854 HD23 LEU 111 3HD2 LEU 111 -3.948 -7.367 8.357 855 H GLU 112 H GLU 112 -4.627 -1.927 6.760 856 HA GLU 112 HA GLU 112 -7.071 -2.254 7.876 857 HB2 GLU 112 1HB GLU 112 -5.993 0.256 6.517 858 HB3 GLU 112 2HB GLU 112 -7.292 0.224 7.692 859 HG2 GLU 112 1HG GLU 112 -5.298 -1.189 9.018 860 HG3 GLU 112 2HG GLU 112 -4.361 -0.019 8.111 861 H SER 113 H SER 113 -6.232 -2.177 4.490 862 HA SER 113 HA SER 113 -8.951 -1.540 3.748 863 HB2 SER 113 1HB SER 113 -6.874 -2.288 1.710 864 HB3 SER 113 2HB SER 113 -8.140 -1.079 1.613 865 HG SER 113 HG SER 113 -6.369 0.179 1.897 866 H LYS 114 H LYS 114 -8.136 -4.072 5.200 867 HA LYS 114 HA LYS 114 -8.224 -6.165 3.273 868 HB2 LYS 114 1HB LYS 114 -8.019 -5.893 6.208 869 HB3 LYS 114 2HB LYS 114 -8.859 -7.332 5.666 870 HG2 LYS 114 1HG LYS 114 -6.895 -7.731 4.049 871 HG3 LYS 114 2HG LYS 114 -6.050 -6.439 4.880 872 HD2 LYS 114 1HD LYS 114 -5.418 -8.646 5.814 873 HD3 LYS 114 2HD LYS 114 -6.213 -7.663 7.027 874 HE2 LYS 114 1HE LYS 114 -7.958 -9.122 7.223 875 HE3 LYS 114 2HE LYS 114 -8.155 -9.253 5.487 876 HZ1 LYS 114 1HZ LYS 114 -6.188 -10.695 7.123 877 HZ2 LYS 114 2HZ LYS 114 -7.481 -11.334 6.358 878 HZ3 LYS 114 3HZ LYS 114 -6.228 -10.747 5.491 879 HA PRO 115 HA PRO 115 -12.738 -6.273 4.670 880 HB2 PRO 115 1HB PRO 115 -13.759 -4.232 6.173 881 HB3 PRO 115 2HB PRO 115 -13.176 -5.732 6.865 882 HG2 PRO 115 1HG PRO 115 -11.890 -3.070 6.861 883 HG3 PRO 115 2HG PRO 115 -11.551 -4.451 7.884 884 HD2 PRO 115 1HD PRO 115 -10.003 -3.555 5.641 885 HD3 PRO 115 2HD PRO 115 -9.729 -5.001 6.593 886 H GLU 116 H GLU 116 -11.308 -3.279 3.777 887 HA GLU 116 HA GLU 116 -13.318 -1.887 2.754 888 HB2 GLU 116 1HB GLU 116 -10.471 -2.266 2.064 889 HB3 GLU 116 2HB GLU 116 -11.426 -1.697 0.710 890 HG2 GLU 116 1HG GLU 116 -11.971 -0.339 3.319 891 HG3 GLU 116 2HG GLU 116 -10.379 -0.053 2.645 892 HA PRO 117 HA PRO 117 -15.167 -4.306 -0.346 893 HB2 PRO 117 1HB PRO 117 -16.625 -2.395 -1.647 894 HB3 PRO 117 2HB PRO 117 -17.151 -3.154 -0.158 895 HG2 PRO 117 1HG PRO 117 -16.052 -0.441 -0.568 896 HG3 PRO 117 2HG PRO 117 -16.963 -1.061 0.794 897 HD2 PRO 117 1HD PRO 117 -14.133 -0.608 0.686 898 HD3 PRO 117 2HD PRO 117 -15.028 -1.337 2.005 899 H GLN 118 H GLN 118 -13.358 -1.484 -1.245 900 HA GLN 118 HA GLN 118 -12.464 -2.997 -3.540 901 HB2 GLN 118 1HB GLN 118 -12.930 -1.330 -5.140 902 HB3 GLN 118 2HB GLN 118 -14.380 -1.352 -4.156 903 HG2 GLN 118 1HG GLN 118 -12.993 0.491 -2.743 904 HG3 GLN 118 2HG GLN 118 -12.203 0.724 -4.290 905 HE21 GLN 118 1HE2 GLN 118 -13.708 0.864 -6.205 906 HE22 GLN 118 2HE2 GLN 118 -15.136 1.830 -6.036 907 H VAL 119 H VAL 119 -10.518 -1.703 -4.622 908 HA VAL 119 HA VAL 119 -9.096 -0.118 -2.642 909 HB VAL 119 HB VAL 119 -7.759 -2.490 -3.924 910 HG11 VAL 119 1HG1 VAL 119 -6.559 -0.433 -2.830 911 HG12 VAL 119 2HG1 VAL 119 -7.016 -1.220 -1.300 912 HG13 VAL 119 3HG1 VAL 119 -5.995 -2.083 -2.475 913 HG21 VAL 119 1HG2 VAL 119 -9.017 -2.461 -1.161 914 HG22 VAL 119 2HG2 VAL 119 -9.702 -3.289 -2.580 915 HG23 VAL 119 3HG2 VAL 119 -8.128 -3.801 -1.924 916 H GLU 120 H GLU 120 -8.286 1.643 -3.653 917 HA GLU 120 HA GLU 120 -8.002 1.429 -6.540 918 HB2 GLU 120 1HB GLU 120 -9.575 3.158 -5.780 919 HB3 GLU 120 2HB GLU 120 -8.357 3.862 -4.736 920 HG2 GLU 120 1HG GLU 120 -6.960 3.984 -7.036 921 HG3 GLU 120 2HG GLU 120 -8.563 3.950 -7.743 922 H LEU 121 H LEU 121 -5.924 0.902 -7.099 923 HA LEU 121 HA LEU 121 -3.770 2.031 -5.479 924 HB2 LEU 121 1HB LEU 121 -4.009 -0.328 -7.317 925 HB3 LEU 121 2HB LEU 121 -2.437 0.357 -6.957 926 HG LEU 121 HG LEU 121 -2.531 -0.249 -4.702 927 HD11 LEU 121 1HD1 LEU 121 -5.521 -0.486 -5.059 928 HD12 LEU 121 2HD1 LEU 121 -4.661 -1.135 -3.642 929 HD13 LEU 121 3HD1 LEU 121 -4.610 0.610 -3.992 930 HD21 LEU 121 1HD2 LEU 121 -3.744 -2.689 -4.937 931 HD22 LEU 121 2HD2 LEU 121 -3.425 -2.273 -6.638 932 HD23 LEU 121 3HD2 LEU 121 -2.088 -2.308 -5.464 933 H VAL 122 H VAL 122 -1.807 2.835 -6.687 934 HA VAL 122 HA VAL 122 -2.405 3.823 -9.350 935 HB VAL 122 HB VAL 122 -2.604 5.978 -8.848 936 HG11 VAL 122 1HG1 VAL 122 -3.613 6.502 -6.717 937 HG12 VAL 122 2HG1 VAL 122 -4.157 4.884 -7.223 938 HG13 VAL 122 3HG1 VAL 122 -2.901 5.050 -5.973 939 HG21 VAL 122 1HG2 VAL 122 -0.281 5.458 -7.037 940 HG22 VAL 122 2HG2 VAL 122 -0.460 6.631 -8.363 941 HG23 VAL 122 3HG2 VAL 122 -1.226 6.945 -6.787 942 H VAL 123 H VAL 123 -0.550 4.055 -10.613 943 HA VAL 123 HA VAL 123 1.999 3.702 -9.217 944 HB VAL 123 HB VAL 123 2.410 2.265 -11.469 945 HG11 VAL 123 1HG1 VAL 123 2.029 0.228 -9.981 946 HG12 VAL 123 2HG1 VAL 123 3.136 1.475 -9.356 947 HG13 VAL 123 3HG1 VAL 123 1.471 1.369 -8.734 948 HG21 VAL 123 1HG2 VAL 123 0.499 0.680 -11.705 949 HG22 VAL 123 2HG2 VAL 123 -0.470 1.748 -10.662 950 HG23 VAL 123 3HG2 VAL 123 0.118 2.335 -12.236 951 H SER 124 H SER 124 3.750 4.791 -10.178 952 HA SER 124 HA SER 124 2.902 6.611 -12.285 953 HB2 SER 124 1HB SER 124 3.624 7.949 -10.503 954 HB3 SER 124 2HB SER 124 4.861 6.812 -10.004 955 HG SER 124 HG SER 124 6.243 7.531 -11.585 956 H ARG 125 H ARG 125 3.813 6.408 -14.309 957 HA ARG 125 HA ARG 125 6.124 4.646 -14.458 958 HB2 ARG 125 1HB ARG 125 3.618 4.626 -15.860 959 HB3 ARG 125 2HB ARG 125 4.837 5.072 -17.037 960 HG2 ARG 125 1HG ARG 125 6.071 3.059 -16.717 961 HG3 ARG 125 2HG ARG 125 5.329 2.737 -15.162 962 HD2 ARG 125 1HD ARG 125 3.107 2.769 -16.819 963 HD3 ARG 125 2HD ARG 125 4.326 2.124 -17.900 964 HE ARG 125 HE ARG 125 4.283 0.882 -15.228 965 HH11 ARG 125 2HH2 ARG 125 3.108 0.739 -18.542 966 HH12 ARG 125 1HH2 ARG 125 2.713 -0.946 -18.465 967 HH21 ARG 125 2HH1 ARG 125 3.761 -1.341 -15.126 968 HH22 ARG 125 1HH1 ARG 125 3.087 -2.137 -16.508 969 H SER 126 H SER 126 7.616 5.151 -16.416 970 HA SER 126 HA SER 126 7.761 8.052 -16.686 971 HB2 SER 126 1HB SER 126 10.118 7.927 -16.645 972 HB3 SER 126 2HB SER 126 9.631 6.764 -15.429 973 HG SER 126 HG SER 126 11.284 5.941 -16.898 974 H GLY 127 H GLY 127 6.878 8.553 -18.676 975 HA2 GLY 127 1HA GLY 127 7.013 6.721 -20.885 976 HA3 GLY 127 2HA GLY 127 6.319 8.330 -20.864 977 HA PRO 128 HA PRO 128 10.217 8.612 -23.176 978 HB2 PRO 128 1HB PRO 128 9.206 9.680 -25.480 979 HB3 PRO 128 2HB PRO 128 9.470 7.962 -25.255 980 HG2 PRO 128 1HG PRO 128 6.924 9.465 -25.228 981 HG3 PRO 128 2HG PRO 128 7.181 7.743 -25.431 982 HD2 PRO 128 1HD PRO 128 6.269 9.074 -23.060 983 HD3 PRO 128 2HD PRO 128 6.636 7.369 -23.229 984 H SER 129 H SER 129 11.463 10.142 -22.316 985 HA SER 129 HA SER 129 10.307 12.813 -22.531 986 HB2 SER 129 1HB SER 129 11.358 13.416 -20.434 987 HB3 SER 129 2HB SER 129 10.448 11.942 -20.172 988 HG SER 129 HG SER 129 12.351 10.723 -20.165 989 H SER 130 H SER 130 11.902 14.582 -22.865 990 HA SER 130 HA SER 130 13.735 13.943 -24.810 991 HB2 SER 130 1HB SER 130 12.653 16.209 -24.290 992 HB3 SER 130 2HB SER 130 13.842 16.405 -23.019 993 HG SER 130 HG SER 130 15.386 16.820 -24.468 994 H GLY 131 H GLY 131 16.078 13.871 -24.810 995 HA2 GLY 131 1HA GLY 131 18.153 13.978 -23.697 996 HA3 GLY 131 2HA GLY 131 17.354 13.699 -22.163 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -52.732 8.140 -5.646 2 HA2 GLY 1 1HA GLY 1 -52.496 8.955 -7.858 3 HA3 GLY 1 2HA GLY 1 -51.553 10.015 -6.829 4 H SER 2 H SER 2 -50.913 9.867 -9.527 5 HA SER 2 HA SER 2 -48.448 8.311 -9.427 6 HB2 SER 2 1HB SER 2 -48.645 8.169 -11.954 7 HB3 SER 2 2HB SER 2 -49.854 7.258 -11.070 8 HG SER 2 HG SER 2 -50.669 9.877 -11.572 9 H SER 3 H SER 3 -46.544 9.355 -10.247 10 HA SER 3 HA SER 3 -46.770 11.890 -11.485 11 HB2 SER 3 1HB SER 3 -46.955 12.058 -8.766 12 HB3 SER 3 2HB SER 3 -45.212 12.101 -8.940 13 HG SER 3 HG SER 3 -45.395 13.932 -10.324 14 H GLY 4 H GLY 4 -44.500 12.795 -11.958 15 HA2 GLY 4 1HA GLY 4 -42.744 10.563 -12.579 16 HA3 GLY 4 2HA GLY 4 -42.618 12.219 -13.141 17 H SER 5 H SER 5 -40.978 10.003 -11.389 18 HA SER 5 HA SER 5 -39.306 11.877 -10.237 19 HB2 SER 5 1HB SER 5 -41.468 10.803 -8.463 20 HB3 SER 5 2HB SER 5 -39.856 10.849 -7.778 21 HG SER 5 HG SER 5 -39.803 13.052 -7.891 22 H SER 6 H SER 6 -37.935 10.410 -11.499 23 HA SER 6 HA SER 6 -36.778 8.439 -9.914 24 HB2 SER 6 1HB SER 6 -38.916 7.253 -10.720 25 HB3 SER 6 2HB SER 6 -38.236 7.304 -12.334 26 HG SER 6 HG SER 6 -36.862 5.720 -11.845 27 H GLY 7 H GLY 7 -34.848 7.483 -11.014 28 HA2 GLY 7 1HA GLY 7 -34.160 8.003 -13.673 29 HA3 GLY 7 2HA GLY 7 -33.567 9.337 -12.703 30 H HIS 8 H HIS 8 -32.244 8.756 -10.695 31 HA HIS 8 HA HIS 8 -30.395 7.866 -9.907 32 HB2 HIS 8 1HB HIS 8 -32.035 5.407 -10.499 33 HB3 HIS 8 2HB HIS 8 -30.440 5.273 -9.785 34 HD1 HIS 8 1HD HIS 8 -30.326 5.451 -7.285 35 HD2 HIS 8 2HD HIS 8 -33.846 7.119 -8.842 36 HE1 HIS 8 1HE HIS 8 -31.759 6.101 -5.276 37 H SER 9 H SER 9 -28.725 8.542 -11.225 38 HA SER 9 HA SER 9 -28.263 6.952 -13.609 39 HB2 SER 9 1HB SER 9 -26.984 8.790 -14.453 40 HB3 SER 9 2HB SER 9 -28.411 9.498 -13.722 41 HG SER 9 HG SER 9 -26.160 10.427 -13.211 42 H HIS 10 H HIS 10 -26.301 5.807 -13.919 43 HA HIS 10 HA HIS 10 -24.657 5.633 -11.506 44 HB2 HIS 10 1HB HIS 10 -25.986 3.638 -12.760 45 HB3 HIS 10 2HB HIS 10 -24.463 3.557 -13.623 46 HD1 HIS 10 1HD HIS 10 -24.119 1.186 -12.448 47 HD2 HIS 10 2HD HIS 10 -24.107 4.497 -9.873 48 HE1 HIS 10 1HE HIS 10 -23.132 0.371 -10.240 49 H SER 11 H SER 11 -22.280 4.795 -12.195 50 HA SER 11 HA SER 11 -21.362 5.863 -14.641 51 HB2 SER 11 1HB SER 11 -21.447 7.637 -12.355 52 HB3 SER 11 2HB SER 11 -19.770 7.311 -12.746 53 HG SER 11 HG SER 11 -21.761 8.649 -14.268 54 H ASP 12 H ASP 12 -20.779 3.501 -14.518 55 HA ASP 12 HA ASP 12 -18.335 3.196 -12.958 56 HB2 ASP 12 1HB ASP 12 -20.755 1.515 -13.119 57 HB3 ASP 12 2HB ASP 12 -19.304 0.605 -13.490 58 H LYS 13 H LYS 13 -17.271 3.997 -15.001 59 HA LYS 13 HA LYS 13 -17.636 2.490 -17.402 60 HB2 LYS 13 1HB LYS 13 -16.128 4.888 -16.527 61 HB3 LYS 13 2HB LYS 13 -15.388 3.967 -17.821 62 HG2 LYS 13 1HG LYS 13 -18.243 4.180 -18.325 63 HG3 LYS 13 2HG LYS 13 -17.600 5.778 -17.999 64 HD2 LYS 13 1HD LYS 13 -15.652 4.673 -19.671 65 HD3 LYS 13 2HD LYS 13 -17.133 3.999 -20.321 66 HE2 LYS 13 1HE LYS 13 -18.104 6.367 -20.335 67 HE3 LYS 13 2HE LYS 13 -16.516 6.959 -19.891 68 HZ1 LYS 13 1HZ LYS 13 -17.203 5.465 -22.324 69 HZ2 LYS 13 2HZ LYS 13 -16.730 7.026 -22.228 70 HZ3 LYS 13 3HZ LYS 13 -15.671 5.829 -21.890 71 H HIS 14 H HIS 14 -14.337 3.217 -16.378 72 HA HIS 14 HA HIS 14 -13.886 0.328 -16.178 73 HB2 HIS 14 1HB HIS 14 -11.846 2.346 -17.121 74 HB3 HIS 14 2HB HIS 14 -11.779 0.599 -17.244 75 HD1 HIS 14 1HD HIS 14 -13.080 -0.535 -19.187 76 HD2 HIS 14 2HD HIS 14 -13.481 3.639 -19.063 77 HE1 HIS 14 1HE HIS 14 -14.137 0.148 -21.407 78 HA PRO 15 HA PRO 15 -12.352 1.214 -12.225 79 HB2 PRO 15 1HB PRO 15 -11.077 -1.140 -11.677 80 HB3 PRO 15 2HB PRO 15 -12.807 -0.923 -11.499 81 HG2 PRO 15 1HG PRO 15 -11.327 -2.363 -13.615 82 HG3 PRO 15 2HG PRO 15 -13.020 -2.487 -13.182 83 HD2 PRO 15 1HD PRO 15 -11.923 -1.093 -15.436 84 HD3 PRO 15 2HD PRO 15 -13.603 -1.121 -14.937 85 H VAL 16 H VAL 16 -10.084 -0.106 -14.551 86 HA VAL 16 HA VAL 16 -7.971 1.358 -13.155 87 HB VAL 16 HB VAL 16 -6.453 -0.088 -14.142 88 HG11 VAL 16 1HG1 VAL 16 -7.455 -2.415 -13.883 89 HG12 VAL 16 2HG1 VAL 16 -7.615 -1.326 -12.484 90 HG13 VAL 16 3HG1 VAL 16 -9.007 -1.606 -13.557 91 HG21 VAL 16 1HG2 VAL 16 -6.926 -1.551 -16.061 92 HG22 VAL 16 2HG2 VAL 16 -8.584 -0.910 -16.145 93 HG23 VAL 16 3HG2 VAL 16 -7.199 0.161 -16.465 94 H THR 17 H THR 17 -6.719 2.944 -14.217 95 HA THR 17 HA THR 17 -7.391 3.591 -16.964 96 HB THR 17 HB THR 17 -7.675 6.082 -15.874 97 HG1 THR 17 1HG THR 17 -8.992 5.629 -13.899 98 HG21 THR 17 1HG2 THR 17 -9.365 4.572 -17.278 99 HG22 THR 17 2HG2 THR 17 -10.066 4.225 -15.679 100 HG23 THR 17 3HG2 THR 17 -9.998 5.900 -16.277 101 H TRP 18 H TRP 18 -5.578 4.045 -18.038 102 HA TRP 18 HA TRP 18 -3.278 4.878 -16.410 103 HB2 TRP 18 1HB TRP 18 -3.460 3.296 -18.973 104 HB3 TRP 18 2HB TRP 18 -1.963 4.001 -18.395 105 HD1 TRP 18 HD TRP 18 -4.466 1.204 -17.498 106 HE1 TRP 18 1HE TRP 18 -3.403 -0.523 -15.810 107 HE3 TRP 18 3HE TRP 18 -0.219 3.863 -16.636 108 HZ2 TRP 18 2HZ TRP 18 -0.960 -0.582 -14.336 109 HZ3 TRP 18 3HZ TRP 18 1.454 2.900 -15.059 110 HH2 TRP 18 HH TRP 18 1.138 0.757 -13.926 111 H GLN 19 H GLN 19 -3.058 7.078 -16.522 112 HA GLN 19 HA GLN 19 -3.269 8.232 -19.182 113 HB2 GLN 19 1HB GLN 19 -4.211 9.830 -16.801 114 HB3 GLN 19 2HB GLN 19 -4.636 10.014 -18.492 115 HG2 GLN 19 1HG GLN 19 -6.567 8.949 -17.843 116 HG3 GLN 19 2HG GLN 19 -5.608 7.503 -18.085 117 HE21 GLN 19 1HE2 GLN 19 -7.620 9.039 -16.024 118 HE22 GLN 19 2HE2 GLN 19 -7.173 8.330 -14.507 119 HA PRO 20 HA PRO 20 0.482 10.096 -18.049 120 HB2 PRO 20 1HB PRO 20 0.596 12.208 -19.780 121 HB3 PRO 20 2HB PRO 20 1.003 10.567 -20.242 122 HG2 PRO 20 1HG PRO 20 -1.428 12.123 -20.880 123 HG3 PRO 20 2HG PRO 20 -0.812 10.680 -21.660 124 HD2 PRO 20 1HD PRO 20 -3.003 10.832 -19.815 125 HD3 PRO 20 2HD PRO 20 -2.314 9.377 -20.505 126 H SER 21 H SER 21 1.613 11.901 -17.051 127 HA SER 21 HA SER 21 -0.199 13.130 -15.257 128 HB2 SER 21 1HB SER 21 1.787 14.025 -14.183 129 HB3 SER 21 2HB SER 21 2.108 12.362 -14.631 130 HG SER 21 HG SER 21 3.012 14.760 -15.970 131 H LYS 22 H LYS 22 0.248 15.659 -14.799 132 HA LYS 22 HA LYS 22 -0.914 17.121 -16.722 133 HB2 LYS 22 1HB LYS 22 0.175 17.614 -14.247 134 HB3 LYS 22 2HB LYS 22 1.189 18.601 -15.280 135 HG2 LYS 22 1HG LYS 22 -0.522 20.040 -15.819 136 HG3 LYS 22 2HG LYS 22 -1.707 18.755 -15.938 137 HD2 LYS 22 1HD LYS 22 -0.963 18.885 -13.182 138 HD3 LYS 22 2HD LYS 22 -1.172 20.545 -13.703 139 HE2 LYS 22 1HE LYS 22 -3.439 20.314 -13.940 140 HE3 LYS 22 2HE LYS 22 -3.295 18.756 -14.729 141 HZ1 LYS 22 1HZ LYS 22 -2.870 17.792 -12.544 142 HZ2 LYS 22 2HZ LYS 22 -3.105 19.246 -11.839 143 HZ3 LYS 22 3HZ LYS 22 -4.336 18.509 -12.619 144 H ASP 23 H ASP 23 2.661 16.653 -16.330 145 HA ASP 23 HA ASP 23 3.252 18.165 -18.604 146 HB2 ASP 23 1HB ASP 23 4.679 17.001 -16.520 147 HB3 ASP 23 2HB ASP 23 5.152 15.996 -17.875 148 H GLY 24 H GLY 24 3.615 14.586 -17.955 149 HA2 GLY 24 1HA GLY 24 2.332 13.179 -19.600 150 HA3 GLY 24 2HA GLY 24 3.165 14.100 -20.836 151 H ASP 25 H ASP 25 5.688 14.337 -19.187 152 HA ASP 25 HA ASP 25 7.073 12.280 -20.246 153 HB2 ASP 25 1HB ASP 25 7.481 14.197 -17.990 154 HB3 ASP 25 2HB ASP 25 8.519 12.786 -17.953 155 H ARG 26 H ARG 26 4.987 12.372 -17.404 156 HA ARG 26 HA ARG 26 5.973 9.745 -16.633 157 HB2 ARG 26 1HB ARG 26 4.662 11.996 -15.072 158 HB3 ARG 26 2HB ARG 26 4.546 10.354 -14.472 159 HG2 ARG 26 1HG ARG 26 7.260 11.400 -15.298 160 HG3 ARG 26 2HG ARG 26 6.586 11.936 -13.772 161 HD2 ARG 26 1HD ARG 26 6.793 9.854 -12.784 162 HD3 ARG 26 2HD ARG 26 6.401 8.993 -14.260 163 HE ARG 26 HE ARG 26 8.879 10.124 -14.808 164 HH11 ARG 26 2HH2 ARG 26 7.631 8.044 -12.258 165 HH12 ARG 26 1HH2 ARG 26 9.152 7.264 -11.975 166 HH21 ARG 26 2HH1 ARG 26 10.885 9.095 -14.434 167 HH22 ARG 26 1HH1 ARG 26 11.015 7.866 -13.221 168 H LEU 27 H LEU 27 4.285 8.130 -15.961 169 HA LEU 27 HA LEU 27 1.705 8.695 -17.250 170 HB2 LEU 27 1HB LEU 27 3.590 6.894 -18.114 171 HB3 LEU 27 2HB LEU 27 2.547 5.888 -17.127 172 HG LEU 27 HG LEU 27 1.447 5.642 -19.083 173 HD11 LEU 27 1HD1 LEU 27 0.137 7.299 -17.395 174 HD12 LEU 27 2HD1 LEU 27 0.140 8.289 -18.875 175 HD13 LEU 27 3HD1 LEU 27 -0.559 6.652 -18.900 176 HD21 LEU 27 1HD2 LEU 27 1.338 7.601 -20.803 177 HD22 LEU 27 2HD2 LEU 27 2.699 8.256 -19.861 178 HD23 LEU 27 3HD2 LEU 27 2.835 6.654 -20.625 179 H ILE 28 H ILE 28 0.056 8.741 -15.829 180 HA ILE 28 HA ILE 28 0.502 7.505 -13.229 181 HB ILE 28 HB ILE 28 -1.743 9.320 -14.100 182 HG12 ILE 28 1HG1 ILE 28 0.264 10.546 -14.523 183 HG13 ILE 28 2HG1 ILE 28 -0.427 11.146 -13.029 184 HG21 ILE 28 1HG2 ILE 28 -0.942 9.481 -11.330 185 HG22 ILE 28 2HG2 ILE 28 -2.531 9.102 -12.037 186 HG23 ILE 28 3HG2 ILE 28 -1.342 7.804 -11.772 187 HD11 ILE 28 1HD1 ILE 28 1.142 9.712 -11.719 188 HD12 ILE 28 2HD1 ILE 28 1.850 9.122 -13.241 189 HD13 ILE 28 3HD1 ILE 28 2.012 10.836 -12.790 190 H GLY 29 H GLY 29 -0.082 5.411 -13.043 191 HA2 GLY 29 1HA GLY 29 -2.344 4.459 -14.671 192 HA3 GLY 29 2HA GLY 29 -1.077 3.476 -13.965 193 H ARG 30 H ARG 30 -4.223 3.721 -13.726 194 HA ARG 30 HA ARG 30 -4.202 3.706 -10.813 195 HB2 ARG 30 1HB ARG 30 -5.832 5.210 -12.632 196 HB3 ARG 30 2HB ARG 30 -6.883 4.001 -11.921 197 HG2 ARG 30 1HG ARG 30 -6.095 4.703 -9.630 198 HG3 ARG 30 2HG ARG 30 -5.114 5.952 -10.371 199 HD2 ARG 30 1HD ARG 30 -7.648 6.360 -11.521 200 HD3 ARG 30 2HD ARG 30 -8.024 5.914 -9.868 201 HE ARG 30 HE ARG 30 -7.129 7.949 -9.146 202 HH11 ARG 30 2HH2 ARG 30 -5.939 7.266 -12.386 203 HH12 ARG 30 1HH2 ARG 30 -5.164 8.805 -12.564 204 HH21 ARG 30 2HH1 ARG 30 -6.107 9.980 -9.380 205 HH22 ARG 30 1HH1 ARG 30 -5.260 10.359 -10.843 206 H ILE 31 H ILE 31 -5.075 1.870 -9.782 207 HA ILE 31 HA ILE 31 -6.371 -0.097 -11.524 208 HB ILE 31 HB ILE 31 -4.021 -0.513 -9.693 209 HG12 ILE 31 1HG1 ILE 31 -3.433 -1.906 -11.880 210 HG13 ILE 31 2HG1 ILE 31 -4.564 -0.793 -12.623 211 HG21 ILE 31 1HG2 ILE 31 -4.334 -2.873 -9.764 212 HG22 ILE 31 2HG2 ILE 31 -5.857 -2.153 -9.188 213 HG23 ILE 31 3HG2 ILE 31 -5.721 -2.722 -10.870 214 HD11 ILE 31 1HD1 ILE 31 -2.589 0.471 -10.777 215 HD12 ILE 31 2HD1 ILE 31 -1.910 -0.240 -12.262 216 HD13 ILE 31 3HD1 ILE 31 -3.168 1.014 -12.370 217 H LEU 32 H LEU 32 -8.413 -0.288 -10.783 218 HA LEU 32 HA LEU 32 -8.782 -0.074 -7.878 219 HB2 LEU 32 1HB LEU 32 -9.948 1.668 -8.931 220 HB3 LEU 32 2HB LEU 32 -10.530 0.632 -10.219 221 HG LEU 32 HG LEU 32 -11.727 -0.611 -8.175 222 HD11 LEU 32 1HD1 LEU 32 -10.575 1.232 -6.675 223 HD12 LEU 32 2HD1 LEU 32 -11.988 2.193 -7.171 224 HD13 LEU 32 3HD1 LEU 32 -12.218 0.644 -6.326 225 HD21 LEU 32 1HD2 LEU 32 -12.481 1.220 -10.210 226 HD22 LEU 32 2HD2 LEU 32 -13.481 0.002 -9.382 227 HD23 LEU 32 3HD2 LEU 32 -13.377 1.657 -8.735 228 H LEU 33 H LEU 33 -9.050 -1.974 -6.851 229 HA LEU 33 HA LEU 33 -10.074 -4.207 -8.447 230 HB2 LEU 33 1HB LEU 33 -8.344 -4.064 -5.985 231 HB3 LEU 33 2HB LEU 33 -9.121 -5.548 -6.499 232 HG LEU 33 HG LEU 33 -7.129 -5.865 -7.519 233 HD11 LEU 33 1HD1 LEU 33 -7.155 -5.224 -9.881 234 HD12 LEU 33 2HD1 LEU 33 -8.758 -5.773 -9.336 235 HD13 LEU 33 3HD1 LEU 33 -8.437 -4.035 -9.550 236 HD21 LEU 33 1HD2 LEU 33 -5.709 -3.958 -8.419 237 HD22 LEU 33 2HD2 LEU 33 -6.858 -2.859 -7.619 238 HD23 LEU 33 3HD2 LEU 33 -5.928 -4.031 -6.654 239 H ASN 34 H ASN 34 -11.818 -5.482 -7.683 240 HA ASN 34 HA ASN 34 -13.161 -4.383 -5.354 241 HB2 ASN 34 1HB ASN 34 -14.334 -3.419 -7.283 242 HB3 ASN 34 2HB ASN 34 -14.394 -4.973 -8.092 243 HD21 ASN 34 1HD2 ASN 34 -16.133 -2.804 -6.382 244 HD22 ASN 34 2HD2 ASN 34 -17.373 -3.805 -5.705 245 H LYS 35 H LYS 35 -13.667 -6.078 -3.949 246 HA LYS 35 HA LYS 35 -13.484 -8.782 -5.027 247 HB2 LYS 35 1HB LYS 35 -13.531 -7.841 -2.144 248 HB3 LYS 35 2HB LYS 35 -13.213 -9.470 -2.705 249 HG2 LYS 35 1HG LYS 35 -11.018 -8.944 -2.898 250 HG3 LYS 35 2HG LYS 35 -11.424 -7.809 -4.169 251 HD2 LYS 35 1HD LYS 35 -11.423 -5.962 -2.726 252 HD3 LYS 35 2HD LYS 35 -11.849 -6.920 -1.321 253 HE2 LYS 35 1HE LYS 35 -9.652 -6.913 -0.748 254 HE3 LYS 35 2HE LYS 35 -9.353 -7.967 -2.116 255 HZ1 LYS 35 1HZ LYS 35 -9.606 -5.205 -2.806 256 HZ2 LYS 35 2HZ LYS 35 -8.331 -5.528 -1.838 257 HZ3 LYS 35 3HZ LYS 35 -8.484 -6.297 -3.270 258 H ARG 36 H ARG 36 -15.738 -6.400 -3.705 259 HA ARG 36 HA ARG 36 -17.715 -7.796 -2.691 260 HB2 ARG 36 1HB ARG 36 -17.663 -5.439 -4.570 261 HB3 ARG 36 2HB ARG 36 -19.228 -6.156 -4.245 262 HG2 ARG 36 1HG ARG 36 -18.914 -5.857 -1.814 263 HG3 ARG 36 2HG ARG 36 -17.280 -5.274 -2.064 264 HD2 ARG 36 1HD ARG 36 -18.080 -3.274 -3.211 265 HD3 ARG 36 2HD ARG 36 -19.716 -3.897 -3.283 266 HE ARG 36 HE ARG 36 -18.841 -3.808 -0.540 267 HH11 ARG 36 2HH2 ARG 36 -19.864 -1.700 -3.166 268 HH12 ARG 36 1HH2 ARG 36 -20.459 -0.462 -2.111 269 HH21 ARG 36 2HH1 ARG 36 -19.627 -2.175 0.852 270 HH22 ARG 36 1HH1 ARG 36 -20.323 -0.734 0.190 271 H LEU 37 H LEU 37 -18.467 -9.808 -3.320 272 HA LEU 37 HA LEU 37 -18.309 -10.863 -5.844 273 HB2 LEU 37 1HB LEU 37 -20.345 -11.480 -3.699 274 HB3 LEU 37 2HB LEU 37 -19.942 -12.506 -5.062 275 HG LEU 37 HG LEU 37 -17.679 -11.712 -3.304 276 HD11 LEU 37 1HD1 LEU 37 -18.337 -12.654 -1.391 277 HD12 LEU 37 2HD1 LEU 37 -19.991 -12.512 -2.033 278 HD13 LEU 37 3HD1 LEU 37 -19.091 -14.035 -2.222 279 HD21 LEU 37 1HD2 LEU 37 -16.704 -13.362 -4.415 280 HD22 LEU 37 2HD2 LEU 37 -17.907 -14.521 -3.802 281 HD23 LEU 37 3HD2 LEU 37 -18.214 -13.638 -5.316 282 H LYS 38 H LYS 38 -20.538 -11.683 -6.992 283 HA LYS 38 HA LYS 38 -21.467 -9.530 -8.401 284 HB2 LYS 38 1HB LYS 38 -21.767 -12.278 -8.478 285 HB3 LYS 38 2HB LYS 38 -23.401 -11.727 -8.168 286 HG2 LYS 38 1HG LYS 38 -21.737 -10.361 -10.304 287 HG3 LYS 38 2HG LYS 38 -22.520 -11.888 -10.659 288 HD2 LYS 38 1HD LYS 38 -24.222 -9.797 -9.339 289 HD3 LYS 38 2HD LYS 38 -23.743 -9.476 -10.994 290 HE2 LYS 38 1HE LYS 38 -25.527 -10.775 -11.578 291 HE3 LYS 38 2HE LYS 38 -24.505 -12.136 -11.161 292 HZ1 LYS 38 1HZ LYS 38 -25.388 -11.634 -8.801 293 HZ2 LYS 38 2HZ LYS 38 -26.613 -10.900 -9.593 294 HZ3 LYS 38 3HZ LYS 38 -26.307 -12.483 -9.851 295 H ASP 39 H ASP 39 -22.986 -11.168 -5.548 296 HA ASP 39 HA ASP 39 -25.270 -9.732 -5.451 297 HB2 ASP 39 1HB ASP 39 -23.492 -11.024 -3.397 298 HB3 ASP 39 2HB ASP 39 -24.756 -9.971 -2.793 299 H GLY 40 H GLY 40 -21.945 -8.885 -4.374 300 HA2 GLY 40 1HA GLY 40 -21.259 -6.598 -4.470 301 HA3 GLY 40 2HA GLY 40 -22.852 -6.111 -3.925 302 H SER 41 H SER 41 -20.574 -8.682 -2.734 303 HA SER 41 HA SER 41 -20.097 -7.157 -0.368 304 HB2 SER 41 1HB SER 41 -21.558 -9.830 -0.190 305 HB3 SER 41 2HB SER 41 -20.927 -8.936 1.178 306 HG SER 41 HG SER 41 -23.319 -8.635 -0.078 307 H VAL 42 H VAL 42 -18.097 -7.734 0.544 308 HA VAL 42 HA VAL 42 -16.510 -9.541 -0.996 309 HB VAL 42 HB VAL 42 -15.974 -7.943 1.514 310 HG11 VAL 42 1HG1 VAL 42 -13.814 -8.655 1.559 311 HG12 VAL 42 2HG1 VAL 42 -14.528 -10.106 0.816 312 HG13 VAL 42 3HG1 VAL 42 -13.733 -8.883 -0.204 313 HG21 VAL 42 1HG2 VAL 42 -15.913 -6.205 0.111 314 HG22 VAL 42 2HG2 VAL 42 -14.472 -6.943 -0.629 315 HG23 VAL 42 3HG2 VAL 42 -16.085 -7.262 -1.310 316 HA PRO 43 HA PRO 43 -17.301 -13.037 1.444 317 HB2 PRO 43 1HB PRO 43 -15.394 -14.709 0.426 318 HB3 PRO 43 2HB PRO 43 -16.946 -14.444 -0.343 319 HG2 PRO 43 1HG PRO 43 -14.290 -13.404 -1.121 320 HG3 PRO 43 2HG PRO 43 -15.752 -13.511 -2.082 321 HD2 PRO 43 1HD PRO 43 -14.667 -11.152 -0.863 322 HD3 PRO 43 2HD PRO 43 -16.187 -11.281 -1.725 323 H ARG 44 H ARG 44 -15.915 -14.860 2.683 324 HA ARG 44 HA ARG 44 -15.051 -13.739 4.895 325 HB2 ARG 44 1HB ARG 44 -14.199 -16.246 3.443 326 HB3 ARG 44 2HB ARG 44 -13.290 -15.796 4.872 327 HG2 ARG 44 1HG ARG 44 -16.297 -15.739 5.064 328 HG3 ARG 44 2HG ARG 44 -15.521 -17.309 5.012 329 HD2 ARG 44 1HD ARG 44 -14.174 -15.432 6.865 330 HD3 ARG 44 2HD ARG 44 -15.846 -15.727 7.297 331 HE ARG 44 HE ARG 44 -13.653 -17.660 7.397 332 HH11 ARG 44 2HH2 ARG 44 -17.144 -17.293 7.157 333 HH12 ARG 44 1HH2 ARG 44 -17.482 -18.870 7.788 334 HH21 ARG 44 2HH1 ARG 44 -14.097 -19.741 8.229 335 HH22 ARG 44 1HH1 ARG 44 -15.737 -20.272 8.402 336 H ASP 45 H ASP 45 -13.242 -13.969 1.824 337 HA ASP 45 HA ASP 45 -11.668 -11.833 2.280 338 HB2 ASP 45 1HB ASP 45 -9.404 -13.102 2.647 339 HB3 ASP 45 2HB ASP 45 -10.409 -12.752 4.040 340 H SER 46 H SER 46 -12.459 -11.974 -0.021 341 HA SER 46 HA SER 46 -11.881 -14.003 -1.734 342 HB2 SER 46 1HB SER 46 -13.322 -11.906 -2.102 343 HB3 SER 46 2HB SER 46 -11.842 -11.055 -2.499 344 HG SER 46 HG SER 46 -12.100 -13.480 -3.869 345 H GLY 47 H GLY 47 -9.971 -10.950 -1.184 346 HA2 GLY 47 1HA GLY 47 -7.469 -12.204 -1.242 347 HA3 GLY 47 2HA GLY 47 -7.826 -11.649 -2.866 348 H ALA 48 H ALA 48 -7.911 -10.508 0.582 349 HA ALA 48 HA ALA 48 -8.115 -7.824 0.136 350 HB1 ALA 48 1HB ALA 48 -7.220 -9.626 2.259 351 HB2 ALA 48 2HB ALA 48 -6.333 -8.083 2.279 352 HB3 ALA 48 3HB ALA 48 -8.110 -8.089 2.374 353 H MET 49 H MET 49 -5.147 -9.893 0.113 354 HA MET 49 HA MET 49 -3.378 -7.799 -0.270 355 HB2 MET 49 1HB MET 49 -3.400 -10.733 -0.318 356 HB3 MET 49 2HB MET 49 -2.376 -10.132 -1.607 357 HG2 MET 49 1HG MET 49 -1.825 -8.557 0.748 358 HG3 MET 49 2HG MET 49 -1.808 -10.243 1.224 359 HE1 MET 49 1HE MET 49 0.172 -7.837 0.965 360 HE2 MET 49 2HE MET 49 1.703 -8.364 0.225 361 HE3 MET 49 3HE MET 49 0.494 -7.498 -0.753 362 H LEU 50 H LEU 50 -5.776 -9.093 -2.374 363 HA LEU 50 HA LEU 50 -6.322 -8.639 -4.465 364 HB2 LEU 50 1HB LEU 50 -4.047 -6.655 -4.510 365 HB3 LEU 50 2HB LEU 50 -5.414 -6.721 -5.605 366 HG LEU 50 HG LEU 50 -6.574 -6.518 -3.064 367 HD11 LEU 50 1HD1 LEU 50 -5.489 -4.906 -1.818 368 HD12 LEU 50 2HD1 LEU 50 -4.129 -5.886 -2.415 369 HD13 LEU 50 3HD1 LEU 50 -4.518 -4.335 -3.196 370 HD21 LEU 50 1HD2 LEU 50 -6.135 -4.050 -4.678 371 HD22 LEU 50 2HD2 LEU 50 -6.977 -5.416 -5.449 372 HD23 LEU 50 3HD2 LEU 50 -7.623 -4.703 -3.952 373 H GLY 51 H GLY 51 -3.761 -10.324 -3.457 374 HA2 GLY 51 1HA GLY 51 -2.559 -11.953 -4.456 375 HA3 GLY 51 2HA GLY 51 -3.359 -11.598 -5.974 376 H LEU 52 H LEU 52 -1.359 -9.452 -3.839 377 HA LEU 52 HA LEU 52 0.845 -9.552 -5.663 378 HB2 LEU 52 1HB LEU 52 0.698 -7.552 -6.702 379 HB3 LEU 52 2HB LEU 52 -1.003 -7.967 -6.618 380 HG LEU 52 HG LEU 52 -1.141 -6.554 -4.514 381 HD11 LEU 52 1HD1 LEU 52 0.894 -4.730 -4.857 382 HD12 LEU 52 2HD1 LEU 52 0.811 -5.982 -3.594 383 HD13 LEU 52 3HD1 LEU 52 1.716 -6.291 -5.095 384 HD21 LEU 52 1HD2 LEU 52 -2.120 -5.639 -6.428 385 HD22 LEU 52 2HD2 LEU 52 -1.009 -4.369 -5.861 386 HD23 LEU 52 3HD2 LEU 52 -0.552 -5.403 -7.236 387 H LYS 53 H LYS 53 2.719 -8.355 -4.810 388 HA LYS 53 HA LYS 53 2.386 -7.842 -1.935 389 HB2 LYS 53 1HB LYS 53 3.671 -9.925 -2.581 390 HB3 LYS 53 2HB LYS 53 4.880 -8.882 -3.303 391 HG2 LYS 53 1HG LYS 53 3.968 -8.648 -0.397 392 HG3 LYS 53 2HG LYS 53 5.367 -9.576 -0.901 393 HD2 LYS 53 1HD LYS 53 5.635 -7.011 -2.137 394 HD3 LYS 53 2HD LYS 53 5.135 -6.703 -0.486 395 HE2 LYS 53 1HE LYS 53 7.643 -8.036 -1.495 396 HE3 LYS 53 2HE LYS 53 7.460 -6.840 -0.227 397 HZ1 LYS 53 1HZ LYS 53 7.242 -9.688 -0.071 398 HZ2 LYS 53 2HZ LYS 53 7.670 -8.611 1.079 399 HZ3 LYS 53 3HZ LYS 53 6.092 -8.886 0.765 400 H VAL 54 H VAL 54 3.441 -6.020 -1.043 401 HA VAL 54 HA VAL 54 4.741 -4.263 -2.990 402 HB VAL 54 HB VAL 54 2.546 -3.467 -1.066 403 HG11 VAL 54 1HG1 VAL 54 4.671 -1.921 -1.985 404 HG12 VAL 54 2HG1 VAL 54 3.333 -1.507 -3.084 405 HG13 VAL 54 3HG1 VAL 54 3.131 -1.321 -1.325 406 HG21 VAL 54 1HG2 VAL 54 1.686 -2.715 -3.539 407 HG22 VAL 54 2HG2 VAL 54 2.563 -4.213 -3.930 408 HG23 VAL 54 3HG2 VAL 54 1.240 -4.242 -2.740 409 H VAL 55 H VAL 55 6.407 -2.972 -2.117 410 HA VAL 55 HA VAL 55 6.968 -3.488 0.720 411 HB VAL 55 HB VAL 55 8.424 -4.865 -0.590 412 HG11 VAL 55 1HG1 VAL 55 9.986 -2.926 -2.030 413 HG12 VAL 55 2HG1 VAL 55 9.091 -4.335 -2.650 414 HG13 VAL 55 3HG1 VAL 55 8.274 -2.761 -2.489 415 HG21 VAL 55 1HG2 VAL 55 9.850 -4.305 1.053 416 HG22 VAL 55 2HG2 VAL 55 10.644 -3.282 -0.168 417 HG23 VAL 55 3HG2 VAL 55 9.446 -2.576 0.942 418 H GLY 56 H GLY 56 6.666 -1.606 1.793 419 HA2 GLY 56 1HA GLY 56 7.163 0.911 0.365 420 HA3 GLY 56 2HA GLY 56 6.246 0.696 1.842 421 H GLY 57 H GLY 57 7.811 2.666 2.290 422 HA2 GLY 57 1HA GLY 57 9.520 3.485 3.496 423 HA3 GLY 57 2HA GLY 57 9.620 1.913 4.264 424 H LYS 58 H LYS 58 9.940 1.799 0.802 425 HA LYS 58 HA LYS 58 12.617 0.882 1.031 426 HB2 LYS 58 1HB LYS 58 11.088 -0.093 -0.579 427 HB3 LYS 58 2HB LYS 58 10.849 1.456 -1.363 428 HG2 LYS 58 1HG LYS 58 12.680 1.120 -2.655 429 HG3 LYS 58 2HG LYS 58 13.690 0.981 -1.230 430 HD2 LYS 58 1HD LYS 58 14.024 -1.166 -1.958 431 HD3 LYS 58 2HD LYS 58 12.484 -1.480 -1.184 432 HE2 LYS 58 1HE LYS 58 11.472 -1.904 -3.177 433 HE3 LYS 58 2HE LYS 58 12.051 -0.400 -3.865 434 HZ1 LYS 58 1HZ LYS 58 13.216 -1.835 -5.107 435 HZ2 LYS 58 2HZ LYS 58 14.275 -1.783 -3.865 436 HZ3 LYS 58 3HZ LYS 58 13.225 -3.027 -3.991 437 H MET 59 H MET 59 14.421 2.093 1.172 438 HA MET 59 HA MET 59 14.220 4.891 0.762 439 HB2 MET 59 1HB MET 59 15.769 3.257 2.339 440 HB3 MET 59 2HB MET 59 16.896 3.527 1.025 441 HG2 MET 59 1HG MET 59 17.427 5.369 2.341 442 HG3 MET 59 2HG MET 59 16.164 6.090 1.363 443 HE1 MET 59 1HE MET 59 13.751 7.233 2.977 444 HE2 MET 59 2HE MET 59 14.958 7.901 4.102 445 HE3 MET 59 3HE MET 59 15.368 7.682 2.384 446 H THR 60 H THR 60 14.292 5.834 -1.229 447 HA THR 60 HA THR 60 15.534 4.409 -3.422 448 HB THR 60 HB THR 60 14.552 6.382 -4.699 449 HG1 THR 60 1HG THR 60 14.810 7.727 -2.642 450 HG21 THR 60 1HG2 THR 60 12.100 6.009 -3.834 451 HG22 THR 60 2HG2 THR 60 12.955 4.608 -4.523 452 HG23 THR 60 3HG2 THR 60 12.825 4.791 -2.757 453 H GLU 61 H GLU 61 16.488 6.529 -4.988 454 HA GLU 61 HA GLU 61 18.980 6.925 -3.613 455 HB2 GLU 61 1HB GLU 61 19.637 7.881 -5.935 456 HB3 GLU 61 2HB GLU 61 19.301 6.164 -5.824 457 HG2 GLU 61 1HG GLU 61 17.309 6.324 -7.012 458 HG3 GLU 61 2HG GLU 61 16.950 7.931 -6.412 459 H SER 62 H SER 62 16.039 8.566 -3.900 460 HA SER 62 HA SER 62 17.307 11.170 -3.912 461 HB2 SER 62 1HB SER 62 14.684 10.107 -4.680 462 HB3 SER 62 2HB SER 62 14.517 11.498 -3.627 463 HG SER 62 HG SER 62 15.353 11.375 -6.273 464 H GLY 63 H GLY 63 16.539 8.745 -1.730 465 HA2 GLY 63 1HA GLY 63 16.725 8.828 0.548 466 HA3 GLY 63 2HA GLY 63 16.643 10.578 0.510 467 H ARG 64 H ARG 64 14.175 9.257 -1.465 468 HA ARG 64 HA ARG 64 12.284 9.800 0.656 469 HB2 ARG 64 1HB ARG 64 12.306 10.085 -2.301 470 HB3 ARG 64 2HB ARG 64 10.805 9.422 -1.687 471 HG2 ARG 64 1HG ARG 64 11.955 11.804 -0.245 472 HG3 ARG 64 2HG ARG 64 11.253 12.084 -1.826 473 HD2 ARG 64 1HD ARG 64 9.243 10.605 -0.836 474 HD3 ARG 64 2HD ARG 64 9.908 11.118 0.703 475 HE ARG 64 HE ARG 64 8.493 12.792 -1.222 476 HH11 ARG 64 2HH2 ARG 64 10.885 12.825 1.359 477 HH12 ARG 64 1HH2 ARG 64 10.619 14.489 1.758 478 HH21 ARG 64 2HH1 ARG 64 8.142 14.988 -0.696 479 HH22 ARG 64 1HH1 ARG 64 9.048 15.728 0.581 480 H LEU 65 H LEU 65 10.299 8.350 0.793 481 HA LEU 65 HA LEU 65 11.086 5.585 0.204 482 HB2 LEU 65 1HB LEU 65 9.230 6.670 2.326 483 HB3 LEU 65 2HB LEU 65 9.576 4.975 2.046 484 HG LEU 65 HG LEU 65 11.706 6.998 2.778 485 HD11 LEU 65 1HD1 LEU 65 10.403 5.074 4.707 486 HD12 LEU 65 2HD1 LEU 65 11.506 6.427 5.054 487 HD13 LEU 65 3HD1 LEU 65 9.846 6.752 4.498 488 HD21 LEU 65 1HD2 LEU 65 11.795 4.274 1.917 489 HD22 LEU 65 2HD2 LEU 65 13.134 5.350 2.383 490 HD23 LEU 65 3HD2 LEU 65 12.322 4.354 3.615 491 H CYS 66 H CYS 66 9.601 4.170 -0.798 492 HA CYS 66 HA CYS 66 6.996 5.142 -1.460 493 HB2 CYS 66 1HB CYS 66 8.771 6.099 -3.190 494 HB3 CYS 66 2HB CYS 66 8.644 4.493 -3.880 495 HG CYS 66 HG CYS 66 7.008 6.724 -4.720 496 H ALA 67 H ALA 67 5.680 3.362 -2.366 497 HA ALA 67 HA ALA 67 6.745 0.793 -1.560 498 HB1 ALA 67 1HB ALA 67 4.146 0.468 -2.549 499 HB2 ALA 67 2HB ALA 67 4.611 0.681 -0.844 500 HB3 ALA 67 3HB ALA 67 4.136 2.092 -1.821 501 H PHE 68 H PHE 68 7.276 -0.884 -2.935 502 HA PHE 68 HA PHE 68 6.838 -0.367 -5.790 503 HB2 PHE 68 1HB PHE 68 9.251 -1.567 -4.302 504 HB3 PHE 68 2HB PHE 68 9.122 -1.504 -6.048 505 HD1 PHE 68 1HD PHE 68 8.999 0.780 -7.162 506 HD2 PHE 68 2HD PHE 68 10.087 0.268 -3.092 507 HE1 PHE 68 1HE PHE 68 10.054 3.057 -7.157 508 HE2 PHE 68 2HE PHE 68 11.142 2.545 -3.088 509 HZ PHE 68 HZ PHE 68 11.113 3.913 -5.120 510 H ILE 69 H ILE 69 6.155 -2.121 -7.024 511 HA ILE 69 HA ILE 69 5.146 -4.345 -5.553 512 HB ILE 69 HB ILE 69 5.183 -3.621 -8.479 513 HG12 ILE 69 1HG1 ILE 69 2.825 -3.735 -6.592 514 HG13 ILE 69 2HG1 ILE 69 3.801 -2.291 -6.775 515 HG21 ILE 69 1HG2 ILE 69 3.488 -5.831 -7.353 516 HG22 ILE 69 2HG2 ILE 69 3.968 -5.508 -9.036 517 HG23 ILE 69 3HG2 ILE 69 5.158 -6.153 -7.879 518 HD11 ILE 69 1HD1 ILE 69 1.793 -2.306 -8.280 519 HD12 ILE 69 2HD1 ILE 69 3.323 -2.201 -9.183 520 HD13 ILE 69 3HD1 ILE 69 2.448 -3.748 -9.092 521 H THR 70 H THR 70 6.140 -6.240 -5.105 522 HA THR 70 HA THR 70 8.751 -6.682 -6.341 523 HB THR 70 HB THR 70 9.150 -8.078 -4.403 524 HG1 THR 70 1HG THR 70 6.296 -7.691 -3.869 525 HG21 THR 70 1HG2 THR 70 9.204 -6.291 -2.983 526 HG22 THR 70 2HG2 THR 70 8.053 -5.421 -4.026 527 HG23 THR 70 3HG2 THR 70 7.453 -6.471 -2.719 528 H LYS 71 H LYS 71 5.562 -8.294 -5.854 529 HA LYS 71 HA LYS 71 6.034 -9.748 -8.300 530 HB2 LYS 71 1HB LYS 71 7.089 -11.112 -6.439 531 HB3 LYS 71 2HB LYS 71 5.484 -11.308 -5.764 532 HG2 LYS 71 1HG LYS 71 4.751 -12.669 -7.513 533 HG3 LYS 71 2HG LYS 71 5.807 -11.916 -8.692 534 HD2 LYS 71 1HD LYS 71 7.136 -13.415 -6.450 535 HD3 LYS 71 2HD LYS 71 6.290 -14.376 -7.646 536 HE2 LYS 71 1HE LYS 71 7.720 -12.506 -9.193 537 HE3 LYS 71 2HE LYS 71 8.829 -12.900 -7.895 538 HZ1 LYS 71 1HZ LYS 71 7.761 -14.612 -9.958 539 HZ2 LYS 71 2HZ LYS 71 9.246 -14.602 -9.278 540 HZ3 LYS 71 3HZ LYS 71 7.994 -15.300 -8.495 541 H VAL 72 H VAL 72 4.030 -10.753 -9.114 542 HA VAL 72 HA VAL 72 1.644 -9.734 -7.750 543 HB VAL 72 HB VAL 72 2.223 -9.560 -10.713 544 HG11 VAL 72 1HG1 VAL 72 -0.179 -8.746 -9.051 545 HG12 VAL 72 2HG1 VAL 72 0.112 -8.172 -10.711 546 HG13 VAL 72 3HG1 VAL 72 -0.121 -9.909 -10.398 547 HG21 VAL 72 1HG2 VAL 72 2.525 -7.613 -8.467 548 HG22 VAL 72 2HG2 VAL 72 3.478 -7.803 -9.958 549 HG23 VAL 72 3HG2 VAL 72 1.888 -7.004 -10.014 550 H LYS 73 H LYS 73 0.037 -11.237 -7.543 551 HA LYS 73 HA LYS 73 0.592 -13.904 -8.163 552 HB2 LYS 73 1HB LYS 73 -0.872 -13.060 -6.315 553 HB3 LYS 73 2HB LYS 73 -2.089 -12.650 -7.506 554 HG2 LYS 73 1HG LYS 73 -2.674 -14.832 -6.673 555 HG3 LYS 73 2HG LYS 73 -2.036 -15.080 -8.286 556 HD2 LYS 73 1HD LYS 73 0.150 -15.751 -7.384 557 HD3 LYS 73 2HD LYS 73 -0.346 -15.335 -5.755 558 HE2 LYS 73 1HE LYS 73 -2.321 -17.067 -6.233 559 HE3 LYS 73 2HE LYS 73 -1.232 -17.669 -7.467 560 HZ1 LYS 73 1HZ LYS 73 0.198 -18.415 -5.928 561 HZ2 LYS 73 2HZ LYS 73 -0.075 -17.203 -4.868 562 HZ3 LYS 73 3HZ LYS 73 -1.125 -18.449 -4.972 563 H LYS 74 H LYS 74 0.712 -14.792 -10.150 564 HA LYS 74 HA LYS 74 -0.461 -13.531 -12.393 565 HB2 LYS 74 1HB LYS 74 1.664 -14.962 -12.270 566 HB3 LYS 74 2HB LYS 74 0.604 -16.357 -12.274 567 HG2 LYS 74 1HG LYS 74 -0.308 -14.591 -14.356 568 HG3 LYS 74 2HG LYS 74 1.433 -14.719 -14.511 569 HD2 LYS 74 1HD LYS 74 0.208 -17.335 -13.954 570 HD3 LYS 74 2HD LYS 74 -0.474 -16.602 -15.391 571 HE2 LYS 74 1HE LYS 74 1.966 -16.144 -16.141 572 HE3 LYS 74 2HE LYS 74 2.462 -17.206 -14.838 573 HZ1 LYS 74 1HZ LYS 74 2.239 -18.559 -16.682 574 HZ2 LYS 74 2HZ LYS 74 0.857 -18.840 -15.857 575 HZ3 LYS 74 3HZ LYS 74 0.840 -17.877 -17.176 576 H GLY 75 H GLY 75 -2.650 -13.382 -12.551 577 HA2 GLY 75 1HA GLY 75 -4.607 -14.456 -13.299 578 HA3 GLY 75 2HA GLY 75 -4.144 -15.914 -12.443 579 H SER 76 H SER 76 -4.217 -12.459 -11.331 580 HA SER 76 HA SER 76 -6.362 -13.204 -9.531 581 HB2 SER 76 1HB SER 76 -3.601 -12.310 -8.767 582 HB3 SER 76 2HB SER 76 -4.930 -11.637 -7.844 583 HG SER 76 HG SER 76 -4.126 -14.383 -8.108 584 H LEU 77 H LEU 77 -7.159 -11.057 -8.342 585 HA LEU 77 HA LEU 77 -8.171 -9.349 -10.169 586 HB2 LEU 77 1HB LEU 77 -7.570 -9.132 -7.251 587 HB3 LEU 77 2HB LEU 77 -8.121 -7.704 -8.104 588 HG LEU 77 HG LEU 77 -9.691 -10.231 -8.428 589 HD11 LEU 77 1HD1 LEU 77 -9.043 -9.335 -5.872 590 HD12 LEU 77 2HD1 LEU 77 -10.661 -8.663 -6.183 591 HD13 LEU 77 3HD1 LEU 77 -10.383 -10.416 -6.324 592 HD21 LEU 77 1HD2 LEU 77 -11.136 -7.757 -7.928 593 HD22 LEU 77 2HD2 LEU 77 -9.981 -7.597 -9.272 594 HD23 LEU 77 3HD2 LEU 77 -11.218 -8.876 -9.311 595 H ALA 78 H ALA 78 -5.331 -8.500 -8.057 596 HA ALA 78 HA ALA 78 -4.648 -6.321 -9.751 597 HB1 ALA 78 1HB ALA 78 -3.349 -5.748 -7.991 598 HB2 ALA 78 2HB ALA 78 -4.139 -7.095 -7.138 599 HB3 ALA 78 3HB ALA 78 -2.568 -7.346 -7.936 600 H ASP 79 H ASP 79 -4.815 -8.021 -11.683 601 HA ASP 79 HA ASP 79 -2.294 -8.197 -12.735 602 HB2 ASP 79 1HB ASP 79 -2.380 -10.152 -10.913 603 HB3 ASP 79 2HB ASP 79 -3.285 -10.996 -12.153 604 H THR 80 H THR 80 -5.550 -9.730 -12.428 605 HA THR 80 HA THR 80 -5.666 -10.247 -15.286 606 HB THR 80 HB THR 80 -7.907 -11.246 -14.576 607 HG1 THR 80 1HG THR 80 -8.400 -10.118 -12.682 608 HG21 THR 80 1HG2 THR 80 -5.851 -12.693 -14.497 609 HG22 THR 80 2HG2 THR 80 -5.519 -12.097 -12.853 610 HG23 THR 80 3HG2 THR 80 -6.974 -13.073 -13.169 611 H VAL 81 H VAL 81 -7.123 -8.071 -12.823 612 HA VAL 81 HA VAL 81 -8.471 -6.684 -15.025 613 HB VAL 81 HB VAL 81 -9.664 -5.561 -13.075 614 HG11 VAL 81 1HG1 VAL 81 -10.474 -8.346 -12.782 615 HG12 VAL 81 2HG1 VAL 81 -11.336 -6.978 -13.526 616 HG13 VAL 81 3HG1 VAL 81 -10.164 -7.917 -14.482 617 HG21 VAL 81 1HG2 VAL 81 -8.659 -7.946 -11.502 618 HG22 VAL 81 2HG2 VAL 81 -7.925 -6.329 -11.387 619 HG23 VAL 81 3HG2 VAL 81 -9.626 -6.569 -10.923 620 H GLY 82 H GLY 82 -6.123 -6.362 -12.336 621 HA2 GLY 82 1HA GLY 82 -5.748 -3.536 -12.764 622 HA3 GLY 82 2HA GLY 82 -4.850 -4.590 -11.690 623 H HIS 83 H HIS 83 -4.158 -6.625 -13.711 624 HA HIS 83 HA HIS 83 -2.587 -7.078 -15.172 625 HB2 HIS 83 1HB HIS 83 -3.127 -4.295 -16.245 626 HB3 HIS 83 2HB HIS 83 -2.179 -5.523 -17.061 627 HD1 HIS 83 1HD HIS 83 -3.761 -7.985 -17.142 628 HD2 HIS 83 2HD HIS 83 -5.631 -4.233 -17.297 629 HE1 HIS 83 1HE HIS 83 -6.056 -8.373 -18.188 630 H LEU 84 H LEU 84 -2.126 -5.512 -12.539 631 HA LEU 84 HA LEU 84 0.085 -3.853 -12.874 632 HB2 LEU 84 1HB LEU 84 -0.774 -5.548 -10.526 633 HB3 LEU 84 2HB LEU 84 0.469 -4.315 -10.464 634 HG LEU 84 HG LEU 84 -2.290 -3.591 -11.410 635 HD11 LEU 84 1HD1 LEU 84 -1.512 -4.386 -8.657 636 HD12 LEU 84 2HD1 LEU 84 -2.483 -2.903 -8.823 637 HD13 LEU 84 3HD1 LEU 84 -3.092 -4.444 -9.474 638 HD21 LEU 84 1HD2 LEU 84 -0.578 -1.918 -11.691 639 HD22 LEU 84 2HD2 LEU 84 -1.685 -1.411 -10.393 640 HD23 LEU 84 3HD2 LEU 84 -0.085 -2.077 -9.988 641 H ARG 85 H ARG 85 2.350 -4.405 -11.967 642 HA ARG 85 HA ARG 85 3.076 -7.137 -12.377 643 HB2 ARG 85 1HB ARG 85 3.681 -4.973 -14.360 644 HB3 ARG 85 2HB ARG 85 5.032 -6.011 -13.952 645 HG2 ARG 85 1HG ARG 85 4.120 -7.842 -15.002 646 HG3 ARG 85 2HG ARG 85 2.498 -7.484 -14.445 647 HD2 ARG 85 1HD ARG 85 1.961 -6.369 -16.369 648 HD3 ARG 85 2HD ARG 85 3.464 -5.469 -16.372 649 HE ARG 85 HE ARG 85 2.947 -8.026 -17.732 650 HH11 ARG 85 2HH2 ARG 85 5.401 -5.790 -16.565 651 HH12 ARG 85 1HH2 ARG 85 6.631 -6.383 -17.631 652 HH21 ARG 85 2HH1 ARG 85 4.569 -8.808 -19.139 653 HH22 ARG 85 1HH1 ARG 85 6.154 -8.111 -19.105 654 HA PRO 86 HA PRO 86 6.176 -5.910 -9.566 655 HB2 PRO 86 1HB PRO 86 8.189 -7.700 -10.026 656 HB3 PRO 86 2HB PRO 86 6.758 -8.087 -9.092 657 HG2 PRO 86 1HG PRO 86 7.448 -8.901 -11.849 658 HG3 PRO 86 2HG PRO 86 6.265 -9.601 -10.761 659 HD2 PRO 86 1HD PRO 86 5.737 -7.879 -12.993 660 HD3 PRO 86 2HD PRO 86 4.568 -8.484 -11.837 661 H GLY 87 H GLY 87 7.026 -3.929 -9.667 662 HA2 GLY 87 1HA GLY 87 9.429 -3.209 -10.292 663 HA3 GLY 87 2HA GLY 87 8.843 -3.442 -11.927 664 H ASP 88 H ASP 88 6.004 -2.630 -10.869 665 HA ASP 88 HA ASP 88 6.252 0.049 -11.635 666 HB2 ASP 88 1HB ASP 88 4.134 -1.862 -10.978 667 HB3 ASP 88 2HB ASP 88 3.774 -0.297 -10.276 668 H GLU 89 H GLU 89 4.956 1.765 -10.077 669 HA GLU 89 HA GLU 89 5.893 1.322 -7.355 670 HB2 GLU 89 1HB GLU 89 7.490 2.822 -8.499 671 HB3 GLU 89 2HB GLU 89 6.184 3.886 -8.982 672 HG2 GLU 89 1HG GLU 89 5.643 4.285 -6.553 673 HG3 GLU 89 2HG GLU 89 6.999 3.271 -6.102 674 H VAL 90 H VAL 90 3.994 1.079 -6.230 675 HA VAL 90 HA VAL 90 1.615 2.404 -7.062 676 HB VAL 90 HB VAL 90 1.409 0.259 -6.115 677 HG11 VAL 90 1HG1 VAL 90 3.037 -0.462 -4.758 678 HG12 VAL 90 2HG1 VAL 90 3.486 1.196 -4.290 679 HG13 VAL 90 3HG1 VAL 90 2.169 0.356 -3.437 680 HG21 VAL 90 1HG2 VAL 90 0.487 2.455 -4.258 681 HG22 VAL 90 2HG2 VAL 90 -0.453 1.517 -5.443 682 HG23 VAL 90 3HG2 VAL 90 0.105 0.745 -3.939 683 H LEU 91 H LEU 91 1.667 4.625 -6.961 684 HA LEU 91 HA LEU 91 3.048 6.042 -4.979 685 HB2 LEU 91 1HB LEU 91 0.918 6.741 -6.980 686 HB3 LEU 91 2HB LEU 91 1.487 7.921 -5.816 687 HG LEU 91 HG LEU 91 2.532 7.866 -8.180 688 HD11 LEU 91 1HD1 LEU 91 3.547 9.391 -6.823 689 HD12 LEU 91 2HD1 LEU 91 3.900 8.198 -5.549 690 HD13 LEU 91 3HD1 LEU 91 4.892 8.243 -7.027 691 HD21 LEU 91 1HD2 LEU 91 3.892 5.487 -6.905 692 HD22 LEU 91 2HD2 LEU 91 3.031 5.570 -8.461 693 HD23 LEU 91 3HD2 LEU 91 4.593 6.400 -8.263 694 H GLU 92 H GLU 92 -0.534 5.573 -5.420 695 HA GLU 92 HA GLU 92 -0.723 5.947 -2.533 696 HB2 GLU 92 1HB GLU 92 -2.590 6.695 -4.801 697 HB3 GLU 92 2HB GLU 92 -3.213 6.493 -3.176 698 HG2 GLU 92 1HG GLU 92 -2.551 8.874 -3.740 699 HG3 GLU 92 2HG GLU 92 -1.775 8.239 -2.303 700 H TRP 93 H TRP 93 -2.980 4.860 -1.735 701 HA TRP 93 HA TRP 93 -3.481 2.363 -3.108 702 HB2 TRP 93 1HB TRP 93 -1.563 1.746 -1.796 703 HB3 TRP 93 2HB TRP 93 -2.250 2.462 -0.352 704 HD1 TRP 93 HD TRP 93 -4.635 1.151 0.540 705 HE1 TRP 93 1HE TRP 93 -5.256 -1.413 0.617 706 HE3 TRP 93 3HE TRP 93 -1.203 -0.323 -2.910 707 HZ2 TRP 93 2HZ TRP 93 -4.265 -3.717 -0.744 708 HZ3 TRP 93 3HZ TRP 93 -1.095 -2.747 -3.479 709 HH2 TRP 93 HH TRP 93 -2.554 -4.421 -2.458 710 H ASN 94 H ASN 94 -5.633 3.058 -3.385 711 HA ASN 94 HA ASN 94 -7.733 3.169 -2.808 712 HB2 ASN 94 1HB ASN 94 -6.609 1.949 -0.476 713 HB3 ASN 94 2HB ASN 94 -7.641 3.233 0.120 714 HD21 ASN 94 1HD2 ASN 94 -8.005 0.403 0.372 715 HD22 ASN 94 2HD2 ASN 94 -9.504 -0.025 -0.384 716 H GLY 95 H GLY 95 -5.499 5.382 -2.551 717 HA2 GLY 95 1HA GLY 95 -6.108 7.687 -2.623 718 HA3 GLY 95 2HA GLY 95 -7.255 7.415 -1.326 719 H ARG 96 H ARG 96 -4.788 5.475 -0.369 720 HA ARG 96 HA ARG 96 -3.794 7.532 1.365 721 HB2 ARG 96 1HB ARG 96 -3.605 4.499 1.300 722 HB3 ARG 96 2HB ARG 96 -2.542 5.415 2.349 723 HG2 ARG 96 1HG ARG 96 -5.391 6.254 2.500 724 HG3 ARG 96 2HG ARG 96 -5.115 4.598 3.003 725 HD2 ARG 96 1HD ARG 96 -3.272 5.425 4.543 726 HD3 ARG 96 2HD ARG 96 -3.688 7.069 4.101 727 HE ARG 96 HE ARG 96 -5.203 5.304 5.875 728 HH11 ARG 96 2HH2 ARG 96 -5.409 8.106 3.757 729 HH12 ARG 96 1HH2 ARG 96 -6.814 8.752 4.536 730 HH21 ARG 96 2HH1 ARG 96 -7.058 6.156 6.904 731 HH22 ARG 96 1HH1 ARG 96 -7.758 7.636 6.338 732 H LEU 97 H LEU 97 -1.803 8.519 1.100 733 HA LEU 97 HA LEU 97 -0.219 7.777 -1.157 734 HB2 LEU 97 1HB LEU 97 -0.656 10.106 -0.447 735 HB3 LEU 97 2HB LEU 97 0.278 9.824 1.009 736 HG LEU 97 HG LEU 97 2.038 9.066 -0.989 737 HD11 LEU 97 1HD1 LEU 97 1.876 10.342 -2.851 738 HD12 LEU 97 2HD1 LEU 97 0.142 10.278 -2.452 739 HD13 LEU 97 3HD1 LEU 97 1.109 11.701 -1.995 740 HD21 LEU 97 1HD2 LEU 97 3.328 10.918 -0.308 741 HD22 LEU 97 2HD2 LEU 97 1.888 11.863 0.141 742 HD23 LEU 97 3HD2 LEU 97 2.366 10.453 1.116 743 H LEU 98 H LEU 98 1.541 6.465 -1.234 744 HA LEU 98 HA LEU 98 2.364 5.288 1.304 745 HB2 LEU 98 1HB LEU 98 2.974 4.436 -1.530 746 HB3 LEU 98 2HB LEU 98 3.373 3.555 -0.069 747 HG LEU 98 HG LEU 98 0.613 4.084 -1.192 748 HD11 LEU 98 1HD1 LEU 98 2.155 2.248 -2.139 749 HD12 LEU 98 2HD1 LEU 98 1.846 1.400 -0.605 750 HD13 LEU 98 3HD1 LEU 98 0.491 1.810 -1.684 751 HD21 LEU 98 1HD2 LEU 98 -0.161 4.020 0.894 752 HD22 LEU 98 2HD2 LEU 98 0.319 2.306 0.917 753 HD23 LEU 98 3HD2 LEU 98 1.423 3.548 1.554 754 H GLN 99 H GLN 99 3.291 7.672 -1.030 755 HA GLN 99 HA GLN 99 6.045 7.407 -0.879 756 HB2 GLN 99 1HB GLN 99 4.127 9.603 -1.620 757 HB3 GLN 99 2HB GLN 99 5.804 10.044 -1.362 758 HG2 GLN 99 1HG GLN 99 6.419 8.106 -2.961 759 HG3 GLN 99 2HG GLN 99 4.714 8.014 -3.358 760 HE21 GLN 99 1HE2 GLN 99 6.631 8.561 -5.246 761 HE22 GLN 99 2HE2 GLN 99 6.469 10.183 -5.832 762 H GLY 100 H GLY 100 7.427 7.696 0.814 763 HA2 GLY 100 1HA GLY 100 8.342 8.985 2.531 764 HA3 GLY 100 2HA GLY 100 6.787 9.743 2.813 765 H ALA 101 H ALA 101 5.108 7.401 2.892 766 HA ALA 101 HA ALA 101 5.370 6.695 5.563 767 HB1 ALA 101 1HB ALA 101 3.907 5.322 3.272 768 HB2 ALA 101 2HB ALA 101 3.629 5.007 5.002 769 HB3 ALA 101 3HB ALA 101 3.262 6.609 4.319 770 H THR 102 H THR 102 6.166 4.839 6.629 771 HA THR 102 HA THR 102 8.392 3.604 5.312 772 HB THR 102 HB THR 102 8.902 2.841 7.515 773 HG1 THR 102 1HG THR 102 7.184 2.265 8.893 774 HG21 THR 102 1HG2 THR 102 8.355 5.478 7.311 775 HG22 THR 102 2HG2 THR 102 7.024 5.032 8.405 776 HG23 THR 102 3HG2 THR 102 8.711 4.732 8.888 777 H PHE 103 H PHE 103 8.650 1.094 5.722 778 HA PHE 103 HA PHE 103 6.900 -0.127 3.955 779 HB2 PHE 103 1HB PHE 103 9.244 -0.843 4.595 780 HB3 PHE 103 2HB PHE 103 8.682 -1.234 6.208 781 HD1 PHE 103 2HD PHE 103 8.614 -2.258 2.683 782 HD2 PHE 103 1HD PHE 103 7.479 -3.273 6.644 783 HE1 PHE 103 2HE PHE 103 8.099 -4.599 1.936 784 HE2 PHE 103 1HE PHE 103 6.964 -5.613 5.897 785 HZ PHE 103 HZ PHE 103 7.280 -6.248 3.552 786 H GLU 104 H GLU 104 7.054 -0.256 7.576 787 HA GLU 104 HA GLU 104 4.990 -2.076 7.846 788 HB2 GLU 104 1HB GLU 104 6.087 0.069 9.704 789 HB3 GLU 104 2HB GLU 104 4.831 -1.044 10.208 790 HG2 GLU 104 1HG GLU 104 6.339 -2.975 9.597 791 HG3 GLU 104 2HG GLU 104 7.601 -1.831 9.185 792 H GLU 105 H GLU 105 5.024 1.521 7.650 793 HA GLU 105 HA GLU 105 2.370 1.892 8.328 794 HB2 GLU 105 1HB GLU 105 4.471 3.478 6.881 795 HB3 GLU 105 2HB GLU 105 2.813 4.021 6.722 796 HG2 GLU 105 1HG GLU 105 2.722 3.765 9.346 797 HG3 GLU 105 2HG GLU 105 4.472 3.758 9.251 798 H VAL 106 H VAL 106 3.962 1.568 5.079 799 HA VAL 106 HA VAL 106 1.722 1.878 3.523 800 HB VAL 106 HB VAL 106 4.152 0.120 3.140 801 HG11 VAL 106 1HG1 VAL 106 3.332 0.876 0.626 802 HG12 VAL 106 2HG1 VAL 106 3.021 -0.707 1.379 803 HG13 VAL 106 3HG1 VAL 106 1.784 0.571 1.450 804 HG21 VAL 106 1HG2 VAL 106 3.733 2.989 3.079 805 HG22 VAL 106 2HG2 VAL 106 5.245 2.058 2.950 806 HG23 VAL 106 3HG2 VAL 106 4.279 2.394 1.493 807 H TYR 107 H TYR 107 2.976 -1.060 5.201 808 HA TYR 107 HA TYR 107 1.111 -2.840 4.115 809 HB2 TYR 107 1HB TYR 107 3.188 -3.491 5.318 810 HB3 TYR 107 2HB TYR 107 2.690 -2.605 6.745 811 HD1 TYR 107 2HD TYR 107 0.416 -3.427 7.845 812 HD2 TYR 107 1HD TYR 107 2.852 -5.794 5.244 813 HE1 TYR 107 2HE TYR 107 -0.626 -5.546 8.786 814 HE2 TYR 107 1HE TYR 107 1.802 -7.906 6.194 815 HH TYR 107 HH TYR 107 -0.423 -7.742 8.921 816 H ASN 108 H ASN 108 1.089 -0.883 7.166 817 HA ASN 108 HA ASN 108 -1.150 -1.895 8.279 818 HB2 ASN 108 1HB ASN 108 0.145 0.835 8.255 819 HB3 ASN 108 2HB ASN 108 -1.453 0.717 8.966 820 HD21 ASN 108 1HD2 ASN 108 1.840 -0.516 9.056 821 HD22 ASN 108 2HD2 ASN 108 1.846 -1.063 10.700 822 H ILE 109 H ILE 109 -0.756 0.356 5.527 823 HA ILE 109 HA ILE 109 -3.447 1.224 5.445 824 HB ILE 109 HB ILE 109 -1.188 1.251 3.450 825 HG12 ILE 109 1HG1 ILE 109 -2.405 3.660 4.762 826 HG13 ILE 109 2HG1 ILE 109 -1.289 2.665 5.676 827 HG21 ILE 109 1HG2 ILE 109 -3.174 3.151 2.750 828 HG22 ILE 109 2HG2 ILE 109 -2.604 1.745 1.819 829 HG23 ILE 109 3HG2 ILE 109 -3.983 1.576 2.932 830 HD11 ILE 109 1HD1 ILE 109 -0.711 4.589 3.579 831 HD12 ILE 109 2HD1 ILE 109 0.423 3.725 4.645 832 HD13 ILE 109 3HD1 ILE 109 -0.095 2.986 3.111 833 H ILE 110 H ILE 110 -1.565 -1.257 3.580 834 HA ILE 110 HA ILE 110 -3.781 -2.132 2.104 835 HB ILE 110 HB ILE 110 -1.173 -3.477 2.815 836 HG12 ILE 110 1HG1 ILE 110 -1.672 -2.488 0.078 837 HG13 ILE 110 2HG1 ILE 110 -1.574 -1.232 1.296 838 HG21 ILE 110 1HG2 ILE 110 -3.532 -4.492 1.422 839 HG22 ILE 110 2HG2 ILE 110 -2.055 -4.565 0.432 840 HG23 ILE 110 3HG2 ILE 110 -2.095 -5.349 2.030 841 HD11 ILE 110 1HD1 ILE 110 0.498 -3.456 1.061 842 HD12 ILE 110 2HD1 ILE 110 0.650 -1.889 0.230 843 HD13 ILE 110 3HD1 ILE 110 0.622 -1.955 2.009 844 H LEU 111 H LEU 111 -2.454 -3.006 5.314 845 HA LEU 111 HA LEU 111 -4.141 -5.273 5.611 846 HB2 LEU 111 1HB LEU 111 -2.080 -5.211 6.778 847 HB3 LEU 111 2HB LEU 111 -2.438 -3.651 7.492 848 HG LEU 111 HG LEU 111 -2.607 -5.725 8.981 849 HD11 LEU 111 1HD1 LEU 111 -4.258 -4.738 10.342 850 HD12 LEU 111 2HD1 LEU 111 -3.514 -3.394 9.442 851 HD13 LEU 111 3HD1 LEU 111 -5.104 -4.025 8.947 852 HD21 LEU 111 1HD2 LEU 111 -5.032 -6.676 8.876 853 HD22 LEU 111 2HD2 LEU 111 -4.966 -6.157 7.174 854 HD23 LEU 111 3HD2 LEU 111 -3.775 -7.326 7.795 855 H GLU 112 H GLU 112 -4.396 -1.779 6.227 856 HA GLU 112 HA GLU 112 -6.680 -2.061 7.873 857 HB2 GLU 112 1HB GLU 112 -5.196 0.227 6.589 858 HB3 GLU 112 2HB GLU 112 -6.817 0.523 7.183 859 HG2 GLU 112 1HG GLU 112 -5.295 -1.010 9.151 860 HG3 GLU 112 2HG GLU 112 -4.412 0.437 8.704 861 H SER 113 H SER 113 -6.043 -2.033 4.433 862 HA SER 113 HA SER 113 -8.786 -1.340 3.853 863 HB2 SER 113 1HB SER 113 -6.492 -2.005 1.954 864 HB3 SER 113 2HB SER 113 -8.055 -1.365 1.486 865 HG SER 113 HG SER 113 -5.985 0.098 1.964 866 H LYS 114 H LYS 114 -7.944 -3.879 5.283 867 HA LYS 114 HA LYS 114 -8.204 -5.992 3.396 868 HB2 LYS 114 1HB LYS 114 -7.770 -5.678 6.287 869 HB3 LYS 114 2HB LYS 114 -8.759 -7.066 5.878 870 HG2 LYS 114 1HG LYS 114 -7.009 -7.754 4.178 871 HG3 LYS 114 2HG LYS 114 -6.008 -6.420 4.716 872 HD2 LYS 114 1HD LYS 114 -5.138 -7.988 6.150 873 HD3 LYS 114 2HD LYS 114 -6.528 -7.572 7.134 874 HE2 LYS 114 1HE LYS 114 -6.719 -9.909 7.041 875 HE3 LYS 114 2HE LYS 114 -7.777 -9.430 5.728 876 HZ1 LYS 114 1HZ LYS 114 -5.090 -9.676 4.878 877 HZ2 LYS 114 2HZ LYS 114 -5.638 -11.070 5.530 878 HZ3 LYS 114 3HZ LYS 114 -6.434 -10.385 4.279 879 HA PRO 115 HA PRO 115 -12.638 -5.909 5.045 880 HB2 PRO 115 1HB PRO 115 -13.518 -3.745 6.463 881 HB3 PRO 115 2HB PRO 115 -12.945 -5.218 7.219 882 HG2 PRO 115 1HG PRO 115 -11.582 -2.606 6.981 883 HG3 PRO 115 2HG PRO 115 -11.231 -3.931 8.072 884 HD2 PRO 115 1HD PRO 115 -9.776 -3.228 5.702 885 HD3 PRO 115 2HD PRO 115 -9.497 -4.620 6.729 886 H GLU 116 H GLU 116 -10.999 -3.564 3.426 887 HA GLU 116 HA GLU 116 -13.229 -2.113 2.497 888 HB2 GLU 116 1HB GLU 116 -10.310 -2.309 1.767 889 HB3 GLU 116 2HB GLU 116 -11.397 -1.529 0.636 890 HG2 GLU 116 1HG GLU 116 -12.229 -0.302 2.915 891 HG3 GLU 116 2HG GLU 116 -10.584 -0.666 3.397 892 HA PRO 117 HA PRO 117 -14.515 -4.945 -0.551 893 HB2 PRO 117 1HB PRO 117 -16.318 -3.373 -1.873 894 HB3 PRO 117 2HB PRO 117 -16.697 -4.228 -0.391 895 HG2 PRO 117 1HG PRO 117 -16.177 -1.345 -0.786 896 HG3 PRO 117 2HG PRO 117 -16.959 -2.144 0.563 897 HD2 PRO 117 1HD PRO 117 -14.283 -1.116 0.496 898 HD3 PRO 117 2HD PRO 117 -15.027 -2.017 1.802 899 H GLN 118 H GLN 118 -13.419 -1.769 -1.480 900 HA GLN 118 HA GLN 118 -12.415 -3.045 -3.905 901 HB2 GLN 118 1HB GLN 118 -13.737 -0.362 -3.498 902 HB3 GLN 118 2HB GLN 118 -12.530 -0.521 -4.758 903 HG2 GLN 118 1HG GLN 118 -13.854 -2.613 -5.547 904 HG3 GLN 118 2HG GLN 118 -15.133 -2.076 -4.476 905 HE21 GLN 118 1HE2 GLN 118 -14.649 0.731 -4.768 906 HE22 GLN 118 2HE2 GLN 118 -15.187 1.219 -6.341 907 H VAL 119 H VAL 119 -10.531 -1.504 -4.868 908 HA VAL 119 HA VAL 119 -8.997 -0.213 -2.809 909 HB VAL 119 HB VAL 119 -7.992 -2.751 -4.115 910 HG11 VAL 119 1HG1 VAL 119 -5.948 -2.439 -2.911 911 HG12 VAL 119 2HG1 VAL 119 -6.289 -0.919 -3.773 912 HG13 VAL 119 3HG1 VAL 119 -6.608 -1.043 -2.026 913 HG21 VAL 119 1HG2 VAL 119 -7.896 -3.589 -1.749 914 HG22 VAL 119 2HG2 VAL 119 -8.813 -2.145 -1.257 915 HG23 VAL 119 3HG2 VAL 119 -9.542 -3.326 -2.372 916 H GLU 120 H GLU 120 -8.753 1.669 -3.938 917 HA GLU 120 HA GLU 120 -8.175 1.462 -6.756 918 HB2 GLU 120 1HB GLU 120 -9.891 3.082 -5.931 919 HB3 GLU 120 2HB GLU 120 -8.657 3.915 -5.007 920 HG2 GLU 120 1HG GLU 120 -7.401 4.036 -7.360 921 HG3 GLU 120 2HG GLU 120 -9.009 3.781 -8.008 922 H LEU 121 H LEU 121 -6.056 1.120 -7.287 923 HA LEU 121 HA LEU 121 -4.015 2.239 -5.540 924 HB2 LEU 121 1HB LEU 121 -3.832 0.300 -7.850 925 HB3 LEU 121 2HB LEU 121 -2.487 0.823 -6.855 926 HG LEU 121 HG LEU 121 -4.715 -1.059 -6.217 927 HD11 LEU 121 1HD1 LEU 121 -2.431 -1.805 -6.894 928 HD12 LEU 121 2HD1 LEU 121 -1.799 -1.064 -5.404 929 HD13 LEU 121 3HD1 LEU 121 -2.959 -2.410 -5.305 930 HD21 LEU 121 1HD2 LEU 121 -4.206 -0.831 -3.775 931 HD22 LEU 121 2HD2 LEU 121 -3.341 0.678 -4.154 932 HD23 LEU 121 3HD2 LEU 121 -5.085 0.545 -4.486 933 H VAL 122 H VAL 122 -2.083 3.300 -6.611 934 HA VAL 122 HA VAL 122 -2.701 4.577 -9.137 935 HB VAL 122 HB VAL 122 -2.126 6.194 -6.648 936 HG11 VAL 122 1HG1 VAL 122 -2.683 8.122 -8.096 937 HG12 VAL 122 2HG1 VAL 122 -1.267 7.219 -8.686 938 HG13 VAL 122 3HG1 VAL 122 -2.846 7.017 -9.482 939 HG21 VAL 122 1HG2 VAL 122 -4.384 5.187 -6.562 940 HG22 VAL 122 2HG2 VAL 122 -4.440 6.956 -6.744 941 HG23 VAL 122 3HG2 VAL 122 -4.752 5.907 -8.148 942 H VAL 123 H VAL 123 -0.916 4.098 -10.305 943 HA VAL 123 HA VAL 123 1.652 4.194 -8.879 944 HB VAL 123 HB VAL 123 1.403 2.011 -9.582 945 HG11 VAL 123 1HG1 VAL 123 0.067 3.118 -12.063 946 HG12 VAL 123 2HG1 VAL 123 0.587 1.421 -11.925 947 HG13 VAL 123 3HG1 VAL 123 -0.630 2.073 -10.801 948 HG21 VAL 123 1HG2 VAL 123 2.731 3.312 -11.983 949 HG22 VAL 123 2HG2 VAL 123 3.516 3.043 -10.408 950 HG23 VAL 123 3HG2 VAL 123 2.980 1.654 -11.383 951 H SER 124 H SER 124 3.526 4.954 -10.235 952 HA SER 124 HA SER 124 2.678 6.707 -12.376 953 HB2 SER 124 1HB SER 124 2.688 8.269 -10.581 954 HB3 SER 124 2HB SER 124 4.104 7.552 -9.839 955 HG SER 124 HG SER 124 5.368 8.311 -11.687 956 H ARG 125 H ARG 125 3.850 5.869 -14.074 957 HA ARG 125 HA ARG 125 6.604 5.149 -13.474 958 HB2 ARG 125 1HB ARG 125 6.347 3.829 -15.724 959 HB3 ARG 125 2HB ARG 125 5.567 3.179 -14.296 960 HG2 ARG 125 1HG ARG 125 3.403 4.049 -14.966 961 HG3 ARG 125 2HG ARG 125 4.114 5.032 -16.231 962 HD2 ARG 125 1HD ARG 125 3.091 3.010 -17.211 963 HD3 ARG 125 2HD ARG 125 4.827 2.974 -17.450 964 HE ARG 125 HE ARG 125 4.515 1.628 -15.056 965 HH11 ARG 125 2HH2 ARG 125 3.064 1.268 -18.241 966 HH12 ARG 125 1HH2 ARG 125 2.818 -0.439 -18.077 967 HH21 ARG 125 2HH1 ARG 125 4.191 -0.623 -14.838 968 HH22 ARG 125 1HH1 ARG 125 3.464 -1.522 -16.128 969 H SER 126 H SER 126 8.123 5.434 -15.485 970 HA SER 126 HA SER 126 7.605 8.085 -16.492 971 HB2 SER 126 1HB SER 126 9.903 8.304 -16.734 972 HB3 SER 126 2HB SER 126 9.844 7.132 -15.432 973 HG SER 126 HG SER 126 11.309 6.372 -17.001 974 H GLY 127 H GLY 127 6.653 8.334 -18.477 975 HA2 GLY 127 1HA GLY 127 6.093 7.978 -20.624 976 HA3 GLY 127 2HA GLY 127 7.566 7.044 -20.797 977 HA PRO 128 HA PRO 128 3.757 4.322 -20.632 978 HB2 PRO 128 1HB PRO 128 2.866 4.271 -23.215 979 HB3 PRO 128 2HB PRO 128 2.142 5.270 -21.971 980 HG2 PRO 128 1HG PRO 128 3.918 6.074 -24.193 981 HG3 PRO 128 2HG PRO 128 2.860 7.074 -23.217 982 HD2 PRO 128 1HD PRO 128 5.711 6.860 -22.989 983 HD3 PRO 128 2HD PRO 128 4.641 7.769 -21.940 984 H SER 129 H SER 129 4.229 2.220 -20.507 985 HA SER 129 HA SER 129 6.584 1.302 -21.465 986 HB2 SER 129 1HB SER 129 5.455 0.016 -19.810 987 HB3 SER 129 2HB SER 129 3.987 -0.094 -20.761 988 HG SER 129 HG SER 129 5.695 -1.987 -20.624 989 H SER 130 H SER 130 7.319 0.297 -23.378 990 HA SER 130 HA SER 130 5.859 0.917 -25.691 991 HB2 SER 130 1HB SER 130 8.359 -0.760 -25.224 992 HB3 SER 130 2HB SER 130 7.727 -0.422 -26.823 993 HG SER 130 HG SER 130 8.066 1.825 -25.128 994 H GLY 131 H GLY 131 3.979 -0.184 -26.171 995 HA2 GLY 131 1HA GLY 131 3.175 -2.631 -25.262 996 HA3 GLY 131 2HA GLY 131 2.657 -1.906 -26.771 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -31.325 -18.209 -25.541 2 HA2 GLY 1 1HA GLY 1 -30.286 -18.178 -23.541 3 HA3 GLY 1 2HA GLY 1 -29.184 -16.963 -24.157 4 H SER 2 H SER 2 -29.422 -16.094 -21.877 5 HA SER 2 HA SER 2 -30.133 -14.561 -20.515 6 HB2 SER 2 1HB SER 2 -30.436 -13.352 -22.879 7 HB3 SER 2 2HB SER 2 -32.139 -13.445 -22.474 8 HG SER 2 HG SER 2 -31.069 -12.555 -20.247 9 H SER 3 H SER 3 -31.143 -16.249 -19.202 10 HA SER 3 HA SER 3 -34.051 -16.171 -19.425 11 HB2 SER 3 1HB SER 3 -34.074 -18.482 -18.489 12 HB3 SER 3 2HB SER 3 -33.250 -18.399 -20.033 13 HG SER 3 HG SER 3 -31.323 -17.965 -18.270 14 H GLY 4 H GLY 4 -35.051 -15.288 -17.648 15 HA2 GLY 4 1HA GLY 4 -35.367 -15.309 -15.280 16 HA3 GLY 4 2HA GLY 4 -33.632 -15.432 -15.062 17 H SER 5 H SER 5 -32.383 -13.523 -16.367 18 HA SER 5 HA SER 5 -33.829 -11.087 -15.667 19 HB2 SER 5 1HB SER 5 -31.513 -12.009 -14.483 20 HB3 SER 5 2HB SER 5 -30.855 -10.975 -15.735 21 HG SER 5 HG SER 5 -32.910 -9.625 -14.609 22 H SER 6 H SER 6 -33.796 -9.378 -17.185 23 HA SER 6 HA SER 6 -32.033 -9.605 -19.430 24 HB2 SER 6 1HB SER 6 -33.935 -9.429 -21.086 25 HB3 SER 6 2HB SER 6 -33.831 -10.978 -20.273 26 HG SER 6 HG SER 6 -35.428 -9.841 -18.672 27 H GLY 7 H GLY 7 -31.515 -7.550 -20.223 28 HA2 GLY 7 1HA GLY 7 -32.430 -5.326 -20.759 29 HA3 GLY 7 2HA GLY 7 -33.126 -5.309 -19.151 30 H HIS 8 H HIS 8 -30.134 -5.076 -21.054 31 HA HIS 8 HA HIS 8 -28.561 -4.671 -18.663 32 HB2 HIS 8 1HB HIS 8 -26.689 -4.420 -20.318 33 HB3 HIS 8 2HB HIS 8 -27.492 -5.977 -20.316 34 HD1 HIS 8 1HD HIS 8 -28.689 -2.829 -22.129 35 HD2 HIS 8 2HD HIS 8 -27.233 -6.674 -22.966 36 HE1 HIS 8 1HE HIS 8 -28.902 -3.141 -24.652 37 H SER 9 H SER 9 -27.313 -2.688 -18.300 38 HA SER 9 HA SER 9 -28.534 -0.404 -19.639 39 HB2 SER 9 1HB SER 9 -28.971 -1.045 -16.999 40 HB3 SER 9 2HB SER 9 -27.572 0.001 -16.847 41 HG SER 9 HG SER 9 -29.950 0.713 -18.339 42 H HIS 10 H HIS 10 -27.109 1.558 -19.699 43 HA HIS 10 HA HIS 10 -24.632 1.046 -20.653 44 HB2 HIS 10 1HB HIS 10 -24.267 3.352 -20.630 45 HB3 HIS 10 2HB HIS 10 -26.008 3.187 -20.733 46 HD1 HIS 10 1HD HIS 10 -27.178 3.208 -18.120 47 HD2 HIS 10 2HD HIS 10 -23.538 5.191 -18.761 48 HE1 HIS 10 1HE HIS 10 -26.938 4.895 -16.220 49 H SER 11 H SER 11 -22.670 0.466 -19.838 50 HA SER 11 HA SER 11 -21.947 1.230 -17.210 51 HB2 SER 11 1HB SER 11 -23.357 -1.204 -17.432 52 HB3 SER 11 2HB SER 11 -21.676 -1.690 -17.328 53 HG SER 11 HG SER 11 -21.962 -1.418 -15.218 54 H ASP 12 H ASP 12 -20.291 2.206 -18.636 55 HA ASP 12 HA ASP 12 -18.313 0.203 -19.386 56 HB2 ASP 12 1HB ASP 12 -19.558 2.361 -20.996 57 HB3 ASP 12 2HB ASP 12 -17.806 2.397 -21.043 58 H LYS 13 H LYS 13 -17.467 0.752 -17.154 59 HA LYS 13 HA LYS 13 -15.842 3.172 -17.276 60 HB2 LYS 13 1HB LYS 13 -17.868 2.491 -15.161 61 HB3 LYS 13 2HB LYS 13 -16.418 3.373 -14.726 62 HG2 LYS 13 1HG LYS 13 -17.546 4.502 -17.164 63 HG3 LYS 13 2HG LYS 13 -18.790 4.410 -15.934 64 HD2 LYS 13 1HD LYS 13 -17.896 6.402 -15.229 65 HD3 LYS 13 2HD LYS 13 -16.734 5.375 -14.414 66 HE2 LYS 13 1HE LYS 13 -15.436 6.992 -15.632 67 HE3 LYS 13 2HE LYS 13 -15.285 5.492 -16.524 68 HZ1 LYS 13 1HZ LYS 13 -17.276 7.552 -17.167 69 HZ2 LYS 13 2HZ LYS 13 -15.815 7.449 -17.890 70 HZ3 LYS 13 3HZ LYS 13 -16.898 6.238 -18.061 71 H HIS 14 H HIS 14 -14.166 1.635 -17.881 72 HA HIS 14 HA HIS 14 -13.501 -0.646 -16.628 73 HB2 HIS 14 1HB HIS 14 -11.601 1.507 -17.598 74 HB3 HIS 14 2HB HIS 14 -11.162 -0.160 -17.285 75 HD1 HIS 14 1HD HIS 14 -13.080 -1.869 -18.711 76 HD2 HIS 14 2HD HIS 14 -11.935 1.852 -20.273 77 HE1 HIS 14 1HE HIS 14 -13.563 -1.966 -21.214 78 HA PRO 15 HA PRO 15 -12.365 0.372 -12.580 79 HB2 PRO 15 1HB PRO 15 -10.821 -1.780 -11.909 80 HB3 PRO 15 2HB PRO 15 -12.573 -1.816 -11.894 81 HG2 PRO 15 1HG PRO 15 -10.711 -3.004 -13.859 82 HG3 PRO 15 2HG PRO 15 -12.402 -3.375 -13.586 83 HD2 PRO 15 1HD PRO 15 -11.313 -1.813 -15.731 84 HD3 PRO 15 2HD PRO 15 -13.010 -2.087 -15.391 85 H VAL 16 H VAL 16 -9.775 -0.481 -14.760 86 HA VAL 16 HA VAL 16 -8.006 1.205 -13.143 87 HB VAL 16 HB VAL 16 -6.201 0.065 -14.129 88 HG11 VAL 16 1HG1 VAL 16 -7.595 -2.438 -14.034 89 HG12 VAL 16 2HG1 VAL 16 -6.536 -1.698 -12.809 90 HG13 VAL 16 3HG1 VAL 16 -8.282 -1.353 -12.801 91 HG21 VAL 16 1HG2 VAL 16 -6.909 0.068 -16.453 92 HG22 VAL 16 2HG2 VAL 16 -6.461 -1.584 -15.967 93 HG23 VAL 16 3HG2 VAL 16 -8.177 -1.131 -16.101 94 H THR 17 H THR 17 -6.650 2.801 -14.257 95 HA THR 17 HA THR 17 -7.420 3.502 -16.956 96 HB THR 17 HB THR 17 -7.789 5.952 -15.788 97 HG1 THR 17 1HG THR 17 -7.541 4.793 -13.672 98 HG21 THR 17 1HG2 THR 17 -9.430 4.287 -17.181 99 HG22 THR 17 2HG2 THR 17 -10.155 4.104 -15.566 100 HG23 THR 17 3HG2 THR 17 -10.049 5.715 -16.317 101 H TRP 18 H TRP 18 -5.604 3.938 -18.022 102 HA TRP 18 HA TRP 18 -3.336 4.888 -16.418 103 HB2 TRP 18 1HB TRP 18 -3.477 3.328 -18.997 104 HB3 TRP 18 2HB TRP 18 -2.004 4.079 -18.415 105 HD1 TRP 18 HD TRP 18 -4.337 1.126 -17.649 106 HE1 TRP 18 1HE TRP 18 -3.230 -0.563 -15.951 107 HE3 TRP 18 3HE TRP 18 -0.338 4.059 -16.525 108 HZ2 TRP 18 2HZ TRP 18 -0.859 -0.485 -14.363 109 HZ3 TRP 18 3HZ TRP 18 1.326 3.178 -14.891 110 HH2 TRP 18 HH TRP 18 1.114 0.990 -13.824 111 H GLN 19 H GLN 19 -3.204 7.096 -16.511 112 HA GLN 19 HA GLN 19 -3.488 8.264 -19.159 113 HB2 GLN 19 1HB GLN 19 -4.472 9.788 -16.743 114 HB3 GLN 19 2HB GLN 19 -4.904 9.998 -18.428 115 HG2 GLN 19 1HG GLN 19 -6.788 8.826 -17.866 116 HG3 GLN 19 2HG GLN 19 -5.760 7.417 -18.033 117 HE21 GLN 19 1HE2 GLN 19 -7.930 8.878 -16.101 118 HE22 GLN 19 2HE2 GLN 19 -7.504 8.244 -14.546 119 HA PRO 20 HA PRO 20 0.197 10.270 -18.050 120 HB2 PRO 20 1HB PRO 20 0.198 12.411 -19.749 121 HB3 PRO 20 2HB PRO 20 0.665 10.795 -20.243 122 HG2 PRO 20 1HG PRO 20 -1.836 12.260 -20.823 123 HG3 PRO 20 2HG PRO 20 -1.174 10.854 -21.633 124 HD2 PRO 20 1HD PRO 20 -3.342 10.889 -19.756 125 HD3 PRO 20 2HD PRO 20 -2.603 9.473 -20.478 126 H SER 21 H SER 21 1.262 12.073 -17.007 127 HA SER 21 HA SER 21 -0.516 13.167 -15.133 128 HB2 SER 21 1HB SER 21 1.446 14.224 -14.180 129 HB3 SER 21 2HB SER 21 1.899 12.613 -14.699 130 HG SER 21 HG SER 21 2.688 13.648 -16.733 131 H LYS 22 H LYS 22 0.190 15.816 -14.722 132 HA LYS 22 HA LYS 22 -1.378 17.156 -16.579 133 HB2 LYS 22 1HB LYS 22 0.022 17.730 -14.142 134 HB3 LYS 22 2HB LYS 22 0.373 19.002 -15.294 135 HG2 LYS 22 1HG LYS 22 -2.341 18.649 -15.706 136 HG3 LYS 22 2HG LYS 22 -2.210 18.282 -13.997 137 HD2 LYS 22 1HD LYS 22 -1.246 20.437 -13.498 138 HD3 LYS 22 2HD LYS 22 -0.926 20.773 -15.188 139 HE2 LYS 22 1HE LYS 22 -3.719 20.264 -15.060 140 HE3 LYS 22 2HE LYS 22 -3.372 21.241 -13.647 141 HZ1 LYS 22 1HZ LYS 22 -3.531 22.875 -15.141 142 HZ2 LYS 22 2HZ LYS 22 -1.974 22.519 -15.479 143 HZ3 LYS 22 3HZ LYS 22 -3.169 21.936 -16.427 144 H ASP 23 H ASP 23 2.198 16.776 -16.310 145 HA ASP 23 HA ASP 23 2.736 18.521 -18.422 146 HB2 ASP 23 1HB ASP 23 4.233 16.378 -16.920 147 HB3 ASP 23 2HB ASP 23 4.919 16.927 -18.436 148 H GLY 24 H GLY 24 3.176 14.900 -18.215 149 HA2 GLY 24 1HA GLY 24 1.798 13.687 -19.961 150 HA3 GLY 24 2HA GLY 24 2.603 14.740 -21.108 151 H ASP 25 H ASP 25 5.103 14.684 -19.236 152 HA ASP 25 HA ASP 25 6.428 12.701 -20.643 153 HB2 ASP 25 1HB ASP 25 7.096 14.223 -18.088 154 HB3 ASP 25 2HB ASP 25 8.224 13.094 -18.811 155 H ARG 26 H ARG 26 4.825 12.854 -17.436 156 HA ARG 26 HA ARG 26 5.779 10.206 -16.813 157 HB2 ARG 26 1HB ARG 26 4.533 12.472 -15.289 158 HB3 ARG 26 2HB ARG 26 4.143 10.865 -14.711 159 HG2 ARG 26 1HG ARG 26 7.000 11.809 -15.228 160 HG3 ARG 26 2HG ARG 26 6.220 11.923 -13.663 161 HD2 ARG 26 1HD ARG 26 6.305 9.632 -13.290 162 HD3 ARG 26 2HD ARG 26 6.092 9.234 -14.983 163 HE ARG 26 HE ARG 26 8.426 9.363 -15.308 164 HH11 ARG 26 2HH2 ARG 26 7.573 10.626 -12.136 165 HH12 ARG 26 1HH2 ARG 26 9.212 10.690 -11.580 166 HH21 ARG 26 2HH1 ARG 26 10.589 9.447 -14.575 167 HH22 ARG 26 1HH1 ARG 26 10.939 10.015 -12.976 168 H LEU 27 H LEU 27 4.046 8.635 -15.847 169 HA LEU 27 HA LEU 27 1.491 8.986 -17.241 170 HB2 LEU 27 1HB LEU 27 3.456 7.259 -18.079 171 HB3 LEU 27 2HB LEU 27 2.466 6.227 -17.067 172 HG LEU 27 HG LEU 27 1.366 5.889 -19.008 173 HD11 LEU 27 1HD1 LEU 27 -0.061 8.471 -18.876 174 HD12 LEU 27 2HD1 LEU 27 -0.680 6.803 -18.819 175 HD13 LEU 27 3HD1 LEU 27 0.001 7.550 -17.354 176 HD21 LEU 27 1HD2 LEU 27 1.172 8.050 -20.646 177 HD22 LEU 27 2HD2 LEU 27 2.728 8.369 -19.844 178 HD23 LEU 27 3HD2 LEU 27 2.473 6.838 -20.717 179 H ILE 28 H ILE 28 -0.147 8.983 -15.806 180 HA ILE 28 HA ILE 28 0.373 7.760 -13.205 181 HB ILE 28 HB ILE 28 -1.819 9.655 -14.055 182 HG12 ILE 28 1HG1 ILE 28 0.105 10.943 -14.292 183 HG13 ILE 28 2HG1 ILE 28 -0.420 11.295 -12.657 184 HG21 ILE 28 1HG2 ILE 28 -2.644 9.569 -11.970 185 HG22 ILE 28 2HG2 ILE 28 -1.813 7.997 -11.896 186 HG23 ILE 28 3HG2 ILE 28 -1.034 9.448 -11.221 187 HD11 ILE 28 1HD1 ILE 28 1.950 10.896 -12.533 188 HD12 ILE 28 2HD1 ILE 28 1.171 9.444 -11.860 189 HD13 ILE 28 3HD1 ILE 28 1.820 9.419 -13.517 190 H GLY 29 H GLY 29 -0.230 5.672 -13.019 191 HA2 GLY 29 1HA GLY 29 -2.527 4.751 -14.616 192 HA3 GLY 29 2HA GLY 29 -1.257 3.752 -13.937 193 H ARG 30 H ARG 30 -4.275 3.648 -13.633 194 HA ARG 30 HA ARG 30 -4.253 3.759 -10.727 195 HB2 ARG 30 1HB ARG 30 -5.967 5.211 -12.531 196 HB3 ARG 30 2HB ARG 30 -6.961 4.000 -11.746 197 HG2 ARG 30 1HG ARG 30 -6.107 4.776 -9.509 198 HG3 ARG 30 2HG ARG 30 -5.163 6.014 -10.314 199 HD2 ARG 30 1HD ARG 30 -8.147 5.838 -10.835 200 HD3 ARG 30 2HD ARG 30 -7.571 6.600 -9.366 201 HE ARG 30 HE ARG 30 -6.164 7.592 -11.715 202 HH11 ARG 30 2HH2 ARG 30 -9.127 7.915 -9.843 203 HH12 ARG 30 1HH2 ARG 30 -9.430 9.539 -10.364 204 HH21 ARG 30 2HH1 ARG 30 -6.564 9.735 -12.402 205 HH22 ARG 30 1HH1 ARG 30 -7.962 10.581 -11.829 206 H ILE 31 H ILE 31 -4.818 1.813 -9.759 207 HA ILE 31 HA ILE 31 -6.105 -0.172 -11.503 208 HB ILE 31 HB ILE 31 -3.881 -0.479 -9.498 209 HG12 ILE 31 1HG1 ILE 31 -2.962 -1.782 -11.562 210 HG13 ILE 31 2HG1 ILE 31 -4.175 -0.897 -12.465 211 HG21 ILE 31 1HG2 ILE 31 -5.194 -2.286 -8.884 212 HG22 ILE 31 2HG2 ILE 31 -5.818 -2.531 -10.534 213 HG23 ILE 31 3HG2 ILE 31 -4.141 -2.980 -10.140 214 HD11 ILE 31 1HD1 ILE 31 -1.773 0.138 -12.191 215 HD12 ILE 31 2HD1 ILE 31 -3.192 1.198 -12.012 216 HD13 ILE 31 3HD1 ILE 31 -2.344 0.595 -10.568 217 H LEU 32 H LEU 32 -8.202 -0.312 -10.897 218 HA LEU 32 HA LEU 32 -8.838 0.105 -8.089 219 HB2 LEU 32 1HB LEU 32 -10.051 1.322 -9.867 220 HB3 LEU 32 2HB LEU 32 -10.638 -0.205 -10.495 221 HG LEU 32 HG LEU 32 -12.040 1.348 -8.815 222 HD11 LEU 32 1HD1 LEU 32 -13.523 -0.251 -9.210 223 HD12 LEU 32 2HD1 LEU 32 -12.213 -1.284 -9.830 224 HD13 LEU 32 3HD1 LEU 32 -12.673 -1.364 -8.112 225 HD21 LEU 32 1HD2 LEU 32 -10.241 0.997 -7.045 226 HD22 LEU 32 2HD2 LEU 32 -11.927 0.706 -6.553 227 HD23 LEU 32 3HD2 LEU 32 -10.852 -0.669 -6.906 228 H LEU 33 H LEU 33 -9.132 -1.552 -6.700 229 HA LEU 33 HA LEU 33 -9.524 -4.201 -7.906 230 HB2 LEU 33 1HB LEU 33 -7.944 -3.230 -5.566 231 HB3 LEU 33 2HB LEU 33 -8.633 -4.840 -5.502 232 HG LEU 33 HG LEU 33 -6.898 -5.619 -6.639 233 HD11 LEU 33 1HD1 LEU 33 -6.518 -4.930 -9.023 234 HD12 LEU 33 2HD1 LEU 33 -8.181 -5.436 -8.639 235 HD13 LEU 33 3HD1 LEU 33 -7.793 -3.707 -8.807 236 HD21 LEU 33 1HD2 LEU 33 -5.147 -3.881 -7.537 237 HD22 LEU 33 2HD2 LEU 33 -6.108 -2.730 -6.578 238 HD23 LEU 33 3HD2 LEU 33 -5.361 -4.139 -5.788 239 H ASN 34 H ASN 34 -11.468 -5.143 -7.596 240 HA ASN 34 HA ASN 34 -13.195 -3.885 -5.648 241 HB2 ASN 34 1HB ASN 34 -13.957 -4.272 -8.051 242 HB3 ASN 34 2HB ASN 34 -13.849 -5.998 -7.768 243 HD21 ASN 34 1HD2 ASN 34 -15.338 -3.011 -6.592 244 HD22 ASN 34 2HD2 ASN 34 -16.815 -3.703 -6.010 245 H LYS 35 H LYS 35 -14.765 -5.574 -4.495 246 HA LYS 35 HA LYS 35 -13.451 -8.124 -4.017 247 HB2 LYS 35 1HB LYS 35 -14.219 -6.364 -1.683 248 HB3 LYS 35 2HB LYS 35 -13.320 -7.868 -1.660 249 HG2 LYS 35 1HG LYS 35 -11.476 -6.763 -2.969 250 HG3 LYS 35 2HG LYS 35 -12.371 -5.257 -2.935 251 HD2 LYS 35 1HD LYS 35 -11.444 -4.778 -0.925 252 HD3 LYS 35 2HD LYS 35 -12.283 -6.151 -0.231 253 HE2 LYS 35 1HE LYS 35 -10.089 -6.768 0.241 254 HE3 LYS 35 2HE LYS 35 -10.272 -7.539 -1.322 255 HZ1 LYS 35 1HZ LYS 35 -9.250 -5.647 -2.342 256 HZ2 LYS 35 2HZ LYS 35 -9.149 -4.854 -0.918 257 HZ3 LYS 35 3HZ LYS 35 -8.269 -6.207 -1.163 258 H ARG 36 H ARG 36 -16.214 -5.894 -3.333 259 HA ARG 36 HA ARG 36 -18.013 -7.493 -2.307 260 HB2 ARG 36 1HB ARG 36 -18.217 -5.386 -4.462 261 HB3 ARG 36 2HB ARG 36 -19.664 -6.298 -4.080 262 HG2 ARG 36 1HG ARG 36 -19.673 -5.559 -1.799 263 HG3 ARG 36 2HG ARG 36 -18.005 -5.025 -1.873 264 HD2 ARG 36 1HD ARG 36 -18.561 -2.995 -2.795 265 HD3 ARG 36 2HD ARG 36 -19.745 -3.698 -3.879 266 HE ARG 36 HE ARG 36 -20.864 -3.913 -1.305 267 HH11 ARG 36 2HH2 ARG 36 -19.775 -1.318 -3.418 268 HH12 ARG 36 1HH2 ARG 36 -20.890 -0.157 -2.778 269 HH21 ARG 36 2HH1 ARG 36 -22.335 -2.382 -0.461 270 HH22 ARG 36 1HH1 ARG 36 -22.356 -0.766 -1.084 271 H LEU 37 H LEU 37 -18.564 -9.607 -2.744 272 HA LEU 37 HA LEU 37 -18.057 -10.785 -5.253 273 HB2 LEU 37 1HB LEU 37 -19.772 -11.799 -2.983 274 HB3 LEU 37 2HB LEU 37 -19.103 -12.749 -4.295 275 HG LEU 37 HG LEU 37 -17.077 -11.261 -2.761 276 HD11 LEU 37 1HD1 LEU 37 -17.368 -13.302 -1.001 277 HD12 LEU 37 2HD1 LEU 37 -17.993 -11.655 -0.744 278 HD13 LEU 37 3HD1 LEU 37 -19.072 -12.931 -1.359 279 HD21 LEU 37 1HD2 LEU 37 -17.361 -13.730 -4.266 280 HD22 LEU 37 2HD2 LEU 37 -15.904 -12.785 -3.878 281 HD23 LEU 37 3HD2 LEU 37 -16.518 -13.990 -2.720 282 H LYS 38 H LYS 38 -20.828 -12.274 -4.932 283 HA LYS 38 HA LYS 38 -22.102 -10.659 -6.936 284 HB2 LYS 38 1HB LYS 38 -21.940 -13.362 -6.432 285 HB3 LYS 38 2HB LYS 38 -23.559 -12.988 -5.877 286 HG2 LYS 38 1HG LYS 38 -23.377 -11.542 -8.268 287 HG3 LYS 38 2HG LYS 38 -22.473 -13.000 -8.628 288 HD2 LYS 38 1HD LYS 38 -24.749 -13.934 -7.244 289 HD3 LYS 38 2HD LYS 38 -25.370 -12.650 -8.261 290 HE2 LYS 38 1HE LYS 38 -24.741 -13.729 -10.258 291 HE3 LYS 38 2HE LYS 38 -23.460 -14.644 -9.488 292 HZ1 LYS 38 1HZ LYS 38 -26.315 -15.168 -9.496 293 HZ2 LYS 38 2HZ LYS 38 -25.072 -16.203 -9.718 294 HZ3 LYS 38 3HZ LYS 38 -25.440 -15.679 -8.216 295 H ASP 39 H ASP 39 -22.684 -11.650 -3.517 296 HA ASP 39 HA ASP 39 -25.154 -10.308 -3.407 297 HB2 ASP 39 1HB ASP 39 -23.247 -11.541 -1.410 298 HB3 ASP 39 2HB ASP 39 -24.530 -10.510 -0.807 299 H GLY 40 H GLY 40 -21.737 -9.476 -2.994 300 HA2 GLY 40 1HA GLY 40 -20.757 -7.440 -2.828 301 HA3 GLY 40 2HA GLY 40 -22.335 -6.679 -2.799 302 H SER 41 H SER 41 -20.639 -9.091 -0.660 303 HA SER 41 HA SER 41 -21.158 -7.231 1.525 304 HB2 SER 41 1HB SER 41 -22.520 -9.538 1.306 305 HB3 SER 41 2HB SER 41 -21.075 -10.196 2.047 306 HG SER 41 HG SER 41 -22.869 -9.426 3.520 307 H VAL 42 H VAL 42 -18.846 -8.526 -0.429 308 HA VAL 42 HA VAL 42 -16.665 -8.848 -0.294 309 HB VAL 42 HB VAL 42 -17.100 -7.208 2.197 310 HG11 VAL 42 1HG1 VAL 42 -15.020 -7.580 2.905 311 HG12 VAL 42 2HG1 VAL 42 -14.811 -8.796 1.622 312 HG13 VAL 42 3HG1 VAL 42 -14.370 -7.098 1.320 313 HG21 VAL 42 1HG2 VAL 42 -16.324 -5.373 0.906 314 HG22 VAL 42 2HG2 VAL 42 -15.730 -6.437 -0.392 315 HG23 VAL 42 3HG2 VAL 42 -17.480 -6.245 -0.129 316 HA PRO 43 HA PRO 43 -16.444 -12.541 1.991 317 HB2 PRO 43 1HB PRO 43 -14.114 -13.508 0.940 318 HB3 PRO 43 2HB PRO 43 -15.672 -13.708 0.163 319 HG2 PRO 43 1HG PRO 43 -13.467 -11.874 -0.552 320 HG3 PRO 43 2HG PRO 43 -14.824 -12.394 -1.532 321 HD2 PRO 43 1HD PRO 43 -14.521 -9.858 -0.227 322 HD3 PRO 43 2HD PRO 43 -15.926 -10.421 -1.109 323 H ARG 44 H ARG 44 -15.244 -13.667 3.660 324 HA ARG 44 HA ARG 44 -14.382 -12.003 5.552 325 HB2 ARG 44 1HB ARG 44 -14.303 -14.843 5.059 326 HB3 ARG 44 2HB ARG 44 -12.741 -14.390 5.712 327 HG2 ARG 44 1HG ARG 44 -15.096 -13.166 7.088 328 HG3 ARG 44 2HG ARG 44 -14.959 -14.906 7.251 329 HD2 ARG 44 1HD ARG 44 -13.101 -14.764 8.594 330 HD3 ARG 44 2HD ARG 44 -12.378 -13.491 7.631 331 HE ARG 44 HE ARG 44 -13.359 -11.888 9.035 332 HH11 ARG 44 2HH2 ARG 44 -14.893 -15.009 9.574 333 HH12 ARG 44 1HH2 ARG 44 -15.792 -14.472 10.954 334 HH21 ARG 44 2HH1 ARG 44 -14.545 -11.180 10.856 335 HH22 ARG 44 1HH1 ARG 44 -15.593 -12.280 11.688 336 H ASP 45 H ASP 45 -12.282 -13.755 3.152 337 HA ASP 45 HA ASP 45 -10.016 -12.250 4.045 338 HB2 ASP 45 1HB ASP 45 -9.088 -13.546 1.859 339 HB3 ASP 45 2HB ASP 45 -9.232 -14.323 3.422 340 H SER 46 H SER 46 -11.143 -13.052 0.680 341 HA SER 46 HA SER 46 -11.504 -11.840 -1.089 342 HB2 SER 46 1HB SER 46 -12.451 -9.696 -0.950 343 HB3 SER 46 2HB SER 46 -12.819 -10.372 0.624 344 HG SER 46 HG SER 46 -11.562 -8.912 1.576 345 H GLY 47 H GLY 47 -9.008 -12.638 -0.972 346 HA2 GLY 47 1HA GLY 47 -6.805 -12.184 -1.283 347 HA3 GLY 47 2HA GLY 47 -7.446 -11.090 -2.493 348 H ALA 48 H ALA 48 -6.617 -11.314 1.023 349 HA ALA 48 HA ALA 48 -6.841 -8.677 1.704 350 HB1 ALA 48 1HB ALA 48 -4.861 -10.818 2.566 351 HB2 ALA 48 2HB ALA 48 -5.028 -9.246 3.385 352 HB3 ALA 48 3HB ALA 48 -6.400 -10.380 3.347 353 H MET 49 H MET 49 -3.872 -10.359 0.441 354 HA MET 49 HA MET 49 -2.627 -7.812 0.070 355 HB2 MET 49 1HB MET 49 -1.883 -10.674 0.104 356 HB3 MET 49 2HB MET 49 -1.099 -9.834 -1.219 357 HG2 MET 49 1HG MET 49 -0.857 -8.078 1.000 358 HG3 MET 49 2HG MET 49 -0.545 -9.673 1.654 359 HE1 MET 49 1HE MET 49 2.616 -7.297 0.332 360 HE2 MET 49 2HE MET 49 1.136 -6.744 -0.489 361 HE3 MET 49 3HE MET 49 1.118 -7.059 1.263 362 H LEU 50 H LEU 50 -5.109 -8.997 -1.539 363 HA LEU 50 HA LEU 50 -5.933 -8.699 -3.567 364 HB2 LEU 50 1HB LEU 50 -3.424 -7.070 -3.946 365 HB3 LEU 50 2HB LEU 50 -4.645 -7.241 -5.191 366 HG LEU 50 HG LEU 50 -4.793 -5.140 -3.845 367 HD11 LEU 50 1HD1 LEU 50 -6.840 -5.206 -4.702 368 HD12 LEU 50 2HD1 LEU 50 -6.921 -6.977 -4.544 369 HD13 LEU 50 3HD1 LEU 50 -7.387 -5.939 -3.175 370 HD21 LEU 50 1HD2 LEU 50 -5.706 -5.210 -1.586 371 HD22 LEU 50 2HD2 LEU 50 -5.674 -6.989 -1.610 372 HD23 LEU 50 3HD2 LEU 50 -4.150 -6.071 -1.669 373 H GLY 51 H GLY 51 -2.354 -9.173 -4.032 374 HA2 GLY 51 1HA GLY 51 -2.449 -11.831 -4.764 375 HA3 GLY 51 2HA GLY 51 -2.731 -10.930 -6.241 376 H LEU 52 H LEU 52 -1.131 -8.551 -5.340 377 HA LEU 52 HA LEU 52 1.481 -9.715 -5.913 378 HB2 LEU 52 1HB LEU 52 2.010 -7.801 -6.986 379 HB3 LEU 52 2HB LEU 52 0.274 -7.801 -7.226 380 HG LEU 52 HG LEU 52 0.364 -6.371 -4.952 381 HD11 LEU 52 1HD1 LEU 52 2.464 -5.902 -4.359 382 HD12 LEU 52 2HD1 LEU 52 3.120 -6.407 -5.935 383 HD13 LEU 52 3HD1 LEU 52 2.465 -4.765 -5.729 384 HD21 LEU 52 1HD2 LEU 52 0.059 -5.838 -7.750 385 HD22 LEU 52 2HD2 LEU 52 -0.666 -5.001 -6.356 386 HD23 LEU 52 3HD2 LEU 52 0.915 -4.478 -6.985 387 H LYS 53 H LYS 53 3.377 -8.386 -4.836 388 HA LYS 53 HA LYS 53 2.654 -8.015 -2.013 389 HB2 LYS 53 1HB LYS 53 4.099 -10.113 -2.921 390 HB3 LYS 53 2HB LYS 53 5.392 -8.954 -2.689 391 HG2 LYS 53 1HG LYS 53 4.003 -8.556 -0.364 392 HG3 LYS 53 2HG LYS 53 3.603 -10.237 -0.659 393 HD2 LYS 53 1HD LYS 53 5.811 -10.961 -0.421 394 HD3 LYS 53 2HD LYS 53 6.487 -9.444 -0.982 395 HE2 LYS 53 1HE LYS 53 6.954 -9.206 1.274 396 HE3 LYS 53 2HE LYS 53 5.346 -8.508 1.274 397 HZ1 LYS 53 1HZ LYS 53 5.036 -11.232 1.511 398 HZ2 LYS 53 2HZ LYS 53 6.225 -10.823 2.553 399 HZ3 LYS 53 3HZ LYS 53 4.764 -10.098 2.655 400 H VAL 54 H VAL 54 2.684 -5.853 -1.656 401 HA VAL 54 HA VAL 54 4.588 -4.238 -3.134 402 HB VAL 54 HB VAL 54 2.408 -3.483 -1.176 403 HG11 VAL 54 1HG1 VAL 54 3.161 -1.390 -1.303 404 HG12 VAL 54 2HG1 VAL 54 4.542 -1.956 -2.274 405 HG13 VAL 54 3HG1 VAL 54 3.044 -1.431 -3.079 406 HG21 VAL 54 1HG2 VAL 54 1.514 -4.636 -3.159 407 HG22 VAL 54 2HG2 VAL 54 1.068 -2.912 -3.146 408 HG23 VAL 54 3HG2 VAL 54 2.371 -3.487 -4.214 409 H VAL 55 H VAL 55 6.313 -3.108 -2.209 410 HA VAL 55 HA VAL 55 6.810 -3.740 0.618 411 HB VAL 55 HB VAL 55 8.561 -3.935 -1.801 412 HG11 VAL 55 1HG1 VAL 55 10.559 -3.973 -0.287 413 HG12 VAL 55 2HG1 VAL 55 9.800 -2.371 -0.452 414 HG13 VAL 55 3HG1 VAL 55 9.523 -3.341 1.015 415 HG21 VAL 55 1HG2 VAL 55 7.480 -5.948 -0.846 416 HG22 VAL 55 2HG2 VAL 55 9.257 -6.025 -0.764 417 HG23 VAL 55 3HG2 VAL 55 8.314 -5.644 0.697 418 H GLY 56 H GLY 56 6.598 -1.909 1.791 419 HA2 GLY 56 1HA GLY 56 7.190 0.656 0.478 420 HA3 GLY 56 2HA GLY 56 6.218 0.409 1.916 421 H GLY 57 H GLY 57 7.851 2.306 2.476 422 HA2 GLY 57 1HA GLY 57 9.506 2.988 3.835 423 HA3 GLY 57 2HA GLY 57 9.605 1.349 4.446 424 H LYS 58 H LYS 58 9.953 1.481 1.008 425 HA LYS 58 HA LYS 58 12.623 0.576 1.162 426 HB2 LYS 58 1HB LYS 58 11.091 -0.199 -0.560 427 HB3 LYS 58 2HB LYS 58 10.906 1.427 -1.187 428 HG2 LYS 58 1HG LYS 58 12.669 1.013 -2.554 429 HG3 LYS 58 2HG LYS 58 13.697 1.047 -1.136 430 HD2 LYS 58 1HD LYS 58 12.223 -1.472 -2.019 431 HD3 LYS 58 2HD LYS 58 13.826 -1.073 -2.604 432 HE2 LYS 58 1HE LYS 58 13.796 -0.777 0.283 433 HE3 LYS 58 2HE LYS 58 13.119 -2.341 -0.126 434 HZ1 LYS 58 1HZ LYS 58 15.253 -2.111 -1.761 435 HZ2 LYS 58 2HZ LYS 58 15.790 -1.433 -0.375 436 HZ3 LYS 58 3HZ LYS 58 15.212 -2.960 -0.366 437 H MET 59 H MET 59 14.540 1.659 1.066 438 HA MET 59 HA MET 59 14.324 4.534 1.023 439 HB2 MET 59 1HB MET 59 15.797 2.763 2.552 440 HB3 MET 59 2HB MET 59 16.984 3.164 1.328 441 HG2 MET 59 1HG MET 59 17.373 4.834 2.945 442 HG3 MET 59 2HG MET 59 16.321 5.666 1.817 443 HE1 MET 59 1HE MET 59 14.935 7.379 4.503 444 HE2 MET 59 2HE MET 59 15.467 7.235 2.810 445 HE3 MET 59 3HE MET 59 13.766 6.931 3.237 446 H THR 60 H THR 60 14.484 5.574 -0.915 447 HA THR 60 HA THR 60 15.783 4.264 -3.133 448 HB THR 60 HB THR 60 14.825 6.140 -4.390 449 HG1 THR 60 1HG THR 60 14.022 7.211 -1.804 450 HG21 THR 60 1HG2 THR 60 13.102 4.504 -3.562 451 HG22 THR 60 2HG2 THR 60 12.947 5.456 -2.066 452 HG23 THR 60 3HG2 THR 60 12.457 6.162 -3.625 453 H GLU 61 H GLU 61 16.836 6.556 -4.470 454 HA GLU 61 HA GLU 61 19.301 6.713 -2.973 455 HB2 GLU 61 1HB GLU 61 20.112 7.758 -5.211 456 HB3 GLU 61 2HB GLU 61 19.721 6.049 -5.195 457 HG2 GLU 61 1HG GLU 61 17.790 6.326 -6.464 458 HG3 GLU 61 2HG GLU 61 17.464 7.925 -5.827 459 H SER 62 H SER 62 16.476 8.414 -3.035 460 HA SER 62 HA SER 62 17.850 10.980 -2.892 461 HB2 SER 62 1HB SER 62 15.508 10.217 -4.269 462 HB3 SER 62 2HB SER 62 14.918 11.112 -2.883 463 HG SER 62 HG SER 62 16.631 12.772 -3.532 464 H GLY 63 H GLY 63 17.121 8.521 -0.913 465 HA2 GLY 63 1HA GLY 63 16.951 8.406 1.338 466 HA3 GLY 63 2HA GLY 63 16.950 10.156 1.422 467 H ARG 64 H ARG 64 14.603 9.161 -0.846 468 HA ARG 64 HA ARG 64 12.559 9.748 1.083 469 HB2 ARG 64 1HB ARG 64 12.904 10.030 -1.807 470 HB3 ARG 64 2HB ARG 64 11.396 9.204 -1.471 471 HG2 ARG 64 1HG ARG 64 12.054 11.642 0.178 472 HG3 ARG 64 2HG ARG 64 11.569 11.892 -1.487 473 HD2 ARG 64 1HD ARG 64 9.706 10.004 -0.539 474 HD3 ARG 64 2HD ARG 64 9.935 11.077 0.828 475 HE ARG 64 HE ARG 64 8.569 11.721 -1.631 476 HH11 ARG 64 2HH2 ARG 64 10.647 13.142 0.828 477 HH12 ARG 64 1HH2 ARG 64 10.068 14.753 0.568 478 HH21 ARG 64 2HH1 ARG 64 7.806 13.848 -1.975 479 HH22 ARG 64 1HH1 ARG 64 8.442 15.158 -1.037 480 H LEU 65 H LEU 65 10.488 8.382 1.055 481 HA LEU 65 HA LEU 65 11.206 5.563 0.650 482 HB2 LEU 65 1HB LEU 65 9.311 6.786 2.661 483 HB3 LEU 65 2HB LEU 65 9.607 5.072 2.448 484 HG LEU 65 HG LEU 65 11.769 7.048 3.215 485 HD11 LEU 65 1HD1 LEU 65 9.642 6.549 4.805 486 HD12 LEU 65 2HD1 LEU 65 10.706 5.200 5.268 487 HD13 LEU 65 3HD1 LEU 65 11.284 6.877 5.409 488 HD21 LEU 65 1HD2 LEU 65 12.641 4.710 4.158 489 HD22 LEU 65 2HD2 LEU 65 11.652 4.101 2.808 490 HD23 LEU 65 3HD2 LEU 65 12.968 5.258 2.496 491 H CYS 66 H CYS 66 9.713 4.190 -0.388 492 HA CYS 66 HA CYS 66 7.166 5.216 -1.153 493 HB2 CYS 66 1HB CYS 66 8.971 6.176 -2.818 494 HB3 CYS 66 2HB CYS 66 8.926 4.563 -3.502 495 HG CYS 66 HG CYS 66 6.114 6.028 -2.686 496 H ALA 67 H ALA 67 5.927 3.457 -2.342 497 HA ALA 67 HA ALA 67 6.994 0.847 -1.548 498 HB1 ALA 67 1HB ALA 67 4.740 0.143 -1.345 499 HB2 ALA 67 2HB ALA 67 4.755 1.793 -0.678 500 HB3 ALA 67 3HB ALA 67 4.137 1.504 -2.322 501 H PHE 68 H PHE 68 7.595 -0.618 -3.078 502 HA PHE 68 HA PHE 68 6.719 -0.054 -5.824 503 HB2 PHE 68 1HB PHE 68 9.360 -1.286 -4.841 504 HB3 PHE 68 2HB PHE 68 8.996 -0.821 -6.492 505 HD1 PHE 68 2HD PHE 68 8.922 1.560 -7.123 506 HD2 PHE 68 1HD PHE 68 10.046 0.347 -3.215 507 HE1 PHE 68 2HE PHE 68 9.908 3.830 -6.702 508 HE2 PHE 68 1HE PHE 68 11.032 2.616 -2.794 509 HZ PHE 68 HZ PHE 68 10.951 4.331 -4.542 510 H ILE 69 H ILE 69 6.134 -1.839 -7.108 511 HA ILE 69 HA ILE 69 5.213 -4.091 -5.702 512 HB ILE 69 HB ILE 69 5.554 -3.582 -8.659 513 HG12 ILE 69 1HG1 ILE 69 3.091 -3.308 -6.913 514 HG13 ILE 69 2HG1 ILE 69 4.107 -1.968 -7.405 515 HG21 ILE 69 1HG2 ILE 69 3.501 -5.490 -7.741 516 HG22 ILE 69 2HG2 ILE 69 4.593 -5.552 -9.146 517 HG23 ILE 69 3HG2 ILE 69 5.184 -6.034 -7.537 518 HD11 ILE 69 1HD1 ILE 69 2.011 -2.479 -8.851 519 HD12 ILE 69 2HD1 ILE 69 3.549 -2.219 -9.708 520 HD13 ILE 69 3HD1 ILE 69 2.934 -3.872 -9.463 521 H THR 70 H THR 70 6.093 -6.094 -5.326 522 HA THR 70 HA THR 70 8.874 -6.422 -6.224 523 HB THR 70 HB THR 70 9.179 -7.690 -4.193 524 HG1 THR 70 1HG THR 70 7.390 -8.949 -3.823 525 HG21 THR 70 1HG2 THR 70 8.958 -5.935 -2.744 526 HG22 THR 70 2HG2 THR 70 8.079 -5.068 -4.026 527 HG23 THR 70 3HG2 THR 70 7.183 -6.037 -2.832 528 H LYS 71 H LYS 71 5.786 -8.249 -5.727 529 HA LYS 71 HA LYS 71 6.454 -9.762 -8.113 530 HB2 LYS 71 1HB LYS 71 7.382 -10.948 -6.033 531 HB3 LYS 71 2HB LYS 71 5.714 -11.232 -5.578 532 HG2 LYS 71 1HG LYS 71 5.408 -12.201 -7.982 533 HG3 LYS 71 2HG LYS 71 7.158 -12.212 -8.071 534 HD2 LYS 71 1HD LYS 71 6.880 -14.325 -7.185 535 HD3 LYS 71 2HD LYS 71 6.897 -13.437 -5.675 536 HE2 LYS 71 1HE LYS 71 4.709 -13.920 -5.243 537 HE3 LYS 71 2HE LYS 71 4.205 -13.468 -6.859 538 HZ1 LYS 71 1HZ LYS 71 4.410 -15.992 -5.879 539 HZ2 LYS 71 2HZ LYS 71 4.174 -15.580 -7.441 540 HZ3 LYS 71 3HZ LYS 71 5.685 -15.866 -6.891 541 H VAL 72 H VAL 72 4.583 -10.712 -9.127 542 HA VAL 72 HA VAL 72 2.052 -9.784 -7.961 543 HB VAL 72 HB VAL 72 2.893 -9.677 -10.865 544 HG11 VAL 72 1HG1 VAL 72 0.646 -9.931 -11.125 545 HG12 VAL 72 2HG1 VAL 72 0.278 -9.367 -9.477 546 HG13 VAL 72 3HG1 VAL 72 0.651 -8.189 -10.759 547 HG21 VAL 72 1HG2 VAL 72 2.249 -7.112 -10.112 548 HG22 VAL 72 2HG2 VAL 72 3.064 -7.736 -8.658 549 HG23 VAL 72 3HG2 VAL 72 3.899 -7.767 -10.230 550 H LYS 73 H LYS 73 0.748 -11.478 -7.523 551 HA LYS 73 HA LYS 73 1.398 -14.078 -8.317 552 HB2 LYS 73 1HB LYS 73 0.158 -13.527 -6.272 553 HB3 LYS 73 2HB LYS 73 -1.196 -12.950 -7.222 554 HG2 LYS 73 1HG LYS 73 -1.734 -15.211 -6.587 555 HG3 LYS 73 2HG LYS 73 -1.334 -15.263 -8.293 556 HD2 LYS 73 1HD LYS 73 1.145 -15.616 -6.967 557 HD3 LYS 73 2HD LYS 73 0.007 -16.569 -6.035 558 HE2 LYS 73 1HE LYS 73 -0.297 -18.097 -7.722 559 HE3 LYS 73 2HE LYS 73 -0.340 -16.866 -8.968 560 HZ1 LYS 73 1HZ LYS 73 2.168 -17.554 -7.632 561 HZ2 LYS 73 2HZ LYS 73 1.628 -18.421 -8.906 562 HZ3 LYS 73 3HZ LYS 73 1.954 -16.830 -9.080 563 H LYS 74 H LYS 74 0.845 -15.323 -10.061 564 HA LYS 74 HA LYS 74 -0.347 -13.942 -12.274 565 HB2 LYS 74 1HB LYS 74 1.513 -15.313 -12.784 566 HB3 LYS 74 2HB LYS 74 0.880 -16.673 -11.879 567 HG2 LYS 74 1HG LYS 74 -0.254 -17.425 -13.693 568 HG3 LYS 74 2HG LYS 74 -1.083 -15.891 -13.866 569 HD2 LYS 74 1HD LYS 74 0.398 -15.102 -15.462 570 HD3 LYS 74 2HD LYS 74 1.778 -15.909 -14.743 571 HE2 LYS 74 1HE LYS 74 1.589 -17.617 -16.223 572 HE3 LYS 74 2HE LYS 74 -0.039 -17.951 -15.668 573 HZ1 LYS 74 1HZ LYS 74 -0.929 -16.678 -17.303 574 HZ2 LYS 74 2HZ LYS 74 0.369 -15.698 -17.454 575 HZ3 LYS 74 3HZ LYS 74 0.404 -17.204 -18.085 576 H GLY 75 H GLY 75 -2.516 -13.568 -12.128 577 HA2 GLY 75 1HA GLY 75 -4.645 -14.459 -12.611 578 HA3 GLY 75 2HA GLY 75 -4.218 -15.945 -11.786 579 H SER 76 H SER 76 -3.876 -12.468 -10.786 580 HA SER 76 HA SER 76 -5.794 -13.015 -8.681 581 HB2 SER 76 1HB SER 76 -3.044 -11.770 -8.232 582 HB3 SER 76 2HB SER 76 -4.307 -11.868 -7.020 583 HG SER 76 HG SER 76 -3.427 -13.763 -6.547 584 H LEU 77 H LEU 77 -6.467 -10.863 -7.569 585 HA LEU 77 HA LEU 77 -7.555 -9.139 -9.296 586 HB2 LEU 77 1HB LEU 77 -6.538 -8.760 -6.497 587 HB3 LEU 77 2HB LEU 77 -7.292 -7.434 -7.359 588 HG LEU 77 HG LEU 77 -8.958 -8.443 -5.999 589 HD11 LEU 77 1HD1 LEU 77 -9.282 -8.081 -8.681 590 HD12 LEU 77 2HD1 LEU 77 -9.841 -9.759 -8.484 591 HD13 LEU 77 3HD1 LEU 77 -10.593 -8.453 -7.536 592 HD21 LEU 77 1HD2 LEU 77 -9.412 -10.711 -5.766 593 HD22 LEU 77 2HD2 LEU 77 -8.593 -11.139 -7.287 594 HD23 LEU 77 3HD2 LEU 77 -7.636 -10.659 -5.864 595 H ALA 78 H ALA 78 -4.388 -8.478 -7.629 596 HA ALA 78 HA ALA 78 -3.828 -6.314 -9.384 597 HB1 ALA 78 1HB ALA 78 -1.500 -7.400 -8.038 598 HB2 ALA 78 2HB ALA 78 -2.352 -5.864 -7.751 599 HB3 ALA 78 3HB ALA 78 -2.885 -7.345 -6.921 600 H ASP 79 H ASP 79 -4.458 -8.018 -11.253 601 HA ASP 79 HA ASP 79 -2.190 -8.301 -12.754 602 HB2 ASP 79 1HB ASP 79 -2.117 -10.287 -10.896 603 HB3 ASP 79 2HB ASP 79 -3.125 -11.080 -12.090 604 H THR 80 H THR 80 -5.295 -9.970 -11.861 605 HA THR 80 HA THR 80 -5.990 -10.450 -14.607 606 HB THR 80 HB THR 80 -7.915 -11.539 -13.613 607 HG1 THR 80 1HG THR 80 -7.082 -10.151 -11.170 608 HG21 THR 80 1HG2 THR 80 -5.288 -11.999 -12.496 609 HG22 THR 80 2HG2 THR 80 -6.475 -12.099 -11.173 610 HG23 THR 80 3HG2 THR 80 -6.646 -13.146 -12.602 611 H VAL 81 H VAL 81 -6.896 -8.087 -12.050 612 HA VAL 81 HA VAL 81 -8.449 -6.681 -14.105 613 HB VAL 81 HB VAL 81 -9.456 -5.518 -12.127 614 HG11 VAL 81 1HG1 VAL 81 -11.066 -6.982 -12.635 615 HG12 VAL 81 2HG1 VAL 81 -9.879 -8.236 -13.064 616 HG13 VAL 81 3HG1 VAL 81 -10.403 -8.047 -11.373 617 HG21 VAL 81 1HG2 VAL 81 -8.061 -7.709 -10.550 618 HG22 VAL 81 2HG2 VAL 81 -7.642 -5.979 -10.515 619 HG23 VAL 81 3HG2 VAL 81 -9.226 -6.523 -9.913 620 H GLY 82 H GLY 82 -5.885 -6.406 -11.599 621 HA2 GLY 82 1HA GLY 82 -5.404 -3.622 -12.151 622 HA3 GLY 82 2HA GLY 82 -4.478 -4.689 -11.114 623 H HIS 83 H HIS 83 -3.886 -6.805 -12.972 624 HA HIS 83 HA HIS 83 -2.436 -7.378 -14.515 625 HB2 HIS 83 1HB HIS 83 -2.886 -4.705 -15.860 626 HB3 HIS 83 2HB HIS 83 -2.313 -6.190 -16.595 627 HD1 HIS 83 1HD HIS 83 -4.106 -8.141 -16.921 628 HD2 HIS 83 2HD HIS 83 -5.658 -4.451 -15.669 629 HE1 HIS 83 1HE HIS 83 -6.625 -8.254 -17.316 630 H LEU 84 H LEU 84 -1.884 -5.323 -12.143 631 HA LEU 84 HA LEU 84 0.250 -3.737 -12.735 632 HB2 LEU 84 1HB LEU 84 -0.316 -5.359 -10.252 633 HB3 LEU 84 2HB LEU 84 0.915 -4.117 -10.353 634 HG LEU 84 HG LEU 84 -1.892 -3.390 -11.100 635 HD11 LEU 84 1HD1 LEU 84 -2.748 -4.005 -9.145 636 HD12 LEU 84 2HD1 LEU 84 -1.151 -4.478 -8.518 637 HD13 LEU 84 3HD1 LEU 84 -1.698 -2.790 -8.378 638 HD21 LEU 84 1HD2 LEU 84 -1.078 -1.327 -11.054 639 HD22 LEU 84 2HD2 LEU 84 -0.470 -1.545 -9.395 640 HD23 LEU 84 3HD2 LEU 84 0.539 -2.020 -10.782 641 H ARG 85 H ARG 85 2.614 -4.232 -11.819 642 HA ARG 85 HA ARG 85 3.404 -6.916 -12.389 643 HB2 ARG 85 1HB ARG 85 4.116 -4.573 -14.188 644 HB3 ARG 85 2HB ARG 85 5.238 -5.909 -14.022 645 HG2 ARG 85 1HG ARG 85 2.323 -6.141 -14.910 646 HG3 ARG 85 2HG ARG 85 3.718 -6.234 -15.966 647 HD2 ARG 85 1HD ARG 85 4.371 -8.144 -14.075 648 HD3 ARG 85 2HD ARG 85 2.624 -8.279 -14.091 649 HE ARG 85 HE ARG 85 4.445 -9.031 -16.245 650 HH11 ARG 85 2HH2 ARG 85 1.158 -8.009 -15.516 651 HH12 ARG 85 1HH2 ARG 85 0.485 -8.715 -16.948 652 HH21 ARG 85 2HH1 ARG 85 3.558 -9.963 -18.133 653 HH22 ARG 85 1HH1 ARG 85 1.859 -9.834 -18.446 654 HA PRO 86 HA PRO 86 6.528 -5.724 -9.590 655 HB2 PRO 86 1HB PRO 86 8.532 -7.504 -10.122 656 HB3 PRO 86 2HB PRO 86 7.120 -7.908 -9.166 657 HG2 PRO 86 1HG PRO 86 7.755 -8.674 -11.950 658 HG3 PRO 86 2HG PRO 86 6.594 -9.393 -10.851 659 HD2 PRO 86 1HD PRO 86 6.021 -7.632 -13.042 660 HD3 PRO 86 2HD PRO 86 4.875 -8.259 -11.873 661 H GLY 87 H GLY 87 7.209 -3.668 -9.834 662 HA2 GLY 87 1HA GLY 87 9.664 -2.956 -10.452 663 HA3 GLY 87 2HA GLY 87 9.023 -3.162 -12.070 664 H ASP 88 H ASP 88 6.217 -2.378 -11.073 665 HA ASP 88 HA ASP 88 6.476 0.333 -11.694 666 HB2 ASP 88 1HB ASP 88 4.396 -1.595 -11.445 667 HB3 ASP 88 2HB ASP 88 3.979 -0.323 -10.314 668 H GLU 89 H GLU 89 4.970 1.882 -10.044 669 HA GLU 89 HA GLU 89 5.864 1.340 -7.336 670 HB2 GLU 89 1HB GLU 89 7.530 2.873 -8.316 671 HB3 GLU 89 2HB GLU 89 6.263 3.971 -8.826 672 HG2 GLU 89 1HG GLU 89 5.577 4.138 -6.344 673 HG3 GLU 89 2HG GLU 89 7.057 3.280 -5.964 674 H VAL 90 H VAL 90 3.956 1.128 -6.238 675 HA VAL 90 HA VAL 90 1.603 2.466 -7.132 676 HB VAL 90 HB VAL 90 1.404 0.290 -6.218 677 HG11 VAL 90 1HG1 VAL 90 3.139 -0.248 -4.845 678 HG12 VAL 90 2HG1 VAL 90 3.182 1.359 -4.082 679 HG13 VAL 90 3HG1 VAL 90 1.953 0.172 -3.586 680 HG21 VAL 90 1HG2 VAL 90 -0.565 1.238 -5.589 681 HG22 VAL 90 2HG2 VAL 90 0.084 0.941 -3.959 682 HG23 VAL 90 3HG2 VAL 90 0.226 2.556 -4.693 683 H LEU 91 H LEU 91 1.606 4.678 -6.980 684 HA LEU 91 HA LEU 91 2.944 6.067 -4.942 685 HB2 LEU 91 1HB LEU 91 0.766 6.884 -6.865 686 HB3 LEU 91 2HB LEU 91 1.587 7.997 -5.789 687 HG LEU 91 HG LEU 91 2.790 6.425 -8.077 688 HD11 LEU 91 1HD1 LEU 91 3.438 8.836 -8.743 689 HD12 LEU 91 2HD1 LEU 91 1.757 8.302 -8.982 690 HD13 LEU 91 3HD1 LEU 91 2.175 9.331 -7.591 691 HD21 LEU 91 1HD2 LEU 91 4.524 6.305 -6.549 692 HD22 LEU 91 2HD2 LEU 91 4.887 7.812 -7.423 693 HD23 LEU 91 3HD2 LEU 91 4.130 7.877 -5.813 694 H GLU 92 H GLU 92 -0.625 5.617 -5.495 695 HA GLU 92 HA GLU 92 -0.888 5.888 -2.602 696 HB2 GLU 92 1HB GLU 92 -2.841 6.656 -4.814 697 HB3 GLU 92 2HB GLU 92 -3.242 6.682 -3.108 698 HG2 GLU 92 1HG GLU 92 -1.803 8.487 -2.647 699 HG3 GLU 92 2HG GLU 92 -0.756 8.142 -4.010 700 H TRP 93 H TRP 93 -2.858 4.682 -1.682 701 HA TRP 93 HA TRP 93 -3.558 2.338 -3.274 702 HB2 TRP 93 1HB TRP 93 -1.619 1.614 -2.040 703 HB3 TRP 93 2HB TRP 93 -2.277 2.236 -0.540 704 HD1 TRP 93 HD TRP 93 -4.836 0.940 0.095 705 HE1 TRP 93 1HE TRP 93 -5.428 -1.632 0.075 706 HE3 TRP 93 3HE TRP 93 -1.066 -0.439 -3.025 707 HZ2 TRP 93 2HZ TRP 93 -4.278 -3.903 -1.214 708 HZ3 TRP 93 3HZ TRP 93 -0.870 -2.854 -3.615 709 HH2 TRP 93 HH TRP 93 -2.399 -4.560 -2.763 710 H ASN 94 H ASN 94 -5.710 3.032 -3.455 711 HA ASN 94 HA ASN 94 -7.789 3.191 -2.833 712 HB2 ASN 94 1HB ASN 94 -6.702 1.680 -0.705 713 HB3 ASN 94 2HB ASN 94 -7.546 2.984 0.107 714 HD21 ASN 94 1HD2 ASN 94 -8.184 0.183 0.069 715 HD22 ASN 94 2HD2 ASN 94 -9.772 -0.003 -0.595 716 H GLY 95 H GLY 95 -5.698 5.400 -2.689 717 HA2 GLY 95 1HA GLY 95 -6.203 7.680 -2.470 718 HA3 GLY 95 2HA GLY 95 -7.308 7.323 -1.158 719 H ARG 96 H ARG 96 -4.870 5.293 -0.389 720 HA ARG 96 HA ARG 96 -3.777 7.216 1.433 721 HB2 ARG 96 1HB ARG 96 -3.791 4.205 1.193 722 HB3 ARG 96 2HB ARG 96 -2.500 4.934 2.127 723 HG2 ARG 96 1HG ARG 96 -5.314 5.881 2.654 724 HG3 ARG 96 2HG ARG 96 -4.871 4.289 3.236 725 HD2 ARG 96 1HD ARG 96 -2.856 5.324 4.385 726 HD3 ARG 96 2HD ARG 96 -3.427 6.904 3.886 727 HE ARG 96 HE ARG 96 -5.456 5.335 5.308 728 HH11 ARG 96 2HH2 ARG 96 -2.767 7.577 5.663 729 HH12 ARG 96 1HH2 ARG 96 -3.283 8.149 7.215 730 HH21 ARG 96 2HH1 ARG 96 -6.137 6.089 7.355 731 HH22 ARG 96 1HH1 ARG 96 -5.212 7.297 8.183 732 H LEU 97 H LEU 97 -1.877 8.294 1.003 733 HA LEU 97 HA LEU 97 -0.323 7.549 -1.268 734 HB2 LEU 97 1HB LEU 97 -0.728 9.866 -0.712 735 HB3 LEU 97 2HB LEU 97 0.031 9.667 0.855 736 HG LEU 97 HG LEU 97 1.953 8.849 -1.057 737 HD11 LEU 97 1HD1 LEU 97 0.680 9.967 -2.797 738 HD12 LEU 97 2HD1 LEU 97 0.628 11.462 -1.832 739 HD13 LEU 97 3HD1 LEU 97 2.182 10.860 -2.458 740 HD21 LEU 97 1HD2 LEU 97 2.285 9.926 1.179 741 HD22 LEU 97 2HD2 LEU 97 3.274 10.612 -0.133 742 HD23 LEU 97 3HD2 LEU 97 1.827 11.478 0.437 743 H LEU 98 H LEU 98 1.567 6.400 -1.375 744 HA LEU 98 HA LEU 98 2.436 5.216 1.151 745 HB2 LEU 98 1HB LEU 98 3.200 4.359 -1.633 746 HB3 LEU 98 2HB LEU 98 3.365 3.460 -0.138 747 HG LEU 98 HG LEU 98 0.823 4.094 -1.647 748 HD11 LEU 98 1HD1 LEU 98 0.694 1.486 -1.335 749 HD12 LEU 98 2HD1 LEU 98 1.677 2.206 -2.632 750 HD13 LEU 98 3HD1 LEU 98 2.457 1.637 -1.137 751 HD21 LEU 98 1HD2 LEU 98 -0.278 4.148 0.284 752 HD22 LEU 98 2HD2 LEU 98 0.133 2.427 0.475 753 HD23 LEU 98 3HD2 LEU 98 1.168 3.676 1.208 754 H GLN 99 H GLN 99 3.290 7.546 -1.308 755 HA GLN 99 HA GLN 99 6.027 7.415 -1.174 756 HB2 GLN 99 1HB GLN 99 4.000 9.488 -1.905 757 HB3 GLN 99 2HB GLN 99 5.611 10.086 -1.563 758 HG2 GLN 99 1HG GLN 99 6.528 8.355 -3.189 759 HG3 GLN 99 2HG GLN 99 4.879 7.932 -3.601 760 HE21 GLN 99 1HE2 GLN 99 7.097 9.120 -5.161 761 HE22 GLN 99 2HE2 GLN 99 6.482 10.576 -5.869 762 H GLY 100 H GLY 100 7.356 7.568 0.576 763 HA2 GLY 100 1HA GLY 100 8.330 8.797 2.296 764 HA3 GLY 100 2HA GLY 100 6.838 9.686 2.532 765 H ALA 101 H ALA 101 5.198 7.108 2.375 766 HA ALA 101 HA ALA 101 5.066 6.609 5.112 767 HB1 ALA 101 1HB ALA 101 3.566 4.744 4.405 768 HB2 ALA 101 2HB ALA 101 3.188 6.277 3.584 769 HB3 ALA 101 3HB ALA 101 4.080 5.002 2.721 770 H THR 102 H THR 102 5.798 4.878 6.414 771 HA THR 102 HA THR 102 8.272 3.718 5.501 772 HB THR 102 HB THR 102 8.574 3.234 7.814 773 HG1 THR 102 1HG THR 102 5.657 3.511 7.979 774 HG21 THR 102 1HG2 THR 102 7.860 5.782 7.276 775 HG22 THR 102 2HG2 THR 102 6.446 5.331 8.259 776 HG23 THR 102 3HG2 THR 102 8.082 5.224 8.952 777 H PHE 103 H PHE 103 8.650 1.297 6.139 778 HA PHE 103 HA PHE 103 7.237 -0.226 4.348 779 HB2 PHE 103 1HB PHE 103 9.453 -0.783 5.369 780 HB3 PHE 103 2HB PHE 103 8.721 -0.903 6.956 781 HD1 PHE 103 1HD PHE 103 7.388 -2.851 7.569 782 HD2 PHE 103 2HD PHE 103 9.206 -2.571 3.745 783 HE1 PHE 103 1HE PHE 103 7.012 -5.306 7.210 784 HE2 PHE 103 2HE PHE 103 8.830 -5.026 3.386 785 HZ PHE 103 HZ PHE 103 7.737 -6.365 5.123 786 H GLU 104 H GLU 104 6.717 0.215 7.896 787 HA GLU 104 HA GLU 104 4.719 -1.732 8.050 788 HB2 GLU 104 1HB GLU 104 5.517 0.612 9.808 789 HB3 GLU 104 2HB GLU 104 4.144 -0.396 10.219 790 HG2 GLU 104 1HG GLU 104 6.530 -1.981 9.489 791 HG3 GLU 104 2HG GLU 104 6.823 -0.924 10.855 792 H GLU 105 H GLU 105 4.617 1.886 7.773 793 HA GLU 105 HA GLU 105 1.949 2.243 7.909 794 HB2 GLU 105 1HB GLU 105 4.203 3.657 6.539 795 HB3 GLU 105 2HB GLU 105 2.589 4.105 6.023 796 HG2 GLU 105 1HG GLU 105 3.668 4.175 8.878 797 HG3 GLU 105 2HG GLU 105 3.282 5.559 7.876 798 H VAL 106 H VAL 106 3.837 1.778 4.826 799 HA VAL 106 HA VAL 106 1.767 1.698 3.078 800 HB VAL 106 HB VAL 106 4.309 0.063 3.142 801 HG11 VAL 106 1HG1 VAL 106 2.932 0.725 0.572 802 HG12 VAL 106 2HG1 VAL 106 3.969 -0.659 0.995 803 HG13 VAL 106 3HG1 VAL 106 2.278 -0.611 1.550 804 HG21 VAL 106 1HG2 VAL 106 4.958 1.875 1.415 805 HG22 VAL 106 2HG2 VAL 106 3.586 2.795 2.079 806 HG23 VAL 106 3HG2 VAL 106 4.936 2.321 3.138 807 H TYR 107 H TYR 107 3.097 -1.082 4.994 808 HA TYR 107 HA TYR 107 1.343 -2.997 4.018 809 HB2 TYR 107 1HB TYR 107 3.478 -3.142 5.509 810 HB3 TYR 107 2HB TYR 107 2.483 -2.626 6.856 811 HD1 TYR 107 2HD TYR 107 0.199 -4.113 7.076 812 HD2 TYR 107 1HD TYR 107 3.888 -5.413 5.344 813 HE1 TYR 107 2HE TYR 107 -0.435 -6.533 7.526 814 HE2 TYR 107 1HE TYR 107 3.242 -7.830 5.799 815 HH TYR 107 HH TYR 107 1.307 -8.819 7.850 816 H ASN 108 H ASN 108 1.137 -1.193 7.175 817 HA ASN 108 HA ASN 108 -1.142 -2.106 8.112 818 HB2 ASN 108 1HB ASN 108 0.062 0.660 8.056 819 HB3 ASN 108 2HB ASN 108 -1.575 0.527 8.666 820 HD21 ASN 108 1HD2 ASN 108 1.731 -0.633 9.014 821 HD22 ASN 108 2HD2 ASN 108 1.643 -1.103 10.679 822 H ILE 109 H ILE 109 -0.804 0.540 5.636 823 HA ILE 109 HA ILE 109 -3.422 1.196 5.284 824 HB ILE 109 HB ILE 109 -1.175 1.015 3.279 825 HG12 ILE 109 1HG1 ILE 109 -2.270 3.434 4.734 826 HG13 ILE 109 2HG1 ILE 109 -0.915 2.492 5.323 827 HG21 ILE 109 1HG2 ILE 109 -2.455 1.852 1.643 828 HG22 ILE 109 2HG2 ILE 109 -3.814 1.203 2.592 829 HG23 ILE 109 3HG2 ILE 109 -3.357 2.915 2.750 830 HD11 ILE 109 1HD1 ILE 109 -0.564 3.124 2.487 831 HD12 ILE 109 2HD1 ILE 109 -0.813 4.600 3.452 832 HD13 ILE 109 3HD1 ILE 109 0.509 3.481 3.862 833 H ILE 110 H ILE 110 -1.638 -1.214 3.223 834 HA ILE 110 HA ILE 110 -3.789 -2.190 1.880 835 HB ILE 110 HB ILE 110 -1.206 -3.420 2.781 836 HG12 ILE 110 1HG1 ILE 110 -1.741 -3.280 -0.069 837 HG13 ILE 110 2HG1 ILE 110 -1.964 -1.712 0.682 838 HG21 ILE 110 1HG2 ILE 110 -3.254 -4.794 1.020 839 HG22 ILE 110 2HG2 ILE 110 -1.635 -5.393 1.454 840 HG23 ILE 110 3HG2 ILE 110 -2.889 -5.233 2.706 841 HD11 ILE 110 1HD1 ILE 110 0.359 -1.825 0.105 842 HD12 ILE 110 2HD1 ILE 110 0.297 -2.099 1.863 843 HD13 ILE 110 3HD1 ILE 110 0.516 -3.475 0.755 844 H LEU 111 H LEU 111 -2.679 -2.992 5.202 845 HA LEU 111 HA LEU 111 -4.514 -5.110 5.548 846 HB2 LEU 111 1HB LEU 111 -2.686 -5.193 6.940 847 HB3 LEU 111 2HB LEU 111 -2.728 -3.477 7.296 848 HG LEU 111 HG LEU 111 -4.909 -3.965 8.576 849 HD11 LEU 111 1HD1 LEU 111 -4.050 -6.705 7.833 850 HD12 LEU 111 2HD1 LEU 111 -4.597 -6.469 9.511 851 HD13 LEU 111 3HD1 LEU 111 -5.673 -6.049 8.156 852 HD21 LEU 111 1HD2 LEU 111 -2.911 -5.339 10.166 853 HD22 LEU 111 2HD2 LEU 111 -2.218 -3.933 9.324 854 HD23 LEU 111 3HD2 LEU 111 -3.635 -3.727 10.381 855 H GLU 112 H GLU 112 -4.637 -1.566 5.973 856 HA GLU 112 HA GLU 112 -7.074 -1.656 7.398 857 HB2 GLU 112 1HB GLU 112 -5.393 0.502 6.119 858 HB3 GLU 112 2HB GLU 112 -7.031 0.887 6.609 859 HG2 GLU 112 1HG GLU 112 -5.806 -0.598 8.757 860 HG3 GLU 112 2HG GLU 112 -4.676 0.647 8.263 861 H SER 113 H SER 113 -6.324 -2.422 4.223 862 HA SER 113 HA SER 113 -8.914 -1.454 3.297 863 HB2 SER 113 1HB SER 113 -6.582 -2.360 1.560 864 HB3 SER 113 2HB SER 113 -8.036 -1.540 1.029 865 HG SER 113 HG SER 113 -7.212 0.190 2.699 866 H LYS 114 H LYS 114 -7.856 -4.009 4.847 867 HA LYS 114 HA LYS 114 -8.220 -6.173 3.083 868 HB2 LYS 114 1HB LYS 114 -7.793 -5.741 5.963 869 HB3 LYS 114 2HB LYS 114 -8.764 -7.153 5.601 870 HG2 LYS 114 1HG LYS 114 -6.992 -7.858 3.913 871 HG3 LYS 114 2HG LYS 114 -6.004 -6.518 4.460 872 HD2 LYS 114 1HD LYS 114 -5.240 -8.416 5.706 873 HD3 LYS 114 2HD LYS 114 -6.198 -7.478 6.835 874 HE2 LYS 114 1HE LYS 114 -8.185 -8.958 6.321 875 HE3 LYS 114 2HE LYS 114 -7.161 -9.928 5.281 876 HZ1 LYS 114 1HZ LYS 114 -6.943 -11.023 7.226 877 HZ2 LYS 114 2HZ LYS 114 -5.701 -9.980 7.420 878 HZ3 LYS 114 3HZ LYS 114 -7.127 -9.700 8.166 879 HA PRO 115 HA PRO 115 -12.646 -6.087 4.737 880 HB2 PRO 115 1HB PRO 115 -13.522 -3.965 6.219 881 HB3 PRO 115 2HB PRO 115 -12.938 -5.455 6.931 882 HG2 PRO 115 1HG PRO 115 -11.587 -2.832 6.752 883 HG3 PRO 115 2HG PRO 115 -11.222 -4.185 7.805 884 HD2 PRO 115 1HD PRO 115 -9.788 -3.413 5.443 885 HD3 PRO 115 2HD PRO 115 -9.496 -4.831 6.431 886 H GLU 116 H GLU 116 -11.257 -3.075 3.752 887 HA GLU 116 HA GLU 116 -13.322 -1.747 2.753 888 HB2 GLU 116 1HB GLU 116 -10.478 -2.022 2.071 889 HB3 GLU 116 2HB GLU 116 -11.435 -1.580 0.671 890 HG2 GLU 116 1HG GLU 116 -12.101 -0.099 3.180 891 HG3 GLU 116 2HG GLU 116 -10.505 0.219 2.529 892 HA PRO 117 HA PRO 117 -15.160 -4.204 -0.321 893 HB2 PRO 117 1HB PRO 117 -16.580 -2.317 -1.697 894 HB3 PRO 117 2HB PRO 117 -17.130 -3.020 -0.189 895 HG2 PRO 117 1HG PRO 117 -15.991 -0.336 -0.677 896 HG3 PRO 117 2HG PRO 117 -16.923 -0.900 0.696 897 HD2 PRO 117 1HD PRO 117 -14.086 -0.488 0.601 898 HD3 PRO 117 2HD PRO 117 -15.003 -1.161 1.934 899 H GLN 118 H GLN 118 -13.206 -1.508 -1.231 900 HA GLN 118 HA GLN 118 -12.330 -3.086 -3.475 901 HB2 GLN 118 1HB GLN 118 -12.740 -1.466 -5.152 902 HB3 GLN 118 2HB GLN 118 -14.225 -1.493 -4.222 903 HG2 GLN 118 1HG GLN 118 -12.799 0.411 -2.831 904 HG3 GLN 118 2HG GLN 118 -12.166 0.657 -4.447 905 HE21 GLN 118 1HE2 GLN 118 -13.890 0.618 -6.213 906 HE22 GLN 118 2HE2 GLN 118 -15.327 1.542 -5.925 907 H VAL 119 H VAL 119 -10.440 -1.636 -4.639 908 HA VAL 119 HA VAL 119 -9.027 -0.046 -2.680 909 HB VAL 119 HB VAL 119 -7.864 -1.775 -1.914 910 HG11 VAL 119 1HG1 VAL 119 -9.201 -3.229 -4.144 911 HG12 VAL 119 2HG1 VAL 119 -7.731 -3.967 -3.465 912 HG13 VAL 119 3HG1 VAL 119 -9.118 -3.611 -2.407 913 HG21 VAL 119 1HG2 VAL 119 -6.378 -0.654 -3.754 914 HG22 VAL 119 2HG2 VAL 119 -5.843 -2.167 -2.984 915 HG23 VAL 119 3HG2 VAL 119 -6.584 -2.206 -4.602 916 H GLU 120 H GLU 120 -8.588 1.753 -3.843 917 HA GLU 120 HA GLU 120 -8.087 1.389 -6.674 918 HB2 GLU 120 1HB GLU 120 -9.825 3.036 -5.932 919 HB3 GLU 120 2HB GLU 120 -8.589 3.944 -5.084 920 HG2 GLU 120 1HG GLU 120 -7.350 3.982 -7.415 921 HG3 GLU 120 2HG GLU 120 -8.914 3.549 -8.076 922 H LEU 121 H LEU 121 -5.945 0.914 -7.052 923 HA LEU 121 HA LEU 121 -3.944 2.284 -5.443 924 HB2 LEU 121 1HB LEU 121 -3.574 0.114 -7.508 925 HB3 LEU 121 2HB LEU 121 -2.393 0.688 -6.348 926 HG LEU 121 HG LEU 121 -4.862 -0.971 -5.845 927 HD11 LEU 121 1HD1 LEU 121 -2.842 -2.174 -6.490 928 HD12 LEU 121 2HD1 LEU 121 -1.934 -1.385 -5.178 929 HD13 LEU 121 3HD1 LEU 121 -3.264 -2.504 -4.792 930 HD21 LEU 121 1HD2 LEU 121 -4.447 -0.774 -3.434 931 HD22 LEU 121 2HD2 LEU 121 -3.186 0.442 -3.751 932 HD23 LEU 121 3HD2 LEU 121 -4.882 0.791 -4.163 933 H VAL 122 H VAL 122 -1.954 3.117 -6.668 934 HA VAL 122 HA VAL 122 -2.629 4.122 -9.312 935 HB VAL 122 HB VAL 122 -1.681 5.985 -7.141 936 HG11 VAL 122 1HG1 VAL 122 -1.187 6.726 -9.392 937 HG12 VAL 122 2HG1 VAL 122 -2.865 6.423 -9.903 938 HG13 VAL 122 3HG1 VAL 122 -2.511 7.716 -8.732 939 HG21 VAL 122 1HG2 VAL 122 -3.924 6.787 -6.831 940 HG22 VAL 122 2HG2 VAL 122 -4.545 5.711 -8.106 941 HG23 VAL 122 3HG2 VAL 122 -3.935 5.025 -6.581 942 H VAL 123 H VAL 123 -0.896 3.921 -10.645 943 HA VAL 123 HA VAL 123 1.720 3.643 -9.333 944 HB VAL 123 HB VAL 123 2.057 2.322 -11.645 945 HG11 VAL 123 1HG1 VAL 123 2.626 1.475 -9.430 946 HG12 VAL 123 2HG1 VAL 123 0.908 1.163 -9.083 947 HG13 VAL 123 3HG1 VAL 123 1.743 0.237 -10.354 948 HG21 VAL 123 1HG2 VAL 123 -0.228 2.577 -12.422 949 HG22 VAL 123 2HG2 VAL 123 0.078 0.867 -12.031 950 HG23 VAL 123 3HG2 VAL 123 -0.856 1.884 -10.907 951 H SER 124 H SER 124 3.516 4.650 -10.358 952 HA SER 124 HA SER 124 2.732 6.460 -12.505 953 HB2 SER 124 1HB SER 124 2.969 7.783 -10.478 954 HB3 SER 124 2HB SER 124 4.497 7.019 -10.087 955 HG SER 124 HG SER 124 3.978 9.165 -11.765 956 H ARG 125 H ARG 125 4.016 6.315 -14.327 957 HA ARG 125 HA ARG 125 6.674 5.229 -13.949 958 HB2 ARG 125 1HB ARG 125 6.264 3.900 -16.149 959 HB3 ARG 125 2HB ARG 125 5.536 3.266 -14.687 960 HG2 ARG 125 1HG ARG 125 3.365 4.262 -15.263 961 HG3 ARG 125 2HG ARG 125 4.064 5.099 -16.635 962 HD2 ARG 125 1HD ARG 125 2.864 3.043 -17.358 963 HD3 ARG 125 2HD ARG 125 4.571 2.944 -17.745 964 HE ARG 125 HE ARG 125 4.369 1.798 -15.204 965 HH11 ARG 125 2HH2 ARG 125 2.920 1.187 -18.351 966 HH12 ARG 125 1HH2 ARG 125 2.722 -0.511 -18.073 967 HH21 ARG 125 2HH1 ARG 125 4.108 -0.442 -14.836 968 HH22 ARG 125 1HH1 ARG 125 3.403 -1.444 -16.060 969 H SER 126 H SER 126 8.069 5.607 -15.987 970 HA SER 126 HA SER 126 7.415 8.232 -16.970 971 HB2 SER 126 1HB SER 126 9.692 8.494 -17.391 972 HB3 SER 126 2HB SER 126 9.732 7.368 -16.049 973 HG SER 126 HG SER 126 10.917 7.000 -18.341 974 H GLY 127 H GLY 127 6.511 8.564 -18.971 975 HA2 GLY 127 1HA GLY 127 5.814 8.189 -21.073 976 HA3 GLY 127 2HA GLY 127 7.256 7.221 -21.302 977 HA PRO 128 HA PRO 128 3.395 4.589 -20.958 978 HB2 PRO 128 1HB PRO 128 2.379 4.559 -23.494 979 HB3 PRO 128 2HB PRO 128 1.739 5.573 -22.218 980 HG2 PRO 128 1HG PRO 128 3.423 6.338 -24.524 981 HG3 PRO 128 2HG PRO 128 2.436 7.361 -23.498 982 HD2 PRO 128 1HD PRO 128 5.289 7.083 -23.408 983 HD3 PRO 128 2HD PRO 128 4.292 8.015 -22.309 984 H SER 129 H SER 129 3.116 2.368 -21.609 985 HA SER 129 HA SER 129 5.626 1.319 -22.276 986 HB2 SER 129 1HB SER 129 2.885 -0.018 -22.181 987 HB3 SER 129 2HB SER 129 4.409 -0.878 -22.277 988 HG SER 129 HG SER 129 4.195 -0.838 -20.123 989 H SER 130 H SER 130 5.722 -0.498 -24.116 990 HA SER 130 HA SER 130 4.266 0.442 -26.442 991 HB2 SER 130 1HB SER 130 6.577 1.501 -26.356 992 HB3 SER 130 2HB SER 130 7.265 -0.107 -26.464 993 HG SER 130 HG SER 130 6.661 -0.292 -28.557 994 H GLY 131 H GLY 131 4.288 -1.207 -28.247 995 HA2 GLY 131 1HA GLY 131 4.833 -3.408 -28.972 996 HA3 GLY 131 2HA GLY 131 4.955 -3.921 -27.301 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -33.244 13.344 -33.231 2 HA2 GLY 1 1HA GLY 1 -34.926 11.228 -32.334 3 HA3 GLY 1 2HA GLY 1 -33.602 10.609 -33.302 4 H SER 2 H SER 2 -33.120 9.580 -31.077 5 HA SER 2 HA SER 2 -31.823 11.485 -29.320 6 HB2 SER 2 1HB SER 2 -31.740 9.568 -27.712 7 HB3 SER 2 2HB SER 2 -33.370 9.957 -28.224 8 HG SER 2 HG SER 2 -32.011 7.598 -28.485 9 H SER 3 H SER 3 -29.600 11.052 -28.543 10 HA SER 3 HA SER 3 -28.143 9.200 -30.239 11 HB2 SER 3 1HB SER 3 -27.794 12.161 -30.053 12 HB3 SER 3 2HB SER 3 -26.314 11.224 -30.009 13 HG SER 3 HG SER 3 -27.813 11.859 -32.163 14 H GLY 4 H GLY 4 -27.757 11.618 -27.539 15 HA2 GLY 4 1HA GLY 4 -26.827 11.437 -25.502 16 HA3 GLY 4 2HA GLY 4 -27.173 9.720 -25.567 17 H SER 5 H SER 5 -24.797 10.982 -24.401 18 HA SER 5 HA SER 5 -22.786 10.028 -26.285 19 HB2 SER 5 1HB SER 5 -22.680 12.462 -25.537 20 HB3 SER 5 2HB SER 5 -22.368 11.893 -23.909 21 HG SER 5 HG SER 5 -20.439 10.834 -24.685 22 H SER 6 H SER 6 -23.343 10.394 -22.698 23 HA SER 6 HA SER 6 -21.524 8.574 -21.875 24 HB2 SER 6 1HB SER 6 -24.273 8.970 -20.619 25 HB3 SER 6 2HB SER 6 -22.823 8.425 -19.801 26 HG SER 6 HG SER 6 -23.429 10.781 -19.592 27 H GLY 7 H GLY 7 -25.073 7.960 -22.438 28 HA2 GLY 7 1HA GLY 7 -26.166 6.111 -23.106 29 HA3 GLY 7 2HA GLY 7 -24.652 5.487 -23.731 30 H HIS 8 H HIS 8 -26.754 5.721 -20.843 31 HA HIS 8 HA HIS 8 -25.070 4.097 -19.239 32 HB2 HIS 8 1HB HIS 8 -27.763 5.347 -19.015 33 HB3 HIS 8 2HB HIS 8 -27.463 3.947 -18.005 34 HD1 HIS 8 1HD HIS 8 -27.764 7.029 -17.063 35 HD2 HIS 8 2HD HIS 8 -24.213 4.818 -17.378 36 HE1 HIS 8 1HE HIS 8 -26.085 8.146 -15.500 37 H SER 9 H SER 9 -24.848 1.914 -19.263 38 HA SER 9 HA SER 9 -26.902 0.459 -20.734 39 HB2 SER 9 1HB SER 9 -24.861 -1.299 -20.747 40 HB3 SER 9 2HB SER 9 -25.032 -0.056 -21.970 41 HG SER 9 HG SER 9 -22.994 -0.414 -20.225 42 H HIS 10 H HIS 10 -24.328 -0.224 -18.241 43 HA HIS 10 HA HIS 10 -26.373 -1.191 -16.452 44 HB2 HIS 10 1HB HIS 10 -24.980 -2.992 -18.138 45 HB3 HIS 10 2HB HIS 10 -24.288 -3.183 -16.539 46 HD1 HIS 10 1HD HIS 10 -27.958 -2.453 -17.335 47 HD2 HIS 10 2HD HIS 10 -25.552 -5.487 -15.721 48 HE1 HIS 10 1HE HIS 10 -29.554 -4.237 -16.449 49 H SER 11 H SER 11 -22.783 -1.638 -16.785 50 HA SER 11 HA SER 11 -22.153 0.446 -15.075 51 HB2 SER 11 1HB SER 11 -21.492 -0.796 -13.036 52 HB3 SER 11 2HB SER 11 -23.218 -0.906 -13.318 53 HG SER 11 HG SER 11 -22.425 -3.002 -14.581 54 H ASP 12 H ASP 12 -20.743 0.493 -17.037 55 HA ASP 12 HA ASP 12 -18.599 -1.470 -16.826 56 HB2 ASP 12 1HB ASP 12 -19.455 0.247 -19.205 57 HB3 ASP 12 2HB ASP 12 -18.103 -0.868 -19.217 58 H LYS 13 H LYS 13 -17.850 0.105 -15.022 59 HA LYS 13 HA LYS 13 -16.687 2.547 -16.150 60 HB2 LYS 13 1HB LYS 13 -16.538 3.303 -13.805 61 HB3 LYS 13 2HB LYS 13 -18.182 2.963 -14.304 62 HG2 LYS 13 1HG LYS 13 -18.413 1.422 -12.658 63 HG3 LYS 13 2HG LYS 13 -17.036 0.520 -13.259 64 HD2 LYS 13 1HD LYS 13 -15.622 1.373 -11.672 65 HD3 LYS 13 2HD LYS 13 -16.254 2.999 -11.841 66 HE2 LYS 13 1HE LYS 13 -18.048 0.959 -10.540 67 HE3 LYS 13 2HE LYS 13 -16.665 1.511 -9.616 68 HZ1 LYS 13 1HZ LYS 13 -18.582 2.892 -9.251 69 HZ2 LYS 13 2HZ LYS 13 -17.403 3.768 -9.964 70 HZ3 LYS 13 3HZ LYS 13 -18.685 3.261 -10.838 71 H HIS 14 H HIS 14 -14.732 2.004 -17.033 72 HA HIS 14 HA HIS 14 -13.127 -0.055 -16.359 73 HB2 HIS 14 1HB HIS 14 -11.290 1.221 -17.362 74 HB3 HIS 14 2HB HIS 14 -12.762 1.326 -18.307 75 HD1 HIS 14 1HD HIS 14 -10.829 3.486 -18.910 76 HD2 HIS 14 2HD HIS 14 -13.547 3.813 -15.731 77 HE1 HIS 14 1HE HIS 14 -11.060 5.979 -18.421 78 HA PRO 15 HA PRO 15 -11.969 1.067 -12.282 79 HB2 PRO 15 1HB PRO 15 -10.840 -1.325 -11.593 80 HB3 PRO 15 2HB PRO 15 -12.553 -0.991 -11.430 81 HG2 PRO 15 1HG PRO 15 -11.170 -2.643 -13.455 82 HG3 PRO 15 2HG PRO 15 -12.866 -2.636 -13.017 83 HD2 PRO 15 1HD PRO 15 -11.691 -1.449 -15.349 84 HD3 PRO 15 2HD PRO 15 -13.368 -1.343 -14.851 85 H VAL 16 H VAL 16 -9.947 -0.040 -14.819 86 HA VAL 16 HA VAL 16 -7.668 1.143 -13.389 87 HB VAL 16 HB VAL 16 -6.266 -0.385 -14.375 88 HG11 VAL 16 1HG1 VAL 16 -8.835 -1.992 -14.206 89 HG12 VAL 16 2HG1 VAL 16 -7.170 -2.584 -13.989 90 HG13 VAL 16 3HG1 VAL 16 -7.881 -1.470 -12.797 91 HG21 VAL 16 1HG2 VAL 16 -6.789 -1.729 -16.374 92 HG22 VAL 16 2HG2 VAL 16 -8.391 -0.960 -16.468 93 HG23 VAL 16 3HG2 VAL 16 -6.921 0.016 -16.699 94 H THR 17 H THR 17 -6.414 2.715 -14.448 95 HA THR 17 HA THR 17 -7.054 3.392 -17.185 96 HB THR 17 HB THR 17 -7.378 5.878 -16.078 97 HG1 THR 17 1HG THR 17 -8.645 3.874 -14.351 98 HG21 THR 17 1HG2 THR 17 -9.766 5.633 -16.398 99 HG22 THR 17 2HG2 THR 17 -9.008 4.578 -17.615 100 HG23 THR 17 3HG2 THR 17 -9.686 3.875 -16.127 101 H TRP 18 H TRP 18 -5.193 3.778 -18.192 102 HA TRP 18 HA TRP 18 -2.971 4.726 -16.516 103 HB2 TRP 18 1HB TRP 18 -2.989 3.005 -18.998 104 HB3 TRP 18 2HB TRP 18 -1.539 3.722 -18.325 105 HD1 TRP 18 HD TRP 18 -4.155 1.001 -17.506 106 HE1 TRP 18 1HE TRP 18 -3.250 -0.669 -15.674 107 HE3 TRP 18 3HE TRP 18 0.073 3.621 -16.454 108 HZ2 TRP 18 2HZ TRP 18 -0.920 -0.705 -14.027 109 HZ3 TRP 18 3HZ TRP 18 1.610 2.699 -14.721 110 HH2 TRP 18 HH TRP 18 1.170 0.614 -13.524 111 H GLN 19 H GLN 19 -2.760 6.915 -16.771 112 HA GLN 19 HA GLN 19 -2.845 7.881 -19.510 113 HB2 GLN 19 1HB GLN 19 -3.957 9.626 -17.315 114 HB3 GLN 19 2HB GLN 19 -4.289 9.669 -19.035 115 HG2 GLN 19 1HG GLN 19 -6.250 8.662 -18.305 116 HG3 GLN 19 2HG GLN 19 -5.286 7.225 -18.583 117 HE21 GLN 19 1HE2 GLN 19 -6.989 9.114 -16.341 118 HE22 GLN 19 2HE2 GLN 19 -6.626 8.243 -14.888 119 HA PRO 20 HA PRO 20 0.792 9.907 -18.286 120 HB2 PRO 20 1HB PRO 20 0.964 11.910 -20.138 121 HB3 PRO 20 2HB PRO 20 1.430 10.254 -20.472 122 HG2 PRO 20 1HG PRO 20 -0.990 11.710 -21.344 123 HG3 PRO 20 2HG PRO 20 -0.301 10.236 -21.995 124 HD2 PRO 20 1HD PRO 20 -2.599 10.450 -20.291 125 HD3 PRO 20 2HD PRO 20 -1.841 8.971 -20.847 126 H SER 21 H SER 21 1.844 11.894 -17.463 127 HA SER 21 HA SER 21 0.099 13.037 -15.629 128 HB2 SER 21 1HB SER 21 1.981 14.233 -14.844 129 HB3 SER 21 2HB SER 21 2.674 12.778 -15.531 130 HG SER 21 HG SER 21 2.705 14.313 -17.598 131 H LYS 22 H LYS 22 0.479 15.765 -15.519 132 HA LYS 22 HA LYS 22 -1.373 16.747 -17.302 133 HB2 LYS 22 1HB LYS 22 -0.097 17.662 -15.057 134 HB3 LYS 22 2HB LYS 22 0.600 18.697 -16.287 135 HG2 LYS 22 1HG LYS 22 -1.294 19.939 -16.247 136 HG3 LYS 22 2HG LYS 22 -2.158 18.577 -16.931 137 HD2 LYS 22 1HD LYS 22 -3.364 18.492 -15.010 138 HD3 LYS 22 2HD LYS 22 -1.921 17.897 -14.213 139 HE2 LYS 22 1HE LYS 22 -1.340 20.553 -14.174 140 HE3 LYS 22 2HE LYS 22 -3.088 20.668 -14.213 141 HZ1 LYS 22 1HZ LYS 22 -2.911 18.902 -12.362 142 HZ2 LYS 22 2HZ LYS 22 -1.393 19.475 -12.178 143 HZ3 LYS 22 3HZ LYS 22 -2.671 20.477 -12.002 144 H ASP 23 H ASP 23 2.245 17.028 -17.408 145 HA ASP 23 HA ASP 23 2.153 18.306 -19.914 146 HB2 ASP 23 1HB ASP 23 4.329 17.020 -18.231 147 HB3 ASP 23 2HB ASP 23 4.690 17.574 -19.853 148 H GLY 24 H GLY 24 4.028 15.303 -19.120 149 HA2 GLY 24 1HA GLY 24 2.787 13.308 -20.365 150 HA3 GLY 24 2HA GLY 24 3.397 14.205 -21.741 151 H ASP 25 H ASP 25 4.831 13.665 -18.449 152 HA ASP 25 HA ASP 25 7.123 12.530 -19.847 153 HB2 ASP 25 1HB ASP 25 6.826 14.375 -17.507 154 HB3 ASP 25 2HB ASP 25 8.086 13.167 -17.356 155 H ARG 26 H ARG 26 4.958 12.422 -16.954 156 HA ARG 26 HA ARG 26 6.002 9.770 -16.389 157 HB2 ARG 26 1HB ARG 26 4.550 11.832 -14.676 158 HB3 ARG 26 2HB ARG 26 4.674 10.161 -14.162 159 HG2 ARG 26 1HG ARG 26 7.190 11.584 -15.044 160 HG3 ARG 26 2HG ARG 26 6.528 11.962 -13.466 161 HD2 ARG 26 1HD ARG 26 7.028 9.875 -12.595 162 HD3 ARG 26 2HD ARG 26 6.701 9.044 -14.102 163 HE ARG 26 HE ARG 26 8.990 10.528 -14.652 164 HH11 ARG 26 2HH2 ARG 26 8.111 8.147 -12.215 165 HH12 ARG 26 1HH2 ARG 26 9.728 7.556 -12.025 166 HH21 ARG 26 2HH1 ARG 26 11.123 9.749 -14.402 167 HH22 ARG 26 1HH1 ARG 26 11.453 8.474 -13.278 168 H LEU 27 H LEU 27 4.540 7.974 -16.209 169 HA LEU 27 HA LEU 27 1.913 8.514 -17.383 170 HB2 LEU 27 1HB LEU 27 3.808 6.834 -18.248 171 HB3 LEU 27 2HB LEU 27 2.993 5.758 -17.130 172 HG LEU 27 HG LEU 27 1.604 5.266 -18.794 173 HD11 LEU 27 1HD1 LEU 27 -0.342 6.488 -18.938 174 HD12 LEU 27 2HD1 LEU 27 0.351 7.107 -17.419 175 HD13 LEU 27 3HD1 LEU 27 0.505 8.054 -18.918 176 HD21 LEU 27 1HD2 LEU 27 1.505 7.084 -20.810 177 HD22 LEU 27 2HD2 LEU 27 3.117 7.418 -20.133 178 HD23 LEU 27 3HD2 LEU 27 2.706 5.776 -20.685 179 H ILE 28 H ILE 28 0.387 8.859 -15.850 180 HA ILE 28 HA ILE 28 0.659 7.546 -13.291 181 HB ILE 28 HB ILE 28 -1.545 9.370 -14.239 182 HG12 ILE 28 1HG1 ILE 28 0.374 10.650 -14.676 183 HG13 ILE 28 2HG1 ILE 28 -0.171 11.179 -13.097 184 HG21 ILE 28 1HG2 ILE 28 -2.361 9.153 -12.190 185 HG22 ILE 28 2HG2 ILE 28 -1.116 7.929 -11.844 186 HG23 ILE 28 3HG2 ILE 28 -0.805 9.644 -11.481 187 HD11 ILE 28 1HD1 ILE 28 1.519 9.839 -11.970 188 HD12 ILE 28 2HD1 ILE 28 1.968 9.041 -13.497 189 HD13 ILE 28 3HD1 ILE 28 2.326 10.768 -13.256 190 H GLY 29 H GLY 29 -0.238 5.621 -12.788 191 HA2 GLY 29 1HA GLY 29 -2.405 4.648 -14.552 192 HA3 GLY 29 2HA GLY 29 -1.161 3.632 -13.853 193 H ARG 30 H ARG 30 -4.352 4.580 -13.530 194 HA ARG 30 HA ARG 30 -4.260 4.202 -10.647 195 HB2 ARG 30 1HB ARG 30 -5.692 6.075 -12.319 196 HB3 ARG 30 2HB ARG 30 -6.879 5.040 -11.551 197 HG2 ARG 30 1HG ARG 30 -6.173 5.646 -9.352 198 HG3 ARG 30 2HG ARG 30 -4.628 6.252 -9.913 199 HD2 ARG 30 1HD ARG 30 -5.841 8.242 -9.526 200 HD3 ARG 30 2HD ARG 30 -6.036 8.018 -11.253 201 HE ARG 30 HE ARG 30 -8.196 6.644 -10.181 202 HH11 ARG 30 2HH2 ARG 30 -6.971 9.926 -9.856 203 HH12 ARG 30 1HH2 ARG 30 -8.533 10.616 -9.564 204 HH21 ARG 30 2HH1 ARG 30 -10.257 7.554 -9.796 205 HH22 ARG 30 1HH1 ARG 30 -10.414 9.258 -9.529 206 H ILE 31 H ILE 31 -4.635 2.051 -10.169 207 HA ILE 31 HA ILE 31 -6.539 0.618 -11.872 208 HB ILE 31 HB ILE 31 -4.264 -0.269 -10.114 209 HG12 ILE 31 1HG1 ILE 31 -4.136 -1.514 -12.599 210 HG13 ILE 31 2HG1 ILE 31 -4.704 0.099 -12.982 211 HG21 ILE 31 1HG2 ILE 31 -6.318 -2.064 -11.434 212 HG22 ILE 31 2HG2 ILE 31 -4.881 -2.574 -10.516 213 HG23 ILE 31 3HG2 ILE 31 -6.212 -1.729 -9.690 214 HD11 ILE 31 1HD1 ILE 31 -2.636 0.949 -12.634 215 HD12 ILE 31 2HD1 ILE 31 -2.624 0.306 -10.974 216 HD13 ILE 31 3HD1 ILE 31 -2.044 -0.701 -12.322 217 H LEU 32 H LEU 32 -8.109 -0.834 -10.806 218 HA LEU 32 HA LEU 32 -8.640 -0.162 -8.024 219 HB2 LEU 32 1HB LEU 32 -9.881 1.492 -9.287 220 HB3 LEU 32 2HB LEU 32 -10.613 0.243 -10.274 221 HG LEU 32 HG LEU 32 -12.123 1.161 -8.538 222 HD11 LEU 32 1HD1 LEU 32 -11.946 -1.582 -7.563 223 HD12 LEU 32 2HD1 LEU 32 -13.218 -0.779 -8.515 224 HD13 LEU 32 3HD1 LEU 32 -11.797 -1.473 -9.333 225 HD21 LEU 32 1HD2 LEU 32 -9.978 1.126 -6.871 226 HD22 LEU 32 2HD2 LEU 32 -11.673 1.239 -6.338 227 HD23 LEU 32 3HD2 LEU 32 -10.844 -0.336 -6.339 228 H LEU 33 H LEU 33 -9.700 -1.824 -6.883 229 HA LEU 33 HA LEU 33 -10.366 -4.196 -8.461 230 HB2 LEU 33 1HB LEU 33 -8.747 -4.338 -5.923 231 HB3 LEU 33 2HB LEU 33 -9.145 -5.640 -7.027 232 HG LEU 33 HG LEU 33 -7.544 -3.329 -8.065 233 HD11 LEU 33 1HD1 LEU 33 -6.686 -4.308 -5.748 234 HD12 LEU 33 2HD1 LEU 33 -6.041 -5.581 -6.813 235 HD13 LEU 33 3HD1 LEU 33 -5.571 -3.883 -7.069 236 HD21 LEU 33 1HD2 LEU 33 -8.453 -5.684 -9.165 237 HD22 LEU 33 2HD2 LEU 33 -7.128 -4.677 -9.796 238 HD23 LEU 33 3HD2 LEU 33 -6.766 -6.069 -8.747 239 H ASN 34 H ASN 34 -12.041 -5.482 -7.574 240 HA ASN 34 HA ASN 34 -13.238 -4.352 -5.175 241 HB2 ASN 34 1HB ASN 34 -14.497 -3.561 -7.200 242 HB3 ASN 34 2HB ASN 34 -14.719 -5.222 -7.714 243 HD21 ASN 34 1HD2 ASN 34 -16.716 -5.825 -7.415 244 HD22 ASN 34 2HD2 ASN 34 -17.710 -5.530 -6.028 245 H LYS 35 H LYS 35 -13.901 -5.977 -3.708 246 HA LYS 35 HA LYS 35 -13.785 -8.731 -4.728 247 HB2 LYS 35 1HB LYS 35 -12.956 -9.416 -2.556 248 HB3 LYS 35 2HB LYS 35 -11.906 -8.191 -3.240 249 HG2 LYS 35 1HG LYS 35 -13.972 -6.851 -1.725 250 HG3 LYS 35 2HG LYS 35 -13.313 -8.132 -0.725 251 HD2 LYS 35 1HD LYS 35 -11.597 -6.081 -2.202 252 HD3 LYS 35 2HD LYS 35 -12.093 -5.910 -0.530 253 HE2 LYS 35 1HE LYS 35 -10.365 -8.142 -1.694 254 HE3 LYS 35 2HE LYS 35 -9.840 -6.878 -0.601 255 HZ1 LYS 35 1HZ LYS 35 -10.263 -8.513 0.863 256 HZ2 LYS 35 2HZ LYS 35 -11.771 -7.886 0.825 257 HZ3 LYS 35 3HZ LYS 35 -11.423 -9.228 -0.038 258 H ARG 36 H ARG 36 -15.758 -6.217 -3.560 259 HA ARG 36 HA ARG 36 -17.429 -7.231 -1.792 260 HB2 ARG 36 1HB ARG 36 -17.691 -5.378 -4.090 261 HB3 ARG 36 2HB ARG 36 -19.219 -6.111 -3.642 262 HG2 ARG 36 1HG ARG 36 -19.014 -5.324 -1.341 263 HG3 ARG 36 2HG ARG 36 -17.361 -4.807 -1.604 264 HD2 ARG 36 1HD ARG 36 -18.515 -2.773 -1.822 265 HD3 ARG 36 2HD ARG 36 -18.397 -3.275 -3.497 266 HE ARG 36 HE ARG 36 -20.837 -3.210 -1.852 267 HH11 ARG 36 2HH2 ARG 36 -19.324 -4.445 -4.779 268 HH12 ARG 36 1HH2 ARG 36 -20.828 -4.741 -5.585 269 HH21 ARG 36 2HH1 ARG 36 -22.822 -3.600 -2.915 270 HH22 ARG 36 1HH1 ARG 36 -22.832 -4.257 -4.517 271 H LEU 37 H LEU 37 -18.989 -8.863 -1.639 272 HA LEU 37 HA LEU 37 -19.048 -10.776 -3.765 273 HB2 LEU 37 1HB LEU 37 -20.145 -10.584 -0.988 274 HB3 LEU 37 2HB LEU 37 -20.795 -11.786 -2.085 275 HG LEU 37 HG LEU 37 -17.880 -11.526 -1.294 276 HD11 LEU 37 1HD1 LEU 37 -20.159 -13.073 -0.176 277 HD12 LEU 37 2HD1 LEU 37 -18.597 -13.914 -0.320 278 HD13 LEU 37 3HD1 LEU 37 -18.714 -12.407 0.621 279 HD21 LEU 37 1HD2 LEU 37 -19.161 -12.917 -3.479 280 HD22 LEU 37 2HD2 LEU 37 -17.432 -12.741 -3.096 281 HD23 LEU 37 3HD2 LEU 37 -18.373 -14.067 -2.372 282 H LYS 38 H LYS 38 -21.634 -11.733 -3.838 283 HA LYS 38 HA LYS 38 -22.821 -10.010 -5.667 284 HB2 LYS 38 1HB LYS 38 -23.821 -12.426 -4.152 285 HB3 LYS 38 2HB LYS 38 -24.825 -11.573 -5.307 286 HG2 LYS 38 1HG LYS 38 -23.843 -12.796 -6.947 287 HG3 LYS 38 2HG LYS 38 -22.369 -11.893 -6.657 288 HD2 LYS 38 1HD LYS 38 -21.893 -13.602 -4.751 289 HD3 LYS 38 2HD LYS 38 -23.181 -14.566 -5.445 290 HE2 LYS 38 1HE LYS 38 -21.993 -14.626 -7.630 291 HE3 LYS 38 2HE LYS 38 -20.725 -13.600 -6.988 292 HZ1 LYS 38 1HZ LYS 38 -20.807 -16.300 -6.865 293 HZ2 LYS 38 2HZ LYS 38 -19.794 -15.336 -6.022 294 HZ3 LYS 38 3HZ LYS 38 -21.186 -15.851 -5.341 295 H ASP 39 H ASP 39 -23.072 -10.276 -2.135 296 HA ASP 39 HA ASP 39 -25.402 -8.643 -2.058 297 HB2 ASP 39 1HB ASP 39 -23.847 -10.273 -0.229 298 HB3 ASP 39 2HB ASP 39 -24.040 -8.680 0.476 299 H GLY 40 H GLY 40 -21.852 -8.343 -1.830 300 HA2 GLY 40 1HA GLY 40 -20.635 -6.426 -2.198 301 HA3 GLY 40 2HA GLY 40 -22.068 -5.444 -1.965 302 H SER 41 H SER 41 -20.518 -7.990 0.118 303 HA SER 41 HA SER 41 -20.183 -5.900 2.120 304 HB2 SER 41 1HB SER 41 -21.394 -8.663 2.426 305 HB3 SER 41 2HB SER 41 -20.641 -7.873 3.797 306 HG SER 41 HG SER 41 -22.377 -6.175 2.425 307 H VAL 42 H VAL 42 -18.619 -7.828 0.014 308 HA VAL 42 HA VAL 42 -16.601 -8.714 -0.131 309 HB VAL 42 HB VAL 42 -16.232 -6.959 2.289 310 HG11 VAL 42 1HG1 VAL 42 -13.698 -7.552 1.168 311 HG12 VAL 42 2HG1 VAL 42 -14.306 -7.966 2.789 312 HG13 VAL 42 3HG1 VAL 42 -14.514 -9.110 1.441 313 HG21 VAL 42 1HG2 VAL 42 -16.496 -5.599 0.419 314 HG22 VAL 42 2HG2 VAL 42 -14.728 -5.777 0.519 315 HG23 VAL 42 3HG2 VAL 42 -15.654 -6.738 -0.659 316 HA PRO 43 HA PRO 43 -16.971 -12.296 2.294 317 HB2 PRO 43 1HB PRO 43 -15.047 -13.809 1.080 318 HB3 PRO 43 2HB PRO 43 -16.676 -13.651 0.456 319 HG2 PRO 43 1HG PRO 43 -14.184 -12.407 -0.533 320 HG3 PRO 43 2HG PRO 43 -15.714 -12.610 -1.363 321 HD2 PRO 43 1HD PRO 43 -14.700 -10.192 -0.201 322 HD3 PRO 43 2HD PRO 43 -16.277 -10.424 -0.928 323 H ARG 44 H ARG 44 -15.790 -13.758 3.784 324 HA ARG 44 HA ARG 44 -14.552 -12.422 5.668 325 HB2 ARG 44 1HB ARG 44 -14.307 -15.249 4.684 326 HB3 ARG 44 2HB ARG 44 -13.094 -14.737 5.840 327 HG2 ARG 44 1HG ARG 44 -14.646 -15.284 7.424 328 HG3 ARG 44 2HG ARG 44 -15.381 -13.744 7.025 329 HD2 ARG 44 1HD ARG 44 -16.828 -14.877 5.319 330 HD3 ARG 44 2HD ARG 44 -16.091 -16.416 5.716 331 HE ARG 44 HE ARG 44 -17.234 -14.997 8.027 332 HH11 ARG 44 2HH2 ARG 44 -17.821 -17.321 5.451 333 HH12 ARG 44 1HH2 ARG 44 -19.158 -18.071 6.258 334 HH21 ARG 44 2HH1 ARG 44 -18.997 -15.987 9.093 335 HH22 ARG 44 1HH1 ARG 44 -19.831 -17.307 8.343 336 H ASP 45 H ASP 45 -12.854 -14.000 2.865 337 HA ASP 45 HA ASP 45 -10.853 -11.954 3.029 338 HB2 ASP 45 1HB ASP 45 -9.094 -13.939 2.763 339 HB3 ASP 45 2HB ASP 45 -9.586 -13.385 4.351 340 H SER 46 H SER 46 -11.011 -11.280 0.874 341 HA SER 46 HA SER 46 -11.325 -13.370 -1.120 342 HB2 SER 46 1HB SER 46 -11.589 -10.847 -2.368 343 HB3 SER 46 2HB SER 46 -12.876 -11.967 -1.969 344 HG SER 46 HG SER 46 -12.830 -10.936 0.244 345 H GLY 47 H GLY 47 -9.808 -10.058 -1.023 346 HA2 GLY 47 1HA GLY 47 -7.288 -11.248 -1.964 347 HA3 GLY 47 2HA GLY 47 -8.044 -9.977 -2.905 348 H ALA 48 H ALA 48 -6.712 -10.783 0.346 349 HA ALA 48 HA ALA 48 -6.872 -8.233 1.442 350 HB1 ALA 48 1HB ALA 48 -4.846 -9.170 2.803 351 HB2 ALA 48 2HB ALA 48 -6.420 -9.993 2.926 352 HB3 ALA 48 3HB ALA 48 -5.140 -10.669 1.890 353 H MET 49 H MET 49 -4.014 -9.869 -0.113 354 HA MET 49 HA MET 49 -2.807 -7.266 -0.387 355 HB2 MET 49 1HB MET 49 -1.943 -10.080 -0.248 356 HB3 MET 49 2HB MET 49 -1.183 -9.273 -1.605 357 HG2 MET 49 1HG MET 49 -0.903 -7.354 0.372 358 HG3 MET 49 2HG MET 49 -0.799 -8.827 1.317 359 HE1 MET 49 1HE MET 49 1.311 -6.773 1.153 360 HE2 MET 49 2HE MET 49 2.786 -7.184 0.246 361 HE3 MET 49 3HE MET 49 1.443 -6.349 -0.571 362 H LEU 50 H LEU 50 -5.118 -8.841 -2.080 363 HA LEU 50 HA LEU 50 -5.900 -8.659 -4.138 364 HB2 LEU 50 1HB LEU 50 -3.669 -6.652 -4.470 365 HB3 LEU 50 2HB LEU 50 -4.886 -6.973 -5.689 366 HG LEU 50 HG LEU 50 -5.376 -4.954 -4.385 367 HD11 LEU 50 1HD1 LEU 50 -7.667 -5.295 -4.199 368 HD12 LEU 50 2HD1 LEU 50 -7.160 -6.567 -5.337 369 HD13 LEU 50 3HD1 LEU 50 -7.477 -6.972 -3.633 370 HD21 LEU 50 1HD2 LEU 50 -5.750 -4.897 -2.085 371 HD22 LEU 50 2HD2 LEU 50 -5.924 -6.664 -1.967 372 HD23 LEU 50 3HD2 LEU 50 -4.321 -5.945 -2.253 373 H GLY 51 H GLY 51 -3.230 -10.231 -3.214 374 HA2 GLY 51 1HA GLY 51 -2.417 -12.149 -4.199 375 HA3 GLY 51 2HA GLY 51 -3.016 -11.628 -5.761 376 H LEU 52 H LEU 52 -1.713 -8.820 -4.865 377 HA LEU 52 HA LEU 52 0.905 -9.539 -5.965 378 HB2 LEU 52 1HB LEU 52 0.916 -7.600 -7.101 379 HB3 LEU 52 2HB LEU 52 -0.818 -7.834 -7.002 380 HG LEU 52 HG LEU 52 -0.676 -6.364 -4.860 381 HD11 LEU 52 1HD1 LEU 52 1.383 -5.771 -4.254 382 HD12 LEU 52 2HD1 LEU 52 2.078 -6.273 -5.815 383 HD13 LEU 52 3HD1 LEU 52 1.360 -4.653 -5.639 384 HD21 LEU 52 1HD2 LEU 52 -0.522 -4.270 -6.471 385 HD22 LEU 52 2HD2 LEU 52 -0.584 -5.529 -7.727 386 HD23 LEU 52 3HD2 LEU 52 -1.897 -5.399 -6.532 387 H LYS 53 H LYS 53 2.783 -8.183 -5.129 388 HA LYS 53 HA LYS 53 2.400 -7.698 -2.256 389 HB2 LYS 53 1HB LYS 53 3.625 -9.788 -2.649 390 HB3 LYS 53 2HB LYS 53 4.794 -8.942 -3.642 391 HG2 LYS 53 1HG LYS 53 5.525 -7.579 -1.739 392 HG3 LYS 53 2HG LYS 53 4.233 -8.204 -0.733 393 HD2 LYS 53 1HD LYS 53 5.203 -10.446 -0.747 394 HD3 LYS 53 2HD LYS 53 6.376 -9.992 -1.966 395 HE2 LYS 53 1HE LYS 53 7.522 -8.489 -0.423 396 HE3 LYS 53 2HE LYS 53 6.245 -8.643 0.768 397 HZ1 LYS 53 1HZ LYS 53 8.052 -10.782 -0.120 398 HZ2 LYS 53 2HZ LYS 53 8.041 -10.058 1.344 399 HZ3 LYS 53 3HZ LYS 53 6.794 -11.012 0.895 400 H VAL 54 H VAL 54 3.412 -5.864 -1.372 401 HA VAL 54 HA VAL 54 4.795 -4.156 -3.312 402 HB VAL 54 HB VAL 54 2.597 -3.328 -1.405 403 HG11 VAL 54 1HG1 VAL 54 3.357 -1.317 -3.333 404 HG12 VAL 54 2HG1 VAL 54 3.316 -1.222 -1.556 405 HG13 VAL 54 3HG1 VAL 54 4.775 -1.820 -2.382 406 HG21 VAL 54 1HG2 VAL 54 2.672 -3.954 -4.316 407 HG22 VAL 54 2HG2 VAL 54 1.352 -4.131 -3.134 408 HG23 VAL 54 3HG2 VAL 54 1.724 -2.531 -3.820 409 H VAL 55 H VAL 55 6.595 -3.104 -2.503 410 HA VAL 55 HA VAL 55 7.130 -3.600 0.345 411 HB VAL 55 HB VAL 55 8.829 -3.737 -2.116 412 HG11 VAL 55 1HG1 VAL 55 10.423 -2.488 -1.139 413 HG12 VAL 55 2HG1 VAL 55 9.635 -2.557 0.455 414 HG13 VAL 55 3HG1 VAL 55 10.676 -3.897 -0.082 415 HG21 VAL 55 1HG2 VAL 55 7.830 -5.783 -1.117 416 HG22 VAL 55 2HG2 VAL 55 9.610 -5.805 -1.115 417 HG23 VAL 55 3HG2 VAL 55 8.722 -5.453 0.388 418 H GLY 56 H GLY 56 6.896 -1.774 1.522 419 HA2 GLY 56 1HA GLY 56 7.283 0.809 0.185 420 HA3 GLY 56 2HA GLY 56 6.463 0.515 1.705 421 H GLY 57 H GLY 57 7.924 2.409 2.354 422 HA2 GLY 57 1HA GLY 57 9.710 3.213 3.456 423 HA3 GLY 57 2HA GLY 57 9.913 1.588 4.079 424 H LYS 58 H LYS 58 10.013 1.929 0.588 425 HA LYS 58 HA LYS 58 12.690 0.989 0.531 426 HB2 LYS 58 1HB LYS 58 11.113 0.252 -1.132 427 HB3 LYS 58 2HB LYS 58 10.768 1.897 -1.627 428 HG2 LYS 58 1HG LYS 58 12.585 1.967 -2.996 429 HG3 LYS 58 2HG LYS 58 13.649 1.374 -1.736 430 HD2 LYS 58 1HD LYS 58 13.800 -0.443 -3.152 431 HD3 LYS 58 2HD LYS 58 12.372 -0.949 -2.269 432 HE2 LYS 58 1HE LYS 58 10.992 -0.657 -4.079 433 HE3 LYS 58 2HE LYS 58 11.751 0.854 -4.539 434 HZ1 LYS 58 1HZ LYS 58 13.023 -0.205 -5.981 435 HZ2 LYS 58 2HZ LYS 58 13.476 -1.359 -4.918 436 HZ3 LYS 58 3HZ LYS 58 12.089 -1.526 -5.765 437 H MET 59 H MET 59 14.527 2.147 0.698 438 HA MET 59 HA MET 59 14.375 4.949 0.873 439 HB2 MET 59 1HB MET 59 16.297 2.792 1.339 440 HB3 MET 59 2HB MET 59 17.094 4.089 0.472 441 HG2 MET 59 1HG MET 59 15.407 4.587 2.966 442 HG3 MET 59 2HG MET 59 17.125 4.253 3.046 443 HE1 MET 59 1HE MET 59 14.561 7.428 1.889 444 HE2 MET 59 2HE MET 59 14.711 6.438 3.361 445 HE3 MET 59 3HE MET 59 15.504 8.029 3.274 446 H THR 60 H THR 60 14.267 6.370 -0.806 447 HA THR 60 HA THR 60 15.045 5.464 -3.449 448 HB THR 60 HB THR 60 14.033 7.765 -4.020 449 HG1 THR 60 1HG THR 60 12.821 8.542 -2.001 450 HG21 THR 60 1HG2 THR 60 12.699 5.436 -3.528 451 HG22 THR 60 2HG2 THR 60 12.039 6.431 -2.209 452 HG23 THR 60 3HG2 THR 60 11.853 6.957 -3.899 453 H GLU 61 H GLU 61 15.936 7.740 -4.697 454 HA GLU 61 HA GLU 61 18.597 7.809 -3.631 455 HB2 GLU 61 1HB GLU 61 19.250 8.684 -5.757 456 HB3 GLU 61 2HB GLU 61 18.021 7.482 -6.100 457 HG2 GLU 61 1HG GLU 61 16.310 9.428 -6.055 458 HG3 GLU 61 2HG GLU 61 17.687 10.511 -6.059 459 H SER 62 H SER 62 15.758 9.537 -3.115 460 HA SER 62 HA SER 62 17.230 12.016 -2.702 461 HB2 SER 62 1HB SER 62 14.767 11.544 -3.957 462 HB3 SER 62 2HB SER 62 14.304 12.151 -2.380 463 HG SER 62 HG SER 62 15.967 13.918 -2.835 464 H GLY 63 H GLY 63 16.911 9.380 -1.016 465 HA2 GLY 63 1HA GLY 63 16.909 8.907 1.184 466 HA3 GLY 63 2HA GLY 63 16.904 10.626 1.522 467 H ARG 64 H ARG 64 14.356 9.402 -0.574 468 HA ARG 64 HA ARG 64 12.517 9.839 1.626 469 HB2 ARG 64 1HB ARG 64 12.474 10.397 -1.279 470 HB3 ARG 64 2HB ARG 64 11.003 9.615 -0.736 471 HG2 ARG 64 1HG ARG 64 10.836 11.348 1.117 472 HG3 ARG 64 2HG ARG 64 12.220 12.166 0.420 473 HD2 ARG 64 1HD ARG 64 10.311 11.655 -1.699 474 HD3 ARG 64 2HD ARG 64 9.457 12.388 -0.356 475 HE ARG 64 HE ARG 64 11.330 13.712 -2.094 476 HH11 ARG 64 2HH2 ARG 64 10.339 13.590 1.281 477 HH12 ARG 64 1HH2 ARG 64 10.830 15.217 1.617 478 HH21 ARG 64 2HH1 ARG 64 11.977 15.859 -1.651 479 HH22 ARG 64 1HH1 ARG 64 11.768 16.516 -0.062 480 H LEU 65 H LEU 65 10.393 8.424 1.412 481 HA LEU 65 HA LEU 65 11.259 5.684 0.809 482 HB2 LEU 65 1HB LEU 65 9.186 6.660 2.780 483 HB3 LEU 65 2HB LEU 65 9.602 4.985 2.473 484 HG LEU 65 HG LEU 65 11.622 7.005 3.466 485 HD11 LEU 65 1HD1 LEU 65 9.514 6.636 4.948 486 HD12 LEU 65 2HD1 LEU 65 10.253 5.054 5.294 487 HD13 LEU 65 3HD1 LEU 65 11.134 6.552 5.680 488 HD21 LEU 65 1HD2 LEU 65 12.408 4.872 2.378 489 HD22 LEU 65 2HD2 LEU 65 12.963 5.131 4.050 490 HD23 LEU 65 3HD2 LEU 65 11.637 3.990 3.718 491 H CYS 66 H CYS 66 9.887 4.315 -0.394 492 HA CYS 66 HA CYS 66 7.388 5.407 -1.319 493 HB2 CYS 66 1HB CYS 66 9.769 5.083 -3.136 494 HB3 CYS 66 2HB CYS 66 8.150 4.835 -3.758 495 HG CYS 66 HG CYS 66 7.658 7.114 -4.128 496 H ALA 67 H ALA 67 6.252 3.650 -2.716 497 HA ALA 67 HA ALA 67 7.146 1.009 -1.779 498 HB1 ALA 67 1HB ALA 67 5.049 0.609 -1.046 499 HB2 ALA 67 2HB ALA 67 4.781 2.361 -1.204 500 HB3 ALA 67 3HB ALA 67 4.319 1.267 -2.530 501 H PHE 68 H PHE 68 7.126 -0.717 -3.274 502 HA PHE 68 HA PHE 68 6.276 -0.084 -5.981 503 HB2 PHE 68 1HB PHE 68 9.027 -1.224 -5.212 504 HB3 PHE 68 2HB PHE 68 8.504 -0.818 -6.835 505 HD1 PHE 68 1HD PHE 68 9.407 0.622 -3.553 506 HD2 PHE 68 2HD PHE 68 8.707 1.392 -7.667 507 HE1 PHE 68 1HE PHE 68 10.361 2.927 -3.284 508 HE2 PHE 68 2HE PHE 68 9.662 3.697 -7.398 509 HZ PHE 68 HZ PHE 68 10.478 4.438 -5.209 510 H ILE 69 H ILE 69 5.685 -1.925 -7.206 511 HA ILE 69 HA ILE 69 4.888 -4.150 -5.695 512 HB ILE 69 HB ILE 69 5.071 -3.670 -8.668 513 HG12 ILE 69 1HG1 ILE 69 2.710 -3.559 -6.767 514 HG13 ILE 69 2HG1 ILE 69 3.564 -2.165 -7.398 515 HG21 ILE 69 1HG2 ILE 69 3.320 -5.792 -7.497 516 HG22 ILE 69 2HG2 ILE 69 4.040 -5.661 -9.120 517 HG23 ILE 69 3HG2 ILE 69 5.050 -6.139 -7.734 518 HD11 ILE 69 1HD1 ILE 69 1.369 -3.188 -8.602 519 HD12 ILE 69 2HD1 ILE 69 2.668 -2.387 -9.517 520 HD13 ILE 69 3HD1 ILE 69 2.612 -4.163 -9.421 521 H THR 70 H THR 70 5.733 -6.234 -5.482 522 HA THR 70 HA THR 70 8.511 -6.500 -6.427 523 HB THR 70 HB THR 70 8.909 -7.763 -4.380 524 HG1 THR 70 1HG THR 70 6.050 -7.329 -3.911 525 HG21 THR 70 1HG2 THR 70 8.884 -5.940 -3.000 526 HG22 THR 70 2HG2 THR 70 7.981 -5.076 -4.268 527 HG23 THR 70 3HG2 THR 70 7.104 -5.931 -2.977 528 H LYS 71 H LYS 71 5.408 -8.248 -5.835 529 HA LYS 71 HA LYS 71 5.973 -9.844 -8.169 530 HB2 LYS 71 1HB LYS 71 7.141 -11.095 -6.409 531 HB3 LYS 71 2HB LYS 71 5.681 -11.137 -5.441 532 HG2 LYS 71 1HG LYS 71 4.906 -12.935 -6.585 533 HG3 LYS 71 2HG LYS 71 5.045 -12.080 -8.108 534 HD2 LYS 71 1HD LYS 71 7.539 -13.205 -6.806 535 HD3 LYS 71 2HD LYS 71 6.467 -14.282 -7.679 536 HE2 LYS 71 1HE LYS 71 6.932 -13.313 -9.747 537 HE3 LYS 71 2HE LYS 71 7.210 -11.722 -9.066 538 HZ1 LYS 71 1HZ LYS 71 9.191 -13.054 -9.869 539 HZ2 LYS 71 2HZ LYS 71 9.327 -12.308 -8.423 540 HZ3 LYS 71 3HZ LYS 71 9.050 -13.916 -8.489 541 H VAL 72 H VAL 72 4.070 -10.693 -9.113 542 HA VAL 72 HA VAL 72 1.594 -10.122 -7.667 543 HB VAL 72 HB VAL 72 1.527 -8.232 -8.908 544 HG11 VAL 72 1HG1 VAL 72 3.455 -9.650 -10.686 545 HG12 VAL 72 2HG1 VAL 72 2.468 -8.363 -11.418 546 HG13 VAL 72 3HG1 VAL 72 3.506 -8.001 -10.018 547 HG21 VAL 72 1HG2 VAL 72 0.196 -8.552 -10.964 548 HG22 VAL 72 2HG2 VAL 72 0.586 -10.289 -10.936 549 HG23 VAL 72 3HG2 VAL 72 -0.384 -9.574 -9.626 550 H LYS 73 H LYS 73 0.691 -12.105 -7.443 551 HA LYS 73 HA LYS 73 1.354 -14.318 -8.941 552 HB2 LYS 73 1HB LYS 73 0.220 -14.275 -6.712 553 HB3 LYS 73 2HB LYS 73 -1.266 -13.797 -7.507 554 HG2 LYS 73 1HG LYS 73 -1.691 -15.920 -8.210 555 HG3 LYS 73 2HG LYS 73 -0.070 -16.118 -8.845 556 HD2 LYS 73 1HD LYS 73 0.681 -16.409 -6.366 557 HD3 LYS 73 2HD LYS 73 -1.022 -16.585 -5.992 558 HE2 LYS 73 1HE LYS 73 -1.173 -18.471 -7.653 559 HE3 LYS 73 2HE LYS 73 0.542 -18.309 -7.974 560 HZ1 LYS 73 1HZ LYS 73 -0.710 -19.058 -5.430 561 HZ2 LYS 73 2HZ LYS 73 0.271 -19.972 -6.363 562 HZ3 LYS 73 3HZ LYS 73 0.874 -18.684 -5.560 563 H LYS 74 H LYS 74 0.281 -15.469 -10.652 564 HA LYS 74 HA LYS 74 -1.024 -13.628 -12.489 565 HB2 LYS 74 1HB LYS 74 0.981 -15.008 -13.151 566 HB3 LYS 74 2HB LYS 74 -0.017 -16.440 -13.000 567 HG2 LYS 74 1HG LYS 74 -0.796 -16.095 -15.099 568 HG3 LYS 74 2HG LYS 74 -1.543 -14.604 -14.560 569 HD2 LYS 74 1HD LYS 74 -0.021 -13.351 -15.686 570 HD3 LYS 74 2HD LYS 74 1.315 -14.173 -14.904 571 HE2 LYS 74 1HE LYS 74 0.379 -16.098 -16.712 572 HE3 LYS 74 2HE LYS 74 0.168 -14.600 -17.597 573 HZ1 LYS 74 1HZ LYS 74 2.366 -15.558 -17.870 574 HZ2 LYS 74 2HZ LYS 74 2.452 -14.073 -17.196 575 HZ3 LYS 74 3HZ LYS 74 2.665 -15.403 -16.272 576 H GLY 75 H GLY 75 -3.191 -13.445 -12.254 577 HA2 GLY 75 1HA GLY 75 -5.248 -14.595 -12.822 578 HA3 GLY 75 2HA GLY 75 -4.705 -15.957 -11.861 579 H SER 76 H SER 76 -3.906 -12.762 -10.639 580 HA SER 76 HA SER 76 -6.012 -13.119 -8.656 581 HB2 SER 76 1HB SER 76 -4.466 -11.595 -7.244 582 HB3 SER 76 2HB SER 76 -3.952 -13.250 -7.502 583 HG SER 76 HG SER 76 -2.515 -12.539 -9.161 584 H LEU 77 H LEU 77 -6.565 -10.830 -7.566 585 HA LEU 77 HA LEU 77 -7.929 -9.326 -9.351 586 HB2 LEU 77 1HB LEU 77 -6.836 -8.859 -6.625 587 HB3 LEU 77 2HB LEU 77 -7.440 -7.466 -7.500 588 HG LEU 77 HG LEU 77 -9.158 -9.920 -7.299 589 HD11 LEU 77 1HD1 LEU 77 -9.416 -9.828 -5.100 590 HD12 LEU 77 2HD1 LEU 77 -8.119 -8.612 -5.016 591 HD13 LEU 77 3HD1 LEU 77 -9.814 -8.095 -5.185 592 HD21 LEU 77 1HD2 LEU 77 -10.645 -8.599 -8.275 593 HD22 LEU 77 2HD2 LEU 77 -10.531 -7.441 -6.928 594 HD23 LEU 77 3HD2 LEU 77 -9.442 -7.288 -8.327 595 H ALA 78 H ALA 78 -4.810 -8.183 -7.872 596 HA ALA 78 HA ALA 78 -4.465 -6.282 -9.960 597 HB1 ALA 78 1HB ALA 78 -3.587 -6.561 -7.376 598 HB2 ALA 78 2HB ALA 78 -2.135 -7.034 -8.290 599 HB3 ALA 78 3HB ALA 78 -2.880 -5.441 -8.565 600 H ASP 79 H ASP 79 -4.862 -8.320 -11.526 601 HA ASP 79 HA ASP 79 -2.376 -8.690 -12.773 602 HB2 ASP 79 1HB ASP 79 -2.398 -10.475 -10.901 603 HB3 ASP 79 2HB ASP 79 -3.720 -11.235 -11.766 604 H THR 80 H THR 80 -5.665 -10.172 -12.255 605 HA THR 80 HA THR 80 -5.994 -10.533 -15.117 606 HB THR 80 HB THR 80 -7.954 -11.813 -14.433 607 HG1 THR 80 1HG THR 80 -7.392 -10.831 -11.742 608 HG21 THR 80 1HG2 THR 80 -5.792 -12.112 -12.280 609 HG22 THR 80 2HG2 THR 80 -7.086 -13.291 -12.605 610 HG23 THR 80 3HG2 THR 80 -5.831 -12.985 -13.831 611 H VAL 81 H VAL 81 -7.204 -8.454 -12.462 612 HA VAL 81 HA VAL 81 -8.776 -7.008 -14.470 613 HB VAL 81 HB VAL 81 -9.860 -5.997 -12.452 614 HG11 VAL 81 1HG1 VAL 81 -11.455 -7.576 -12.587 615 HG12 VAL 81 2HG1 VAL 81 -10.366 -8.375 -13.747 616 HG13 VAL 81 3HG1 VAL 81 -10.359 -8.866 -12.036 617 HG21 VAL 81 1HG2 VAL 81 -7.924 -6.546 -10.909 618 HG22 VAL 81 2HG2 VAL 81 -9.546 -6.918 -10.277 619 HG23 VAL 81 3HG2 VAL 81 -8.513 -8.226 -10.902 620 H GLY 82 H GLY 82 -6.218 -6.747 -11.964 621 HA2 GLY 82 1HA GLY 82 -5.888 -3.912 -12.338 622 HA3 GLY 82 2HA GLY 82 -4.894 -4.995 -11.383 623 H HIS 83 H HIS 83 -4.120 -6.937 -13.289 624 HA HIS 83 HA HIS 83 -2.629 -7.330 -14.849 625 HB2 HIS 83 1HB HIS 83 -3.629 -4.753 -16.094 626 HB3 HIS 83 2HB HIS 83 -2.592 -5.919 -16.892 627 HD1 HIS 83 1HD HIS 83 -3.757 -8.522 -16.851 628 HD2 HIS 83 2HD HIS 83 -6.258 -5.159 -16.672 629 HE1 HIS 83 1HE HIS 83 -6.071 -9.313 -17.576 630 H LEU 84 H LEU 84 -1.883 -5.954 -12.398 631 HA LEU 84 HA LEU 84 -0.047 -3.883 -13.045 632 HB2 LEU 84 1HB LEU 84 -0.344 -5.569 -10.555 633 HB3 LEU 84 2HB LEU 84 0.643 -4.128 -10.699 634 HG LEU 84 HG LEU 84 -1.958 -4.235 -9.801 635 HD11 LEU 84 1HD1 LEU 84 -1.873 -1.761 -9.907 636 HD12 LEU 84 2HD1 LEU 84 -0.382 -2.488 -9.262 637 HD13 LEU 84 3HD1 LEU 84 -0.424 -1.881 -10.935 638 HD21 LEU 84 1HD2 LEU 84 -3.021 -4.584 -11.866 639 HD22 LEU 84 2HD2 LEU 84 -3.195 -2.842 -11.545 640 HD23 LEU 84 3HD2 LEU 84 -1.973 -3.415 -12.705 641 H ARG 85 H ARG 85 2.314 -4.472 -11.754 642 HA ARG 85 HA ARG 85 3.257 -6.999 -12.624 643 HB2 ARG 85 1HB ARG 85 3.747 -4.531 -14.246 644 HB3 ARG 85 2HB ARG 85 5.171 -5.503 -13.932 645 HG2 ARG 85 1HG ARG 85 4.494 -7.153 -15.355 646 HG3 ARG 85 2HG ARG 85 2.871 -7.174 -14.694 647 HD2 ARG 85 1HD ARG 85 2.061 -5.631 -16.240 648 HD3 ARG 85 2HD ARG 85 3.591 -4.786 -16.368 649 HE ARG 85 HE ARG 85 3.669 -7.519 -17.437 650 HH11 ARG 85 2HH2 ARG 85 2.998 -4.142 -18.165 651 HH12 ARG 85 1HH2 ARG 85 3.248 -4.327 -19.869 652 HH21 ARG 85 2HH1 ARG 85 3.999 -7.763 -19.685 653 HH22 ARG 85 1HH1 ARG 85 3.821 -6.401 -20.740 654 HA PRO 86 HA PRO 86 6.083 -5.981 -9.461 655 HB2 PRO 86 1HB PRO 86 8.080 -7.798 -9.889 656 HB3 PRO 86 2HB PRO 86 6.580 -8.196 -9.075 657 HG2 PRO 86 1HG PRO 86 7.435 -8.875 -11.822 658 HG3 PRO 86 2HG PRO 86 6.165 -9.601 -10.857 659 HD2 PRO 86 1HD PRO 86 5.830 -7.744 -13.017 660 HD3 PRO 86 2HD PRO 86 4.572 -8.380 -11.977 661 H GLY 87 H GLY 87 6.558 -3.830 -9.970 662 HA2 GLY 87 1HA GLY 87 9.208 -3.223 -10.261 663 HA3 GLY 87 2HA GLY 87 8.608 -3.305 -11.905 664 H ASP 88 H ASP 88 5.866 -2.421 -11.351 665 HA ASP 88 HA ASP 88 6.117 0.226 -11.750 666 HB2 ASP 88 1HB ASP 88 3.960 -1.607 -10.842 667 HB3 ASP 88 2HB ASP 88 3.696 0.065 -10.388 668 H GLU 89 H GLU 89 4.816 1.869 -10.034 669 HA GLU 89 HA GLU 89 5.877 1.350 -7.384 670 HB2 GLU 89 1HB GLU 89 7.547 2.770 -8.498 671 HB3 GLU 89 2HB GLU 89 6.308 3.912 -8.982 672 HG2 GLU 89 1HG GLU 89 5.775 4.256 -6.505 673 HG3 GLU 89 2HG GLU 89 7.171 3.267 -6.125 674 H VAL 90 H VAL 90 3.929 1.124 -6.311 675 HA VAL 90 HA VAL 90 1.675 2.721 -7.023 676 HB VAL 90 HB VAL 90 1.442 0.435 -6.264 677 HG11 VAL 90 1HG1 VAL 90 3.307 0.149 -4.799 678 HG12 VAL 90 2HG1 VAL 90 2.735 1.436 -3.711 679 HG13 VAL 90 3HG1 VAL 90 1.838 -0.098 -3.824 680 HG21 VAL 90 1HG2 VAL 90 -0.021 1.102 -4.071 681 HG22 VAL 90 2HG2 VAL 90 0.166 2.697 -4.840 682 HG23 VAL 90 3HG2 VAL 90 -0.562 1.350 -5.749 683 H LEU 91 H LEU 91 1.192 4.740 -6.331 684 HA LEU 91 HA LEU 91 2.875 5.853 -4.239 685 HB2 LEU 91 1HB LEU 91 0.868 7.218 -6.034 686 HB3 LEU 91 2HB LEU 91 2.042 7.992 -4.989 687 HG LEU 91 HG LEU 91 2.643 6.332 -7.451 688 HD11 LEU 91 1HD1 LEU 91 1.758 8.515 -8.008 689 HD12 LEU 91 2HD1 LEU 91 2.915 9.300 -6.907 690 HD13 LEU 91 3HD1 LEU 91 3.502 8.460 -8.363 691 HD21 LEU 91 1HD2 LEU 91 5.014 7.297 -6.997 692 HD22 LEU 91 2HD2 LEU 91 4.439 7.452 -5.319 693 HD23 LEU 91 3HD2 LEU 91 4.465 5.856 -6.107 694 H GLU 92 H GLU 92 -0.646 5.576 -5.086 695 HA GLU 92 HA GLU 92 -1.151 5.892 -2.231 696 HB2 GLU 92 1HB GLU 92 -2.859 6.569 -4.658 697 HB3 GLU 92 2HB GLU 92 -3.520 6.510 -3.036 698 HG2 GLU 92 1HG GLU 92 -2.195 8.339 -2.286 699 HG3 GLU 92 2HG GLU 92 -1.035 8.159 -3.587 700 H TRP 93 H TRP 93 -3.075 4.620 -1.379 701 HA TRP 93 HA TRP 93 -3.654 2.232 -2.947 702 HB2 TRP 93 1HB TRP 93 -1.717 1.576 -1.678 703 HB3 TRP 93 2HB TRP 93 -2.410 2.199 -0.194 704 HD1 TRP 93 HD TRP 93 -4.679 0.779 0.722 705 HE1 TRP 93 1HE TRP 93 -5.295 -1.785 0.623 706 HE3 TRP 93 3HE TRP 93 -1.457 -0.388 -3.035 707 HZ2 TRP 93 2HZ TRP 93 -4.386 -3.965 -0.980 708 HZ3 TRP 93 3HZ TRP 93 -1.384 -2.757 -3.808 709 HH2 TRP 93 HH TRP 93 -2.780 -4.516 -2.844 710 H ASN 94 H ASN 94 -5.803 3.003 -3.177 711 HA ASN 94 HA ASN 94 -7.906 3.013 -2.576 712 HB2 ASN 94 1HB ASN 94 -6.812 1.618 -0.398 713 HB3 ASN 94 2HB ASN 94 -7.634 2.955 0.381 714 HD21 ASN 94 1HD2 ASN 94 -8.475 0.428 0.814 715 HD22 ASN 94 2HD2 ASN 94 -10.011 0.128 0.072 716 H GLY 95 H GLY 95 -5.653 5.226 -2.184 717 HA2 GLY 95 1HA GLY 95 -6.315 7.534 -2.190 718 HA3 GLY 95 2HA GLY 95 -7.435 7.194 -0.886 719 H ARG 96 H ARG 96 -4.999 5.246 0.027 720 HA ARG 96 HA ARG 96 -3.984 7.239 1.805 721 HB2 ARG 96 1HB ARG 96 -3.980 4.241 1.640 722 HB3 ARG 96 2HB ARG 96 -2.615 4.956 2.475 723 HG2 ARG 96 1HG ARG 96 -5.286 6.088 3.200 724 HG3 ARG 96 2HG ARG 96 -5.032 4.417 3.665 725 HD2 ARG 96 1HD ARG 96 -3.796 5.113 5.437 726 HD3 ARG 96 2HD ARG 96 -2.616 5.796 4.336 727 HE ARG 96 HE ARG 96 -3.522 7.937 4.700 728 HH11 ARG 96 2HH2 ARG 96 -5.698 5.490 5.988 729 HH12 ARG 96 1HH2 ARG 96 -6.710 6.635 6.802 730 HH21 ARG 96 2HH1 ARG 96 -4.856 9.449 5.775 731 HH22 ARG 96 1HH1 ARG 96 -6.228 8.902 6.681 732 H LEU 97 H LEU 97 -2.118 8.381 1.391 733 HA LEU 97 HA LEU 97 -0.523 7.738 -0.859 734 HB2 LEU 97 1HB LEU 97 -0.950 10.019 -0.157 735 HB3 LEU 97 2HB LEU 97 -0.162 9.732 1.381 736 HG LEU 97 HG LEU 97 1.794 9.040 -0.467 737 HD11 LEU 97 1HD1 LEU 97 0.575 9.920 -2.337 738 HD12 LEU 97 2HD1 LEU 97 0.263 11.449 -1.480 739 HD13 LEU 97 3HD1 LEU 97 1.921 11.025 -1.968 740 HD21 LEU 97 1HD2 LEU 97 1.475 11.767 0.802 741 HD22 LEU 97 2HD2 LEU 97 1.968 10.310 1.698 742 HD23 LEU 97 3HD2 LEU 97 2.981 10.924 0.369 743 H LEU 98 H LEU 98 1.335 6.559 -1.029 744 HA LEU 98 HA LEU 98 2.216 5.256 1.430 745 HB2 LEU 98 1HB LEU 98 2.890 4.582 -1.435 746 HB3 LEU 98 2HB LEU 98 3.234 3.619 -0.011 747 HG LEU 98 HG LEU 98 0.539 4.175 -1.263 748 HD11 LEU 98 1HD1 LEU 98 2.423 1.897 -1.196 749 HD12 LEU 98 2HD1 LEU 98 0.709 1.490 -0.942 750 HD13 LEU 98 3HD1 LEU 98 1.209 2.359 -2.413 751 HD21 LEU 98 1HD2 LEU 98 -0.329 4.129 0.795 752 HD22 LEU 98 2HD2 LEU 98 0.046 2.389 0.767 753 HD23 LEU 98 3HD2 LEU 98 1.181 3.532 1.524 754 H GLN 99 H GLN 99 3.078 7.715 -0.903 755 HA GLN 99 HA GLN 99 5.813 7.582 -0.762 756 HB2 GLN 99 1HB GLN 99 3.777 9.650 -1.432 757 HB3 GLN 99 2HB GLN 99 5.345 10.287 -0.977 758 HG2 GLN 99 1HG GLN 99 6.302 8.479 -2.645 759 HG3 GLN 99 2HG GLN 99 4.667 8.420 -3.272 760 HE21 GLN 99 1HE2 GLN 99 5.140 9.290 -5.232 761 HE22 GLN 99 2HE2 GLN 99 5.592 10.943 -5.488 762 H GLY 100 H GLY 100 7.188 7.732 0.952 763 HA2 GLY 100 1HA GLY 100 8.129 8.887 2.739 764 HA3 GLY 100 2HA GLY 100 6.600 9.685 3.054 765 H ALA 101 H ALA 101 5.005 7.141 2.815 766 HA ALA 101 HA ALA 101 5.037 6.417 5.506 767 HB1 ALA 101 1HB ALA 101 3.053 6.197 4.137 768 HB2 ALA 101 2HB ALA 101 3.883 5.075 3.031 769 HB3 ALA 101 3HB ALA 101 3.519 4.574 4.699 770 H THR 102 H THR 102 5.844 4.587 6.613 771 HA THR 102 HA THR 102 8.236 3.488 5.428 772 HB THR 102 HB THR 102 8.730 2.865 7.673 773 HG1 THR 102 1HG THR 102 5.833 3.123 8.073 774 HG21 THR 102 1HG2 THR 102 6.679 4.918 8.475 775 HG22 THR 102 2HG2 THR 102 8.394 4.799 8.935 776 HG23 THR 102 3HG2 THR 102 7.943 5.448 7.340 777 H PHE 103 H PHE 103 8.679 1.072 5.709 778 HA PHE 103 HA PHE 103 7.137 -0.345 4.008 779 HB2 PHE 103 1HB PHE 103 9.375 -1.010 4.902 780 HB3 PHE 103 2HB PHE 103 8.709 -1.192 6.512 781 HD1 PHE 103 2HD PHE 103 7.034 -3.046 6.926 782 HD2 PHE 103 1HD PHE 103 9.335 -2.800 3.369 783 HE1 PHE 103 2HE PHE 103 6.582 -5.472 6.466 784 HE2 PHE 103 1HE PHE 103 8.883 -5.226 2.909 785 HZ PHE 103 HZ PHE 103 7.511 -6.532 4.463 786 H GLU 104 H GLU 104 6.822 -0.233 7.617 787 HA GLU 104 HA GLU 104 4.764 -2.096 7.713 788 HB2 GLU 104 1HB GLU 104 5.766 0.060 9.586 789 HB3 GLU 104 2HB GLU 104 4.313 -0.833 9.989 790 HG2 GLU 104 1HG GLU 104 5.474 -2.926 10.068 791 HG3 GLU 104 2HG GLU 104 6.850 -2.299 9.183 792 H GLU 105 H GLU 105 4.704 1.538 7.827 793 HA GLU 105 HA GLU 105 2.047 1.900 8.049 794 HB2 GLU 105 1HB GLU 105 4.277 3.440 6.768 795 HB3 GLU 105 2HB GLU 105 2.649 3.962 6.386 796 HG2 GLU 105 1HG GLU 105 2.209 3.887 8.956 797 HG3 GLU 105 2HG GLU 105 3.949 3.773 9.131 798 H VAL 106 H VAL 106 3.894 1.623 4.924 799 HA VAL 106 HA VAL 106 1.763 1.793 3.213 800 HB VAL 106 HB VAL 106 4.303 0.164 3.028 801 HG11 VAL 106 1HG1 VAL 106 2.251 -0.334 1.422 802 HG12 VAL 106 2HG1 VAL 106 2.838 1.132 0.601 803 HG13 VAL 106 3HG1 VAL 106 3.919 -0.267 0.804 804 HG21 VAL 106 1HG2 VAL 106 3.581 2.981 2.168 805 HG22 VAL 106 2HG2 VAL 106 4.824 2.476 3.338 806 HG23 VAL 106 3HG2 VAL 106 5.034 2.120 1.606 807 H TYR 107 H TYR 107 3.157 -1.176 4.769 808 HA TYR 107 HA TYR 107 1.365 -2.973 3.641 809 HB2 TYR 107 1HB TYR 107 3.504 -3.456 4.909 810 HB3 TYR 107 2HB TYR 107 2.782 -2.822 6.375 811 HD1 TYR 107 2HD TYR 107 0.553 -4.030 7.152 812 HD2 TYR 107 1HD TYR 107 3.458 -5.755 4.527 813 HE1 TYR 107 2HE TYR 107 -0.291 -6.357 7.735 814 HE2 TYR 107 1HE TYR 107 2.604 -8.076 5.119 815 HH TYR 107 HH TYR 107 1.427 -9.111 7.089 816 H ASN 108 H ASN 108 1.283 -1.481 6.961 817 HA ASN 108 HA ASN 108 -0.933 -2.518 7.920 818 HB2 ASN 108 1HB ASN 108 0.191 0.286 8.033 819 HB3 ASN 108 2HB ASN 108 -1.391 0.026 8.741 820 HD21 ASN 108 1HD2 ASN 108 1.400 0.564 9.794 821 HD22 ASN 108 2HD2 ASN 108 1.653 -0.604 11.047 822 H ILE 109 H ILE 109 -0.746 0.298 5.628 823 HA ILE 109 HA ILE 109 -3.411 0.912 5.467 824 HB ILE 109 HB ILE 109 -1.244 1.020 3.369 825 HG12 ILE 109 1HG1 ILE 109 -2.312 3.358 4.926 826 HG13 ILE 109 2HG1 ILE 109 -1.132 2.295 5.665 827 HG21 ILE 109 1HG2 ILE 109 -3.437 2.932 3.100 828 HG22 ILE 109 2HG2 ILE 109 -2.643 1.910 1.878 829 HG23 ILE 109 3HG2 ILE 109 -3.955 1.243 2.879 830 HD11 ILE 109 1HD1 ILE 109 -0.620 4.416 3.860 831 HD12 ILE 109 2HD1 ILE 109 0.549 3.213 4.456 832 HD13 ILE 109 3HD1 ILE 109 -0.325 2.926 2.933 833 H ILE 110 H ILE 110 -1.560 -1.385 3.341 834 HA ILE 110 HA ILE 110 -3.758 -2.260 1.906 835 HB ILE 110 HB ILE 110 -1.100 -3.492 2.582 836 HG12 ILE 110 1HG1 ILE 110 -1.768 -2.898 -0.208 837 HG13 ILE 110 2HG1 ILE 110 -1.850 -1.482 0.820 838 HG21 ILE 110 1HG2 ILE 110 -2.652 -5.344 2.281 839 HG22 ILE 110 2HG2 ILE 110 -3.222 -4.642 0.748 840 HG23 ILE 110 3HG2 ILE 110 -1.544 -5.218 0.894 841 HD11 ILE 110 1HD1 ILE 110 0.428 -1.665 0.012 842 HD12 ILE 110 2HD1 ILE 110 0.444 -2.101 1.738 843 HD13 ILE 110 3HD1 ILE 110 0.519 -3.375 0.497 844 H LEU 111 H LEU 111 -2.789 -2.865 5.219 845 HA LEU 111 HA LEU 111 -4.381 -5.260 5.422 846 HB2 LEU 111 1HB LEU 111 -2.559 -5.425 6.775 847 HB3 LEU 111 2HB LEU 111 -2.533 -3.716 7.161 848 HG LEU 111 HG LEU 111 -4.741 -4.260 8.481 849 HD11 LEU 111 1HD1 LEU 111 -4.337 -6.639 9.526 850 HD12 LEU 111 2HD1 LEU 111 -5.272 -6.444 8.024 851 HD13 LEU 111 3HD1 LEU 111 -3.571 -6.964 7.953 852 HD21 LEU 111 1HD2 LEU 111 -2.636 -5.381 10.103 853 HD22 LEU 111 2HD2 LEU 111 -2.024 -4.007 9.152 854 HD23 LEU 111 3HD2 LEU 111 -3.437 -3.796 10.214 855 H GLU 112 H GLU 112 -4.739 -1.781 5.761 856 HA GLU 112 HA GLU 112 -7.064 -2.028 7.398 857 HB2 GLU 112 1HB GLU 112 -5.575 0.260 6.096 858 HB3 GLU 112 2HB GLU 112 -7.192 0.531 6.715 859 HG2 GLU 112 1HG GLU 112 -5.782 -0.944 8.730 860 HG3 GLU 112 2HG GLU 112 -4.697 0.320 8.186 861 H SER 113 H SER 113 -6.289 -2.237 4.029 862 HA SER 113 HA SER 113 -8.960 -1.452 3.256 863 HB2 SER 113 1HB SER 113 -8.142 -1.575 0.965 864 HB3 SER 113 2HB SER 113 -6.989 -0.672 1.927 865 HG SER 113 HG SER 113 -6.065 -3.085 2.176 866 H LYS 114 H LYS 114 -7.767 -4.080 4.705 867 HA LYS 114 HA LYS 114 -8.255 -6.222 3.001 868 HB2 LYS 114 1HB LYS 114 -7.343 -5.868 5.580 869 HB3 LYS 114 2HB LYS 114 -8.877 -6.673 5.841 870 HG2 LYS 114 1HG LYS 114 -8.153 -8.643 4.913 871 HG3 LYS 114 2HG LYS 114 -7.306 -7.836 3.609 872 HD2 LYS 114 1HD LYS 114 -5.341 -8.190 4.677 873 HD3 LYS 114 2HD LYS 114 -5.884 -7.175 5.998 874 HE2 LYS 114 1HE LYS 114 -6.532 -8.982 7.318 875 HE3 LYS 114 2HE LYS 114 -6.962 -9.978 5.942 876 HZ1 LYS 114 1HZ LYS 114 -4.609 -10.019 7.351 877 HZ2 LYS 114 2HZ LYS 114 -4.967 -10.872 6.005 878 HZ3 LYS 114 3HZ LYS 114 -4.222 -9.424 5.880 879 HA PRO 115 HA PRO 115 -12.693 -6.041 4.613 880 HB2 PRO 115 1HB PRO 115 -13.544 -3.890 6.068 881 HB3 PRO 115 2HB PRO 115 -12.994 -5.384 6.799 882 HG2 PRO 115 1HG PRO 115 -11.593 -2.788 6.609 883 HG3 PRO 115 2HG PRO 115 -11.263 -4.138 7.677 884 HD2 PRO 115 1HD PRO 115 -9.793 -3.414 5.323 885 HD3 PRO 115 2HD PRO 115 -9.536 -4.828 6.325 886 H GLU 116 H GLU 116 -11.261 -3.036 3.646 887 HA GLU 116 HA GLU 116 -13.287 -1.692 2.607 888 HB2 GLU 116 1HB GLU 116 -10.441 -2.030 1.933 889 HB3 GLU 116 2HB GLU 116 -11.392 -1.546 0.543 890 HG2 GLU 116 1HG GLU 116 -11.981 -0.089 3.094 891 HG3 GLU 116 2HG GLU 116 -10.406 0.217 2.389 892 HA PRO 117 HA PRO 117 -15.132 -4.126 -0.480 893 HB2 PRO 117 1HB PRO 117 -16.475 -2.219 -1.904 894 HB3 PRO 117 2HB PRO 117 -17.071 -2.887 -0.398 895 HG2 PRO 117 1HG PRO 117 -15.851 -0.242 -0.897 896 HG3 PRO 117 2HG PRO 117 -16.822 -0.763 0.465 897 HD2 PRO 117 1HD PRO 117 -13.974 -0.428 0.416 898 HD3 PRO 117 2HD PRO 117 -14.932 -1.060 1.740 899 H GLN 118 H GLN 118 -13.230 -1.391 -1.481 900 HA GLN 118 HA GLN 118 -12.381 -3.040 -3.715 901 HB2 GLN 118 1HB GLN 118 -12.414 -1.077 -5.229 902 HB3 GLN 118 2HB GLN 118 -14.020 -1.460 -4.642 903 HG2 GLN 118 1HG GLN 118 -13.193 0.293 -2.690 904 HG3 GLN 118 2HG GLN 118 -12.306 0.919 -4.066 905 HE21 GLN 118 1HE2 GLN 118 -13.638 1.012 -6.148 906 HE22 GLN 118 2HE2 GLN 118 -15.225 1.697 -6.029 907 H VAL 119 H VAL 119 -10.382 -1.650 -4.829 908 HA VAL 119 HA VAL 119 -8.820 -0.365 -2.753 909 HB VAL 119 HB VAL 119 -7.810 -2.818 -4.201 910 HG11 VAL 119 1HG1 VAL 119 -6.623 -1.042 -2.049 911 HG12 VAL 119 2HG1 VAL 119 -5.975 -2.644 -2.475 912 HG13 VAL 119 3HG1 VAL 119 -5.999 -1.343 -3.688 913 HG21 VAL 119 1HG2 VAL 119 -7.911 -3.929 -1.973 914 HG22 VAL 119 2HG2 VAL 119 -8.798 -2.519 -1.346 915 HG23 VAL 119 3HG2 VAL 119 -9.513 -3.521 -2.631 916 H GLU 120 H GLU 120 -8.373 1.532 -3.759 917 HA GLU 120 HA GLU 120 -7.970 1.462 -6.615 918 HB2 GLU 120 1HB GLU 120 -9.461 3.192 -5.776 919 HB3 GLU 120 2HB GLU 120 -8.266 3.743 -4.618 920 HG2 GLU 120 1HG GLU 120 -6.876 3.887 -7.041 921 HG3 GLU 120 2HG GLU 120 -8.502 4.347 -7.506 922 H LEU 121 H LEU 121 -5.962 1.413 -7.531 923 HA LEU 121 HA LEU 121 -3.708 2.037 -5.762 924 HB2 LEU 121 1HB LEU 121 -3.860 0.300 -8.229 925 HB3 LEU 121 2HB LEU 121 -2.392 0.655 -7.339 926 HG LEU 121 HG LEU 121 -4.690 -1.112 -6.604 927 HD11 LEU 121 1HD1 LEU 121 -2.972 -2.675 -6.033 928 HD12 LEU 121 2HD1 LEU 121 -2.568 -1.965 -7.615 929 HD13 LEU 121 3HD1 LEU 121 -1.713 -1.422 -6.150 930 HD21 LEU 121 1HD2 LEU 121 -2.989 0.406 -4.624 931 HD22 LEU 121 2HD2 LEU 121 -4.762 0.269 -4.698 932 HD23 LEU 121 3HD2 LEU 121 -3.780 -1.138 -4.227 933 H VAL 122 H VAL 122 -1.787 3.073 -6.855 934 HA VAL 122 HA VAL 122 -2.451 4.599 -9.224 935 HB VAL 122 HB VAL 122 -1.566 6.042 -6.732 936 HG11 VAL 122 1HG1 VAL 122 -2.801 7.901 -8.197 937 HG12 VAL 122 2HG1 VAL 122 -1.092 7.473 -8.454 938 HG13 VAL 122 3HG1 VAL 122 -2.349 6.794 -9.516 939 HG21 VAL 122 1HG2 VAL 122 -3.774 4.998 -6.306 940 HG22 VAL 122 2HG2 VAL 122 -3.857 6.774 -6.371 941 HG23 VAL 122 3HG2 VAL 122 -4.416 5.807 -7.756 942 H VAL 123 H VAL 123 -0.777 3.813 -10.440 943 HA VAL 123 HA VAL 123 1.874 3.864 -9.178 944 HB VAL 123 HB VAL 123 2.260 2.400 -11.379 945 HG11 VAL 123 1HG1 VAL 123 1.697 0.369 -9.890 946 HG12 VAL 123 2HG1 VAL 123 2.908 1.531 -9.298 947 HG13 VAL 123 3HG1 VAL 123 1.248 1.572 -8.657 948 HG21 VAL 123 1HG2 VAL 123 -0.036 2.576 -12.190 949 HG22 VAL 123 2HG2 VAL 123 0.336 0.893 -11.745 950 HG23 VAL 123 3HG2 VAL 123 -0.650 1.903 -10.660 951 H SER 124 H SER 124 3.600 4.920 -10.237 952 HA SER 124 HA SER 124 2.698 6.629 -12.423 953 HB2 SER 124 1HB SER 124 3.226 7.840 -10.295 954 HB3 SER 124 2HB SER 124 4.855 7.194 -10.340 955 HG SER 124 HG SER 124 4.584 9.406 -11.239 956 H ARG 125 H ARG 125 3.633 6.119 -14.366 957 HA ARG 125 HA ARG 125 6.112 4.624 -14.240 958 HB2 ARG 125 1HB ARG 125 3.758 4.235 -15.720 959 HB3 ARG 125 2HB ARG 125 4.845 4.939 -16.901 960 HG2 ARG 125 1HG ARG 125 6.446 3.185 -16.664 961 HG3 ARG 125 2HG ARG 125 5.796 2.671 -15.119 962 HD2 ARG 125 1HD ARG 125 3.596 2.389 -16.826 963 HD3 ARG 125 2HD ARG 125 4.937 1.934 -17.857 964 HE ARG 125 HE ARG 125 3.974 0.483 -15.498 965 HH11 ARG 125 2HH2 ARG 125 6.705 0.992 -17.658 966 HH12 ARG 125 1HH2 ARG 125 7.436 -0.537 -17.302 967 HH21 ARG 125 2HH1 ARG 125 4.938 -1.534 -15.027 968 HH22 ARG 125 1HH1 ARG 125 6.424 -1.984 -15.795 969 H SER 126 H SER 126 7.715 5.109 -16.122 970 HA SER 126 HA SER 126 7.876 7.999 -16.346 971 HB2 SER 126 1HB SER 126 10.000 7.600 -15.680 972 HB3 SER 126 2HB SER 126 9.802 5.870 -15.876 973 HG SER 126 HG SER 126 11.255 7.528 -17.403 974 H GLY 127 H GLY 127 7.468 8.959 -18.309 975 HA2 GLY 127 1HA GLY 127 7.277 7.198 -20.661 976 HA3 GLY 127 2HA GLY 127 6.479 8.743 -20.441 977 HA PRO 128 HA PRO 128 10.342 9.424 -22.801 978 HB2 PRO 128 1HB PRO 128 9.255 10.262 -25.164 979 HB3 PRO 128 2HB PRO 128 9.763 8.610 -24.876 980 HG2 PRO 128 1HG PRO 128 7.024 9.718 -24.964 981 HG3 PRO 128 2HG PRO 128 7.538 8.048 -25.103 982 HD2 PRO 128 1HD PRO 128 6.368 9.298 -22.801 983 HD3 PRO 128 2HD PRO 128 6.988 7.662 -22.904 984 H SER 129 H SER 129 11.508 11.296 -22.840 985 HA SER 129 HA SER 129 9.954 13.705 -22.960 986 HB2 SER 129 1HB SER 129 9.815 13.421 -20.599 987 HB3 SER 129 2HB SER 129 11.456 12.818 -20.480 988 HG SER 129 HG SER 129 11.022 15.475 -21.465 989 H SER 130 H SER 130 13.208 12.286 -22.161 990 HA SER 130 HA SER 130 14.333 13.633 -24.387 991 HB2 SER 130 1HB SER 130 16.066 14.867 -23.011 992 HB3 SER 130 2HB SER 130 14.447 15.529 -22.907 993 HG SER 130 HG SER 130 16.020 14.297 -20.927 994 H GLY 131 H GLY 131 14.866 11.439 -24.966 995 HA2 GLY 131 1HA GLY 131 15.917 9.444 -23.489 996 HA3 GLY 131 2HA GLY 131 16.383 9.770 -25.146 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -9.582 -4.796 -23.634 2 HA2 GLY 1 1HA GLY 1 -8.477 -7.087 -22.341 3 HA3 GLY 1 2HA GLY 1 -9.037 -5.905 -21.175 4 H SER 2 H SER 2 -10.702 -7.451 -20.502 5 HA SER 2 HA SER 2 -12.612 -8.288 -22.414 6 HB2 SER 2 1HB SER 2 -12.864 -8.306 -19.376 7 HB3 SER 2 2HB SER 2 -13.762 -9.297 -20.509 8 HG SER 2 HG SER 2 -12.026 -10.510 -19.589 9 H SER 3 H SER 3 -13.886 -6.713 -23.363 10 HA SER 3 HA SER 3 -15.807 -5.440 -21.821 11 HB2 SER 3 1HB SER 3 -15.121 -3.063 -22.147 12 HB3 SER 3 2HB SER 3 -14.025 -3.935 -21.094 13 HG SER 3 HG SER 3 -13.618 -3.005 -23.767 14 H GLY 4 H GLY 4 -17.447 -4.516 -23.189 15 HA2 GLY 4 1HA GLY 4 -17.349 -3.574 -25.693 16 HA3 GLY 4 2HA GLY 4 -17.207 -5.298 -25.973 17 H SER 5 H SER 5 -19.383 -2.719 -25.549 18 HA SER 5 HA SER 5 -21.552 -4.599 -25.459 19 HB2 SER 5 1HB SER 5 -21.432 -2.286 -23.474 20 HB3 SER 5 2HB SER 5 -22.738 -3.443 -23.637 21 HG SER 5 HG SER 5 -20.512 -3.653 -22.121 22 H SER 6 H SER 6 -23.223 -3.910 -26.804 23 HA SER 6 HA SER 6 -22.874 -2.037 -28.645 24 HB2 SER 6 1HB SER 6 -25.027 -3.646 -27.738 25 HB3 SER 6 2HB SER 6 -25.684 -2.025 -27.839 26 HG SER 6 HG SER 6 -24.083 -2.948 -30.016 27 H GLY 7 H GLY 7 -23.873 0.160 -29.008 28 HA2 GLY 7 1HA GLY 7 -23.991 2.328 -28.410 29 HA3 GLY 7 2HA GLY 7 -25.058 1.761 -27.140 30 H HIS 8 H HIS 8 -23.920 3.841 -26.190 31 HA HIS 8 HA HIS 8 -21.832 2.826 -24.458 32 HB2 HIS 8 1HB HIS 8 -21.507 5.137 -26.360 33 HB3 HIS 8 2HB HIS 8 -20.644 5.119 -24.835 34 HD1 HIS 8 1HD HIS 8 -20.859 3.302 -28.144 35 HD2 HIS 8 2HD HIS 8 -18.496 3.311 -24.678 36 HE1 HIS 8 1HE HIS 8 -18.809 1.878 -28.672 37 H SER 9 H SER 9 -24.152 2.894 -23.378 38 HA SER 9 HA SER 9 -24.240 5.457 -22.008 39 HB2 SER 9 1HB SER 9 -26.108 5.612 -23.495 40 HB3 SER 9 2HB SER 9 -26.559 3.938 -23.245 41 HG SER 9 HG SER 9 -26.530 5.379 -20.861 42 H HIS 10 H HIS 10 -22.993 4.324 -20.334 43 HA HIS 10 HA HIS 10 -24.708 3.022 -18.475 44 HB2 HIS 10 1HB HIS 10 -23.193 1.387 -20.289 45 HB3 HIS 10 2HB HIS 10 -22.541 1.190 -18.675 46 HD1 HIS 10 1HD HIS 10 -25.155 -0.062 -20.835 47 HD2 HIS 10 2HD HIS 10 -24.741 0.548 -16.705 48 HE1 HIS 10 1HE HIS 10 -26.946 -1.496 -19.717 49 H SER 11 H SER 11 -23.430 2.506 -16.398 50 HA SER 11 HA SER 11 -21.407 4.579 -16.158 51 HB2 SER 11 1HB SER 11 -22.972 3.172 -13.951 52 HB3 SER 11 2HB SER 11 -21.921 4.559 -13.750 53 HG SER 11 HG SER 11 -23.851 5.014 -15.698 54 H ASP 12 H ASP 12 -19.729 4.001 -14.272 55 HA ASP 12 HA ASP 12 -18.109 2.756 -13.542 56 HB2 ASP 12 1HB ASP 12 -20.113 1.142 -13.029 57 HB3 ASP 12 2HB ASP 12 -19.557 0.229 -14.417 58 H LYS 13 H LYS 13 -17.161 3.718 -15.672 59 HA LYS 13 HA LYS 13 -17.064 2.284 -18.033 60 HB2 LYS 13 1HB LYS 13 -15.655 4.555 -16.811 61 HB3 LYS 13 2HB LYS 13 -14.670 3.658 -17.948 62 HG2 LYS 13 1HG LYS 13 -17.494 4.244 -18.788 63 HG3 LYS 13 2HG LYS 13 -16.400 5.610 -18.715 64 HD2 LYS 13 1HD LYS 13 -14.944 4.706 -20.360 65 HD3 LYS 13 2HD LYS 13 -15.521 3.069 -20.116 66 HE2 LYS 13 1HE LYS 13 -17.761 3.754 -21.071 67 HE3 LYS 13 2HE LYS 13 -17.110 5.350 -21.387 68 HZ1 LYS 13 1HZ LYS 13 -16.667 2.918 -22.795 69 HZ2 LYS 13 2HZ LYS 13 -16.498 4.460 -23.306 70 HZ3 LYS 13 3HZ LYS 13 -15.284 3.731 -22.492 71 H HIS 14 H HIS 14 -13.928 2.722 -16.423 72 HA HIS 14 HA HIS 14 -13.686 -0.189 -16.281 73 HB2 HIS 14 1HB HIS 14 -11.571 1.688 -17.370 74 HB3 HIS 14 2HB HIS 14 -11.431 -0.050 -17.201 75 HD1 HIS 14 1HD HIS 14 -13.129 -1.513 -18.756 76 HD2 HIS 14 2HD HIS 14 -12.684 2.539 -19.748 77 HE1 HIS 14 1HE HIS 14 -14.002 -1.260 -21.140 78 HA PRO 15 HA PRO 15 -12.085 0.684 -12.358 79 HB2 PRO 15 1HB PRO 15 -10.772 -1.647 -11.799 80 HB3 PRO 15 2HB PRO 15 -12.506 -1.460 -11.631 81 HG2 PRO 15 1HG PRO 15 -10.990 -2.876 -13.737 82 HG3 PRO 15 2HG PRO 15 -12.684 -3.029 -13.312 83 HD2 PRO 15 1HD PRO 15 -11.600 -1.620 -15.562 84 HD3 PRO 15 2HD PRO 15 -13.281 -1.676 -15.072 85 H VAL 16 H VAL 16 -9.799 -0.559 -14.700 86 HA VAL 16 HA VAL 16 -7.688 0.859 -13.264 87 HB VAL 16 HB VAL 16 -6.189 -0.534 -14.298 88 HG11 VAL 16 1HG1 VAL 16 -8.234 -2.621 -14.621 89 HG12 VAL 16 2HG1 VAL 16 -6.841 -2.538 -13.516 90 HG13 VAL 16 3HG1 VAL 16 -8.365 -1.720 -13.092 91 HG21 VAL 16 1HG2 VAL 16 -8.226 -1.079 -16.485 92 HG22 VAL 16 2HG2 VAL 16 -6.803 -0.016 -16.609 93 HG23 VAL 16 3HG2 VAL 16 -6.588 -1.770 -16.393 94 H THR 17 H THR 17 -6.380 2.453 -14.311 95 HA THR 17 HA THR 17 -7.178 3.318 -16.959 96 HB THR 17 HB THR 17 -7.343 5.731 -15.682 97 HG1 THR 17 1HG THR 17 -7.197 4.845 -13.565 98 HG21 THR 17 1HG2 THR 17 -9.729 5.597 -15.879 99 HG22 THR 17 2HG2 THR 17 -9.132 4.487 -17.136 100 HG23 THR 17 3HG2 THR 17 -9.733 3.841 -15.590 101 H TRP 18 H TRP 18 -5.395 3.759 -18.082 102 HA TRP 18 HA TRP 18 -3.047 4.604 -16.523 103 HB2 TRP 18 1HB TRP 18 -3.253 2.797 -18.929 104 HB3 TRP 18 2HB TRP 18 -1.750 3.552 -18.437 105 HD1 TRP 18 HD TRP 18 -4.196 0.800 -17.326 106 HE1 TRP 18 1HE TRP 18 -3.128 -0.745 -15.473 107 HE3 TRP 18 3HE TRP 18 -0.047 3.648 -16.597 108 HZ2 TRP 18 2HZ TRP 18 -0.722 -0.607 -13.944 109 HZ3 TRP 18 3HZ TRP 18 1.612 2.872 -14.906 110 HH2 TRP 18 HH TRP 18 1.326 0.824 -13.602 111 H GLN 19 H GLN 19 -2.832 6.788 -16.827 112 HA GLN 19 HA GLN 19 -2.929 7.697 -19.574 113 HB2 GLN 19 1HB GLN 19 -4.433 9.015 -17.272 114 HB3 GLN 19 2HB GLN 19 -4.188 9.763 -18.837 115 HG2 GLN 19 1HG GLN 19 -5.405 6.992 -18.691 116 HG3 GLN 19 2HG GLN 19 -6.407 8.388 -18.352 117 HE21 GLN 19 1HE2 GLN 19 -7.683 8.234 -20.123 118 HE22 GLN 19 2HE2 GLN 19 -7.153 8.512 -21.748 119 HA PRO 20 HA PRO 20 0.582 9.895 -18.283 120 HB2 PRO 20 1HB PRO 20 0.718 11.894 -20.142 121 HB3 PRO 20 2HB PRO 20 1.258 10.257 -20.455 122 HG2 PRO 20 1HG PRO 20 -1.197 11.610 -21.393 123 HG3 PRO 20 2HG PRO 20 -0.435 10.161 -22.019 124 HD2 PRO 20 1HD PRO 20 -2.779 10.291 -20.371 125 HD3 PRO 20 2HD PRO 20 -1.949 8.841 -20.901 126 H SER 21 H SER 21 1.534 11.934 -17.456 127 HA SER 21 HA SER 21 -0.297 13.013 -15.667 128 HB2 SER 21 1HB SER 21 1.527 14.121 -14.767 129 HB3 SER 21 2HB SER 21 2.363 12.881 -15.682 130 HG SER 21 HG SER 21 3.134 15.161 -15.970 131 H LYS 22 H LYS 22 -0.520 15.575 -15.472 132 HA LYS 22 HA LYS 22 -2.180 16.482 -17.388 133 HB2 LYS 22 1HB LYS 22 -0.933 17.510 -15.075 134 HB3 LYS 22 2HB LYS 22 -0.632 18.690 -16.335 135 HG2 LYS 22 1HG LYS 22 -3.400 17.502 -15.877 136 HG3 LYS 22 2HG LYS 22 -2.847 18.917 -15.004 137 HD2 LYS 22 1HD LYS 22 -2.532 20.167 -17.085 138 HD3 LYS 22 2HD LYS 22 -2.831 18.736 -18.050 139 HE2 LYS 22 1HE LYS 22 -4.939 19.724 -16.100 140 HE3 LYS 22 2HE LYS 22 -4.785 20.468 -17.679 141 HZ1 LYS 22 1HZ LYS 22 -5.132 17.582 -17.250 142 HZ2 LYS 22 2HZ LYS 22 -6.341 18.612 -17.630 143 HZ3 LYS 22 3HZ LYS 22 -5.126 18.352 -18.690 144 H ASP 23 H ASP 23 1.369 17.252 -17.205 145 HA ASP 23 HA ASP 23 1.428 18.636 -19.576 146 HB2 ASP 23 1HB ASP 23 3.366 17.348 -17.742 147 HB3 ASP 23 2HB ASP 23 3.936 17.402 -19.398 148 H GLY 24 H GLY 24 2.847 15.326 -18.971 149 HA2 GLY 24 1HA GLY 24 1.787 13.558 -20.447 150 HA3 GLY 24 2HA GLY 24 2.214 14.626 -21.770 151 H ASP 25 H ASP 25 4.055 13.896 -18.735 152 HA ASP 25 HA ASP 25 6.155 12.870 -20.479 153 HB2 ASP 25 1HB ASP 25 6.182 14.705 -18.107 154 HB3 ASP 25 2HB ASP 25 7.490 13.541 -18.186 155 H ARG 26 H ARG 26 4.563 12.764 -17.222 156 HA ARG 26 HA ARG 26 5.762 10.166 -16.794 157 HB2 ARG 26 1HB ARG 26 4.441 12.225 -14.999 158 HB3 ARG 26 2HB ARG 26 4.529 10.560 -14.459 159 HG2 ARG 26 1HG ARG 26 7.063 11.737 -15.557 160 HG3 ARG 26 2HG ARG 26 6.514 12.374 -14.019 161 HD2 ARG 26 1HD ARG 26 6.790 10.330 -12.906 162 HD3 ARG 26 2HD ARG 26 6.509 9.378 -14.350 163 HE ARG 26 HE ARG 26 8.788 9.579 -14.928 164 HH11 ARG 26 2HH2 ARG 26 8.016 11.752 -12.270 165 HH12 ARG 26 1HH2 ARG 26 9.672 12.130 -11.929 166 HH21 ARG 26 2HH1 ARG 26 10.973 10.077 -14.479 167 HH22 ARG 26 1HH1 ARG 26 11.365 11.171 -13.194 168 H LEU 27 H LEU 27 4.409 8.303 -16.218 169 HA LEU 27 HA LEU 27 1.705 8.571 -17.304 170 HB2 LEU 27 1HB LEU 27 3.764 6.775 -17.823 171 HB3 LEU 27 2HB LEU 27 2.665 5.872 -16.799 172 HG LEU 27 HG LEU 27 1.717 5.349 -18.777 173 HD11 LEU 27 1HD1 LEU 27 0.421 8.034 -18.920 174 HD12 LEU 27 2HD1 LEU 27 -0.291 6.405 -19.014 175 HD13 LEU 27 3HD1 LEU 27 0.208 7.069 -17.439 176 HD21 LEU 27 1HD2 LEU 27 1.734 7.288 -20.666 177 HD22 LEU 27 2HD2 LEU 27 3.206 7.708 -19.758 178 HD23 LEU 27 3HD2 LEU 27 3.026 6.081 -20.457 179 H ILE 28 H ILE 28 -0.057 8.390 -16.006 180 HA ILE 28 HA ILE 28 0.481 7.577 -13.237 181 HB ILE 28 HB ILE 28 -1.762 9.320 -14.254 182 HG12 ILE 28 1HG1 ILE 28 0.224 10.528 -14.748 183 HG13 ILE 28 2HG1 ILE 28 -0.436 11.209 -13.274 184 HG21 ILE 28 1HG2 ILE 28 -0.995 9.692 -11.499 185 HG22 ILE 28 2HG2 ILE 28 -2.573 9.245 -12.191 186 HG23 ILE 28 3HG2 ILE 28 -1.378 7.982 -11.811 187 HD11 ILE 28 1HD1 ILE 28 1.780 9.109 -13.359 188 HD12 ILE 28 2HD1 ILE 28 2.041 10.857 -13.147 189 HD13 ILE 28 3HD1 ILE 28 1.163 9.931 -11.906 190 H GLY 29 H GLY 29 0.095 5.391 -13.204 191 HA2 GLY 29 1HA GLY 29 -2.269 4.373 -14.602 192 HA3 GLY 29 2HA GLY 29 -0.958 3.439 -13.910 193 H ARG 30 H ARG 30 -4.160 3.969 -13.547 194 HA ARG 30 HA ARG 30 -3.968 3.770 -10.648 195 HB2 ARG 30 1HB ARG 30 -5.565 5.528 -12.317 196 HB3 ARG 30 2HB ARG 30 -6.651 4.469 -11.439 197 HG2 ARG 30 1HG ARG 30 -5.875 5.211 -9.317 198 HG3 ARG 30 2HG ARG 30 -4.370 5.826 -9.971 199 HD2 ARG 30 1HD ARG 30 -5.391 7.770 -10.866 200 HD3 ARG 30 2HD ARG 30 -6.984 7.041 -10.906 201 HE ARG 30 HE ARG 30 -6.194 7.103 -8.185 202 HH11 ARG 30 2HH2 ARG 30 -6.893 9.400 -10.758 203 HH12 ARG 30 1HH2 ARG 30 -7.423 10.645 -9.677 204 HH21 ARG 30 2HH1 ARG 30 -6.894 8.746 -6.758 205 HH22 ARG 30 1HH1 ARG 30 -7.424 10.270 -7.387 206 H ILE 31 H ILE 31 -4.444 1.712 -9.948 207 HA ILE 31 HA ILE 31 -6.202 0.104 -11.660 208 HB ILE 31 HB ILE 31 -3.946 -0.610 -9.802 209 HG12 ILE 31 1HG1 ILE 31 -3.543 -1.981 -12.102 210 HG13 ILE 31 2HG1 ILE 31 -4.408 -0.596 -12.737 211 HG21 ILE 31 1HG2 ILE 31 -4.555 -3.016 -10.465 212 HG22 ILE 31 2HG2 ILE 31 -5.517 -2.228 -9.192 213 HG23 ILE 31 3HG2 ILE 31 -6.166 -2.362 -10.844 214 HD11 ILE 31 1HD1 ILE 31 -2.348 0.135 -10.737 215 HD12 ILE 31 2HD1 ILE 31 -1.693 -0.658 -12.189 216 HD13 ILE 31 3HD1 ILE 31 -2.665 0.825 -12.347 217 H LEU 32 H LEU 32 -8.073 -0.795 -10.830 218 HA LEU 32 HA LEU 32 -8.570 -0.286 -7.985 219 HB2 LEU 32 1HB LEU 32 -9.673 1.460 -9.207 220 HB3 LEU 32 2HB LEU 32 -10.391 0.310 -10.316 221 HG LEU 32 HG LEU 32 -11.839 1.334 -8.433 222 HD11 LEU 32 1HD1 LEU 32 -11.808 -1.653 -8.947 223 HD12 LEU 32 2HD1 LEU 32 -13.166 -0.739 -8.247 224 HD13 LEU 32 3HD1 LEU 32 -12.636 -0.409 -9.914 225 HD21 LEU 32 1HD2 LEU 32 -9.915 0.451 -6.767 226 HD22 LEU 32 2HD2 LEU 32 -11.610 0.691 -6.281 227 HD23 LEU 32 3HD2 LEU 32 -11.029 -0.936 -6.707 228 H LEU 33 H LEU 33 -9.451 -1.991 -6.870 229 HA LEU 33 HA LEU 33 -10.226 -4.300 -8.515 230 HB2 LEU 33 1HB LEU 33 -8.830 -4.349 -5.837 231 HB3 LEU 33 2HB LEU 33 -9.302 -5.739 -6.795 232 HG LEU 33 HG LEU 33 -7.064 -5.607 -7.277 233 HD11 LEU 33 1HD1 LEU 33 -6.896 -5.207 -9.522 234 HD12 LEU 33 2HD1 LEU 33 -8.667 -5.219 -9.342 235 HD13 LEU 33 3HD1 LEU 33 -7.793 -3.672 -9.435 236 HD21 LEU 33 1HD2 LEU 33 -5.769 -3.548 -7.551 237 HD22 LEU 33 2HD2 LEU 33 -7.244 -2.582 -7.310 238 HD23 LEU 33 3HD2 LEU 33 -6.612 -3.587 -5.984 239 H ASN 34 H ASN 34 -12.043 -5.510 -7.823 240 HA ASN 34 HA ASN 34 -13.597 -4.094 -5.803 241 HB2 ASN 34 1HB ASN 34 -14.582 -4.026 -8.109 242 HB3 ASN 34 2HB ASN 34 -14.552 -5.777 -8.181 243 HD21 ASN 34 1HD2 ASN 34 -16.244 -6.872 -7.506 244 HD22 ASN 34 2HD2 ASN 34 -17.568 -6.265 -6.567 245 H LYS 35 H LYS 35 -14.432 -5.370 -4.080 246 HA LYS 35 HA LYS 35 -13.749 -8.223 -4.206 247 HB2 LYS 35 1HB LYS 35 -14.148 -6.719 -1.633 248 HB3 LYS 35 2HB LYS 35 -13.244 -8.190 -1.931 249 HG2 LYS 35 1HG LYS 35 -11.523 -6.943 -3.178 250 HG3 LYS 35 2HG LYS 35 -12.459 -5.466 -3.067 251 HD2 LYS 35 1HD LYS 35 -11.516 -4.997 -1.062 252 HD3 LYS 35 2HD LYS 35 -12.169 -6.479 -0.392 253 HE2 LYS 35 1HE LYS 35 -10.078 -7.348 -0.284 254 HE3 LYS 35 2HE LYS 35 -9.950 -7.252 -2.029 255 HZ1 LYS 35 1HZ LYS 35 -9.581 -4.771 -0.625 256 HZ2 LYS 35 2HZ LYS 35 -8.416 -5.889 -0.385 257 HZ3 LYS 35 3HZ LYS 35 -8.760 -5.381 -1.898 258 H ARG 36 H ARG 36 -16.267 -5.835 -4.039 259 HA ARG 36 HA ARG 36 -18.143 -7.316 -2.634 260 HB2 ARG 36 1HB ARG 36 -18.176 -4.968 -4.511 261 HB3 ARG 36 2HB ARG 36 -19.706 -5.790 -4.280 262 HG2 ARG 36 1HG ARG 36 -19.655 -5.421 -1.885 263 HG3 ARG 36 2HG ARG 36 -17.978 -4.914 -1.928 264 HD2 ARG 36 1HD ARG 36 -19.162 -2.862 -1.792 265 HD3 ARG 36 2HD ARG 36 -18.779 -2.989 -3.497 266 HE ARG 36 HE ARG 36 -21.448 -3.286 -2.267 267 HH11 ARG 36 2HH2 ARG 36 -19.473 -3.683 -5.151 268 HH12 ARG 36 1HH2 ARG 36 -20.828 -3.717 -6.230 269 HH21 ARG 36 2HH1 ARG 36 -23.236 -3.331 -3.689 270 HH22 ARG 36 1HH1 ARG 36 -22.983 -3.515 -5.392 271 H LEU 37 H LEU 37 -19.060 -9.257 -3.220 272 HA LEU 37 HA LEU 37 -18.748 -10.276 -5.840 273 HB2 LEU 37 1HB LEU 37 -20.601 -11.330 -3.714 274 HB3 LEU 37 2HB LEU 37 -19.837 -12.209 -5.023 275 HG LEU 37 HG LEU 37 -17.908 -10.925 -3.217 276 HD11 LEU 37 1HD1 LEU 37 -19.864 -12.958 -2.126 277 HD12 LEU 37 2HD1 LEU 37 -18.261 -12.655 -1.413 278 HD13 LEU 37 3HD1 LEU 37 -19.467 -11.348 -1.479 279 HD21 LEU 37 1HD2 LEU 37 -18.180 -13.305 -4.869 280 HD22 LEU 37 2HD2 LEU 37 -16.720 -12.448 -4.320 281 HD23 LEU 37 3HD2 LEU 37 -17.479 -13.672 -3.274 282 H LYS 38 H LYS 38 -21.621 -11.475 -5.646 283 HA LYS 38 HA LYS 38 -22.756 -9.577 -7.439 284 HB2 LYS 38 1HB LYS 38 -22.976 -12.302 -7.026 285 HB3 LYS 38 2HB LYS 38 -24.512 -11.705 -6.430 286 HG2 LYS 38 1HG LYS 38 -25.198 -11.597 -8.591 287 HG3 LYS 38 2HG LYS 38 -24.124 -10.226 -8.785 288 HD2 LYS 38 1HD LYS 38 -22.381 -12.405 -8.997 289 HD3 LYS 38 2HD LYS 38 -23.832 -12.997 -9.781 290 HE2 LYS 38 1HE LYS 38 -23.459 -11.697 -11.607 291 HE3 LYS 38 2HE LYS 38 -23.340 -10.253 -10.621 292 HZ1 LYS 38 1HZ LYS 38 -21.210 -10.300 -11.141 293 HZ2 LYS 38 2HZ LYS 38 -21.033 -11.577 -10.139 294 HZ3 LYS 38 3HZ LYS 38 -21.268 -11.819 -11.736 295 H ASP 39 H ASP 39 -23.497 -10.726 -4.086 296 HA ASP 39 HA ASP 39 -25.753 -9.278 -3.690 297 HB2 ASP 39 1HB ASP 39 -23.512 -9.727 -1.662 298 HB3 ASP 39 2HB ASP 39 -25.185 -9.380 -1.271 299 H GLY 40 H GLY 40 -22.276 -8.338 -3.346 300 HA2 GLY 40 1HA GLY 40 -21.453 -6.206 -3.774 301 HA3 GLY 40 2HA GLY 40 -23.044 -5.518 -3.514 302 H SER 41 H SER 41 -21.163 -7.828 -1.446 303 HA SER 41 HA SER 41 -20.882 -5.701 0.498 304 HB2 SER 41 1HB SER 41 -22.213 -8.392 1.013 305 HB3 SER 41 2HB SER 41 -21.592 -7.386 2.306 306 HG SER 41 HG SER 41 -23.858 -6.999 1.942 307 H VAL 42 H VAL 42 -19.500 -8.007 -1.415 308 HA VAL 42 HA VAL 42 -17.669 -9.262 -1.365 309 HB VAL 42 HB VAL 42 -16.672 -7.088 -1.339 310 HG11 VAL 42 1HG1 VAL 42 -16.983 -7.202 1.678 311 HG12 VAL 42 2HG1 VAL 42 -16.001 -5.994 0.814 312 HG13 VAL 42 3HG1 VAL 42 -17.760 -6.065 0.550 313 HG21 VAL 42 1HG2 VAL 42 -14.545 -7.607 0.039 314 HG22 VAL 42 2HG2 VAL 42 -15.348 -9.146 0.429 315 HG23 VAL 42 3HG2 VAL 42 -15.001 -8.728 -1.266 316 HA PRO 43 HA PRO 43 -17.873 -11.900 2.058 317 HB2 PRO 43 1HB PRO 43 -15.830 -13.617 1.471 318 HB3 PRO 43 2HB PRO 43 -17.422 -13.739 0.749 319 HG2 PRO 43 1HG PRO 43 -14.913 -12.739 -0.454 320 HG3 PRO 43 2HG PRO 43 -16.381 -13.264 -1.254 321 HD2 PRO 43 1HD PRO 43 -15.519 -10.558 -0.852 322 HD3 PRO 43 2HD PRO 43 -17.040 -11.081 -1.548 323 H ARG 44 H ARG 44 -16.691 -12.820 3.959 324 HA ARG 44 HA ARG 44 -15.653 -10.919 5.430 325 HB2 ARG 44 1HB ARG 44 -15.086 -13.880 5.292 326 HB3 ARG 44 2HB ARG 44 -14.094 -12.924 6.375 327 HG2 ARG 44 1HG ARG 44 -15.767 -13.026 7.901 328 HG3 ARG 44 2HG ARG 44 -16.730 -12.010 6.848 329 HD2 ARG 44 1HD ARG 44 -16.730 -14.803 5.922 330 HD3 ARG 44 2HD ARG 44 -17.289 -14.682 7.579 331 HE ARG 44 HE ARG 44 -18.576 -12.612 6.125 332 HH11 ARG 44 2HH2 ARG 44 -18.508 -16.130 6.187 333 HH12 ARG 44 1HH2 ARG 44 -20.130 -16.299 5.602 334 HH21 ARG 44 2HH1 ARG 44 -20.715 -12.834 5.353 335 HH22 ARG 44 1HH1 ARG 44 -21.393 -14.412 5.124 336 H ASP 45 H ASP 45 -13.711 -13.061 3.228 337 HA ASP 45 HA ASP 45 -11.829 -10.908 2.949 338 HB2 ASP 45 1HB ASP 45 -9.883 -12.446 3.363 339 HB3 ASP 45 2HB ASP 45 -10.831 -12.129 4.802 340 H SER 46 H SER 46 -11.783 -10.762 0.698 341 HA SER 46 HA SER 46 -11.734 -13.298 -0.745 342 HB2 SER 46 1HB SER 46 -13.662 -11.275 -0.925 343 HB3 SER 46 2HB SER 46 -12.626 -10.956 -2.301 344 HG SER 46 HG SER 46 -12.900 -13.527 -2.481 345 H GLY 47 H GLY 47 -9.342 -12.244 0.217 346 HA2 GLY 47 1HA GLY 47 -7.267 -12.068 -0.779 347 HA3 GLY 47 2HA GLY 47 -8.005 -11.529 -2.274 348 H ALA 48 H ALA 48 -7.837 -10.439 1.198 349 HA ALA 48 HA ALA 48 -8.293 -7.769 0.726 350 HB1 ALA 48 1HB ALA 48 -6.449 -7.949 2.863 351 HB2 ALA 48 2HB ALA 48 -8.226 -7.940 2.967 352 HB3 ALA 48 3HB ALA 48 -7.349 -9.485 2.869 353 H MET 49 H MET 49 -5.360 -9.738 0.266 354 HA MET 49 HA MET 49 -3.741 -7.410 -0.103 355 HB2 MET 49 1HB MET 49 -3.398 -10.290 0.282 356 HB3 MET 49 2HB MET 49 -2.464 -9.786 -1.113 357 HG2 MET 49 1HG MET 49 -2.169 -7.865 1.087 358 HG3 MET 49 2HG MET 49 -1.741 -9.482 1.610 359 HE1 MET 49 1HE MET 49 0.671 -6.693 -0.928 360 HE2 MET 49 2HE MET 49 -1.096 -6.710 -1.145 361 HE3 MET 49 3HE MET 49 -0.400 -6.415 0.466 362 H LEU 50 H LEU 50 -6.162 -8.597 -1.929 363 HA LEU 50 HA LEU 50 -6.732 -8.376 -4.052 364 HB2 LEU 50 1HB LEU 50 -4.132 -6.855 -4.252 365 HB3 LEU 50 2HB LEU 50 -5.273 -7.011 -5.574 366 HG LEU 50 HG LEU 50 -5.540 -4.871 -4.476 367 HD11 LEU 50 1HD1 LEU 50 -7.531 -6.042 -5.409 368 HD12 LEU 50 2HD1 LEU 50 -7.902 -6.629 -3.770 369 HD13 LEU 50 3HD1 LEU 50 -7.913 -4.883 -4.113 370 HD21 LEU 50 1HD2 LEU 50 -6.515 -6.090 -1.929 371 HD22 LEU 50 2HD2 LEU 50 -4.760 -5.956 -2.193 372 HD23 LEU 50 3HD2 LEU 50 -5.780 -4.498 -2.235 373 H GLY 51 H GLY 51 -3.148 -8.999 -4.007 374 HA2 GLY 51 1HA GLY 51 -3.011 -11.608 -4.493 375 HA3 GLY 51 2HA GLY 51 -3.490 -11.022 -6.073 376 H LEU 52 H LEU 52 -2.029 -8.341 -5.369 377 HA LEU 52 HA LEU 52 0.581 -9.313 -6.243 378 HB2 LEU 52 1HB LEU 52 0.862 -7.344 -7.345 379 HB3 LEU 52 2HB LEU 52 -0.874 -7.555 -7.468 380 HG LEU 52 HG LEU 52 -0.442 -5.263 -6.982 381 HD11 LEU 52 1HD1 LEU 52 -2.373 -6.329 -5.838 382 HD12 LEU 52 2HD1 LEU 52 -1.354 -6.548 -4.395 383 HD13 LEU 52 3HD1 LEU 52 -1.729 -4.909 -4.979 384 HD21 LEU 52 1HD2 LEU 52 1.191 -4.464 -5.681 385 HD22 LEU 52 2HD2 LEU 52 0.797 -5.566 -4.341 386 HD23 LEU 52 3HD2 LEU 52 1.819 -6.130 -5.685 387 H LYS 53 H LYS 53 2.546 -8.246 -5.324 388 HA LYS 53 HA LYS 53 2.087 -7.644 -2.485 389 HB2 LYS 53 1HB LYS 53 3.451 -9.784 -3.485 390 HB3 LYS 53 2HB LYS 53 4.752 -8.622 -3.323 391 HG2 LYS 53 1HG LYS 53 3.190 -8.364 -0.950 392 HG3 LYS 53 2HG LYS 53 3.334 -10.086 -1.237 393 HD2 LYS 53 1HD LYS 53 5.512 -10.084 -0.596 394 HD3 LYS 53 2HD LYS 53 5.903 -8.812 -1.736 395 HE2 LYS 53 1HE LYS 53 6.388 -7.745 0.291 396 HE3 LYS 53 2HE LYS 53 4.736 -7.220 0.035 397 HZ1 LYS 53 1HZ LYS 53 5.066 -9.720 1.429 398 HZ2 LYS 53 2HZ LYS 53 5.540 -8.383 2.239 399 HZ3 LYS 53 3HZ LYS 53 4.004 -8.508 1.698 400 H VAL 54 H VAL 54 3.231 -5.900 -1.547 401 HA VAL 54 HA VAL 54 4.792 -4.283 -3.419 402 HB VAL 54 HB VAL 54 2.461 -3.353 -1.734 403 HG11 VAL 54 1HG1 VAL 54 4.795 -1.889 -2.831 404 HG12 VAL 54 2HG1 VAL 54 3.204 -1.151 -3.137 405 HG13 VAL 54 3HG1 VAL 54 3.721 -1.490 -1.468 406 HG21 VAL 54 1HG2 VAL 54 2.205 -2.407 -4.350 407 HG22 VAL 54 2HG2 VAL 54 2.779 -4.081 -4.536 408 HG23 VAL 54 3HG2 VAL 54 1.300 -3.747 -3.604 409 H VAL 55 H VAL 55 6.567 -3.273 -2.484 410 HA VAL 55 HA VAL 55 6.888 -3.801 0.390 411 HB VAL 55 HB VAL 55 8.785 -3.915 -1.936 412 HG11 VAL 55 1HG1 VAL 55 10.597 -4.200 -0.122 413 HG12 VAL 55 2HG1 VAL 55 10.053 -2.550 -0.508 414 HG13 VAL 55 3HG1 VAL 55 9.455 -3.364 0.957 415 HG21 VAL 55 1HG2 VAL 55 7.415 -5.888 -0.784 416 HG22 VAL 55 2HG2 VAL 55 9.076 -6.118 -1.380 417 HG23 VAL 55 3HG2 VAL 55 8.783 -5.838 0.353 418 H GLY 56 H GLY 56 6.611 -1.971 1.553 419 HA2 GLY 56 1HA GLY 56 7.192 0.602 0.272 420 HA3 GLY 56 2HA GLY 56 6.248 0.329 1.723 421 H GLY 57 H GLY 57 7.819 2.231 2.334 422 HA2 GLY 57 1HA GLY 57 9.460 2.913 3.711 423 HA3 GLY 57 2HA GLY 57 9.674 1.247 4.209 424 H LYS 58 H LYS 58 9.900 1.530 0.790 425 HA LYS 58 HA LYS 58 12.636 0.836 0.825 426 HB2 LYS 58 1HB LYS 58 11.093 -0.001 -0.867 427 HB3 LYS 58 2HB LYS 58 10.784 1.625 -1.443 428 HG2 LYS 58 1HG LYS 58 12.507 1.308 -2.893 429 HG3 LYS 58 2HG LYS 58 13.575 1.479 -1.514 430 HD2 LYS 58 1HD LYS 58 12.349 -1.182 -2.377 431 HD3 LYS 58 2HD LYS 58 13.934 -0.637 -2.889 432 HE2 LYS 58 1HE LYS 58 13.991 -0.285 -0.096 433 HE3 LYS 58 2HE LYS 58 13.099 -1.780 -0.302 434 HZ1 LYS 58 1HZ LYS 58 14.866 -2.726 -1.446 435 HZ2 LYS 58 2HZ LYS 58 15.614 -1.300 -1.720 436 HZ3 LYS 58 3HZ LYS 58 15.586 -1.931 -0.214 437 H MET 59 H MET 59 14.452 2.074 0.738 438 HA MET 59 HA MET 59 14.008 4.924 0.752 439 HB2 MET 59 1HB MET 59 15.546 3.402 2.346 440 HB3 MET 59 2HB MET 59 16.715 3.572 1.052 441 HG2 MET 59 1HG MET 59 17.307 5.518 2.100 442 HG3 MET 59 2HG MET 59 15.878 6.192 1.342 443 HE1 MET 59 1HE MET 59 15.565 7.861 2.665 444 HE2 MET 59 2HE MET 59 13.949 7.470 3.301 445 HE3 MET 59 3HE MET 59 15.257 7.932 4.417 446 H THR 60 H THR 60 14.380 6.215 -1.003 447 HA THR 60 HA THR 60 15.710 4.982 -3.299 448 HB THR 60 HB THR 60 14.483 6.617 -4.582 449 HG1 THR 60 1HG THR 60 13.840 7.808 -1.985 450 HG21 THR 60 1HG2 THR 60 12.905 4.949 -3.598 451 HG22 THR 60 2HG2 THR 60 12.772 5.946 -2.130 452 HG23 THR 60 3HG2 THR 60 12.147 6.558 -3.680 453 H GLU 61 H GLU 61 16.498 7.376 -4.611 454 HA GLU 61 HA GLU 61 18.923 7.794 -3.134 455 HB2 GLU 61 1HB GLU 61 19.349 7.397 -5.415 456 HB3 GLU 61 2HB GLU 61 17.985 8.360 -5.949 457 HG2 GLU 61 1HG GLU 61 19.135 10.375 -5.746 458 HG3 GLU 61 2HG GLU 61 20.125 9.807 -4.416 459 H SER 62 H SER 62 15.915 9.472 -3.941 460 HA SER 62 HA SER 62 16.908 12.052 -3.406 461 HB2 SER 62 1HB SER 62 14.627 12.775 -3.636 462 HB3 SER 62 2HB SER 62 14.861 11.485 -4.799 463 HG SER 62 HG SER 62 13.990 10.040 -2.979 464 H GLY 63 H GLY 63 15.822 9.340 -1.471 465 HA2 GLY 63 1HA GLY 63 16.354 9.290 0.837 466 HA3 GLY 63 2HA GLY 63 16.044 11.011 0.946 467 H ARG 64 H ARG 64 13.603 10.363 -1.012 468 HA ARG 64 HA ARG 64 11.771 10.163 1.142 469 HB2 ARG 64 1HB ARG 64 11.412 10.338 -1.889 470 HB3 ARG 64 2HB ARG 64 10.057 10.284 -0.779 471 HG2 ARG 64 1HG ARG 64 11.104 12.313 0.415 472 HG3 ARG 64 2HG ARG 64 12.229 12.421 -0.924 473 HD2 ARG 64 1HD ARG 64 9.798 12.226 -2.257 474 HD3 ARG 64 2HD ARG 64 9.342 13.126 -0.824 475 HE ARG 64 HE ARG 64 10.607 14.953 -1.583 476 HH11 ARG 64 2HH2 ARG 64 11.476 12.081 -3.421 477 HH12 ARG 64 1HH2 ARG 64 12.439 12.951 -4.568 478 HH21 ARG 64 2HH1 ARG 64 11.877 16.101 -3.096 479 HH22 ARG 64 1HH1 ARG 64 12.669 15.253 -4.382 480 H LEU 65 H LEU 65 10.263 8.439 1.545 481 HA LEU 65 HA LEU 65 11.155 5.886 0.493 482 HB2 LEU 65 1HB LEU 65 9.201 6.581 2.690 483 HB3 LEU 65 2HB LEU 65 9.698 4.959 2.250 484 HG LEU 65 HG LEU 65 11.721 7.029 3.098 485 HD11 LEU 65 1HD1 LEU 65 9.636 6.346 4.734 486 HD12 LEU 65 2HD1 LEU 65 10.865 5.137 5.179 487 HD13 LEU 65 3HD1 LEU 65 11.246 6.873 5.281 488 HD21 LEU 65 1HD2 LEU 65 11.793 4.249 2.322 489 HD22 LEU 65 2HD2 LEU 65 13.131 5.380 2.636 490 HD23 LEU 65 3HD2 LEU 65 12.415 4.454 3.977 491 H CYS 66 H CYS 66 9.740 4.372 -0.542 492 HA CYS 66 HA CYS 66 7.111 5.286 -1.250 493 HB2 CYS 66 1HB CYS 66 9.127 6.049 -2.973 494 HB3 CYS 66 2HB CYS 66 8.592 4.539 -3.685 495 HG CYS 66 HG CYS 66 6.172 5.074 -4.041 496 H ALA 67 H ALA 67 5.986 3.466 -2.557 497 HA ALA 67 HA ALA 67 7.128 0.896 -1.701 498 HB1 ALA 67 1HB ALA 67 4.291 0.894 -2.410 499 HB2 ALA 67 2HB ALA 67 5.087 0.373 -0.905 500 HB3 ALA 67 3HB ALA 67 4.654 2.084 -1.138 501 H PHE 68 H PHE 68 7.177 -0.845 -3.190 502 HA PHE 68 HA PHE 68 6.332 -0.211 -5.909 503 HB2 PHE 68 1HB PHE 68 9.049 -1.393 -5.086 504 HB3 PHE 68 2HB PHE 68 8.568 -0.973 -6.717 505 HD1 PHE 68 1HD PHE 68 9.670 0.342 -3.484 506 HD2 PHE 68 2HD PHE 68 8.569 1.336 -7.460 507 HE1 PHE 68 1HE PHE 68 10.651 2.633 -3.183 508 HE2 PHE 68 2HE PHE 68 9.550 3.626 -7.159 509 HZ PHE 68 HZ PHE 68 10.579 4.247 -5.025 510 H ILE 69 H ILE 69 5.909 -2.085 -7.225 511 HA ILE 69 HA ILE 69 4.997 -4.299 -5.716 512 HB ILE 69 HB ILE 69 5.246 -3.823 -8.687 513 HG12 ILE 69 1HG1 ILE 69 2.822 -3.652 -6.874 514 HG13 ILE 69 2HG1 ILE 69 3.760 -2.270 -7.404 515 HG21 ILE 69 1HG2 ILE 69 3.406 -5.876 -7.529 516 HG22 ILE 69 2HG2 ILE 69 4.159 -5.786 -9.139 517 HG23 ILE 69 3HG2 ILE 69 5.127 -6.280 -7.729 518 HD11 ILE 69 1HD1 ILE 69 1.595 -3.269 -8.764 519 HD12 ILE 69 2HD1 ILE 69 2.896 -2.325 -9.527 520 HD13 ILE 69 3HD1 ILE 69 2.927 -4.103 -9.598 521 H THR 70 H THR 70 5.831 -6.385 -5.503 522 HA THR 70 HA THR 70 8.596 -6.691 -6.480 523 HB THR 70 HB THR 70 8.866 -8.096 -4.369 524 HG1 THR 70 1HG THR 70 6.776 -8.572 -3.709 525 HG21 THR 70 1HG2 THR 70 8.725 -5.236 -4.553 526 HG22 THR 70 2HG2 THR 70 7.878 -5.696 -3.056 527 HG23 THR 70 3HG2 THR 70 9.567 -6.197 -3.313 528 H LYS 71 H LYS 71 5.375 -8.145 -6.028 529 HA LYS 71 HA LYS 71 5.937 -9.962 -8.154 530 HB2 LYS 71 1HB LYS 71 7.029 -11.202 -6.374 531 HB3 LYS 71 2HB LYS 71 5.616 -11.061 -5.347 532 HG2 LYS 71 1HG LYS 71 4.600 -12.828 -6.353 533 HG3 LYS 71 2HG LYS 71 4.857 -12.153 -7.950 534 HD2 LYS 71 1HD LYS 71 7.300 -13.253 -6.621 535 HD3 LYS 71 2HD LYS 71 6.077 -14.438 -7.036 536 HE2 LYS 71 1HE LYS 71 6.040 -13.458 -9.396 537 HE3 LYS 71 2HE LYS 71 7.401 -12.451 -8.942 538 HZ1 LYS 71 1HZ LYS 71 7.312 -15.373 -9.083 539 HZ2 LYS 71 2HZ LYS 71 8.299 -14.353 -9.890 540 HZ3 LYS 71 3HZ LYS 71 8.505 -14.592 -8.288 541 H VAL 72 H VAL 72 4.019 -10.707 -9.117 542 HA VAL 72 HA VAL 72 1.546 -10.017 -7.719 543 HB VAL 72 HB VAL 72 1.636 -8.132 -8.994 544 HG11 VAL 72 1HG1 VAL 72 3.533 -8.007 -10.216 545 HG12 VAL 72 2HG1 VAL 72 3.459 -9.717 -10.703 546 HG13 VAL 72 3HG1 VAL 72 2.476 -8.505 -11.559 547 HG21 VAL 72 1HG2 VAL 72 -0.353 -9.547 -9.625 548 HG22 VAL 72 2HG2 VAL 72 0.116 -8.328 -10.835 549 HG23 VAL 72 3HG2 VAL 72 0.542 -10.038 -11.084 550 H LYS 73 H LYS 73 0.475 -11.911 -7.524 551 HA LYS 73 HA LYS 73 1.097 -14.196 -8.950 552 HB2 LYS 73 1HB LYS 73 -0.120 -14.009 -6.750 553 HB3 LYS 73 2HB LYS 73 -1.558 -13.552 -7.640 554 HG2 LYS 73 1HG LYS 73 -1.777 -15.904 -7.362 555 HG3 LYS 73 2HG LYS 73 -1.225 -15.722 -9.016 556 HD2 LYS 73 1HD LYS 73 0.159 -17.443 -8.127 557 HD3 LYS 73 2HD LYS 73 1.179 -16.018 -8.099 558 HE2 LYS 73 1HE LYS 73 0.844 -15.698 -5.725 559 HE3 LYS 73 2HE LYS 73 -0.490 -16.835 -5.684 560 HZ1 LYS 73 1HZ LYS 73 1.904 -17.979 -6.704 561 HZ2 LYS 73 2HZ LYS 73 2.076 -17.430 -5.176 562 HZ3 LYS 73 3HZ LYS 73 0.913 -18.522 -5.525 563 H LYS 74 H LYS 74 0.040 -15.316 -10.682 564 HA LYS 74 HA LYS 74 -1.179 -13.447 -12.559 565 HB2 LYS 74 1HB LYS 74 0.622 -14.505 -13.581 566 HB3 LYS 74 2HB LYS 74 0.307 -16.046 -12.809 567 HG2 LYS 74 1HG LYS 74 -1.975 -15.173 -14.451 568 HG3 LYS 74 2HG LYS 74 -0.503 -15.271 -15.396 569 HD2 LYS 74 1HD LYS 74 -0.582 -17.589 -13.687 570 HD3 LYS 74 2HD LYS 74 -2.162 -17.431 -14.428 571 HE2 LYS 74 1HE LYS 74 0.354 -17.174 -16.112 572 HE3 LYS 74 2HE LYS 74 -0.285 -18.756 -15.710 573 HZ1 LYS 74 1HZ LYS 74 -2.474 -17.698 -16.549 574 HZ2 LYS 74 2HZ LYS 74 -1.479 -16.676 -17.344 575 HZ3 LYS 74 3HZ LYS 74 -1.387 -18.283 -17.618 576 H GLY 75 H GLY 75 -3.353 -13.280 -12.435 577 HA2 GLY 75 1HA GLY 75 -5.386 -14.429 -13.062 578 HA3 GLY 75 2HA GLY 75 -4.870 -15.796 -12.094 579 H SER 76 H SER 76 -4.171 -12.561 -10.872 580 HA SER 76 HA SER 76 -6.380 -12.912 -8.998 581 HB2 SER 76 1HB SER 76 -3.522 -12.503 -8.561 582 HB3 SER 76 2HB SER 76 -4.439 -11.210 -7.816 583 HG SER 76 HG SER 76 -4.277 -12.892 -6.302 584 H LEU 77 H LEU 77 -7.038 -10.703 -7.947 585 HA LEU 77 HA LEU 77 -8.064 -9.035 -9.797 586 HB2 LEU 77 1HB LEU 77 -7.239 -8.619 -6.943 587 HB3 LEU 77 2HB LEU 77 -7.920 -7.297 -7.870 588 HG LEU 77 HG LEU 77 -9.684 -8.279 -6.618 589 HD11 LEU 77 1HD1 LEU 77 -10.516 -9.630 -9.060 590 HD12 LEU 77 2HD1 LEU 77 -11.156 -8.161 -8.284 591 HD13 LEU 77 3HD1 LEU 77 -9.761 -8.051 -9.384 592 HD21 LEU 77 1HD2 LEU 77 -10.266 -10.611 -6.611 593 HD22 LEU 77 2HD2 LEU 77 -9.013 -10.976 -7.822 594 HD23 LEU 77 3HD2 LEU 77 -8.545 -10.449 -6.187 595 H ALA 78 H ALA 78 -4.991 -8.381 -7.962 596 HA ALA 78 HA ALA 78 -4.329 -6.235 -9.720 597 HB1 ALA 78 1HB ALA 78 -2.156 -6.346 -8.402 598 HB2 ALA 78 2HB ALA 78 -3.628 -6.116 -7.427 599 HB3 ALA 78 3HB ALA 78 -2.858 -7.719 -7.512 600 H ASP 79 H ASP 79 -4.830 -8.046 -11.553 601 HA ASP 79 HA ASP 79 -2.428 -8.360 -12.863 602 HB2 ASP 79 1HB ASP 79 -2.245 -10.223 -11.082 603 HB3 ASP 79 2HB ASP 79 -3.571 -11.019 -11.905 604 H THR 80 H THR 80 -5.606 -10.027 -12.241 605 HA THR 80 HA THR 80 -6.069 -10.481 -15.036 606 HB THR 80 HB THR 80 -8.266 -11.343 -14.114 607 HG1 THR 80 1HG THR 80 -8.193 -11.247 -11.639 608 HG21 THR 80 1HG2 THR 80 -6.322 -12.902 -14.026 609 HG22 THR 80 2HG2 THR 80 -5.793 -12.159 -12.497 610 HG23 THR 80 3HG2 THR 80 -7.319 -13.073 -12.562 611 H VAL 81 H VAL 81 -6.947 -8.010 -12.622 612 HA VAL 81 HA VAL 81 -8.405 -6.633 -14.771 613 HB VAL 81 HB VAL 81 -9.504 -5.428 -12.830 614 HG11 VAL 81 1HG1 VAL 81 -10.325 -8.256 -12.538 615 HG12 VAL 81 2HG1 VAL 81 -11.267 -6.828 -13.032 616 HG13 VAL 81 3HG1 VAL 81 -10.228 -7.662 -14.214 617 HG21 VAL 81 1HG2 VAL 81 -9.530 -6.538 -10.659 618 HG22 VAL 81 2HG2 VAL 81 -8.401 -7.779 -11.254 619 HG23 VAL 81 3HG2 VAL 81 -7.865 -6.088 -11.099 620 H GLY 82 H GLY 82 -6.010 -6.422 -12.107 621 HA2 GLY 82 1HA GLY 82 -5.452 -3.637 -12.614 622 HA3 GLY 82 2HA GLY 82 -4.634 -4.712 -11.499 623 H HIS 83 H HIS 83 -4.173 -6.845 -13.565 624 HA HIS 83 HA HIS 83 -2.449 -7.449 -14.800 625 HB2 HIS 83 1HB HIS 83 -3.194 -4.943 -16.335 626 HB3 HIS 83 2HB HIS 83 -2.216 -6.259 -16.955 627 HD1 HIS 83 1HD HIS 83 -3.448 -8.575 -17.397 628 HD2 HIS 83 2HD HIS 83 -5.957 -5.375 -16.369 629 HE1 HIS 83 1HE HIS 83 -5.818 -9.302 -18.002 630 H LEU 84 H LEU 84 -1.755 -5.932 -12.435 631 HA LEU 84 HA LEU 84 0.163 -3.963 -13.059 632 HB2 LEU 84 1HB LEU 84 -0.321 -5.635 -10.592 633 HB3 LEU 84 2HB LEU 84 0.860 -4.343 -10.679 634 HG LEU 84 HG LEU 84 -1.952 -3.689 -11.442 635 HD11 LEU 84 1HD1 LEU 84 -2.730 -4.642 -9.551 636 HD12 LEU 84 2HD1 LEU 84 -1.132 -4.660 -8.766 637 HD13 LEU 84 3HD1 LEU 84 -2.090 -3.160 -8.801 638 HD21 LEU 84 1HD2 LEU 84 0.254 -2.222 -9.974 639 HD22 LEU 84 2HD2 LEU 84 -0.292 -1.961 -11.648 640 HD23 LEU 84 3HD2 LEU 84 -1.370 -1.564 -10.288 641 H ARG 85 H ARG 85 2.508 -4.558 -11.785 642 HA ARG 85 HA ARG 85 3.419 -7.111 -12.630 643 HB2 ARG 85 1HB ARG 85 4.170 -4.583 -14.133 644 HB3 ARG 85 2HB ARG 85 5.348 -5.873 -13.994 645 HG2 ARG 85 1HG ARG 85 2.563 -6.064 -15.226 646 HG3 ARG 85 2HG ARG 85 4.095 -6.187 -16.067 647 HD2 ARG 85 1HD ARG 85 4.532 -8.203 -14.374 648 HD3 ARG 85 2HD ARG 85 2.787 -8.194 -14.214 649 HE ARG 85 HE ARG 85 3.281 -8.113 -16.982 650 HH11 ARG 85 2HH2 ARG 85 4.003 -10.295 -14.317 651 HH12 ARG 85 1HH2 ARG 85 4.017 -11.712 -15.313 652 HH21 ARG 85 2HH1 ARG 85 3.299 -9.983 -18.296 653 HH22 ARG 85 1HH1 ARG 85 3.614 -11.533 -17.591 654 HA PRO 86 HA PRO 86 6.226 -6.137 -9.436 655 HB2 PRO 86 1HB PRO 86 8.196 -7.988 -9.841 656 HB3 PRO 86 2HB PRO 86 6.681 -8.360 -9.043 657 HG2 PRO 86 1HG PRO 86 7.554 -9.056 -11.780 658 HG3 PRO 86 2HG PRO 86 6.262 -9.759 -10.828 659 HD2 PRO 86 1HD PRO 86 5.981 -7.899 -12.993 660 HD3 PRO 86 2HD PRO 86 4.701 -8.513 -11.966 661 H GLY 87 H GLY 87 6.707 -3.987 -10.007 662 HA2 GLY 87 1HA GLY 87 9.255 -3.241 -10.096 663 HA3 GLY 87 2HA GLY 87 8.992 -3.646 -11.781 664 H ASP 88 H ASP 88 6.671 -2.222 -9.391 665 HA ASP 88 HA ASP 88 6.644 0.147 -11.091 666 HB2 ASP 88 1HB ASP 88 4.540 -1.685 -10.691 667 HB3 ASP 88 2HB ASP 88 4.150 -0.368 -9.603 668 H GLU 89 H GLU 89 5.141 1.894 -9.620 669 HA GLU 89 HA GLU 89 6.101 1.683 -6.886 670 HB2 GLU 89 1HB GLU 89 7.684 3.128 -8.156 671 HB3 GLU 89 2HB GLU 89 6.358 4.165 -8.642 672 HG2 GLU 89 1HG GLU 89 5.883 4.702 -6.253 673 HG3 GLU 89 2HG GLU 89 7.178 3.636 -5.746 674 H VAL 90 H VAL 90 4.199 1.513 -5.758 675 HA VAL 90 HA VAL 90 1.823 2.776 -6.725 676 HB VAL 90 HB VAL 90 2.231 1.525 -4.018 677 HG11 VAL 90 1HG1 VAL 90 0.056 2.709 -4.831 678 HG12 VAL 90 2HG1 VAL 90 -0.177 1.239 -5.807 679 HG13 VAL 90 3HG1 VAL 90 -0.062 1.122 -4.034 680 HG21 VAL 90 1HG2 VAL 90 3.208 -0.123 -5.377 681 HG22 VAL 90 2HG2 VAL 90 1.513 -0.642 -5.216 682 HG23 VAL 90 3HG2 VAL 90 2.061 0.160 -6.708 683 H LEU 91 H LEU 91 1.277 4.866 -6.412 684 HA LEU 91 HA LEU 91 2.805 6.421 -4.537 685 HB2 LEU 91 1HB LEU 91 0.576 7.143 -6.445 686 HB3 LEU 91 2HB LEU 91 1.458 8.292 -5.458 687 HG LEU 91 HG LEU 91 2.642 6.544 -7.633 688 HD11 LEU 91 1HD1 LEU 91 3.076 9.014 -8.523 689 HD12 LEU 91 2HD1 LEU 91 1.575 8.124 -8.875 690 HD13 LEU 91 3HD1 LEU 91 1.605 9.338 -7.574 691 HD21 LEU 91 1HD2 LEU 91 4.576 8.309 -7.209 692 HD22 LEU 91 2HD2 LEU 91 3.880 8.311 -5.571 693 HD23 LEU 91 3HD2 LEU 91 4.466 6.791 -6.286 694 H GLU 92 H GLU 92 -0.706 5.627 -5.043 695 HA GLU 92 HA GLU 92 -0.986 5.998 -2.164 696 HB2 GLU 92 1HB GLU 92 -2.960 6.804 -4.345 697 HB3 GLU 92 2HB GLU 92 -3.324 6.832 -2.631 698 HG2 GLU 92 1HG GLU 92 -1.797 8.593 -2.194 699 HG3 GLU 92 2HG GLU 92 -0.865 8.282 -3.645 700 H TRP 93 H TRP 93 -2.904 4.759 -1.233 701 HA TRP 93 HA TRP 93 -3.600 2.436 -2.872 702 HB2 TRP 93 1HB TRP 93 -1.724 1.685 -1.591 703 HB3 TRP 93 2HB TRP 93 -2.378 2.363 -0.113 704 HD1 TRP 93 HD TRP 93 -4.734 1.078 0.811 705 HE1 TRP 93 1HE TRP 93 -5.468 -1.456 0.760 706 HE3 TRP 93 3HE TRP 93 -1.537 -0.319 -2.888 707 HZ2 TRP 93 2HZ TRP 93 -4.648 -3.710 -0.786 708 HZ3 TRP 93 3HZ TRP 93 -1.567 -2.705 -3.609 709 HH2 TRP 93 HH TRP 93 -3.052 -4.376 -2.622 710 H ASN 94 H ASN 94 -5.723 3.260 -3.138 711 HA ASN 94 HA ASN 94 -7.828 3.408 -2.599 712 HB2 ASN 94 1HB ASN 94 -6.796 1.915 -0.368 713 HB3 ASN 94 2HB ASN 94 -7.854 3.138 0.306 714 HD21 ASN 94 1HD2 ASN 94 -8.229 0.293 0.232 715 HD22 ASN 94 2HD2 ASN 94 -9.692 -0.040 -0.634 716 H GLY 95 H GLY 95 -5.685 5.568 -2.274 717 HA2 GLY 95 1HA GLY 95 -6.254 7.858 -2.034 718 HA3 GLY 95 2HA GLY 95 -7.310 7.454 -0.695 719 H ARG 96 H ARG 96 -4.988 5.414 0.106 720 HA ARG 96 HA ARG 96 -3.785 7.301 1.868 721 HB2 ARG 96 1HB ARG 96 -3.963 4.323 1.627 722 HB3 ARG 96 2HB ARG 96 -2.494 4.916 2.377 723 HG2 ARG 96 1HG ARG 96 -4.959 6.258 3.355 724 HG3 ARG 96 2HG ARG 96 -4.916 4.538 3.686 725 HD2 ARG 96 1HD ARG 96 -3.484 4.908 5.407 726 HD3 ARG 96 2HD ARG 96 -2.296 5.537 4.283 727 HE ARG 96 HE ARG 96 -2.846 7.710 4.954 728 HH11 ARG 96 2HH2 ARG 96 -5.427 5.522 5.921 729 HH12 ARG 96 1HH2 ARG 96 -6.279 6.724 6.832 730 HH21 ARG 96 2HH1 ARG 96 -3.969 9.297 6.156 731 HH22 ARG 96 1HH1 ARG 96 -5.444 8.886 6.966 732 H LEU 97 H LEU 97 -1.986 8.460 1.251 733 HA LEU 97 HA LEU 97 -0.459 7.698 -1.007 734 HB2 LEU 97 1HB LEU 97 -0.866 10.013 -0.411 735 HB3 LEU 97 2HB LEU 97 -0.031 9.804 1.115 736 HG LEU 97 HG LEU 97 1.791 9.011 -0.912 737 HD11 LEU 97 1HD1 LEU 97 1.951 11.069 -2.265 738 HD12 LEU 97 2HD1 LEU 97 0.446 10.166 -2.561 739 HD13 LEU 97 3HD1 LEU 97 0.419 11.635 -1.556 740 HD21 LEU 97 1HD2 LEU 97 1.801 11.636 0.584 741 HD22 LEU 97 2HD2 LEU 97 2.179 10.078 1.358 742 HD23 LEU 97 3HD2 LEU 97 3.186 10.674 0.016 743 H LEU 98 H LEU 98 1.409 6.530 -1.174 744 HA LEU 98 HA LEU 98 2.339 5.309 1.304 745 HB2 LEU 98 1HB LEU 98 3.038 4.591 -1.542 746 HB3 LEU 98 2HB LEU 98 3.360 3.653 -0.097 747 HG LEU 98 HG LEU 98 0.698 4.164 -1.430 748 HD11 LEU 98 1HD1 LEU 98 2.582 2.157 -1.755 749 HD12 LEU 98 2HD1 LEU 98 1.375 1.434 -0.664 750 HD13 LEU 98 3HD1 LEU 98 0.869 2.095 -2.237 751 HD21 LEU 98 1HD2 LEU 98 1.253 3.616 1.404 752 HD22 LEU 98 2HD2 LEU 98 -0.216 4.233 0.612 753 HD23 LEU 98 3HD2 LEU 98 0.108 2.483 0.647 754 H GLN 99 H GLN 99 3.163 7.724 -1.094 755 HA GLN 99 HA GLN 99 5.885 7.654 -0.996 756 HB2 GLN 99 1HB GLN 99 3.800 9.675 -1.607 757 HB3 GLN 99 2HB GLN 99 5.336 10.367 -1.125 758 HG2 GLN 99 1HG GLN 99 6.374 8.631 -2.829 759 HG3 GLN 99 2HG GLN 99 4.747 8.539 -3.474 760 HE21 GLN 99 1HE2 GLN 99 6.470 9.372 -5.201 761 HE22 GLN 99 2HE2 GLN 99 6.433 11.082 -5.477 762 H GLY 100 H GLY 100 7.275 7.731 0.711 763 HA2 GLY 100 1HA GLY 100 8.270 8.849 2.491 764 HA3 GLY 100 2HA GLY 100 6.766 9.680 2.836 765 H ALA 101 H ALA 101 5.090 7.201 2.627 766 HA ALA 101 HA ALA 101 5.069 6.468 5.282 767 HB1 ALA 101 1HB ALA 101 3.175 6.172 3.769 768 HB2 ALA 101 2HB ALA 101 4.091 4.984 2.810 769 HB3 ALA 101 3HB ALA 101 3.616 4.602 4.483 770 H THR 102 H THR 102 5.920 4.733 6.480 771 HA THR 102 HA THR 102 8.396 3.695 5.454 772 HB THR 102 HB THR 102 8.738 3.051 7.732 773 HG1 THR 102 1HG THR 102 6.979 1.924 8.474 774 HG21 THR 102 1HG2 THR 102 7.805 5.631 7.286 775 HG22 THR 102 2HG2 THR 102 6.663 5.039 8.516 776 HG23 THR 102 3HG2 THR 102 8.411 5.040 8.852 777 H PHE 103 H PHE 103 8.802 1.216 6.100 778 HA PHE 103 HA PHE 103 7.414 -0.235 4.186 779 HB2 PHE 103 1HB PHE 103 9.662 -0.823 5.037 780 HB3 PHE 103 2HB PHE 103 9.063 -0.937 6.680 781 HD1 PHE 103 2HD PHE 103 7.510 -2.833 7.278 782 HD2 PHE 103 1HD PHE 103 9.606 -2.691 3.591 783 HE1 PHE 103 2HE PHE 103 7.136 -5.296 6.971 784 HE2 PHE 103 1HE PHE 103 9.232 -5.154 3.284 785 HZ PHE 103 HZ PHE 103 8.002 -6.427 4.978 786 H GLU 104 H GLU 104 7.018 -0.041 7.774 787 HA GLU 104 HA GLU 104 5.060 -2.045 7.842 788 HB2 GLU 104 1HB GLU 104 5.899 0.141 9.779 789 HB3 GLU 104 2HB GLU 104 4.581 -0.952 10.154 790 HG2 GLU 104 1HG GLU 104 6.342 -2.836 9.470 791 HG3 GLU 104 2HG GLU 104 7.519 -1.580 9.796 792 H GLU 105 H GLU 105 5.009 1.518 7.459 793 HA GLU 105 HA GLU 105 2.318 1.893 7.915 794 HB2 GLU 105 1HB GLU 105 4.464 3.375 6.413 795 HB3 GLU 105 2HB GLU 105 2.803 3.878 6.166 796 HG2 GLU 105 1HG GLU 105 4.278 3.713 8.834 797 HG3 GLU 105 2HG GLU 105 3.768 5.173 8.010 798 H VAL 106 H VAL 106 4.030 1.629 4.708 799 HA VAL 106 HA VAL 106 1.844 1.602 3.094 800 HB VAL 106 HB VAL 106 4.435 0.060 2.876 801 HG11 VAL 106 1HG1 VAL 106 2.197 -0.378 1.330 802 HG12 VAL 106 2HG1 VAL 106 3.089 0.835 0.379 803 HG13 VAL 106 3HG1 VAL 106 3.877 -0.696 0.834 804 HG21 VAL 106 1HG2 VAL 106 5.036 2.306 2.968 805 HG22 VAL 106 2HG2 VAL 106 4.866 2.026 1.218 806 HG23 VAL 106 3HG2 VAL 106 3.566 2.843 2.120 807 H TYR 107 H TYR 107 3.372 -1.224 4.774 808 HA TYR 107 HA TYR 107 1.637 -3.150 3.772 809 HB2 TYR 107 1HB TYR 107 3.831 -3.415 5.063 810 HB3 TYR 107 2HB TYR 107 3.028 -2.828 6.505 811 HD1 TYR 107 2HD TYR 107 1.020 -4.203 7.396 812 HD2 TYR 107 1HD TYR 107 3.836 -5.711 4.549 813 HE1 TYR 107 2HE TYR 107 0.348 -6.584 7.980 814 HE2 TYR 107 1HE TYR 107 3.154 -8.087 5.143 815 HH TYR 107 HH TYR 107 0.449 -8.698 7.303 816 H ASN 108 H ASN 108 1.494 -1.271 6.880 817 HA ASN 108 HA ASN 108 -0.715 -2.424 7.913 818 HB2 ASN 108 1HB ASN 108 0.444 0.370 8.033 819 HB3 ASN 108 2HB ASN 108 -1.130 0.110 8.757 820 HD21 ASN 108 1HD2 ASN 108 2.054 0.217 9.376 821 HD22 ASN 108 2HD2 ASN 108 2.185 -0.818 10.759 822 H ILE 109 H ILE 109 -0.432 0.302 5.540 823 HA ILE 109 HA ILE 109 -3.060 1.059 5.386 824 HB ILE 109 HB ILE 109 -0.869 0.974 3.321 825 HG12 ILE 109 1HG1 ILE 109 -2.013 3.389 4.720 826 HG13 ILE 109 2HG1 ILE 109 -0.761 2.417 5.467 827 HG21 ILE 109 1HG2 ILE 109 -2.858 2.909 2.658 828 HG22 ILE 109 2HG2 ILE 109 -2.288 1.516 1.708 829 HG23 ILE 109 3HG2 ILE 109 -3.651 1.326 2.836 830 HD11 ILE 109 1HD1 ILE 109 0.205 2.757 2.867 831 HD12 ILE 109 2HD1 ILE 109 -0.562 4.322 3.228 832 HD13 ILE 109 3HD1 ILE 109 0.715 3.689 4.295 833 H ILE 110 H ILE 110 -1.405 -1.328 3.193 834 HA ILE 110 HA ILE 110 -3.678 -2.170 1.902 835 HB ILE 110 HB ILE 110 -1.049 -3.484 2.522 836 HG12 ILE 110 1HG1 ILE 110 -1.852 -2.990 -0.259 837 HG13 ILE 110 2HG1 ILE 110 -1.792 -1.532 0.710 838 HG21 ILE 110 1HG2 ILE 110 -2.119 -5.457 2.255 839 HG22 ILE 110 2HG2 ILE 110 -3.497 -4.727 1.397 840 HG23 ILE 110 3HG2 ILE 110 -1.973 -5.038 0.532 841 HD11 ILE 110 1HD1 ILE 110 0.405 -2.193 -0.420 842 HD12 ILE 110 2HD1 ILE 110 0.509 -1.918 1.336 843 HD13 ILE 110 3HD1 ILE 110 0.467 -3.578 0.696 844 H LEU 111 H LEU 111 -2.575 -2.796 5.187 845 HA LEU 111 HA LEU 111 -4.285 -5.082 5.515 846 HB2 LEU 111 1HB LEU 111 -2.421 -5.276 6.811 847 HB3 LEU 111 2HB LEU 111 -2.331 -3.561 7.161 848 HG LEU 111 HG LEU 111 -4.506 -3.994 8.560 849 HD11 LEU 111 1HD1 LEU 111 -3.397 -6.775 8.192 850 HD12 LEU 111 2HD1 LEU 111 -4.354 -6.317 9.621 851 HD13 LEU 111 3HD1 LEU 111 -5.069 -6.199 7.995 852 HD21 LEU 111 1HD2 LEU 111 -2.687 -5.072 10.338 853 HD22 LEU 111 2HD2 LEU 111 -1.656 -4.217 9.165 854 HD23 LEU 111 3HD2 LEU 111 -2.950 -3.341 10.017 855 H GLU 112 H GLU 112 -4.454 -1.571 5.848 856 HA GLU 112 HA GLU 112 -6.644 -1.577 7.606 857 HB2 GLU 112 1HB GLU 112 -5.355 0.479 5.796 858 HB3 GLU 112 2HB GLU 112 -6.870 0.852 6.592 859 HG2 GLU 112 1HG GLU 112 -5.187 -0.329 8.585 860 HG3 GLU 112 2HG GLU 112 -4.186 0.815 7.712 861 H SER 113 H SER 113 -6.236 -1.833 4.085 862 HA SER 113 HA SER 113 -9.056 -1.416 3.680 863 HB2 SER 113 1HB SER 113 -8.552 -1.458 1.321 864 HB3 SER 113 2HB SER 113 -7.303 -0.506 2.099 865 HG SER 113 HG SER 113 -7.140 -3.156 1.010 866 H LYS 114 H LYS 114 -7.949 -3.744 5.275 867 HA LYS 114 HA LYS 114 -8.031 -6.076 3.743 868 HB2 LYS 114 1HB LYS 114 -7.916 -5.322 6.563 869 HB3 LYS 114 2HB LYS 114 -8.868 -6.771 6.309 870 HG2 LYS 114 1HG LYS 114 -6.888 -7.547 4.766 871 HG3 LYS 114 2HG LYS 114 -5.969 -6.275 5.546 872 HD2 LYS 114 1HD LYS 114 -5.490 -7.965 7.042 873 HD3 LYS 114 2HD LYS 114 -6.987 -7.422 7.773 874 HE2 LYS 114 1HE LYS 114 -7.894 -9.205 5.826 875 HE3 LYS 114 2HE LYS 114 -6.399 -9.955 6.348 876 HZ1 LYS 114 1HZ LYS 114 -8.513 -9.050 8.177 877 HZ2 LYS 114 2HZ LYS 114 -8.313 -10.594 7.684 878 HZ3 LYS 114 3HZ LYS 114 -7.164 -9.871 8.592 879 HA PRO 115 HA PRO 115 -12.615 -6.229 4.836 880 HB2 PRO 115 1HB PRO 115 -13.809 -4.166 6.171 881 HB3 PRO 115 2HB PRO 115 -13.201 -5.601 6.972 882 HG2 PRO 115 1HG PRO 115 -12.036 -2.885 6.899 883 HG3 PRO 115 2HG PRO 115 -11.695 -4.196 8.011 884 HD2 PRO 115 1HD PRO 115 -10.063 -3.341 5.813 885 HD3 PRO 115 2HD PRO 115 -9.780 -4.723 6.852 886 H GLU 116 H GLU 116 -11.286 -3.199 3.888 887 HA GLU 116 HA GLU 116 -13.260 -1.937 2.689 888 HB2 GLU 116 1HB GLU 116 -10.386 -2.311 2.106 889 HB3 GLU 116 2HB GLU 116 -11.311 -1.824 0.699 890 HG2 GLU 116 1HG GLU 116 -12.186 -0.268 2.994 891 HG3 GLU 116 2HG GLU 116 -10.440 -0.183 2.879 892 HA PRO 117 HA PRO 117 -14.965 -4.651 -0.256 893 HB2 PRO 117 1HB PRO 117 -16.631 -2.911 -1.546 894 HB3 PRO 117 2HB PRO 117 -17.046 -3.691 -0.034 895 HG2 PRO 117 1HG PRO 117 -16.223 -0.892 -0.510 896 HG3 PRO 117 2HG PRO 117 -17.038 -1.575 0.883 897 HD2 PRO 117 1HD PRO 117 -14.268 -0.854 0.698 898 HD3 PRO 117 2HD PRO 117 -15.058 -1.643 2.049 899 H GLN 118 H GLN 118 -13.174 -1.869 -1.091 900 HA GLN 118 HA GLN 118 -12.390 -3.257 -3.492 901 HB2 GLN 118 1HB GLN 118 -12.859 -1.493 -5.003 902 HB3 GLN 118 2HB GLN 118 -14.308 -1.613 -4.024 903 HG2 GLN 118 1HG GLN 118 -12.983 0.176 -2.497 904 HG3 GLN 118 2HG GLN 118 -12.178 0.519 -4.015 905 HE21 GLN 118 1HE2 GLN 118 -13.679 0.710 -5.944 906 HE22 GLN 118 2HE2 GLN 118 -15.124 1.643 -5.737 907 H VAL 119 H VAL 119 -10.471 -1.916 -4.572 908 HA VAL 119 HA VAL 119 -8.995 -0.405 -2.580 909 HB VAL 119 HB VAL 119 -7.911 -2.914 -3.877 910 HG11 VAL 119 1HG1 VAL 119 -5.926 -1.923 -3.557 911 HG12 VAL 119 2HG1 VAL 119 -6.640 -0.619 -2.578 912 HG13 VAL 119 3HG1 VAL 119 -6.209 -2.169 -1.817 913 HG21 VAL 119 1HG2 VAL 119 -7.788 -3.742 -1.499 914 HG22 VAL 119 2HG2 VAL 119 -8.792 -2.349 -1.030 915 HG23 VAL 119 3HG2 VAL 119 -9.436 -3.573 -2.151 916 H GLU 120 H GLU 120 -8.104 1.346 -3.549 917 HA GLU 120 HA GLU 120 -7.874 1.191 -6.450 918 HB2 GLU 120 1HB GLU 120 -9.481 2.887 -5.544 919 HB3 GLU 120 2HB GLU 120 -8.168 3.654 -4.672 920 HG2 GLU 120 1HG GLU 120 -7.100 3.546 -7.216 921 HG3 GLU 120 2HG GLU 120 -8.804 3.720 -7.586 922 H LEU 121 H LEU 121 -5.827 1.065 -7.254 923 HA LEU 121 HA LEU 121 -3.664 1.979 -5.499 924 HB2 LEU 121 1HB LEU 121 -3.922 -0.185 -7.543 925 HB3 LEU 121 2HB LEU 121 -2.351 0.542 -7.276 926 HG LEU 121 HG LEU 121 -2.228 -0.219 -5.053 927 HD11 LEU 121 1HD1 LEU 121 -4.087 -1.213 -3.812 928 HD12 LEU 121 2HD1 LEU 121 -4.460 0.452 -4.320 929 HD13 LEU 121 3HD1 LEU 121 -5.172 -0.926 -5.193 930 HD21 LEU 121 1HD2 LEU 121 -3.024 -2.119 -7.128 931 HD22 LEU 121 2HD2 LEU 121 -1.678 -2.180 -5.964 932 HD23 LEU 121 3HD2 LEU 121 -3.301 -2.727 -5.478 933 H VAL 122 H VAL 122 -1.748 2.980 -6.640 934 HA VAL 122 HA VAL 122 -2.418 4.253 -9.157 935 HB VAL 122 HB VAL 122 -1.555 5.969 -6.845 936 HG11 VAL 122 1HG1 VAL 122 -2.990 7.574 -8.449 937 HG12 VAL 122 2HG1 VAL 122 -1.257 7.256 -8.704 938 HG13 VAL 122 3HG1 VAL 122 -2.474 6.369 -9.653 939 HG21 VAL 122 1HG2 VAL 122 -3.690 4.835 -6.227 940 HG22 VAL 122 2HG2 VAL 122 -3.846 6.599 -6.404 941 HG23 VAL 122 3HG2 VAL 122 -4.436 5.520 -7.691 942 H VAL 123 H VAL 123 -0.674 3.943 -10.431 943 HA VAL 123 HA VAL 123 1.943 3.911 -9.091 944 HB VAL 123 HB VAL 123 2.368 2.478 -11.332 945 HG11 VAL 123 1HG1 VAL 123 3.173 1.435 -9.480 946 HG12 VAL 123 2HG1 VAL 123 1.727 1.802 -8.509 947 HG13 VAL 123 3HG1 VAL 123 1.699 0.456 -9.673 948 HG21 VAL 123 1HG2 VAL 123 -0.455 1.742 -10.487 949 HG22 VAL 123 2HG2 VAL 123 -0.017 2.582 -11.994 950 HG23 VAL 123 3HG2 VAL 123 0.540 0.916 -11.710 951 H SER 124 H SER 124 3.687 4.946 -10.191 952 HA SER 124 HA SER 124 2.738 6.710 -12.312 953 HB2 SER 124 1HB SER 124 3.371 7.829 -10.141 954 HB3 SER 124 2HB SER 124 5.000 7.211 -10.327 955 HG SER 124 HG SER 124 5.180 9.188 -11.257 956 H ARG 125 H ARG 125 3.696 6.419 -14.297 957 HA ARG 125 HA ARG 125 6.167 4.884 -14.282 958 HB2 ARG 125 1HB ARG 125 3.713 4.553 -15.740 959 HB3 ARG 125 2HB ARG 125 4.927 5.027 -16.911 960 HG2 ARG 125 1HG ARG 125 6.314 3.153 -16.432 961 HG3 ARG 125 2HG ARG 125 5.565 2.874 -14.872 962 HD2 ARG 125 1HD ARG 125 3.389 2.599 -16.569 963 HD3 ARG 125 2HD ARG 125 4.686 1.987 -17.576 964 HE ARG 125 HE ARG 125 4.686 0.936 -14.824 965 HH11 ARG 125 2HH2 ARG 125 3.584 0.464 -18.132 966 HH12 ARG 125 1HH2 ARG 125 3.323 -1.238 -17.938 967 HH21 ARG 125 2HH1 ARG 125 4.342 -1.308 -14.567 968 HH22 ARG 125 1HH1 ARG 125 3.757 -2.252 -15.896 969 H SER 126 H SER 126 7.714 5.426 -16.147 970 HA SER 126 HA SER 126 7.627 8.306 -16.567 971 HB2 SER 126 1HB SER 126 9.985 8.322 -16.563 972 HB3 SER 126 2HB SER 126 9.591 7.150 -15.321 973 HG SER 126 HG SER 126 10.239 5.476 -16.607 974 H GLY 127 H GLY 127 6.803 8.803 -18.571 975 HA2 GLY 127 1HA GLY 127 6.328 7.206 -20.683 976 HA3 GLY 127 2HA GLY 127 6.735 8.904 -20.832 977 HA PRO 128 HA PRO 128 10.064 6.224 -22.652 978 HB2 PRO 128 1HB PRO 128 9.407 6.239 -25.305 979 HB3 PRO 128 2HB PRO 128 9.012 4.915 -24.227 980 HG2 PRO 128 1HG PRO 128 7.233 7.004 -25.326 981 HG3 PRO 128 2HG PRO 128 6.805 5.461 -24.614 982 HD2 PRO 128 1HD PRO 128 6.601 8.039 -23.374 983 HD3 PRO 128 2HD PRO 128 6.283 6.487 -22.624 984 H SER 129 H SER 129 12.005 7.122 -23.037 985 HA SER 129 HA SER 129 12.238 9.207 -24.855 986 HB2 SER 129 1HB SER 129 11.056 10.346 -22.833 987 HB3 SER 129 2HB SER 129 12.584 10.171 -21.994 988 HG SER 129 HG SER 129 13.609 11.398 -23.718 989 H SER 130 H SER 130 14.391 9.247 -25.490 990 HA SER 130 HA SER 130 16.476 8.643 -25.598 991 HB2 SER 130 1HB SER 130 16.205 9.648 -22.783 992 HB3 SER 130 2HB SER 130 17.702 8.831 -23.188 993 HG SER 130 HG SER 130 16.840 10.724 -25.094 994 H GLY 131 H GLY 131 16.428 6.444 -26.161 995 HA2 GLY 131 1HA GLY 131 16.961 4.575 -23.962 996 HA3 GLY 131 2HA GLY 131 15.615 4.245 -25.034
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