NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568860 | 2mbl | 19404 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 20.086 -0.668 -5.151 2 H2 MET 1 2H MET 1 20.060 -2.317 -5.516 3 H3 MET 1 3H MET 1 21.202 -1.710 -4.430 4 HA MET 1 HA MET 1 19.498 -1.113 -2.878 5 HB2 MET 1 2HB MET 1 17.621 -2.324 -4.956 6 HB3 MET 1 3HB MET 1 17.143 -2.006 -3.289 7 HG2 MET 1 2HG MET 1 16.383 -0.230 -4.787 8 HG3 MET 1 3HG MET 1 17.542 0.382 -3.604 9 HE1 MET 1 3HE MET 1 18.333 2.605 -6.731 10 HE2 MET 1 1HE MET 1 17.900 2.593 -5.022 11 HE3 MET 1 2HE MET 1 16.743 2.030 -6.232 12 H SER 2 H SER 2 19.244 -2.506 -1.212 13 HA SER 2 HA SER 2 20.263 -5.207 -1.417 14 HB2 SER 2 2HB SER 2 20.785 -3.792 0.545 15 HB3 SER 2 3HB SER 2 19.069 -3.658 0.932 16 HG SER 2 HG SER 2 19.164 -5.535 1.867 17 H GLY 3 H GLY 3 19.029 -7.072 -0.609 18 HA2 GLY 3 2HA GLY 3 16.339 -7.340 -1.526 19 HA3 GLY 3 3HA GLY 3 17.220 -8.480 -0.516 20 H LYS 4 H LYS 4 15.087 -5.730 -0.537 21 HA LYS 4 HA LYS 4 15.219 -5.264 2.317 22 HB2 LYS 4 2HB LYS 4 14.975 -3.415 0.633 23 HB3 LYS 4 3HB LYS 4 13.369 -4.011 0.244 24 HG2 LYS 4 2HG LYS 4 13.273 -2.059 1.743 25 HG3 LYS 4 3HG LYS 4 12.591 -3.494 2.516 26 HD2 LYS 4 2HD LYS 4 13.991 -2.213 4.096 27 HD3 LYS 4 3HD LYS 4 14.672 -3.813 3.804 28 HE2 LYS 4 2HE LYS 4 16.263 -2.734 2.143 29 HE3 LYS 4 3HE LYS 4 15.647 -1.164 2.666 30 HZ1 LYS 4 3HZ LYS 4 16.435 -1.582 4.872 31 HZ2 LYS 4 1HZ LYS 4 17.714 -1.840 3.802 32 HZ3 LYS 4 2HZ LYS 4 16.901 -3.156 4.482 33 H LYS 5 H LYS 5 14.409 -7.009 3.405 34 HA LYS 5 HA LYS 5 11.675 -7.943 3.007 35 HB2 LYS 5 2HB LYS 5 13.634 -9.393 3.839 36 HB3 LYS 5 3HB LYS 5 13.553 -8.517 5.354 37 HG2 LYS 5 2HG LYS 5 11.176 -10.051 4.252 38 HG3 LYS 5 3HG LYS 5 12.416 -10.827 5.231 39 HD2 LYS 5 2HD LYS 5 10.655 -8.506 6.122 40 HD3 LYS 5 3HD LYS 5 10.437 -10.197 6.574 41 HE2 LYS 5 2HE LYS 5 12.473 -10.206 7.848 42 HE3 LYS 5 3HE LYS 5 12.960 -8.636 7.212 43 HZ1 LYS 5 3HZ LYS 5 12.100 -8.477 9.458 44 HZ2 LYS 5 1HZ LYS 5 10.624 -9.127 8.963 45 HZ3 LYS 5 2HZ LYS 5 11.122 -7.627 8.372 46 H VAL 6 H VAL 6 10.445 -6.116 3.260 47 HA VAL 6 HA VAL 6 10.534 -4.619 5.814 48 HB VAL 6 HB VAL 6 10.788 -3.182 3.848 49 HG11 VAL 6 1HG1 VAL 6 9.743 -4.611 2.135 50 HG12 VAL 6 2HG1 VAL 6 9.087 -2.973 2.087 51 HG13 VAL 6 3HG1 VAL 6 8.147 -4.277 2.817 52 HG21 VAL 6 3HG2 VAL 6 8.981 -1.588 4.207 53 HG22 VAL 6 1HG2 VAL 6 9.498 -2.285 5.744 54 HG23 VAL 6 2HG2 VAL 6 8.001 -2.835 4.983 55 H GLU 7 H GLU 7 8.541 -4.194 6.947 56 HA GLU 7 HA GLU 7 6.375 -6.138 6.456 57 HB2 GLU 7 2HB GLU 7 7.324 -4.699 8.943 58 HB3 GLU 7 3HB GLU 7 5.650 -5.227 8.840 59 HG2 GLU 7 2HG GLU 7 6.987 -6.872 10.032 60 HG3 GLU 7 3HG GLU 7 6.368 -7.548 8.538 61 H VAL 8 H VAL 8 4.789 -5.359 5.340 62 HA VAL 8 HA VAL 8 4.114 -2.479 5.314 63 HB VAL 8 HB VAL 8 3.827 -4.605 3.131 64 HG11 VAL 8 1HG1 VAL 8 2.929 -1.703 3.025 65 HG12 VAL 8 2HG1 VAL 8 1.870 -3.115 3.047 66 HG13 VAL 8 3HG1 VAL 8 2.930 -2.829 1.665 67 HG21 VAL 8 3HG2 VAL 8 5.522 -2.078 3.213 68 HG22 VAL 8 1HG2 VAL 8 5.410 -3.203 1.855 69 HG23 VAL 8 2HG2 VAL 8 6.122 -3.731 3.382 70 H GLN 9 H GLN 9 2.274 -2.090 6.409 71 HA GLN 9 HA GLN 9 0.361 -4.280 6.931 72 HB2 GLN 9 2HB GLN 9 0.659 -1.613 8.396 73 HB3 GLN 9 3HB GLN 9 -0.354 -2.976 8.875 74 HG2 GLN 9 2HG GLN 9 1.723 -4.340 9.207 75 HG3 GLN 9 3HG GLN 9 2.682 -2.909 8.835 76 HE21 GLN 9 1HE2 GLN 9 0.625 -4.446 11.187 77 HE22 GLN 9 2HE2 GLN 9 0.962 -3.360 12.489 78 H VAL 10 H VAL 10 -1.262 -4.234 5.449 79 HA VAL 10 HA VAL 10 -2.227 -1.681 4.336 80 HB VAL 10 HB VAL 10 -2.927 -4.553 3.540 81 HG11 VAL 10 1HG1 VAL 10 -3.987 -3.554 1.535 82 HG12 VAL 10 2HG1 VAL 10 -3.664 -1.938 2.169 83 HG13 VAL 10 3HG1 VAL 10 -4.776 -3.013 3.021 84 HG21 VAL 10 3HG2 VAL 10 -0.578 -4.010 3.019 85 HG22 VAL 10 1HG2 VAL 10 -1.087 -2.550 2.164 86 HG23 VAL 10 2HG2 VAL 10 -1.523 -4.142 1.534 87 H LYS 11 H LYS 11 -3.720 -0.718 5.542 88 HA LYS 11 HA LYS 11 -5.630 -2.265 7.202 89 HB2 LYS 11 2HB LYS 11 -3.970 -0.952 8.485 90 HB3 LYS 11 3HB LYS 11 -4.373 0.496 7.577 91 HG2 LYS 11 2HG LYS 11 -6.633 0.462 8.595 92 HG3 LYS 11 3HG LYS 11 -6.161 -0.950 9.549 93 HD2 LYS 11 2HD LYS 11 -4.370 0.359 10.628 94 HD3 LYS 11 3HD LYS 11 -4.777 1.764 9.636 95 HE2 LYS 11 2HE LYS 11 -5.709 2.039 11.857 96 HE3 LYS 11 3HE LYS 11 -7.012 1.828 10.692 97 HZ1 LYS 11 3HZ LYS 11 -5.957 -0.311 12.469 98 HZ2 LYS 11 1HZ LYS 11 -7.255 -0.457 11.400 99 HZ3 LYS 11 2HZ LYS 11 -7.373 0.566 12.741 100 H ILE 12 H ILE 12 -7.535 -2.301 6.033 101 HA ILE 12 HA ILE 12 -8.338 0.145 4.557 102 HB ILE 12 HB ILE 12 -7.636 -1.473 2.916 103 HG12 ILE 12 2HG1 ILE 12 -10.684 -1.403 3.013 104 HG13 ILE 12 3HG1 ILE 12 -9.655 -0.121 2.387 105 HG21 ILE 12 1HG2 ILE 12 -9.550 -3.490 4.132 106 HG22 ILE 12 2HG2 ILE 12 -7.789 -3.548 4.231 107 HG23 ILE 12 3HG2 ILE 12 -8.592 -3.725 2.668 108 HD11 ILE 12 3HD1 ILE 12 -8.875 -1.640 0.626 109 HD12 ILE 12 1HD1 ILE 12 -10.617 -1.382 0.594 110 HD13 ILE 12 2HD1 ILE 12 -9.966 -2.888 1.240 111 H THR 13 H THR 13 -10.241 0.942 5.035 112 HA THR 13 HA THR 13 -12.031 -0.439 6.902 113 HB THR 13 HB THR 13 -12.012 2.499 6.071 114 HG1 THR 13 HG1 THR 13 -10.041 2.040 7.079 115 HG21 THR 13 3HG2 THR 13 -13.217 1.117 8.496 116 HG22 THR 13 1HG2 THR 13 -14.128 1.757 7.115 117 HG23 THR 13 2HG2 THR 13 -13.241 2.850 8.177 118 H CYS 14 H CYS 14 -13.849 -1.344 6.044 119 HA CYS 14 HA CYS 14 -15.326 -0.015 3.895 120 HB2 CYS 14 2HB CYS 14 -13.641 -1.748 2.922 121 HB3 CYS 14 3HB CYS 14 -14.704 -2.971 3.589 122 H ASN 15 H ASN 15 -17.405 -0.062 4.312 123 HA ASN 15 HA ASN 15 -19.498 -0.707 4.760 124 HB2 ASN 15 2HB ASN 15 -18.945 -3.016 4.071 125 HB3 ASN 15 3HB ASN 15 -18.341 -3.370 5.684 126 HD21 ASN 15 1HD2 ASN 15 -21.300 -1.514 5.089 127 HD22 ASN 15 2HD2 ASN 15 -22.373 -2.721 5.682 128 H GLY 16 H GLY 16 -17.617 -2.175 7.434 129 HA2 GLY 16 2HA GLY 16 -18.026 0.076 9.167 130 HA3 GLY 16 3HA GLY 16 -19.082 -1.271 9.594 131 H LYS 17 H LYS 17 -16.274 -2.440 8.215 132 HA LYS 17 HA LYS 17 -14.945 -2.895 10.827 133 HB2 LYS 17 2HB LYS 17 -15.144 -4.758 8.417 134 HB3 LYS 17 3HB LYS 17 -14.165 -5.073 9.848 135 HG2 LYS 17 2HG LYS 17 -16.168 -5.234 11.234 136 HG3 LYS 17 3HG LYS 17 -17.185 -4.776 9.868 137 HD2 LYS 17 2HD LYS 17 -17.258 -7.210 10.273 138 HD3 LYS 17 3HD LYS 17 -16.583 -6.836 8.685 139 HE2 LYS 17 2HE LYS 17 -15.333 -8.641 9.816 140 HE3 LYS 17 3HE LYS 17 -14.312 -7.230 9.537 141 HZ1 LYS 17 3HZ LYS 17 -13.957 -8.102 11.741 142 HZ2 LYS 17 1HZ LYS 17 -15.600 -7.992 12.106 143 HZ3 LYS 17 2HZ LYS 17 -14.695 -6.588 11.866 144 H THR 18 H THR 18 -12.653 -3.033 10.758 145 HA THR 18 HA THR 18 -11.348 -1.853 8.371 146 HB THR 18 HB THR 18 -10.258 -1.672 11.218 147 HG1 THR 18 HG1 THR 18 -12.405 -0.419 10.273 148 HG21 THR 18 3HG2 THR 18 -8.907 0.172 10.273 149 HG22 THR 18 1HG2 THR 18 -9.665 -0.063 8.701 150 HG23 THR 18 2HG2 THR 18 -8.625 -1.324 9.375 151 H TYR 19 H TYR 19 -9.954 -3.180 7.402 152 HA TYR 19 HA TYR 19 -9.259 -5.771 8.619 153 HB2 TYR 19 2HB TYR 19 -9.388 -5.050 5.646 154 HB3 TYR 19 3HB TYR 19 -9.182 -6.656 6.332 155 HD1 TYR 19 HD2 TYR 19 -11.632 -3.865 5.901 156 HD2 TYR 19 HD1 TYR 19 -11.112 -7.978 6.954 157 HE1 TYR 19 HE2 TYR 19 -14.067 -4.177 5.853 158 HE2 TYR 19 HE1 TYR 19 -13.553 -8.288 6.903 159 HH TYR 19 HH TYR 19 -15.707 -5.954 5.616 160 H GLU 20 H GLU 20 -7.285 -5.275 9.554 161 HA GLU 20 HA GLU 20 -5.145 -4.353 7.721 162 HB2 GLU 20 2HB GLU 20 -3.838 -3.665 9.733 163 HB3 GLU 20 3HB GLU 20 -5.297 -2.734 9.478 164 HG2 GLU 20 2HG GLU 20 -5.123 -4.997 11.484 165 HG3 GLU 20 3HG GLU 20 -4.740 -3.323 11.877 166 H ARG 21 H ARG 21 -3.225 -5.400 7.693 167 HA ARG 21 HA ARG 21 -2.769 -7.889 9.126 168 HB2 ARG 21 2HB ARG 21 -4.314 -8.551 7.260 169 HB3 ARG 21 3HB ARG 21 -3.211 -7.842 6.096 170 HG2 ARG 21 2HG ARG 21 -2.639 -10.069 5.880 171 HG3 ARG 21 3HG ARG 21 -1.484 -9.589 7.121 172 HD2 ARG 21 2HD ARG 21 -4.134 -10.992 7.592 173 HD3 ARG 21 3HD ARG 21 -2.543 -11.748 7.633 174 HE ARG 21 HE ARG 21 -3.473 -9.698 9.563 175 HH11 ARG 21 1HH1 ARG 21 -1.654 -12.658 8.910 176 HH12 ARG 21 2HH1 ARG 21 -1.156 -12.833 10.563 177 HH21 ARG 21 1HH2 ARG 21 -2.772 -9.945 11.684 178 HH22 ARG 21 2HH2 ARG 21 -1.787 -11.301 12.123 179 H THR 22 H THR 22 -0.565 -8.107 9.362 180 HA THR 22 HA THR 22 1.219 -6.222 8.032 181 HB THR 22 HB THR 22 1.832 -8.332 10.152 182 HG1 THR 22 HG1 THR 22 1.245 -6.884 11.583 183 HG21 THR 22 3HG2 THR 22 3.479 -5.947 9.228 184 HG22 THR 22 1HG2 THR 22 3.867 -7.645 8.929 185 HG23 THR 22 2HG2 THR 22 3.884 -7.011 10.576 186 H TYR 23 H TYR 23 1.932 -6.782 6.058 187 HA TYR 23 HA TYR 23 2.354 -9.603 5.298 188 HB2 TYR 23 2HB TYR 23 2.380 -7.091 3.551 189 HB3 TYR 23 3HB TYR 23 2.451 -8.756 2.979 190 HD1 TYR 23 HD2 TYR 23 0.424 -10.226 3.153 191 HD2 TYR 23 HD1 TYR 23 0.263 -6.082 4.165 192 HE1 TYR 23 HE2 TYR 23 -2.039 -10.289 3.064 193 HE2 TYR 23 HE1 TYR 23 -2.179 -6.145 4.086 194 HH TYR 23 HH TYR 23 -3.931 -8.999 4.089 195 H GLN 24 H GLN 24 4.352 -10.361 4.755 196 HA GLN 24 HA GLN 24 6.711 -8.650 5.206 197 HB2 GLN 24 2HB GLN 24 6.304 -11.677 5.070 198 HB3 GLN 24 3HB GLN 24 7.908 -10.953 5.019 199 HG2 GLN 24 2HG GLN 24 7.392 -11.717 7.268 200 HG3 GLN 24 3HG GLN 24 7.554 -9.968 7.230 201 HE21 GLN 24 1HE2 GLN 24 6.353 -9.529 9.039 202 HE22 GLN 24 2HE2 GLN 24 4.663 -9.854 9.178 203 H LEU 25 H LEU 25 7.171 -7.570 3.352 204 HA LEU 25 HA LEU 25 6.971 -8.953 0.744 205 HB2 LEU 25 2HB LEU 25 7.075 -5.966 1.349 206 HB3 LEU 25 3HB LEU 25 7.006 -6.669 -0.260 207 HG LEU 25 HG LEU 25 4.819 -6.646 1.850 208 HD11 LEU 25 1HD1 LEU 25 3.524 -5.458 0.129 209 HD12 LEU 25 2HD1 LEU 25 4.910 -5.515 -0.965 210 HD13 LEU 25 3HD1 LEU 25 5.007 -4.600 0.542 211 HD21 LEU 25 3HD2 LEU 25 4.777 -8.873 0.851 212 HD22 LEU 25 1HD2 LEU 25 4.806 -8.185 -0.776 213 HD23 LEU 25 2HD2 LEU 25 3.405 -7.936 0.271 214 H TYR 26 H TYR 26 8.857 -9.738 0.072 215 HA TYR 26 HA TYR 26 11.391 -8.356 0.720 216 HB2 TYR 26 2HB TYR 26 11.211 -10.729 1.463 217 HB3 TYR 26 3HB TYR 26 10.908 -11.228 -0.195 218 HD1 TYR 26 HD1 TYR 26 13.475 -9.873 2.114 219 HD2 TYR 26 HD2 TYR 26 12.761 -11.475 -1.771 220 HE1 TYR 26 HE1 TYR 26 15.890 -10.104 1.768 221 HE2 TYR 26 HE2 TYR 26 15.183 -11.703 -2.120 222 HH TYR 26 HH TYR 26 17.454 -11.346 0.432 223 H ALA 27 H ALA 27 12.278 -7.199 -0.905 224 HA ALA 27 HA ALA 27 12.185 -8.218 -3.654 225 HB1 ALA 27 3HB ALA 27 10.296 -6.653 -3.554 226 HB2 ALA 27 1HB ALA 27 11.581 -6.015 -4.582 227 HB3 ALA 27 2HB ALA 27 11.357 -5.380 -2.949 228 H VAL 28 H VAL 28 14.193 -8.305 -4.291 229 HA VAL 28 HA VAL 28 16.387 -6.777 -3.272 230 HB VAL 28 HB VAL 28 16.185 -8.461 -5.817 231 HG11 VAL 28 1HG1 VAL 28 18.666 -7.577 -4.303 232 HG12 VAL 28 2HG1 VAL 28 18.145 -6.997 -5.888 233 HG13 VAL 28 3HG1 VAL 28 18.637 -8.678 -5.685 234 HG21 VAL 28 3HG2 VAL 28 17.099 -9.319 -3.044 235 HG22 VAL 28 1HG2 VAL 28 17.154 -10.316 -4.503 236 HG23 VAL 28 2HG2 VAL 28 15.600 -9.803 -3.843 237 H ARG 29 H ARG 29 14.086 -6.458 -5.858 238 HA ARG 29 HA ARG 29 15.485 -4.157 -7.078 239 HB2 ARG 29 2HB ARG 29 13.345 -5.821 -8.446 240 HB3 ARG 29 3HB ARG 29 14.540 -4.763 -9.186 241 HG2 ARG 29 2HG ARG 29 16.328 -6.396 -8.585 242 HG3 ARG 29 3HG ARG 29 15.107 -7.449 -7.867 243 HD2 ARG 29 2HD ARG 29 13.987 -7.511 -10.169 244 HD3 ARG 29 3HD ARG 29 15.430 -6.712 -10.799 245 HE ARG 29 HE ARG 29 15.150 -9.476 -9.962 246 HH11 ARG 29 1HH1 ARG 29 17.474 -6.949 -10.721 247 HH12 ARG 29 2HH1 ARG 29 18.760 -8.066 -11.027 248 HH21 ARG 29 1HH2 ARG 29 16.837 -10.917 -10.375 249 HH22 ARG 29 2HH2 ARG 29 18.398 -10.321 -10.837 250 H ASP 30 H ASP 30 14.199 -2.317 -7.663 251 HA ASP 30 HA ASP 30 12.184 -1.549 -5.798 252 HB2 ASP 30 2HB ASP 30 12.902 -0.167 -8.429 253 HB3 ASP 30 3HB ASP 30 12.066 0.565 -7.063 254 H GLU 31 H GLU 31 12.096 -2.372 -9.253 255 HA GLU 31 HA GLU 31 9.361 -1.960 -9.765 256 HB2 GLU 31 2HB GLU 31 11.318 -3.862 -11.112 257 HB3 GLU 31 3HB GLU 31 9.732 -3.453 -11.757 258 HG2 GLU 31 2HG GLU 31 12.054 -1.547 -11.349 259 HG3 GLU 31 3HG GLU 31 11.501 -2.203 -12.887 260 H GLU 32 H GLU 32 11.055 -4.703 -8.366 261 HA GLU 32 HA GLU 32 9.043 -6.653 -8.551 262 HB2 GLU 32 2HB GLU 32 11.360 -6.243 -6.642 263 HB3 GLU 32 3HB GLU 32 10.253 -7.597 -6.439 264 HG2 GLU 32 2HG GLU 32 11.962 -7.053 -8.886 265 HG3 GLU 32 3HG GLU 32 12.291 -8.243 -7.632 266 H LEU 33 H LEU 33 9.709 -4.219 -5.992 267 HA LEU 33 HA LEU 33 7.658 -5.140 -4.242 268 HB2 LEU 33 2HB LEU 33 9.789 -3.514 -3.870 269 HB3 LEU 33 3HB LEU 33 8.571 -2.277 -4.077 270 HG LEU 33 HG LEU 33 8.954 -2.724 -1.691 271 HD11 LEU 33 1HD1 LEU 33 6.682 -2.072 -2.295 272 HD12 LEU 33 2HD1 LEU 33 6.703 -3.130 -0.888 273 HD13 LEU 33 3HD1 LEU 33 6.224 -3.771 -2.465 274 HD21 LEU 33 3HD2 LEU 33 8.414 -4.885 -0.640 275 HD22 LEU 33 1HD2 LEU 33 9.738 -5.028 -1.794 276 HD23 LEU 33 2HD2 LEU 33 8.124 -5.592 -2.233 277 H LYS 34 H LYS 34 7.736 -2.758 -6.883 278 HA LYS 34 HA LYS 34 5.282 -1.469 -6.570 279 HB2 LYS 34 2HB LYS 34 6.729 -2.294 -9.120 280 HB3 LYS 34 3HB LYS 34 5.274 -1.302 -9.132 281 HG2 LYS 34 2HG LYS 34 6.420 0.460 -7.886 282 HG3 LYS 34 3HG LYS 34 7.870 -0.541 -7.759 283 HD2 LYS 34 2HD LYS 34 8.058 1.186 -9.546 284 HD3 LYS 34 3HD LYS 34 8.206 -0.455 -10.172 285 HE2 LYS 34 2HE LYS 34 5.815 -0.345 -10.902 286 HE3 LYS 34 3HE LYS 34 5.752 1.326 -10.345 287 HZ1 LYS 34 3HZ LYS 34 7.372 1.943 -11.968 288 HZ2 LYS 34 1HZ LYS 34 6.158 1.076 -12.757 289 HZ3 LYS 34 2HZ LYS 34 7.637 0.334 -12.416 290 H GLU 35 H GLU 35 5.890 -4.377 -8.591 291 HA GLU 35 HA GLU 35 3.173 -4.877 -9.136 292 HB2 GLU 35 2HB GLU 35 3.915 -6.882 -10.245 293 HB3 GLU 35 3HB GLU 35 5.068 -5.602 -10.564 294 HG2 GLU 35 2HG GLU 35 6.503 -7.369 -10.203 295 HG3 GLU 35 3HG GLU 35 6.422 -6.705 -8.574 296 H LYS 36 H LYS 36 5.184 -5.879 -6.449 297 HA LYS 36 HA LYS 36 3.463 -7.934 -5.436 298 HB2 LYS 36 2HB LYS 36 5.693 -6.307 -4.165 299 HB3 LYS 36 3HB LYS 36 4.795 -7.528 -3.261 300 HG2 LYS 36 2HG LYS 36 5.593 -9.298 -4.628 301 HG3 LYS 36 3HG LYS 36 6.181 -8.186 -5.868 302 HD2 LYS 36 2HD LYS 36 7.907 -7.362 -4.255 303 HD3 LYS 36 3HD LYS 36 7.349 -8.566 -3.085 304 HE2 LYS 36 2HE LYS 36 9.393 -9.238 -4.433 305 HE3 LYS 36 3HE LYS 36 8.051 -10.379 -4.492 306 HZ1 LYS 36 3HZ LYS 36 9.148 -9.907 -6.663 307 HZ2 LYS 36 1HZ LYS 36 8.524 -8.339 -6.583 308 HZ3 LYS 36 2HZ LYS 36 7.476 -9.659 -6.648 309 H LEU 37 H LEU 37 3.723 -4.440 -4.851 310 HA LEU 37 HA LEU 37 1.678 -4.207 -2.920 311 HB2 LEU 37 2HB LEU 37 2.623 -2.239 -5.031 312 HB3 LEU 37 3HB LEU 37 1.481 -1.821 -3.760 313 HG LEU 37 HG LEU 37 4.300 -2.816 -3.200 314 HD11 LEU 37 1HD1 LEU 37 3.313 0.039 -3.315 315 HD12 LEU 37 2HD1 LEU 37 4.442 -0.731 -4.432 316 HD13 LEU 37 3HD1 LEU 37 4.903 -0.486 -2.749 317 HD21 LEU 37 3HD2 LEU 37 2.267 -1.459 -1.394 318 HD22 LEU 37 1HD2 LEU 37 3.916 -1.908 -0.945 319 HD23 LEU 37 2HD2 LEU 37 2.741 -3.160 -1.339 320 H LYS 38 H LYS 38 1.545 -3.986 -6.523 321 HA LYS 38 HA LYS 38 -1.213 -3.702 -6.820 322 HB2 LYS 38 2HB LYS 38 0.722 -5.177 -8.657 323 HB3 LYS 38 3HB LYS 38 -0.902 -4.657 -9.101 324 HG2 LYS 38 2HG LYS 38 -0.173 -2.274 -8.659 325 HG3 LYS 38 3HG LYS 38 1.471 -2.884 -8.441 326 HD2 LYS 38 2HD LYS 38 1.224 -2.040 -10.718 327 HD3 LYS 38 3HD LYS 38 1.415 -3.794 -10.769 328 HE2 LYS 38 2HE LYS 38 -1.033 -4.048 -11.058 329 HE3 LYS 38 3HE LYS 38 -1.222 -2.295 -10.986 330 HZ1 LYS 38 3HZ LYS 38 0.293 -3.785 -13.064 331 HZ2 LYS 38 1HZ LYS 38 0.122 -2.109 -12.986 332 HZ3 LYS 38 2HZ LYS 38 -1.231 -3.078 -13.262 333 H LYS 39 H LYS 39 0.725 -6.662 -6.380 334 HA LYS 39 HA LYS 39 -1.309 -8.575 -6.694 335 HB2 LYS 39 2HB LYS 39 1.238 -8.629 -5.043 336 HB3 LYS 39 3HB LYS 39 0.143 -10.003 -5.082 337 HG2 LYS 39 2HG LYS 39 1.571 -8.839 -7.496 338 HG3 LYS 39 3HG LYS 39 2.077 -10.270 -6.594 339 HD2 LYS 39 2HD LYS 39 -0.168 -11.313 -7.183 340 HD3 LYS 39 3HD LYS 39 -0.456 -9.932 -8.250 341 HE2 LYS 39 2HE LYS 39 1.810 -11.952 -8.487 342 HE3 LYS 39 3HE LYS 39 0.393 -11.843 -9.530 343 HZ1 LYS 39 3HZ LYS 39 1.151 -9.681 -10.282 344 HZ2 LYS 39 1HZ LYS 39 2.342 -10.846 -10.546 345 HZ3 LYS 39 2HZ LYS 39 2.494 -9.761 -9.263 346 H VAL 40 H VAL 40 -0.032 -7.213 -3.630 347 HA VAL 40 HA VAL 40 -1.804 -8.572 -1.916 348 HB VAL 40 HB VAL 40 -0.209 -6.012 -1.424 349 HG11 VAL 40 1HG1 VAL 40 -0.458 -6.494 0.994 350 HG12 VAL 40 2HG1 VAL 40 -1.564 -7.815 0.612 351 HG13 VAL 40 3HG1 VAL 40 -2.012 -6.150 0.229 352 HG21 VAL 40 3HG2 VAL 40 1.204 -7.954 -1.995 353 HG22 VAL 40 1HG2 VAL 40 0.433 -8.905 -0.727 354 HG23 VAL 40 2HG2 VAL 40 1.423 -7.505 -0.301 355 H LEU 41 H LEU 41 -1.958 -5.246 -3.213 356 HA LEU 41 HA LEU 41 -4.289 -4.426 -1.841 357 HB2 LEU 41 2HB LEU 41 -2.900 -3.384 -4.328 358 HB3 LEU 41 3HB LEU 41 -4.367 -2.634 -3.719 359 HG LEU 41 HG LEU 41 -1.831 -2.910 -2.052 360 HD11 LEU 41 1HD1 LEU 41 -1.358 -1.487 -3.996 361 HD12 LEU 41 2HD1 LEU 41 -1.385 -0.547 -2.505 362 HD13 LEU 41 3HD1 LEU 41 -2.759 -0.480 -3.614 363 HD21 LEU 41 3HD2 LEU 41 -4.325 -1.223 -1.645 364 HD22 LEU 41 1HD2 LEU 41 -2.897 -1.236 -0.607 365 HD23 LEU 41 2HD2 LEU 41 -3.894 -2.680 -0.741 366 H ASN 42 H ASN 42 -3.935 -5.412 -5.316 367 HA ASN 42 HA ASN 42 -6.659 -5.283 -5.977 368 HB2 ASN 42 2HB ASN 42 -4.740 -5.353 -7.583 369 HB3 ASN 42 3HB ASN 42 -4.517 -7.057 -7.227 370 HD21 ASN 42 1HD2 ASN 42 -4.937 -7.858 -9.249 371 HD22 ASN 42 2HD2 ASN 42 -6.447 -7.682 -10.071 372 H GLU 43 H GLU 43 -4.770 -8.044 -4.696 373 HA GLU 43 HA GLU 43 -6.811 -10.015 -4.955 374 HB2 GLU 43 2HB GLU 43 -4.384 -9.900 -3.121 375 HB3 GLU 43 3HB GLU 43 -5.472 -11.281 -3.182 376 HG2 GLU 43 2HG GLU 43 -3.723 -10.259 -5.434 377 HG3 GLU 43 3HG GLU 43 -3.470 -11.713 -4.474 378 H ARG 44 H ARG 44 -5.819 -7.907 -2.235 379 HA ARG 44 HA ARG 44 -7.607 -9.135 -0.357 380 HB2 ARG 44 2HB ARG 44 -5.335 -7.720 0.007 381 HB3 ARG 44 3HB ARG 44 -6.474 -6.399 0.214 382 HG2 ARG 44 2HG ARG 44 -5.916 -7.344 2.383 383 HG3 ARG 44 3HG ARG 44 -7.611 -7.697 2.018 384 HD2 ARG 44 2HD ARG 44 -6.438 -9.662 2.986 385 HD3 ARG 44 3HD ARG 44 -7.007 -9.990 1.342 386 HE ARG 44 HE ARG 44 -4.219 -9.155 1.879 387 HH11 ARG 44 1HH1 ARG 44 -6.412 -11.506 0.424 388 HH12 ARG 44 2HH1 ARG 44 -5.134 -12.388 -0.350 389 HH21 ARG 44 1HH2 ARG 44 -2.576 -10.331 0.884 390 HH22 ARG 44 2HH2 ARG 44 -2.961 -11.716 -0.082 391 H MET 45 H MET 45 -7.772 -6.354 -2.476 392 HA MET 45 HA MET 45 -10.151 -5.255 -1.232 393 HB2 MET 45 2HB MET 45 -8.552 -4.402 -3.664 394 HB3 MET 45 3HB MET 45 -10.023 -3.588 -3.149 395 HG2 MET 45 2HG MET 45 -8.814 -3.324 -0.857 396 HG3 MET 45 3HG MET 45 -7.349 -3.694 -1.767 397 HE1 MET 45 3HE MET 45 -10.077 -0.082 -2.716 398 HE2 MET 45 1HE MET 45 -10.449 -1.270 -1.468 399 HE3 MET 45 2HE MET 45 -10.503 -1.734 -3.170 400 H ASP 46 H ASP 46 -9.548 -7.684 -3.512 401 HA ASP 46 HA ASP 46 -11.719 -7.369 -5.268 402 HB2 ASP 46 2HB ASP 46 -9.887 -8.894 -5.789 403 HB3 ASP 46 3HB ASP 46 -10.294 -9.921 -4.421 404 HA PRO 47 HA PRO 47 -14.540 -9.926 -2.229 405 HB2 PRO 47 2HB PRO 47 -13.732 -10.281 0.377 406 HB3 PRO 47 3HB PRO 47 -13.389 -11.462 -0.907 407 HG2 PRO 47 2HG PRO 47 -11.595 -9.307 0.186 408 HG3 PRO 47 3HG PRO 47 -11.225 -11.019 -0.136 409 HD2 PRO 47 2HD PRO 47 -10.513 -9.096 -1.878 410 HD3 PRO 47 3HD PRO 47 -11.050 -10.691 -2.439 411 H ILE 48 H ILE 48 -12.556 -7.216 -1.140 412 HA ILE 48 HA ILE 48 -14.314 -6.060 0.775 413 HB ILE 48 HB ILE 48 -12.085 -4.860 -0.915 414 HG12 ILE 48 2HG1 ILE 48 -11.357 -6.492 0.782 415 HG13 ILE 48 3HG1 ILE 48 -10.790 -4.883 1.196 416 HG21 ILE 48 1HG2 ILE 48 -13.594 -3.016 -0.427 417 HG22 ILE 48 2HG2 ILE 48 -12.113 -2.855 0.513 418 HG23 ILE 48 3HG2 ILE 48 -13.587 -3.430 1.288 419 HD11 ILE 48 3HD1 ILE 48 -11.505 -6.071 3.159 420 HD12 ILE 48 1HD1 ILE 48 -13.101 -6.352 2.467 421 HD13 ILE 48 2HD1 ILE 48 -12.589 -4.711 2.876 422 H LYS 49 H LYS 49 -13.953 -5.514 -2.740 423 HA LYS 49 HA LYS 49 -15.884 -3.434 -2.940 424 HB2 LYS 49 2HB LYS 49 -14.924 -5.333 -5.114 425 HB3 LYS 49 3HB LYS 49 -15.785 -3.813 -5.370 426 HG2 LYS 49 2HG LYS 49 -13.911 -2.541 -4.520 427 HG3 LYS 49 3HG LYS 49 -13.052 -4.008 -4.066 428 HD2 LYS 49 2HD LYS 49 -13.747 -3.176 -6.913 429 HD3 LYS 49 3HD LYS 49 -12.166 -2.989 -6.151 430 HE2 LYS 49 2HE LYS 49 -12.048 -5.476 -5.885 431 HE3 LYS 49 3HE LYS 49 -13.580 -5.608 -6.754 432 HZ1 LYS 49 3HZ LYS 49 -11.831 -5.981 -8.290 433 HZ2 LYS 49 1HZ LYS 49 -11.003 -4.592 -7.812 434 HZ3 LYS 49 2HZ LYS 49 -12.464 -4.455 -8.640 435 H LYS 50 H LYS 50 -16.000 -6.909 -3.066 436 HA LYS 50 HA LYS 50 -18.697 -7.272 -3.903 437 HB2 LYS 50 2HB LYS 50 -16.862 -8.955 -4.100 438 HB3 LYS 50 3HB LYS 50 -16.838 -9.120 -2.350 439 HG2 LYS 50 2HG LYS 50 -19.217 -9.954 -2.473 440 HG3 LYS 50 3HG LYS 50 -19.082 -9.917 -4.233 441 HD2 LYS 50 2HD LYS 50 -17.443 -11.615 -2.313 442 HD3 LYS 50 3HD LYS 50 -18.673 -12.191 -3.437 443 HE2 LYS 50 2HE LYS 50 -17.257 -11.565 -5.342 444 HE3 LYS 50 3HE LYS 50 -16.052 -10.881 -4.249 445 HZ1 LYS 50 3HZ LYS 50 -15.711 -13.093 -3.316 446 HZ2 LYS 50 1HZ LYS 50 -15.402 -13.071 -4.978 447 HZ3 LYS 50 2HZ LYS 50 -16.838 -13.743 -4.393 448 H LEU 51 H LEU 51 -17.149 -6.702 -0.778 449 HA LEU 51 HA LEU 51 -19.391 -7.366 0.906 450 HB2 LEU 51 2HB LEU 51 -17.017 -5.530 1.479 451 HB3 LEU 51 3HB LEU 51 -18.177 -6.074 2.682 452 HG LEU 51 HG LEU 51 -16.176 -7.812 1.195 453 HD11 LEU 51 1HD1 LEU 51 -16.289 -7.052 4.119 454 HD12 LEU 51 2HD1 LEU 51 -15.138 -6.453 2.922 455 HD13 LEU 51 3HD1 LEU 51 -15.128 -8.156 3.372 456 HD21 LEU 51 3HD2 LEU 51 -18.215 -9.088 1.526 457 HD22 LEU 51 1HD2 LEU 51 -18.241 -8.664 3.240 458 HD23 LEU 51 2HD2 LEU 51 -16.948 -9.680 2.594 459 H GLY 52 H GLY 52 -18.200 -4.449 -0.695 460 HA2 GLY 52 2HA GLY 52 -19.619 -2.929 -1.772 461 HA3 GLY 52 3HA GLY 52 -20.960 -3.468 -0.781 462 H CYS 53 H CYS 53 -19.091 -0.906 -1.402 463 HA CYS 53 HA CYS 53 -19.785 0.508 1.034 464 HB2 CYS 53 2HB CYS 53 -16.883 0.201 0.125 465 HB3 CYS 53 3HB CYS 53 -17.427 1.332 1.361 466 H LYS 54 H LYS 54 -19.727 2.842 0.679 467 HA LYS 54 HA LYS 54 -19.866 3.706 -2.069 468 HB2 LYS 54 2HB LYS 54 -20.324 5.925 -1.272 469 HB3 LYS 54 3HB LYS 54 -21.217 4.817 -0.250 470 HG2 LYS 54 2HG LYS 54 -18.545 5.958 0.607 471 HG3 LYS 54 3HG LYS 54 -20.043 6.851 0.848 472 HD2 LYS 54 2HD LYS 54 -19.553 4.052 1.936 473 HD3 LYS 54 3HD LYS 54 -19.242 5.529 2.850 474 HE2 LYS 54 2HE LYS 54 -21.602 6.140 2.766 475 HE3 LYS 54 3HE LYS 54 -21.960 4.764 1.716 476 HZ1 LYS 54 3HZ LYS 54 -20.962 4.591 4.510 477 HZ2 LYS 54 1HZ LYS 54 -21.312 3.279 3.508 478 HZ3 LYS 54 2HZ LYS 54 -22.553 4.307 4.016 479 H ARG 55 H ARG 55 -17.477 3.752 0.487 480 HA ARG 55 HA ARG 55 -15.300 4.384 -1.295 481 HB2 ARG 55 2HB ARG 55 -16.266 6.637 -0.720 482 HB3 ARG 55 3HB ARG 55 -15.973 6.309 0.984 483 HG2 ARG 55 2HG ARG 55 -13.549 6.273 0.588 484 HG3 ARG 55 3HG ARG 55 -13.810 6.484 -1.147 485 HD2 ARG 55 2HD ARG 55 -14.494 8.476 1.038 486 HD3 ARG 55 3HD ARG 55 -13.179 8.610 -0.139 487 HE ARG 55 HE ARG 55 -15.736 8.336 -1.406 488 HH11 ARG 55 1HH1 ARG 55 -13.621 10.716 0.097 489 HH12 ARG 55 2HH1 ARG 55 -14.338 12.045 -0.762 490 HH21 ARG 55 1HH2 ARG 55 -16.662 10.062 -2.492 491 HH22 ARG 55 2HH2 ARG 55 -16.066 11.673 -2.231 492 H VAL 56 H VAL 56 -13.300 3.826 -0.370 493 HA VAL 56 HA VAL 56 -13.373 2.469 2.273 494 HB VAL 56 HB VAL 56 -11.410 1.111 1.441 495 HG11 VAL 56 1HG1 VAL 56 -12.732 -0.453 0.070 496 HG12 VAL 56 2HG1 VAL 56 -13.975 0.784 -0.146 497 HG13 VAL 56 3HG1 VAL 56 -13.645 0.137 1.462 498 HG21 VAL 56 3HG2 VAL 56 -10.964 0.972 -0.992 499 HG22 VAL 56 1HG2 VAL 56 -10.621 2.586 -0.366 500 HG23 VAL 56 2HG2 VAL 56 -12.101 2.292 -1.282 501 H ARG 57 H ARG 57 -11.857 3.020 3.767 502 HA ARG 57 HA ARG 57 -9.871 5.117 3.096 503 HB2 ARG 57 2HB ARG 57 -11.440 5.665 4.938 504 HB3 ARG 57 3HB ARG 57 -10.955 4.209 5.800 505 HG2 ARG 57 2HG ARG 57 -8.640 5.134 6.002 506 HG3 ARG 57 3HG ARG 57 -9.185 6.611 5.199 507 HD2 ARG 57 2HD ARG 57 -10.218 5.531 7.848 508 HD3 ARG 57 3HD ARG 57 -9.113 6.892 7.647 509 HE ARG 57 HE ARG 57 -10.929 8.099 6.534 510 HH11 ARG 57 1HH1 ARG 57 -11.891 5.332 8.487 511 HH12 ARG 57 2HH1 ARG 57 -13.507 5.909 8.725 512 HH21 ARG 57 1HH2 ARG 57 -13.052 8.829 6.843 513 HH22 ARG 57 2HH2 ARG 57 -14.160 7.892 7.790 514 H ILE 58 H ILE 58 -8.115 4.056 2.396 515 HA ILE 58 HA ILE 58 -7.103 1.639 3.729 516 HB ILE 58 HB ILE 58 -5.997 3.048 1.244 517 HG12 ILE 58 2HG1 ILE 58 -7.890 0.651 1.303 518 HG13 ILE 58 3HG1 ILE 58 -8.365 2.290 0.880 519 HG21 ILE 58 1HG2 ILE 58 -4.848 0.910 0.784 520 HG22 ILE 58 2HG2 ILE 58 -5.514 0.228 2.269 521 HG23 ILE 58 3HG2 ILE 58 -4.369 1.569 2.352 522 HD11 ILE 58 3HD1 ILE 58 -6.417 0.563 -0.654 523 HD12 ILE 58 1HD1 ILE 58 -6.889 2.215 -1.070 524 HD13 ILE 58 2HD1 ILE 58 -8.087 0.923 -1.093 525 H SER 59 H SER 59 -5.091 1.643 4.716 526 HA SER 59 HA SER 59 -3.484 4.079 4.927 527 HB2 SER 59 2HB SER 59 -4.493 2.538 7.379 528 HB3 SER 59 3HB SER 59 -3.415 3.935 7.399 529 HG SER 59 HG SER 59 -5.435 4.830 6.115 530 H ILE 60 H ILE 60 -1.726 3.176 3.964 531 HA ILE 60 HA ILE 60 -0.799 0.490 4.766 532 HB ILE 60 HB ILE 60 0.027 2.251 2.415 533 HG12 ILE 60 2HG1 ILE 60 -1.653 -0.300 2.452 534 HG13 ILE 60 3HG1 ILE 60 -2.280 1.327 2.207 535 HG21 ILE 60 1HG2 ILE 60 0.876 -0.594 3.057 536 HG22 ILE 60 2HG2 ILE 60 1.902 0.839 3.149 537 HG23 ILE 60 3HG2 ILE 60 1.287 0.296 1.588 538 HD11 ILE 60 3HD1 ILE 60 -2.122 0.169 0.111 539 HD12 ILE 60 1HD1 ILE 60 -0.408 -0.159 0.367 540 HD13 ILE 60 2HD1 ILE 60 -0.969 1.499 0.136 541 H ARG 61 H ARG 61 0.484 0.638 6.539 542 HA ARG 61 HA ARG 61 2.413 2.849 6.790 543 HB2 ARG 61 2HB ARG 61 0.900 2.171 8.757 544 HB3 ARG 61 3HB ARG 61 1.835 0.682 8.862 545 HG2 ARG 61 2HG ARG 61 3.892 2.006 9.260 546 HG3 ARG 61 3HG ARG 61 2.953 3.494 9.134 547 HD2 ARG 61 2HD ARG 61 3.203 3.149 11.452 548 HD3 ARG 61 3HD ARG 61 1.567 2.592 11.104 549 HE ARG 61 HE ARG 61 2.318 0.333 11.309 550 HH11 ARG 61 1HH1 ARG 61 4.725 2.714 12.284 551 HH12 ARG 61 2HH1 ARG 61 5.648 1.579 13.217 552 HH21 ARG 61 1HH2 ARG 61 3.551 -1.156 12.509 553 HH22 ARG 61 2HH2 ARG 61 4.980 -0.630 13.341 554 H VAL 62 H VAL 62 4.426 2.480 6.102 555 HA VAL 62 HA VAL 62 5.340 -0.275 5.618 556 HB VAL 62 HB VAL 62 5.515 1.641 3.845 557 HG11 VAL 62 1HG1 VAL 62 7.972 2.397 5.458 558 HG12 VAL 62 2HG1 VAL 62 6.508 3.378 5.311 559 HG13 VAL 62 3HG1 VAL 62 7.501 3.057 3.886 560 HG21 VAL 62 3HG2 VAL 62 6.573 -0.543 3.558 561 HG22 VAL 62 1HG2 VAL 62 7.982 0.001 4.472 562 HG23 VAL 62 2HG2 VAL 62 7.599 0.740 2.913 563 H LYS 63 H LYS 63 7.091 -1.123 6.762 564 HA LYS 63 HA LYS 63 7.779 0.199 9.251 565 HB2 LYS 63 2HB LYS 63 7.426 -2.300 9.085 566 HB3 LYS 63 3HB LYS 63 8.924 -2.400 8.164 567 HG2 LYS 63 2HG LYS 63 10.055 -1.257 10.199 568 HG3 LYS 63 3HG LYS 63 8.559 -1.605 11.073 569 HD2 LYS 63 2HD LYS 63 10.125 -3.370 11.547 570 HD3 LYS 63 3HD LYS 63 8.867 -4.036 10.499 571 HE2 LYS 63 2HE LYS 63 11.004 -4.841 9.715 572 HE3 LYS 63 3HE LYS 63 10.417 -3.672 8.534 573 HZ1 LYS 63 3HZ LYS 63 12.743 -3.340 8.983 574 HZ2 LYS 63 1HZ LYS 63 12.451 -3.187 10.639 575 HZ3 LYS 63 2HZ LYS 63 11.876 -2.013 9.572 576 H HIS 64 H HIS 64 9.662 1.175 9.731 577 HA HIS 64 HA HIS 64 11.501 1.839 7.563 578 HB2 HIS 64 2HB HIS 64 11.214 2.828 10.430 579 HB3 HIS 64 3HB HIS 64 12.451 3.412 9.316 580 HD1 HIS 64 HD1 HIS 64 9.318 4.459 10.524 581 HD2 HIS 64 HD2 HIS 64 10.946 4.238 6.702 582 HE1 HIS 64 HE1 HIS 64 7.999 6.060 9.114 583 HE2 HIS 64 HE2 HIS 64 9.118 6.049 6.876 584 H SER 65 H SER 65 13.242 0.658 7.201 585 HA SER 65 HA SER 65 13.887 -1.646 8.699 586 HB2 SER 65 2HB SER 65 15.806 -1.806 7.036 587 HB3 SER 65 3HB SER 65 14.205 -1.655 6.318 588 HG SER 65 HG SER 65 16.317 0.175 6.367 589 H ASP 66 H ASP 66 15.896 1.224 8.025 590 HA ASP 66 HA ASP 66 17.146 1.156 10.669 591 HB2 ASP 66 2HB ASP 66 18.588 -0.365 9.351 592 HB3 ASP 66 3HB ASP 66 18.739 0.835 8.074 593 H ALA 67 H ALA 67 17.905 3.219 11.246 594 HA ALA 67 HA ALA 67 16.445 5.359 10.278 595 HB1 ALA 67 3HB ALA 67 17.371 5.249 12.536 596 HB2 ALA 67 1HB ALA 67 17.808 6.768 11.750 597 HB3 ALA 67 2HB ALA 67 19.000 5.471 11.898 598 H ALA 68 H ALA 68 19.720 4.382 9.363 599 HA ALA 68 HA ALA 68 20.398 6.734 7.886 600 HB1 ALA 68 3HB ALA 68 22.250 5.385 6.984 601 HB2 ALA 68 1HB ALA 68 21.512 3.920 7.646 602 HB3 ALA 68 2HB ALA 68 22.103 5.179 8.731 603 H GLU 69 H GLU 69 18.931 3.624 7.014 604 HA GLU 69 HA GLU 69 18.967 4.045 4.163 605 HB2 GLU 69 2HB GLU 69 17.361 2.029 5.801 606 HB3 GLU 69 3HB GLU 69 17.603 1.981 4.056 607 HG2 GLU 69 2HG GLU 69 20.047 1.651 4.439 608 HG3 GLU 69 3HG GLU 69 19.745 1.613 6.178 609 H GLU 70 H GLU 70 16.536 4.396 6.730 610 HA GLU 70 HA GLU 70 14.331 4.063 4.974 611 HB2 GLU 70 2HB GLU 70 12.937 4.454 6.986 612 HB3 GLU 70 3HB GLU 70 14.188 3.252 7.220 613 HG2 GLU 70 2HG GLU 70 14.137 4.439 9.224 614 HG3 GLU 70 3HG GLU 70 15.544 5.062 8.377 615 H LYS 71 H LYS 71 16.008 6.927 5.956 616 HA LYS 71 HA LYS 71 14.016 8.861 5.365 617 HB2 LYS 71 2HB LYS 71 17.040 9.116 5.014 618 HB3 LYS 71 3HB LYS 71 15.893 10.449 5.164 619 HG2 LYS 71 2HG LYS 71 15.368 9.731 7.470 620 HG3 LYS 71 3HG LYS 71 16.518 8.399 7.311 621 HD2 LYS 71 2HD LYS 71 18.357 10.053 7.008 622 HD3 LYS 71 3HD LYS 71 17.192 11.368 7.216 623 HE2 LYS 71 2HE LYS 71 17.916 9.261 9.282 624 HE3 LYS 71 3HE LYS 71 18.385 10.961 9.315 625 HZ1 LYS 71 3HZ LYS 71 15.611 9.910 9.510 626 HZ2 LYS 71 1HZ LYS 71 16.030 11.547 9.504 627 HZ3 LYS 71 2HZ LYS 71 16.520 10.552 10.778 628 H LYS 72 H LYS 72 16.457 7.222 3.408 629 HA LYS 72 HA LYS 72 15.796 8.537 0.926 630 HB2 LYS 72 2HB LYS 72 18.113 7.792 1.445 631 HB3 LYS 72 3HB LYS 72 17.570 6.122 1.510 632 HG2 LYS 72 2HG LYS 72 18.702 6.543 -0.596 633 HG3 LYS 72 3HG LYS 72 16.991 6.221 -0.897 634 HD2 LYS 72 2HD LYS 72 16.585 8.667 -1.109 635 HD3 LYS 72 3HD LYS 72 18.305 8.970 -0.833 636 HE2 LYS 72 2HE LYS 72 17.132 7.403 -3.157 637 HE3 LYS 72 3HE LYS 72 17.733 9.059 -3.231 638 HZ1 LYS 72 3HZ LYS 72 19.332 7.388 -4.039 639 HZ2 LYS 72 1HZ LYS 72 19.401 6.710 -2.496 640 HZ3 LYS 72 2HZ LYS 72 19.938 8.292 -2.749 641 H GLU 73 H GLU 73 15.116 5.420 2.486 642 HA GLU 73 HA GLU 73 14.115 4.154 0.119 643 HB2 GLU 73 2HB GLU 73 13.987 3.285 3.031 644 HB3 GLU 73 3HB GLU 73 13.461 2.289 1.676 645 HG2 GLU 73 2HG GLU 73 16.278 3.239 2.267 646 HG3 GLU 73 3HG GLU 73 15.668 1.589 2.352 647 H ALA 74 H ALA 74 12.564 5.844 2.849 648 HA ALA 74 HA ALA 74 9.884 5.082 2.134 649 HB1 ALA 74 3HB ALA 74 10.827 7.395 3.863 650 HB2 ALA 74 1HB ALA 74 10.446 5.766 4.429 651 HB3 ALA 74 2HB ALA 74 9.173 6.785 3.755 652 H LYS 75 H LYS 75 11.987 7.846 1.423 653 HA LYS 75 HA LYS 75 10.148 9.411 -0.061 654 HB2 LYS 75 2HB LYS 75 12.323 10.282 0.793 655 HB3 LYS 75 3HB LYS 75 13.184 9.274 -0.368 656 HG2 LYS 75 2HG LYS 75 12.191 10.536 -2.233 657 HG3 LYS 75 3HG LYS 75 11.242 11.500 -1.096 658 HD2 LYS 75 2HD LYS 75 13.309 12.451 -0.150 659 HD3 LYS 75 3HD LYS 75 14.282 11.454 -1.239 660 HE2 LYS 75 2HE LYS 75 14.093 13.765 -2.079 661 HE3 LYS 75 3HE LYS 75 13.318 12.629 -3.184 662 HZ1 LYS 75 3HZ LYS 75 11.168 13.247 -2.268 663 HZ2 LYS 75 1HZ LYS 75 11.973 14.625 -2.826 664 HZ3 LYS 75 2HZ LYS 75 11.897 14.301 -1.172 665 H LYS 76 H LYS 76 12.388 6.842 -0.999 666 HA LYS 76 HA LYS 76 11.847 6.787 -3.787 667 HB2 LYS 76 2HB LYS 76 13.879 5.811 -2.843 668 HB3 LYS 76 3HB LYS 76 12.953 4.678 -1.880 669 HG2 LYS 76 2HG LYS 76 12.727 4.555 -4.887 670 HG3 LYS 76 3HG LYS 76 14.188 3.933 -4.127 671 HD2 LYS 76 2HD LYS 76 11.360 2.988 -3.506 672 HD3 LYS 76 3HD LYS 76 12.485 2.174 -4.593 673 HE2 LYS 76 2HE LYS 76 12.990 2.633 -1.628 674 HE3 LYS 76 3HE LYS 76 12.382 1.134 -2.331 675 HZ1 LYS 76 3HZ LYS 76 14.762 1.024 -1.951 676 HZ2 LYS 76 1HZ LYS 76 15.014 2.373 -2.942 677 HZ3 LYS 76 2HZ LYS 76 14.426 0.936 -3.606 678 H PHE 77 H PHE 77 10.375 5.234 -0.962 679 HA PHE 77 HA PHE 77 8.761 3.352 -2.409 680 HB2 PHE 77 2HB PHE 77 9.611 3.012 -0.054 681 HB3 PHE 77 3HB PHE 77 8.503 4.258 0.496 682 HD1 PHE 77 HD1 PHE 77 8.558 0.946 -1.280 683 HD2 PHE 77 HD2 PHE 77 6.329 3.607 1.228 684 HE1 PHE 77 HE1 PHE 77 6.830 -0.770 -0.967 685 HE2 PHE 77 HE2 PHE 77 4.608 1.871 1.522 686 HZ PHE 77 HZ PHE 77 4.859 -0.319 0.428 687 H ALA 78 H ALA 78 8.401 6.645 -1.351 688 HA ALA 78 HA ALA 78 5.603 6.955 -1.537 689 HB1 ALA 78 3HB ALA 78 6.084 9.359 -1.817 690 HB2 ALA 78 1HB ALA 78 7.789 8.991 -2.108 691 HB3 ALA 78 2HB ALA 78 7.067 8.656 -0.532 692 H ALA 79 H ALA 79 8.208 7.323 -3.948 693 HA ALA 79 HA ALA 79 6.594 7.946 -6.187 694 HB1 ALA 79 3HB ALA 79 9.000 8.428 -6.098 695 HB2 ALA 79 1HB ALA 79 8.609 7.445 -7.510 696 HB3 ALA 79 2HB ALA 79 9.362 6.701 -6.094 697 H ILE 80 H ILE 80 7.855 4.871 -4.904 698 HA ILE 80 HA ILE 80 7.065 3.055 -6.875 699 HB ILE 80 HB ILE 80 7.280 2.719 -3.850 700 HG12 ILE 80 2HG1 ILE 80 9.399 3.315 -4.983 701 HG13 ILE 80 3HG1 ILE 80 9.472 1.705 -4.290 702 HG21 ILE 80 1HG2 ILE 80 7.404 0.280 -4.160 703 HG22 ILE 80 2HG2 ILE 80 7.036 0.475 -5.873 704 HG23 ILE 80 3HG2 ILE 80 5.839 0.920 -4.660 705 HD11 ILE 80 3HD1 ILE 80 10.570 1.801 -6.437 706 HD12 ILE 80 1HD1 ILE 80 9.090 2.363 -7.210 707 HD13 ILE 80 2HD1 ILE 80 9.168 0.738 -6.522 708 H LEU 81 H LEU 81 5.260 4.234 -4.031 709 HA LEU 81 HA LEU 81 2.893 2.720 -4.428 710 HB2 LEU 81 2HB LEU 81 3.578 5.170 -2.789 711 HB3 LEU 81 3HB LEU 81 1.928 4.574 -2.844 712 HG LEU 81 HG LEU 81 4.317 2.963 -1.856 713 HD11 LEU 81 1HD1 LEU 81 2.115 4.320 -0.279 714 HD12 LEU 81 2HD1 LEU 81 3.808 4.815 -0.349 715 HD13 LEU 81 3HD1 LEU 81 3.375 3.273 0.382 716 HD21 LEU 81 3HD2 LEU 81 2.660 1.349 -1.049 717 HD22 LEU 81 1HD2 LEU 81 2.549 1.535 -2.798 718 HD23 LEU 81 2HD2 LEU 81 1.353 2.306 -1.753 719 H ASN 82 H ASN 82 3.872 5.979 -5.434 720 HA ASN 82 HA ASN 82 1.371 6.965 -6.309 721 HB2 ASN 82 2HB ASN 82 4.222 7.687 -7.082 722 HB3 ASN 82 3HB ASN 82 2.839 8.524 -7.786 723 HD21 ASN 82 1HD2 ASN 82 5.006 9.476 -5.992 724 HD22 ASN 82 2HD2 ASN 82 4.194 10.202 -4.651 725 H LYS 83 H LYS 83 3.798 5.002 -7.953 726 HA LYS 83 HA LYS 83 2.608 4.935 -10.525 727 HB2 LYS 83 2HB LYS 83 4.280 2.742 -9.219 728 HB3 LYS 83 3HB LYS 83 4.008 2.964 -10.945 729 HG2 LYS 83 2HG LYS 83 5.608 4.759 -9.102 730 HG3 LYS 83 3HG LYS 83 6.240 3.705 -10.367 731 HD2 LYS 83 2HD LYS 83 5.160 5.099 -12.091 732 HD3 LYS 83 3HD LYS 83 4.450 6.128 -10.842 733 HE2 LYS 83 2HE LYS 83 6.437 7.193 -11.823 734 HE3 LYS 83 3HE LYS 83 6.716 6.815 -10.122 735 HZ1 LYS 83 3HZ LYS 83 8.607 6.259 -11.560 736 HZ2 LYS 83 1HZ LYS 83 7.651 5.147 -12.399 737 HZ3 LYS 83 2HZ LYS 83 7.998 4.899 -10.765 738 H VAL 84 H VAL 84 2.255 2.832 -7.669 739 HA VAL 84 HA VAL 84 0.805 0.744 -8.939 740 HB VAL 84 HB VAL 84 1.171 1.460 -5.994 741 HG11 VAL 84 1HG1 VAL 84 0.445 -0.853 -5.454 742 HG12 VAL 84 2HG1 VAL 84 0.000 -1.099 -7.143 743 HG13 VAL 84 3HG1 VAL 84 -0.857 0.098 -6.172 744 HG21 VAL 84 3HG2 VAL 84 3.254 0.886 -7.178 745 HG22 VAL 84 1HG2 VAL 84 2.541 -0.633 -7.726 746 HG23 VAL 84 2HG2 VAL 84 2.841 -0.366 -6.006 747 H PHE 85 H PHE 85 -0.223 3.369 -6.759 748 HA PHE 85 HA PHE 85 -2.990 2.802 -6.764 749 HB2 PHE 85 2HB PHE 85 -1.600 5.466 -6.250 750 HB3 PHE 85 3HB PHE 85 -3.290 5.124 -5.882 751 HD1 PHE 85 HD1 PHE 85 -3.240 2.464 -4.663 752 HD2 PHE 85 HD2 PHE 85 -0.486 5.707 -4.181 753 HE1 PHE 85 HE1 PHE 85 -2.601 1.604 -2.449 754 HE2 PHE 85 HE2 PHE 85 0.144 4.830 -1.974 755 HZ PHE 85 HZ PHE 85 -0.907 2.784 -1.110 756 H ALA 86 H ALA 86 -0.994 4.739 -8.944 757 HA ALA 86 HA ALA 86 -3.079 5.906 -10.490 758 HB1 ALA 86 3HB ALA 86 -0.787 6.782 -10.514 759 HB2 ALA 86 1HB ALA 86 -1.318 6.373 -12.147 760 HB3 ALA 86 2HB ALA 86 -0.212 5.300 -11.280 761 H GLU 87 H GLU 87 -1.505 2.777 -10.537 762 HA GLU 87 HA GLU 87 -2.584 1.947 -13.118 763 HB2 GLU 87 2HB GLU 87 -0.915 0.498 -11.016 764 HB3 GLU 87 3HB GLU 87 -1.441 -0.251 -12.524 765 HG2 GLU 87 2HG GLU 87 -0.148 1.343 -13.831 766 HG3 GLU 87 3HG GLU 87 0.279 2.246 -12.380 767 H LEU 88 H LEU 88 -3.793 2.066 -9.947 768 HA LEU 88 HA LEU 88 -5.532 -0.314 -10.306 769 HB2 LEU 88 2HB LEU 88 -4.655 1.070 -7.747 770 HB3 LEU 88 3HB LEU 88 -5.868 -0.199 -7.808 771 HG LEU 88 HG LEU 88 -2.929 -0.526 -8.547 772 HD11 LEU 88 1HD1 LEU 88 -2.760 -1.888 -6.521 773 HD12 LEU 88 2HD1 LEU 88 -4.449 -1.549 -6.132 774 HD13 LEU 88 3HD1 LEU 88 -3.263 -0.241 -6.143 775 HD21 LEU 88 3HD2 LEU 88 -3.400 -2.936 -8.709 776 HD22 LEU 88 1HD2 LEU 88 -4.324 -2.022 -9.899 777 HD23 LEU 88 2HD2 LEU 88 -5.119 -2.632 -8.446 778 H GLY 89 H GLY 89 -5.509 3.130 -10.142 779 HA2 GLY 89 2HA GLY 89 -7.319 4.414 -10.946 780 HA3 GLY 89 3HA GLY 89 -8.445 3.166 -10.444 781 H TYR 90 H TYR 90 -5.889 4.936 -8.709 782 HA TYR 90 HA TYR 90 -7.904 6.197 -6.937 783 HB2 TYR 90 2HB TYR 90 -5.111 5.302 -6.059 784 HB3 TYR 90 3HB TYR 90 -6.361 6.002 -5.037 785 HD1 TYR 90 HD2 TYR 90 -8.718 4.586 -5.188 786 HD2 TYR 90 HD1 TYR 90 -4.800 2.990 -5.826 787 HE1 TYR 90 HE2 TYR 90 -9.545 2.324 -4.684 788 HE2 TYR 90 HE1 TYR 90 -5.631 0.737 -5.319 789 HH TYR 90 HH TYR 90 -7.503 -0.308 -4.106 790 H ASN 91 H ASN 91 -7.616 8.376 -6.667 791 HA ASN 91 HA ASN 91 -5.959 9.729 -8.607 792 HB2 ASN 91 2HB ASN 91 -7.833 10.868 -6.486 793 HB3 ASN 91 3HB ASN 91 -7.150 11.759 -7.844 794 HD21 ASN 91 1HD2 ASN 91 -7.975 11.382 -9.931 795 HD22 ASN 91 2HD2 ASN 91 -9.450 10.526 -10.192 796 H ASP 92 H ASP 92 -4.588 11.610 -8.065 797 HA ASP 92 HA ASP 92 -2.489 10.899 -6.348 798 HB2 ASP 92 2HB ASP 92 -3.089 13.630 -7.569 799 HB3 ASP 92 3HB ASP 92 -1.535 13.116 -6.928 800 H SER 93 H SER 93 -4.950 13.461 -5.992 801 HA SER 93 HA SER 93 -4.236 14.550 -3.530 802 HB2 SER 93 2HB SER 93 -6.637 15.288 -3.406 803 HB3 SER 93 3HB SER 93 -5.894 15.599 -4.976 804 HG SER 93 HG SER 93 -7.670 13.481 -4.294 805 H ASN 94 H ASN 94 -6.070 11.647 -4.252 806 HA ASN 94 HA ASN 94 -7.201 11.149 -1.696 807 HB2 ASN 94 2HB ASN 94 -6.552 9.233 -3.979 808 HB3 ASN 94 3HB ASN 94 -7.532 8.817 -2.575 809 HD21 ASN 94 1HD2 ASN 94 -9.318 8.336 -3.892 810 HD22 ASN 94 2HD2 ASN 94 -10.241 9.560 -4.689 811 H VAL 95 H VAL 95 -4.046 10.616 -3.039 812 HA VAL 95 HA VAL 95 -3.126 8.818 -0.905 813 HB VAL 95 HB VAL 95 -1.589 10.027 -3.264 814 HG11 VAL 95 1HG1 VAL 95 -0.102 9.253 -1.460 815 HG12 VAL 95 2HG1 VAL 95 0.059 8.238 -2.893 816 HG13 VAL 95 3HG1 VAL 95 -0.861 7.657 -1.503 817 HG21 VAL 95 3HG2 VAL 95 -3.447 8.669 -4.110 818 HG22 VAL 95 1HG2 VAL 95 -2.939 7.306 -3.106 819 HG23 VAL 95 2HG2 VAL 95 -1.907 7.865 -4.426 820 H THR 96 H THR 96 -2.565 9.845 0.999 821 HA THR 96 HA THR 96 -0.796 12.211 0.908 822 HB THR 96 HB THR 96 -3.273 12.064 2.696 823 HG1 THR 96 HG1 THR 96 -2.838 13.191 0.176 824 HG21 THR 96 3HG2 THR 96 -2.734 14.406 3.278 825 HG22 THR 96 1HG2 THR 96 -1.277 14.326 2.294 826 HG23 THR 96 2HG2 THR 96 -1.417 13.324 3.743 827 H TRP 97 H TRP 97 0.883 11.979 2.305 828 HA TRP 97 HA TRP 97 0.990 9.720 4.155 829 HB2 TRP 97 2HB TRP 97 3.071 11.787 3.330 830 HB3 TRP 97 3HB TRP 97 3.384 10.503 4.495 831 HD1 TRP 97 HD1 TRP 97 2.460 10.895 0.733 832 HE1 TRP 97 HE1 TRP 97 3.416 8.870 -0.534 833 HE3 TRP 97 HE3 TRP 97 4.254 8.196 4.710 834 HZ2 TRP 97 HZ2 TRP 97 4.751 6.456 0.060 835 HZ3 TRP 97 HZ3 TRP 97 5.358 6.035 4.269 836 HH2 TRP 97 HH2 TRP 97 5.601 5.181 1.987 837 H ASP 98 H ASP 98 1.009 9.864 6.338 838 HA ASP 98 HA ASP 98 1.467 12.174 7.916 839 HB2 ASP 98 2HB ASP 98 -0.794 12.821 7.147 840 HB3 ASP 98 3HB ASP 98 -1.437 11.260 7.642 841 H GLY 99 H GLY 99 2.343 11.377 9.711 842 HA2 GLY 99 2HA GLY 99 2.746 10.137 11.582 843 HA3 GLY 99 3HA GLY 99 1.169 9.388 11.371 844 H ASP 100 H ASP 100 4.206 9.423 9.532 845 HA ASP 100 HA ASP 100 5.307 7.917 8.291 846 HB2 ASP 100 2HB ASP 100 6.467 6.201 9.508 847 HB3 ASP 100 3HB ASP 100 6.308 7.609 10.533 848 H THR 101 H THR 101 2.491 7.738 7.991 849 HA THR 101 HA THR 101 2.142 5.027 6.867 850 HB THR 101 HB THR 101 0.034 6.594 8.445 851 HG1 THR 101 HG1 THR 101 1.885 5.423 9.584 852 HG21 THR 101 3HG2 THR 101 -0.113 3.778 7.300 853 HG22 THR 101 1HG2 THR 101 -0.987 5.186 6.678 854 HG23 THR 101 2HG2 THR 101 -1.349 4.556 8.286 855 H VAL 102 H VAL 102 0.931 5.098 4.873 856 HA VAL 102 HA VAL 102 0.237 7.803 3.889 857 HB VAL 102 HB VAL 102 1.811 6.562 2.422 858 HG11 VAL 102 1HG1 VAL 102 1.140 4.251 2.792 859 HG12 VAL 102 2HG1 VAL 102 1.058 4.635 1.073 860 HG13 VAL 102 3HG1 VAL 102 -0.422 4.551 2.026 861 HG21 VAL 102 3HG2 VAL 102 0.617 6.963 0.295 862 HG22 VAL 102 1HG2 VAL 102 0.334 8.260 1.461 863 HG23 VAL 102 2HG2 VAL 102 -0.913 7.044 1.174 864 H THR 103 H THR 103 -1.836 8.322 3.887 865 HA THR 103 HA THR 103 -3.938 6.312 4.275 866 HB THR 103 HB THR 103 -4.102 9.356 4.529 867 HG1 THR 103 HG1 THR 103 -2.717 7.891 6.070 868 HG21 THR 103 3HG2 THR 103 -6.168 8.930 5.801 869 HG22 THR 103 1HG2 THR 103 -5.976 7.193 5.584 870 HG23 THR 103 2HG2 THR 103 -6.305 8.226 4.187 871 H VAL 104 H VAL 104 -4.764 5.644 2.378 872 HA VAL 104 HA VAL 104 -5.120 7.540 0.125 873 HB VAL 104 HB VAL 104 -4.648 4.525 -0.064 874 HG11 VAL 104 1HG1 VAL 104 -6.040 5.373 -1.914 875 HG12 VAL 104 2HG1 VAL 104 -4.443 4.908 -2.503 876 HG13 VAL 104 3HG1 VAL 104 -4.835 6.614 -2.273 877 HG21 VAL 104 3HG2 VAL 104 -2.437 5.091 -0.997 878 HG22 VAL 104 1HG2 VAL 104 -2.601 5.662 0.663 879 HG23 VAL 104 2HG2 VAL 104 -2.732 6.799 -0.682 880 H GLU 105 H GLU 105 -7.220 7.880 -0.319 881 HA GLU 105 HA GLU 105 -9.220 5.822 0.435 882 HB2 GLU 105 2HB GLU 105 -10.899 7.654 0.325 883 HB3 GLU 105 3HB GLU 105 -9.654 7.947 1.532 884 HG2 GLU 105 2HG GLU 105 -8.522 9.507 -0.041 885 HG3 GLU 105 3HG GLU 105 -9.816 9.243 -1.209 886 H GLY 106 H GLY 106 -10.818 5.245 -1.083 887 HA2 GLY 106 2HA GLY 106 -10.663 6.343 -3.815 888 HA3 GLY 106 3HA GLY 106 -10.440 4.605 -3.603 889 H GLN 107 H GLN 107 -12.650 6.479 -4.760 890 HA GLN 107 HA GLN 107 -15.012 5.983 -3.241 891 HB2 GLN 107 2HB GLN 107 -14.746 7.821 -4.947 892 HB3 GLN 107 3HB GLN 107 -14.719 6.610 -6.222 893 HG2 GLN 107 2HG GLN 107 -16.912 7.612 -6.152 894 HG3 GLN 107 3HG GLN 107 -17.044 5.947 -5.584 895 HE21 GLN 107 1HE2 GLN 107 -18.953 6.331 -4.444 896 HE22 GLN 107 2HE2 GLN 107 -19.009 7.277 -2.999 897 H LEU 108 H LEU 108 -15.543 3.890 -2.827 898 HA LEU 108 HA LEU 108 -14.629 1.655 -4.335 899 HB2 LEU 108 2HB LEU 108 -15.074 1.844 -1.813 900 HB3 LEU 108 3HB LEU 108 -16.772 1.668 -2.170 901 HG LEU 108 HG LEU 108 -15.630 -0.386 -1.281 902 HD11 LEU 108 1HD1 LEU 108 -17.743 -0.557 -2.536 903 HD12 LEU 108 2HD1 LEU 108 -16.731 -1.983 -2.671 904 HD13 LEU 108 3HD1 LEU 108 -16.824 -0.848 -4.016 905 HD21 LEU 108 3HD2 LEU 108 -13.473 -0.118 -2.392 906 HD22 LEU 108 1HD2 LEU 108 -14.219 -0.446 -3.959 907 HD23 LEU 108 2HD2 LEU 108 -14.170 -1.703 -2.719 908 H GLU 109 H GLU 109 -15.844 0.119 -5.531 909 HA GLU 109 HA GLU 109 -17.327 -0.673 -7.036 910 HB2 GLU 109 2HB GLU 109 -19.133 -0.371 -5.419 911 HB3 GLU 109 3HB GLU 109 -19.243 1.339 -5.800 912 HG2 GLU 109 2HG GLU 109 -19.974 0.679 -8.134 913 HG3 GLU 109 3HG GLU 109 -20.050 -0.988 -7.563 914 H GLY 110 H GLY 110 -18.301 2.773 -7.033 915 HA2 GLY 110 2HA GLY 110 -17.638 3.095 -9.847 916 HA3 GLY 110 3HA GLY 110 -18.291 4.317 -8.763 917 H VAL 111 H VAL 111 -15.330 2.420 -9.303 918 HA VAL 111 HA VAL 111 -13.674 4.222 -7.796 919 HB VAL 111 HB VAL 111 -11.761 2.711 -8.549 920 HG11 VAL 111 1HG1 VAL 111 -12.430 0.803 -7.115 921 HG12 VAL 111 2HG1 VAL 111 -14.109 1.351 -7.172 922 HG13 VAL 111 3HG1 VAL 111 -12.881 2.353 -6.397 923 HG21 VAL 111 3HG2 VAL 111 -12.310 0.524 -9.580 924 HG22 VAL 111 1HG2 VAL 111 -12.695 1.861 -10.667 925 HG23 VAL 111 2HG2 VAL 111 -13.987 1.039 -9.789 926 H ASP 112 H ASP 112 -14.261 6.112 -9.049 927 HA ASP 112 HA ASP 112 -12.114 7.035 -10.643 928 HB2 ASP 112 2HB ASP 112 -13.341 5.839 -12.483 929 HB3 ASP 112 3HB ASP 112 -14.783 6.784 -12.134 930 H LEU 113 H LEU 113 -12.081 9.274 -10.621 931 HA LEU 113 HA LEU 113 -14.481 10.737 -9.665 932 HB2 LEU 113 2HB LEU 113 -11.571 11.289 -8.930 933 HB3 LEU 113 3HB LEU 113 -12.927 12.319 -8.494 934 HG LEU 113 HG LEU 113 -12.486 9.468 -7.516 935 HD11 LEU 113 1HD1 LEU 113 -12.224 12.079 -5.997 936 HD12 LEU 113 2HD1 LEU 113 -10.896 11.042 -6.526 937 HD13 LEU 113 3HD1 LEU 113 -12.045 10.452 -5.329 938 HD21 LEU 113 3HD2 LEU 113 -14.881 9.961 -7.701 939 HD22 LEU 113 1HD2 LEU 113 -14.674 11.429 -6.739 940 HD23 LEU 113 2HD2 LEU 113 -14.391 9.842 -6.015 941 H GLU 114 H GLU 114 -11.694 10.577 -11.775 942 HA GLU 114 HA GLU 114 -11.986 13.286 -12.817 943 HB2 GLU 114 2HB GLU 114 -10.017 11.047 -13.421 944 HB3 GLU 114 3HB GLU 114 -10.002 12.592 -14.265 945 HG2 GLU 114 2HG GLU 114 -9.613 13.754 -12.114 946 HG3 GLU 114 3HG GLU 114 -9.595 12.198 -11.286 947 H HIS 115 H HIS 115 -14.078 13.083 -13.736 948 HA HIS 115 HA HIS 115 -14.271 11.575 -16.268 949 HB2 HIS 115 2HB HIS 115 -16.716 12.274 -16.177 950 HB3 HIS 115 3HB HIS 115 -16.192 11.204 -14.884 951 HD1 HIS 115 HD1 HIS 115 -16.997 14.875 -15.477 952 HD2 HIS 115 HD2 HIS 115 -16.736 12.159 -12.348 953 HE1 HIS 115 HE1 HIS 115 -17.864 16.083 -13.459 954 HE2 HIS 115 HE2 HIS 115 -17.876 14.353 -11.640 955 H HIS 116 H HIS 116 -12.577 13.037 -17.097 956 HA HIS 116 HA HIS 116 -13.060 15.867 -17.356 957 HB2 HIS 116 2HB HIS 116 -10.925 14.115 -18.645 958 HB3 HIS 116 3HB HIS 116 -10.969 15.871 -18.753 959 HD1 HIS 116 HD1 HIS 116 -10.679 17.168 -16.405 960 HD2 HIS 116 HD2 HIS 116 -9.625 13.150 -16.444 961 HE1 HIS 116 HE1 HIS 116 -9.218 16.826 -14.389 962 HE2 HIS 116 HE2 HIS 116 -8.472 14.436 -14.537 963 H HIS 117 H HIS 117 -14.127 16.901 -18.897 964 HA HIS 117 HA HIS 117 -14.308 15.771 -21.634 965 HB2 HIS 117 2HB HIS 117 -16.323 17.436 -20.085 966 HB3 HIS 117 3HB HIS 117 -16.356 17.363 -21.841 967 HD1 HIS 117 HD1 HIS 117 -17.571 15.423 -22.876 968 HD2 HIS 117 HD2 HIS 117 -16.841 14.818 -18.821 969 HE1 HIS 117 HE1 HIS 117 -18.841 13.353 -22.258 970 HE2 HIS 117 HE2 HIS 117 -18.507 13.094 -19.785 971 H HIS 118 H HIS 118 -12.450 16.677 -22.395 972 HA HIS 118 HA HIS 118 -12.057 19.602 -22.171 973 HB2 HIS 118 2HB HIS 118 -9.672 19.194 -22.526 974 HB3 HIS 118 3HB HIS 118 -10.238 18.175 -21.212 975 HD1 HIS 118 HD1 HIS 118 -8.646 18.041 -24.557 976 HD2 HIS 118 HD2 HIS 118 -10.317 15.359 -21.853 977 HE1 HIS 118 HE1 HIS 118 -7.906 15.764 -25.308 978 HE2 HIS 118 HE2 HIS 118 -9.027 14.164 -23.738 979 H HIS 119 H HIS 119 -12.475 20.753 -23.962 980 HA HIS 119 HA HIS 119 -12.893 19.494 -26.531 981 HB2 HIS 119 2HB HIS 119 -13.396 21.830 -27.327 982 HB3 HIS 119 3HB HIS 119 -14.384 21.308 -25.974 983 HD1 HIS 119 HD1 HIS 119 -14.044 22.518 -23.707 984 HD2 HIS 119 HD2 HIS 119 -11.748 24.071 -26.806 985 HE1 HIS 119 HE1 HIS 119 -13.213 24.742 -22.894 986 HE2 HIS 119 HE2 HIS 119 -11.746 25.609 -24.737 987 H HIS 120 H HIS 120 -11.364 19.111 -27.994 988 HA HIS 120 HA HIS 120 -9.367 18.881 -29.021 989 HB2 HIS 120 2HB HIS 120 -9.813 21.115 -29.919 990 HB3 HIS 120 3HB HIS 120 -9.193 21.877 -28.460 991 HD1 HIS 120 HD1 HIS 120 -6.663 22.157 -28.251 992 HD2 HIS 120 HD2 HIS 120 -7.786 20.135 -31.701 993 HE1 HIS 120 HE1 HIS 120 -4.609 22.093 -29.699 994 HE2 HIS 120 HE2 HIS 120 -5.274 20.721 -31.693 Start of MODEL 2 1 H1 MET 1 1H MET 1 18.790 -2.588 -0.962 2 H2 MET 1 2H MET 1 17.740 -2.266 -2.243 3 H3 MET 1 3H MET 1 18.582 -1.001 -1.506 4 HA MET 1 HA MET 1 19.540 -1.589 -3.646 5 HB2 MET 1 2HB MET 1 21.305 -2.320 -1.269 6 HB3 MET 1 3HB MET 1 21.902 -1.897 -2.867 7 HG2 MET 1 2HG MET 1 21.031 0.371 -2.613 8 HG3 MET 1 3HG MET 1 20.353 -0.048 -1.037 9 HE1 MET 1 3HE MET 1 23.683 -0.774 1.013 10 HE2 MET 1 1HE MET 1 22.727 -1.952 0.115 11 HE3 MET 1 2HE MET 1 21.923 -0.734 1.108 12 H SER 2 H SER 2 20.543 -4.132 -1.362 13 HA SER 2 HA SER 2 20.221 -6.234 -3.389 14 HB2 SER 2 2HB SER 2 22.305 -6.128 -1.998 15 HB3 SER 2 3HB SER 2 21.336 -6.342 -0.543 16 HG SER 2 HG SER 2 21.820 -8.364 -0.930 17 H GLY 3 H GLY 3 19.409 -8.404 -1.828 18 HA2 GLY 3 2HA GLY 3 16.621 -8.237 -1.782 19 HA3 GLY 3 3HA GLY 3 17.571 -9.481 -0.988 20 H LYS 4 H LYS 4 15.332 -7.126 -0.459 21 HA LYS 4 HA LYS 4 16.016 -6.751 2.385 22 HB2 LYS 4 2HB LYS 4 16.796 -4.798 0.892 23 HB3 LYS 4 3HB LYS 4 15.101 -4.478 0.568 24 HG2 LYS 4 2HG LYS 4 15.431 -2.982 2.273 25 HG3 LYS 4 3HG LYS 4 14.952 -4.375 3.233 26 HD2 LYS 4 2HD LYS 4 17.844 -3.563 2.705 27 HD3 LYS 4 3HD LYS 4 16.928 -3.082 4.126 28 HE2 LYS 4 2HE LYS 4 18.139 -4.887 4.950 29 HE3 LYS 4 3HE LYS 4 16.643 -5.686 4.481 30 HZ1 LYS 4 3HZ LYS 4 18.460 -6.988 3.727 31 HZ2 LYS 4 1HZ LYS 4 19.213 -5.658 3.006 32 HZ3 LYS 4 2HZ LYS 4 17.787 -6.275 2.356 33 H LYS 5 H LYS 5 14.288 -6.866 3.733 34 HA LYS 5 HA LYS 5 11.627 -7.401 2.579 35 HB2 LYS 5 2HB LYS 5 12.643 -9.133 4.057 36 HB3 LYS 5 3HB LYS 5 12.710 -7.965 5.371 37 HG2 LYS 5 2HG LYS 5 10.132 -7.786 5.114 38 HG3 LYS 5 3HG LYS 5 10.253 -9.232 4.110 39 HD2 LYS 5 2HD LYS 5 9.686 -9.883 6.394 40 HD3 LYS 5 3HD LYS 5 11.322 -10.437 6.025 41 HE2 LYS 5 2HE LYS 5 12.255 -8.501 7.255 42 HE3 LYS 5 3HE LYS 5 10.620 -7.933 7.602 43 HZ1 LYS 5 3HZ LYS 5 11.771 -10.511 8.533 44 HZ2 LYS 5 1HZ LYS 5 10.224 -9.933 8.879 45 HZ3 LYS 5 2HZ LYS 5 11.580 -9.118 9.476 46 H VAL 6 H VAL 6 10.358 -5.638 2.522 47 HA VAL 6 HA VAL 6 10.105 -3.893 4.907 48 HB VAL 6 HB VAL 6 10.186 -2.632 2.808 49 HG11 VAL 6 1HG1 VAL 6 9.505 -4.381 1.230 50 HG12 VAL 6 2HG1 VAL 6 8.544 -2.922 0.991 51 HG13 VAL 6 3HG1 VAL 6 7.846 -4.307 1.832 52 HG21 VAL 6 3HG2 VAL 6 8.060 -1.375 2.934 53 HG22 VAL 6 1HG2 VAL 6 8.664 -1.765 4.548 54 HG23 VAL 6 2HG2 VAL 6 7.326 -2.690 3.859 55 H GLU 7 H GLU 7 8.274 -4.057 6.180 56 HA GLU 7 HA GLU 7 6.307 -6.142 5.448 57 HB2 GLU 7 2HB GLU 7 7.112 -5.068 8.184 58 HB3 GLU 7 3HB GLU 7 5.707 -6.108 7.925 59 HG2 GLU 7 2HG GLU 7 7.211 -7.843 6.928 60 HG3 GLU 7 3HG GLU 7 8.594 -6.812 7.278 61 H VAL 8 H VAL 8 4.637 -5.415 4.568 62 HA VAL 8 HA VAL 8 3.754 -2.622 4.766 63 HB VAL 8 HB VAL 8 3.273 -4.823 2.692 64 HG11 VAL 8 1HG1 VAL 8 2.079 -3.148 1.314 65 HG12 VAL 8 2HG1 VAL 8 2.156 -1.999 2.650 66 HG13 VAL 8 3HG1 VAL 8 1.226 -3.490 2.821 67 HG21 VAL 8 3HG2 VAL 8 5.519 -3.811 2.601 68 HG22 VAL 8 1HG2 VAL 8 4.806 -2.197 2.488 69 HG23 VAL 8 2HG2 VAL 8 4.577 -3.359 1.178 70 H GLN 9 H GLN 9 2.214 -2.359 6.280 71 HA GLN 9 HA GLN 9 0.362 -4.548 6.961 72 HB2 GLN 9 2HB GLN 9 0.889 -1.941 8.461 73 HB3 GLN 9 3HB GLN 9 -0.048 -3.313 9.040 74 HG2 GLN 9 2HG GLN 9 2.000 -4.694 9.082 75 HG3 GLN 9 3HG GLN 9 2.938 -3.324 8.492 76 HE21 GLN 9 1HE2 GLN 9 1.208 -4.659 11.226 77 HE22 GLN 9 2HE2 GLN 9 1.864 -3.591 12.417 78 H VAL 10 H VAL 10 -1.319 -4.446 5.568 79 HA VAL 10 HA VAL 10 -2.397 -1.868 4.654 80 HB VAL 10 HB VAL 10 -3.077 -4.714 3.741 81 HG11 VAL 10 1HG1 VAL 10 -4.227 -3.645 1.830 82 HG12 VAL 10 2HG1 VAL 10 -3.885 -2.048 2.504 83 HG13 VAL 10 3HG1 VAL 10 -4.961 -3.155 3.360 84 HG21 VAL 10 3HG2 VAL 10 -1.316 -2.611 2.418 85 HG22 VAL 10 1HG2 VAL 10 -1.756 -4.171 1.714 86 HG23 VAL 10 2HG2 VAL 10 -0.761 -4.109 3.171 87 H LYS 11 H LYS 11 -3.894 -1.001 5.902 88 HA LYS 11 HA LYS 11 -5.910 -2.655 7.312 89 HB2 LYS 11 2HB LYS 11 -4.333 -1.557 8.880 90 HB3 LYS 11 3HB LYS 11 -4.633 0.003 8.126 91 HG2 LYS 11 2HG LYS 11 -7.006 -0.117 8.872 92 HG3 LYS 11 3HG LYS 11 -6.658 -1.650 9.674 93 HD2 LYS 11 2HD LYS 11 -6.654 0.196 11.291 94 HD3 LYS 11 3HD LYS 11 -5.041 -0.511 11.163 95 HE2 LYS 11 2HE LYS 11 -4.369 1.359 9.663 96 HE3 LYS 11 3HE LYS 11 -5.982 2.057 9.839 97 HZ1 LYS 11 3HZ LYS 11 -4.277 3.044 11.310 98 HZ2 LYS 11 1HZ LYS 11 -4.144 1.569 12.117 99 HZ3 LYS 11 2HZ LYS 11 -5.605 2.419 12.145 100 H ILE 12 H ILE 12 -7.692 -2.470 6.003 101 HA ILE 12 HA ILE 12 -8.338 0.188 4.867 102 HB ILE 12 HB ILE 12 -7.643 -1.216 3.058 103 HG12 ILE 12 2HG1 ILE 12 -10.690 -1.027 3.048 104 HG13 ILE 12 3HG1 ILE 12 -9.586 0.288 2.662 105 HG21 ILE 12 1HG2 ILE 12 -8.670 -3.374 2.468 106 HG22 ILE 12 2HG2 ILE 12 -9.665 -3.310 3.924 107 HG23 ILE 12 3HG2 ILE 12 -7.910 -3.442 4.060 108 HD11 ILE 12 3HD1 ILE 12 -10.524 -0.666 0.673 109 HD12 ILE 12 1HD1 ILE 12 -9.920 -2.265 1.104 110 HD13 ILE 12 2HD1 ILE 12 -8.788 -0.963 0.725 111 H THR 13 H THR 13 -10.164 1.069 5.521 112 HA THR 13 HA THR 13 -12.194 -0.542 6.918 113 HB THR 13 HB THR 13 -11.886 2.505 6.799 114 HG1 THR 13 HG1 THR 13 -11.069 0.607 8.767 115 HG21 THR 13 3HG2 THR 13 -14.191 1.749 7.356 116 HG22 THR 13 1HG2 THR 13 -13.402 2.515 8.741 117 HG23 THR 13 2HG2 THR 13 -13.540 0.757 8.663 118 H CYS 14 H CYS 14 -13.715 -1.237 5.600 119 HA CYS 14 HA CYS 14 -14.839 0.449 3.422 120 HB2 CYS 14 2HB CYS 14 -13.491 -1.612 2.732 121 HB3 CYS 14 3HB CYS 14 -14.732 -2.592 3.490 122 H ASN 15 H ASN 15 -16.800 1.124 4.037 123 HA ASN 15 HA ASN 15 -18.948 1.235 4.685 124 HB2 ASN 15 2HB ASN 15 -19.281 -0.929 3.515 125 HB3 ASN 15 3HB ASN 15 -18.820 -1.804 4.964 126 HD21 ASN 15 1HD2 ASN 15 -21.326 -1.738 3.309 127 HD22 ASN 15 2HD2 ASN 15 -22.592 -1.462 4.451 128 H GLY 16 H GLY 16 -17.880 -1.420 6.806 129 HA2 GLY 16 2HA GLY 16 -17.353 0.325 9.070 130 HA3 GLY 16 3HA GLY 16 -18.797 -0.672 9.257 131 H LYS 17 H LYS 17 -16.548 -2.224 7.295 132 HA LYS 17 HA LYS 17 -15.464 -3.854 9.514 133 HB2 LYS 17 2HB LYS 17 -15.929 -4.549 6.575 134 HB3 LYS 17 3HB LYS 17 -15.176 -5.628 7.737 135 HG2 LYS 17 2HG LYS 17 -17.994 -4.609 8.168 136 HG3 LYS 17 3HG LYS 17 -17.677 -5.970 7.101 137 HD2 LYS 17 2HD LYS 17 -18.297 -6.903 9.203 138 HD3 LYS 17 3HD LYS 17 -16.559 -7.138 9.063 139 HE2 LYS 17 2HE LYS 17 -17.222 -6.464 11.343 140 HE3 LYS 17 3HE LYS 17 -16.174 -5.255 10.601 141 HZ1 LYS 17 3HZ LYS 17 -18.063 -4.270 11.769 142 HZ2 LYS 17 1HZ LYS 17 -19.135 -5.087 10.749 143 HZ3 LYS 17 2HZ LYS 17 -18.104 -3.908 10.119 144 H THR 18 H THR 18 -13.333 -3.661 9.875 145 HA THR 18 HA THR 18 -11.585 -2.377 7.863 146 HB THR 18 HB THR 18 -11.232 -2.572 10.896 147 HG1 THR 18 HG1 THR 18 -12.724 -1.019 10.630 148 HG21 THR 18 3HG2 THR 18 -9.392 -0.957 10.585 149 HG22 THR 18 1HG2 THR 18 -9.597 -1.046 8.835 150 HG23 THR 18 2HG2 THR 18 -9.051 -2.466 9.734 151 H TYR 19 H TYR 19 -10.075 -3.601 6.943 152 HA TYR 19 HA TYR 19 -9.479 -6.320 7.951 153 HB2 TYR 19 2HB TYR 19 -9.356 -5.198 5.101 154 HB3 TYR 19 3HB TYR 19 -8.940 -6.844 5.561 155 HD1 TYR 19 HD2 TYR 19 -11.859 -4.471 5.868 156 HD2 TYR 19 HD1 TYR 19 -10.595 -8.494 5.170 157 HE1 TYR 19 HE2 TYR 19 -14.183 -5.139 5.518 158 HE2 TYR 19 HE1 TYR 19 -12.942 -9.158 4.822 159 HH TYR 19 HH TYR 19 -15.487 -6.854 4.534 160 H GLU 20 H GLU 20 -7.608 -6.073 9.123 161 HA GLU 20 HA GLU 20 -5.363 -4.537 7.931 162 HB2 GLU 20 2HB GLU 20 -4.562 -3.964 10.119 163 HB3 GLU 20 3HB GLU 20 -6.266 -3.554 10.067 164 HG2 GLU 20 2HG GLU 20 -5.052 -5.964 11.452 165 HG3 GLU 20 3HG GLU 20 -5.602 -4.486 12.235 166 H ARG 21 H ARG 21 -3.351 -5.509 7.793 167 HA ARG 21 HA ARG 21 -2.610 -7.849 9.254 168 HB2 ARG 21 2HB ARG 21 -4.038 -9.034 7.681 169 HB3 ARG 21 3HB ARG 21 -3.294 -8.228 6.305 170 HG2 ARG 21 2HG ARG 21 -1.224 -9.437 6.621 171 HG3 ARG 21 3HG ARG 21 -1.776 -10.091 8.163 172 HD2 ARG 21 2HD ARG 21 -3.089 -10.695 5.500 173 HD3 ARG 21 3HD ARG 21 -1.859 -11.714 6.251 174 HE ARG 21 HE ARG 21 -4.629 -11.345 7.127 175 HH11 ARG 21 1HH1 ARG 21 -1.490 -12.798 7.814 176 HH12 ARG 21 2HH1 ARG 21 -2.134 -13.934 8.953 177 HH21 ARG 21 1HH2 ARG 21 -5.451 -12.847 8.634 178 HH22 ARG 21 2HH2 ARG 21 -4.377 -13.961 9.418 179 H THR 22 H THR 22 -0.457 -8.149 9.270 180 HA THR 22 HA THR 22 1.321 -6.322 7.871 181 HB THR 22 HB THR 22 1.960 -8.547 9.872 182 HG1 THR 22 HG1 THR 22 1.112 -7.272 11.299 183 HG21 THR 22 3HG2 THR 22 3.588 -6.098 9.081 184 HG22 THR 22 1HG2 THR 22 3.954 -7.768 8.630 185 HG23 THR 22 2HG2 THR 22 4.026 -7.274 10.322 186 H TYR 23 H TYR 23 1.772 -6.912 5.799 187 HA TYR 23 HA TYR 23 2.195 -9.728 5.026 188 HB2 TYR 23 2HB TYR 23 2.023 -7.179 3.339 189 HB3 TYR 23 3HB TYR 23 2.278 -8.791 2.683 190 HD1 TYR 23 HD1 TYR 23 -0.198 -6.587 4.380 191 HD2 TYR 23 HD2 TYR 23 0.415 -10.299 2.346 192 HE1 TYR 23 HE1 TYR 23 -2.629 -6.879 4.179 193 HE2 TYR 23 HE2 TYR 23 -2.015 -10.596 2.153 194 HH TYR 23 HH TYR 23 -4.048 -9.855 3.242 195 H GLN 24 H GLN 24 4.190 -10.494 4.488 196 HA GLN 24 HA GLN 24 6.557 -8.768 4.909 197 HB2 GLN 24 2HB GLN 24 6.271 -11.812 4.765 198 HB3 GLN 24 3HB GLN 24 7.824 -10.991 4.825 199 HG2 GLN 24 2HG GLN 24 7.276 -11.834 7.026 200 HG3 GLN 24 3HG GLN 24 7.262 -10.077 7.056 201 HE21 GLN 24 1HE2 GLN 24 5.338 -9.017 7.553 202 HE22 GLN 24 2HE2 GLN 24 3.907 -9.840 8.058 203 H LEU 25 H LEU 25 7.181 -7.768 3.071 204 HA LEU 25 HA LEU 25 7.078 -9.212 0.482 205 HB2 LEU 25 2HB LEU 25 6.892 -6.214 1.016 206 HB3 LEU 25 3HB LEU 25 7.036 -6.925 -0.587 207 HG LEU 25 HG LEU 25 4.690 -7.192 1.334 208 HD11 LEU 25 1HD1 LEU 25 4.743 -5.083 0.112 209 HD12 LEU 25 2HD1 LEU 25 3.403 -6.086 -0.433 210 HD13 LEU 25 3HD1 LEU 25 4.859 -5.944 -1.426 211 HD21 LEU 25 3HD2 LEU 25 3.575 -8.573 -0.395 212 HD22 LEU 25 1HD2 LEU 25 5.002 -9.364 0.272 213 HD23 LEU 25 2HD2 LEU 25 5.075 -8.616 -1.325 214 H TYR 26 H TYR 26 8.974 -9.821 -0.210 215 HA TYR 26 HA TYR 26 11.463 -8.461 0.654 216 HB2 TYR 26 2HB TYR 26 11.195 -10.735 1.602 217 HB3 TYR 26 3HB TYR 26 10.912 -11.400 0.001 218 HD1 TYR 26 HD1 TYR 26 13.501 -9.918 2.227 219 HD2 TYR 26 HD2 TYR 26 12.783 -11.987 -1.445 220 HE1 TYR 26 HE1 TYR 26 15.899 -10.398 2.024 221 HE2 TYR 26 HE2 TYR 26 15.183 -12.466 -1.648 222 HH TYR 26 HH TYR 26 17.308 -11.630 -0.850 223 H ALA 27 H ALA 27 12.430 -7.414 -1.006 224 HA ALA 27 HA ALA 27 12.710 -8.694 -3.616 225 HB1 ALA 27 3HB ALA 27 10.641 -7.376 -3.892 226 HB2 ALA 27 1HB ALA 27 11.949 -6.715 -4.875 227 HB3 ALA 27 2HB ALA 27 11.488 -5.918 -3.370 228 H VAL 28 H VAL 28 14.437 -7.950 -4.781 229 HA VAL 28 HA VAL 28 16.576 -6.619 -3.385 230 HB VAL 28 HB VAL 28 16.408 -7.547 -6.302 231 HG11 VAL 28 1HG1 VAL 28 18.220 -5.907 -5.988 232 HG12 VAL 28 2HG1 VAL 28 18.870 -7.513 -6.319 233 HG13 VAL 28 3HG1 VAL 28 18.887 -6.876 -4.673 234 HG21 VAL 28 3HG2 VAL 28 17.609 -9.579 -5.601 235 HG22 VAL 28 1HG2 VAL 28 16.077 -9.431 -4.737 236 HG23 VAL 28 2HG2 VAL 28 17.590 -9.032 -3.922 237 H ARG 29 H ARG 29 14.304 -5.878 -6.011 238 HA ARG 29 HA ARG 29 15.446 -3.158 -6.370 239 HB2 ARG 29 2HB ARG 29 13.993 -4.786 -8.504 240 HB3 ARG 29 3HB ARG 29 14.920 -3.303 -8.730 241 HG2 ARG 29 2HG ARG 29 16.986 -4.583 -8.061 242 HG3 ARG 29 3HG ARG 29 16.007 -6.047 -8.021 243 HD2 ARG 29 2HD ARG 29 15.519 -5.773 -10.433 244 HD3 ARG 29 3HD ARG 29 16.512 -4.309 -10.467 245 HE ARG 29 HE ARG 29 17.464 -7.072 -10.073 246 HH11 ARG 29 1HH1 ARG 29 18.278 -3.710 -10.755 247 HH12 ARG 29 2HH1 ARG 29 19.917 -4.087 -11.183 248 HH21 ARG 29 1HH2 ARG 29 19.595 -7.523 -10.623 249 HH22 ARG 29 2HH2 ARG 29 20.661 -6.241 -11.108 250 H ASP 30 H ASP 30 13.910 -1.537 -7.213 251 HA ASP 30 HA ASP 30 11.599 -1.181 -5.636 252 HB2 ASP 30 2HB ASP 30 12.519 0.222 -8.187 253 HB3 ASP 30 3HB ASP 30 11.103 0.739 -7.286 254 H GLU 31 H GLU 31 11.947 -2.037 -9.069 255 HA GLU 31 HA GLU 31 9.199 -2.055 -9.719 256 HB2 GLU 31 2HB GLU 31 11.464 -3.528 -11.123 257 HB3 GLU 31 3HB GLU 31 9.877 -3.186 -11.807 258 HG2 GLU 31 2HG GLU 31 12.030 -1.180 -11.086 259 HG3 GLU 31 3HG GLU 31 11.490 -1.619 -12.705 260 H GLU 32 H GLU 32 11.292 -4.497 -8.325 261 HA GLU 32 HA GLU 32 9.544 -6.727 -8.713 262 HB2 GLU 32 2HB GLU 32 11.787 -6.377 -6.680 263 HB3 GLU 32 3HB GLU 32 11.058 -7.903 -7.177 264 HG2 GLU 32 2HG GLU 32 12.759 -6.058 -8.875 265 HG3 GLU 32 3HG GLU 32 13.229 -7.627 -8.225 266 H LEU 33 H LEU 33 9.805 -4.176 -6.309 267 HA LEU 33 HA LEU 33 8.157 -5.516 -4.325 268 HB2 LEU 33 2HB LEU 33 10.029 -3.539 -4.098 269 HB3 LEU 33 3HB LEU 33 8.602 -2.530 -4.181 270 HG LEU 33 HG LEU 33 9.217 -2.891 -1.846 271 HD11 LEU 33 1HD1 LEU 33 6.715 -4.503 -2.415 272 HD12 LEU 33 2HD1 LEU 33 6.812 -2.746 -2.255 273 HD13 LEU 33 3HD1 LEU 33 7.169 -3.771 -0.869 274 HD21 LEU 33 3HD2 LEU 33 8.970 -5.878 -2.330 275 HD22 LEU 33 1HD2 LEU 33 9.271 -5.098 -0.773 276 HD23 LEU 33 2HD2 LEU 33 10.467 -4.984 -2.060 277 H LYS 34 H LYS 34 7.738 -3.085 -6.880 278 HA LYS 34 HA LYS 34 5.244 -1.998 -6.255 279 HB2 LYS 34 2HB LYS 34 6.542 -2.461 -8.966 280 HB3 LYS 34 3HB LYS 34 5.074 -1.510 -8.749 281 HG2 LYS 34 2HG LYS 34 6.247 0.128 -7.418 282 HG3 LYS 34 3HG LYS 34 7.703 -0.868 -7.392 283 HD2 LYS 34 2HD LYS 34 7.900 1.006 -8.993 284 HD3 LYS 34 3HD LYS 34 8.013 -0.560 -9.794 285 HE2 LYS 34 2HE LYS 34 5.636 -0.346 -10.493 286 HE3 LYS 34 3HE LYS 34 5.573 1.247 -9.733 287 HZ1 LYS 34 3HZ LYS 34 7.299 1.990 -11.252 288 HZ2 LYS 34 1HZ LYS 34 5.966 1.412 -12.106 289 HZ3 LYS 34 2HZ LYS 34 7.362 0.467 -11.975 290 H GLU 35 H GLU 35 5.898 -4.709 -8.503 291 HA GLU 35 HA GLU 35 3.309 -5.450 -9.158 292 HB2 GLU 35 2HB GLU 35 4.296 -7.769 -9.563 293 HB3 GLU 35 3HB GLU 35 5.129 -6.445 -10.371 294 HG2 GLU 35 2HG GLU 35 6.977 -6.536 -8.903 295 HG3 GLU 35 3HG GLU 35 6.092 -7.463 -7.696 296 H LYS 36 H LYS 36 5.179 -6.300 -6.272 297 HA LYS 36 HA LYS 36 3.401 -8.300 -5.270 298 HB2 LYS 36 2HB LYS 36 5.500 -6.680 -3.755 299 HB3 LYS 36 3HB LYS 36 4.727 -8.160 -3.184 300 HG2 LYS 36 2HG LYS 36 5.719 -9.378 -5.125 301 HG3 LYS 36 3HG LYS 36 6.560 -7.896 -5.584 302 HD2 LYS 36 2HD LYS 36 7.703 -7.952 -3.318 303 HD3 LYS 36 3HD LYS 36 6.965 -9.533 -3.051 304 HE2 LYS 36 2HE LYS 36 9.026 -8.757 -5.134 305 HE3 LYS 36 3HE LYS 36 9.178 -9.962 -3.858 306 HZ1 LYS 36 3HZ LYS 36 7.459 -10.150 -6.278 307 HZ2 LYS 36 1HZ LYS 36 7.477 -11.287 -5.026 308 HZ3 LYS 36 2HZ LYS 36 8.863 -11.037 -5.960 309 H LEU 37 H LEU 37 3.797 -4.829 -4.681 310 HA LEU 37 HA LEU 37 1.867 -4.466 -2.667 311 HB2 LEU 37 2HB LEU 37 2.837 -2.571 -4.839 312 HB3 LEU 37 3HB LEU 37 1.825 -2.064 -3.493 313 HG LEU 37 HG LEU 37 4.562 -3.330 -3.094 314 HD11 LEU 37 1HD1 LEU 37 4.870 -1.297 -4.396 315 HD12 LEU 37 2HD1 LEU 37 5.469 -1.084 -2.754 316 HD13 LEU 37 3HD1 LEU 37 3.924 -0.373 -3.228 317 HD21 LEU 37 3HD2 LEU 37 2.818 -1.697 -1.215 318 HD22 LEU 37 1HD2 LEU 37 4.421 -2.340 -0.849 319 HD23 LEU 37 2HD2 LEU 37 3.080 -3.442 -1.140 320 H LYS 38 H LYS 38 1.549 -4.382 -6.239 321 HA LYS 38 HA LYS 38 -1.194 -3.812 -6.411 322 HB2 LYS 38 2HB LYS 38 0.565 -5.418 -8.316 323 HB3 LYS 38 3HB LYS 38 -1.016 -4.747 -8.718 324 HG2 LYS 38 2HG LYS 38 -0.156 -2.469 -8.412 325 HG3 LYS 38 3HG LYS 38 1.411 -3.107 -7.916 326 HD2 LYS 38 2HD LYS 38 1.558 -2.370 -10.224 327 HD3 LYS 38 3HD LYS 38 1.679 -4.131 -10.178 328 HE2 LYS 38 2HE LYS 38 -0.715 -4.289 -10.821 329 HE3 LYS 38 3HE LYS 38 -0.796 -2.525 -10.897 330 HZ1 LYS 38 3HZ LYS 38 0.840 -2.544 -12.646 331 HZ2 LYS 38 1HZ LYS 38 -0.465 -3.528 -13.077 332 HZ3 LYS 38 2HZ LYS 38 0.991 -4.221 -12.556 333 H LYS 39 H LYS 39 0.539 -6.929 -6.158 334 HA LYS 39 HA LYS 39 -1.668 -8.679 -6.376 335 HB2 LYS 39 2HB LYS 39 1.014 -8.999 -4.962 336 HB3 LYS 39 3HB LYS 39 -0.159 -10.309 -5.055 337 HG2 LYS 39 2HG LYS 39 1.122 -8.945 -7.442 338 HG3 LYS 39 3HG LYS 39 1.661 -10.469 -6.748 339 HD2 LYS 39 2HD LYS 39 -1.155 -10.097 -7.843 340 HD3 LYS 39 3HD LYS 39 0.196 -10.573 -8.866 341 HE2 LYS 39 2HE LYS 39 -1.030 -12.556 -8.226 342 HE3 LYS 39 3HE LYS 39 0.537 -12.587 -7.426 343 HZ1 LYS 39 3HZ LYS 39 -1.290 -13.272 -5.968 344 HZ2 LYS 39 1HZ LYS 39 -2.017 -11.757 -6.143 345 HZ3 LYS 39 2HZ LYS 39 -0.514 -11.894 -5.376 346 H VAL 40 H VAL 40 -0.046 -7.396 -3.475 347 HA VAL 40 HA VAL 40 -1.678 -8.485 -1.486 348 HB VAL 40 HB VAL 40 0.136 -6.032 -1.526 349 HG11 VAL 40 1HG1 VAL 40 -1.216 -7.207 0.927 350 HG12 VAL 40 2HG1 VAL 40 -1.520 -5.614 0.234 351 HG13 VAL 40 3HG1 VAL 40 0.053 -5.977 0.941 352 HG21 VAL 40 3HG2 VAL 40 1.259 -8.212 -1.773 353 HG22 VAL 40 1HG2 VAL 40 0.501 -8.790 -0.289 354 HG23 VAL 40 2HG2 VAL 40 1.676 -7.472 -0.226 355 H LEU 41 H LEU 41 -1.984 -5.417 -3.274 356 HA LEU 41 HA LEU 41 -4.140 -4.414 -1.690 357 HB2 LEU 41 2HB LEU 41 -2.868 -3.520 -4.278 358 HB3 LEU 41 3HB LEU 41 -4.419 -2.834 -3.814 359 HG LEU 41 HG LEU 41 -1.909 -2.727 -2.086 360 HD11 LEU 41 1HD1 LEU 41 -1.651 -1.347 -4.091 361 HD12 LEU 41 2HD1 LEU 41 -1.778 -0.357 -2.642 362 HD13 LEU 41 3HD1 LEU 41 -3.162 -0.513 -3.730 363 HD21 LEU 41 3HD2 LEU 41 -3.168 -1.146 -0.693 364 HD22 LEU 41 1HD2 LEU 41 -3.975 -2.712 -0.756 365 HD23 LEU 41 2HD2 LEU 41 -4.600 -1.358 -1.708 366 H ASN 42 H ASN 42 -4.084 -5.952 -4.968 367 HA ASN 42 HA ASN 42 -6.928 -6.011 -5.229 368 HB2 ASN 42 2HB ASN 42 -4.732 -7.547 -6.662 369 HB3 ASN 42 3HB ASN 42 -6.429 -7.870 -6.990 370 HD21 ASN 42 1HD2 ASN 42 -3.789 -5.803 -7.671 371 HD22 ASN 42 2HD2 ASN 42 -4.627 -4.718 -8.709 372 H GLU 43 H GLU 43 -4.721 -8.033 -3.470 373 HA GLU 43 HA GLU 43 -6.434 -10.318 -3.169 374 HB2 GLU 43 2HB GLU 43 -3.910 -10.313 -2.871 375 HB3 GLU 43 3HB GLU 43 -4.137 -9.440 -1.365 376 HG2 GLU 43 2HG GLU 43 -3.769 -11.786 -0.893 377 HG3 GLU 43 3HG GLU 43 -5.424 -11.355 -0.462 378 H ARG 44 H ARG 44 -5.499 -7.649 -0.984 379 HA ARG 44 HA ARG 44 -7.333 -8.379 1.081 380 HB2 ARG 44 2HB ARG 44 -5.115 -7.190 1.439 381 HB3 ARG 44 3HB ARG 44 -5.844 -5.741 0.765 382 HG2 ARG 44 2HG ARG 44 -5.847 -5.538 3.153 383 HG3 ARG 44 3HG ARG 44 -7.516 -5.762 2.635 384 HD2 ARG 44 2HD ARG 44 -5.855 -8.113 3.592 385 HD3 ARG 44 3HD ARG 44 -6.650 -7.041 4.734 386 HE ARG 44 HE ARG 44 -8.781 -7.722 3.854 387 HH11 ARG 44 1HH1 ARG 44 -6.125 -9.752 2.768 388 HH12 ARG 44 2HH1 ARG 44 -7.148 -11.108 2.405 389 HH21 ARG 44 1HH2 ARG 44 -10.090 -9.545 3.453 390 HH22 ARG 44 2HH2 ARG 44 -9.383 -10.984 2.795 391 H MET 45 H MET 45 -7.517 -6.320 -1.722 392 HA MET 45 HA MET 45 -10.005 -5.056 -0.817 393 HB2 MET 45 2HB MET 45 -8.342 -4.438 -3.278 394 HB3 MET 45 3HB MET 45 -9.820 -3.603 -2.818 395 HG2 MET 45 2HG MET 45 -8.604 -3.025 -0.620 396 HG3 MET 45 3HG MET 45 -7.134 -3.536 -1.452 397 HE1 MET 45 3HE MET 45 -10.299 -1.664 -3.017 398 HE2 MET 45 1HE MET 45 -9.801 -0.004 -2.712 399 HE3 MET 45 2HE MET 45 -10.131 -1.082 -1.361 400 H ASP 46 H ASP 46 -9.237 -7.865 -2.319 401 HA ASP 46 HA ASP 46 -11.196 -8.122 -4.304 402 HB2 ASP 46 2HB ASP 46 -9.559 -9.855 -4.137 403 HB3 ASP 46 3HB ASP 46 -9.923 -10.163 -2.449 404 HA PRO 47 HA PRO 47 -14.480 -9.433 -0.881 405 HB2 PRO 47 2HB PRO 47 -13.939 -8.806 1.750 406 HB3 PRO 47 3HB PRO 47 -13.493 -10.368 1.025 407 HG2 PRO 47 2HG PRO 47 -11.776 -7.927 1.416 408 HG3 PRO 47 3HG PRO 47 -11.408 -9.624 1.802 409 HD2 PRO 47 2HD PRO 47 -10.475 -8.488 -0.434 410 HD3 PRO 47 3HD PRO 47 -11.009 -10.182 -0.429 411 H ILE 48 H ILE 48 -12.563 -6.549 -0.812 412 HA ILE 48 HA ILE 48 -14.389 -4.780 0.533 413 HB ILE 48 HB ILE 48 -11.912 -4.260 -1.150 414 HG12 ILE 48 2HG1 ILE 48 -11.421 -5.546 0.876 415 HG13 ILE 48 3HG1 ILE 48 -10.753 -3.929 1.020 416 HG21 ILE 48 1HG2 ILE 48 -13.304 -2.248 -1.160 417 HG22 ILE 48 2HG2 ILE 48 -11.826 -1.998 -0.239 418 HG23 ILE 48 3HG2 ILE 48 -13.349 -2.257 0.605 419 HD11 ILE 48 3HD1 ILE 48 -11.700 -4.730 3.094 420 HD12 ILE 48 1HD1 ILE 48 -13.277 -4.915 2.331 421 HD13 ILE 48 2HD1 ILE 48 -12.562 -3.309 2.513 422 H LYS 49 H LYS 49 -13.552 -5.417 -2.899 423 HA LYS 49 HA LYS 49 -15.265 -3.409 -4.014 424 HB2 LYS 49 2HB LYS 49 -14.224 -5.971 -5.307 425 HB3 LYS 49 3HB LYS 49 -14.966 -4.622 -6.166 426 HG2 LYS 49 2HG LYS 49 -13.087 -3.156 -5.458 427 HG3 LYS 49 3HG LYS 49 -12.345 -4.533 -4.634 428 HD2 LYS 49 2HD LYS 49 -12.322 -5.721 -6.899 429 HD3 LYS 49 3HD LYS 49 -12.790 -4.180 -7.625 430 HE2 LYS 49 2HE LYS 49 -10.239 -4.755 -6.070 431 HE3 LYS 49 3HE LYS 49 -10.376 -4.480 -7.807 432 HZ1 LYS 49 3HZ LYS 49 -9.619 -2.488 -6.795 433 HZ2 LYS 49 1HZ LYS 49 -10.856 -2.514 -5.645 434 HZ3 LYS 49 2HZ LYS 49 -11.219 -2.227 -7.267 435 H LYS 50 H LYS 50 -15.641 -6.761 -3.047 436 HA LYS 50 HA LYS 50 -18.280 -7.216 -3.993 437 HB2 LYS 50 2HB LYS 50 -16.654 -8.998 -3.471 438 HB3 LYS 50 3HB LYS 50 -16.672 -8.558 -1.776 439 HG2 LYS 50 2HG LYS 50 -19.251 -9.414 -3.081 440 HG3 LYS 50 3HG LYS 50 -18.049 -10.645 -2.701 441 HD2 LYS 50 2HD LYS 50 -19.353 -8.742 -0.708 442 HD3 LYS 50 3HD LYS 50 -19.726 -10.455 -0.911 443 HE2 LYS 50 2HE LYS 50 -17.385 -11.012 -0.242 444 HE3 LYS 50 3HE LYS 50 -17.081 -9.294 0.036 445 HZ1 LYS 50 3HZ LYS 50 -18.792 -9.295 1.734 446 HZ2 LYS 50 1HZ LYS 50 -17.624 -10.466 2.085 447 HZ3 LYS 50 2HZ LYS 50 -19.122 -10.929 1.453 448 H LEU 51 H LEU 51 -16.995 -5.660 -1.118 449 HA LEU 51 HA LEU 51 -19.507 -5.499 0.308 450 HB2 LEU 51 2HB LEU 51 -16.952 -3.866 0.618 451 HB3 LEU 51 3HB LEU 51 -18.358 -3.693 1.658 452 HG LEU 51 HG LEU 51 -16.603 -6.167 1.422 453 HD11 LEU 51 1HD1 LEU 51 -16.909 -4.210 3.717 454 HD12 LEU 51 2HD1 LEU 51 -15.516 -4.358 2.643 455 HD13 LEU 51 3HD1 LEU 51 -15.931 -5.683 3.725 456 HD21 LEU 51 3HD2 LEU 51 -17.930 -7.119 3.254 457 HD22 LEU 51 1HD2 LEU 51 -18.912 -6.845 1.817 458 HD23 LEU 51 2HD2 LEU 51 -19.031 -5.740 3.189 459 H GLY 52 H GLY 52 -17.684 -3.504 -1.969 460 HA2 GLY 52 2HA GLY 52 -18.245 -1.774 -3.339 461 HA3 GLY 52 3HA GLY 52 -19.921 -2.271 -3.146 462 H CYS 53 H CYS 53 -17.346 -0.674 -1.253 463 HA CYS 53 HA CYS 53 -19.288 0.764 0.355 464 HB2 CYS 53 2HB CYS 53 -16.250 0.814 0.413 465 HB3 CYS 53 3HB CYS 53 -17.324 1.512 1.632 466 H LYS 54 H LYS 54 -19.365 3.006 0.624 467 HA LYS 54 HA LYS 54 -19.265 4.591 -1.741 468 HB2 LYS 54 2HB LYS 54 -19.566 5.531 1.147 469 HB3 LYS 54 3HB LYS 54 -20.019 6.440 -0.292 470 HG2 LYS 54 2HG LYS 54 -21.324 3.898 0.735 471 HG3 LYS 54 3HG LYS 54 -21.994 5.528 0.817 472 HD2 LYS 54 2HD LYS 54 -21.435 3.973 -1.741 473 HD3 LYS 54 3HD LYS 54 -23.016 4.159 -0.984 474 HE2 LYS 54 2HE LYS 54 -22.903 6.608 -1.358 475 HE3 LYS 54 3HE LYS 54 -21.322 6.414 -2.123 476 HZ1 LYS 54 3HZ LYS 54 -23.089 6.568 -3.763 477 HZ2 LYS 54 1HZ LYS 54 -23.864 5.218 -3.096 478 HZ3 LYS 54 2HZ LYS 54 -22.351 5.049 -3.830 479 H ARG 55 H ARG 55 -17.255 4.343 1.151 480 HA ARG 55 HA ARG 55 -14.974 5.514 -0.266 481 HB2 ARG 55 2HB ARG 55 -15.549 7.479 0.897 482 HB3 ARG 55 3HB ARG 55 -16.184 6.613 2.287 483 HG2 ARG 55 2HG ARG 55 -13.995 6.197 3.159 484 HG3 ARG 55 3HG ARG 55 -13.213 6.677 1.655 485 HD2 ARG 55 2HD ARG 55 -14.849 8.668 3.245 486 HD3 ARG 55 3HD ARG 55 -13.174 8.313 3.683 487 HE ARG 55 HE ARG 55 -13.719 9.069 0.908 488 HH11 ARG 55 1HH1 ARG 55 -12.506 10.091 4.056 489 HH12 ARG 55 2HH1 ARG 55 -11.648 11.457 3.410 490 HH21 ARG 55 1HH2 ARG 55 -12.509 10.806 0.072 491 HH22 ARG 55 2HH2 ARG 55 -11.652 11.859 1.159 492 H VAL 56 H VAL 56 -13.100 4.514 0.200 493 HA VAL 56 HA VAL 56 -12.889 2.695 2.515 494 HB VAL 56 HB VAL 56 -11.336 1.273 1.182 495 HG11 VAL 56 1HG1 VAL 56 -13.692 0.632 1.319 496 HG12 VAL 56 2HG1 VAL 56 -13.036 0.189 -0.257 497 HG13 VAL 56 3HG1 VAL 56 -14.072 1.609 -0.102 498 HG21 VAL 56 3HG2 VAL 56 -11.175 1.511 -1.288 499 HG22 VAL 56 1HG2 VAL 56 -10.511 2.921 -0.457 500 HG23 VAL 56 2HG2 VAL 56 -12.107 3.010 -1.205 501 H ARG 57 H ARG 57 -11.156 3.057 3.822 502 HA ARG 57 HA ARG 57 -9.019 4.920 2.940 503 HB2 ARG 57 2HB ARG 57 -10.395 4.571 5.587 504 HB3 ARG 57 3HB ARG 57 -8.659 4.843 5.663 505 HG2 ARG 57 2HG ARG 57 -8.988 6.921 4.282 506 HG3 ARG 57 3HG ARG 57 -10.732 6.681 4.415 507 HD2 ARG 57 2HD ARG 57 -10.692 7.043 6.776 508 HD3 ARG 57 3HD ARG 57 -8.934 6.889 6.848 509 HE ARG 57 HE ARG 57 -9.615 9.065 5.174 510 HH11 ARG 57 1HH1 ARG 57 -9.608 8.190 8.582 511 HH12 ARG 57 2HH1 ARG 57 -9.421 9.824 9.127 512 HH21 ARG 57 1HH2 ARG 57 -9.333 11.208 5.911 513 HH22 ARG 57 2HH2 ARG 57 -9.267 11.528 7.613 514 H ILE 58 H ILE 58 -7.410 3.750 2.196 515 HA ILE 58 HA ILE 58 -6.654 1.155 3.336 516 HB ILE 58 HB ILE 58 -5.383 2.560 0.927 517 HG12 ILE 58 2HG1 ILE 58 -7.697 0.574 0.757 518 HG13 ILE 58 3HG1 ILE 58 -7.891 2.314 0.602 519 HG21 ILE 58 1HG2 ILE 58 -5.512 -0.383 1.709 520 HG22 ILE 58 2HG2 ILE 58 -4.109 0.676 1.876 521 HG23 ILE 58 3HG2 ILE 58 -4.716 0.267 0.273 522 HD11 ILE 58 3HD1 ILE 58 -6.283 0.548 -1.242 523 HD12 ILE 58 1HD1 ILE 58 -6.463 2.300 -1.384 524 HD13 ILE 58 2HD1 ILE 58 -7.868 1.252 -1.560 525 H SER 59 H SER 59 -5.286 1.430 5.098 526 HA SER 59 HA SER 59 -3.305 3.616 5.104 527 HB2 SER 59 2HB SER 59 -4.222 1.816 7.405 528 HB3 SER 59 3HB SER 59 -3.161 3.224 7.531 529 HG SER 59 HG SER 59 -5.847 3.285 6.610 530 H ILE 60 H ILE 60 -1.616 2.836 3.960 531 HA ILE 60 HA ILE 60 -0.637 0.086 4.355 532 HB ILE 60 HB ILE 60 0.064 2.230 2.297 533 HG12 ILE 60 2HG1 ILE 60 -1.340 -0.467 2.005 534 HG13 ILE 60 3HG1 ILE 60 -2.121 1.108 1.951 535 HG21 ILE 60 1HG2 ILE 60 1.268 -0.548 2.540 536 HG22 ILE 60 2HG2 ILE 60 2.112 0.978 2.799 537 HG23 ILE 60 3HG2 ILE 60 1.523 0.561 1.192 538 HD11 ILE 60 3HD1 ILE 60 -0.873 1.634 -0.101 539 HD12 ILE 60 1HD1 ILE 60 -1.890 0.205 -0.260 540 HD13 ILE 60 2HD1 ILE 60 -0.149 0.023 -0.057 541 H ARG 61 H ARG 61 0.655 -0.094 6.051 542 HA ARG 61 HA ARG 61 2.351 2.115 6.955 543 HB2 ARG 61 2HB ARG 61 0.747 0.485 8.410 544 HB3 ARG 61 3HB ARG 61 2.170 -0.539 8.411 545 HG2 ARG 61 2HG ARG 61 2.000 2.298 9.474 546 HG3 ARG 61 3HG ARG 61 2.018 0.828 10.443 547 HD2 ARG 61 2HD ARG 61 4.314 0.368 9.813 548 HD3 ARG 61 3HD ARG 61 4.305 1.683 8.631 549 HE ARG 61 HE ARG 61 3.713 2.564 11.300 550 HH11 ARG 61 1HH1 ARG 61 6.374 1.817 9.101 551 HH12 ARG 61 2HH1 ARG 61 7.499 2.829 9.943 552 HH21 ARG 61 1HH2 ARG 61 5.208 3.890 12.374 553 HH22 ARG 61 2HH2 ARG 61 6.837 4.002 11.794 554 H VAL 62 H VAL 62 4.198 2.153 5.809 555 HA VAL 62 HA VAL 62 5.580 -0.305 4.990 556 HB VAL 62 HB VAL 62 5.963 2.648 4.313 557 HG11 VAL 62 1HG1 VAL 62 7.902 2.077 2.906 558 HG12 VAL 62 2HG1 VAL 62 7.854 0.417 3.496 559 HG13 VAL 62 3HG1 VAL 62 8.234 1.732 4.605 560 HG21 VAL 62 3HG2 VAL 62 5.538 1.895 2.010 561 HG22 VAL 62 1HG2 VAL 62 4.217 1.403 3.076 562 HG23 VAL 62 2HG2 VAL 62 5.428 0.221 2.562 563 H LYS 63 H LYS 63 6.864 -1.187 6.461 564 HA LYS 63 HA LYS 63 8.053 0.359 8.629 565 HB2 LYS 63 2HB LYS 63 7.074 -2.033 8.846 566 HB3 LYS 63 3HB LYS 63 8.520 -2.593 8.020 567 HG2 LYS 63 2HG LYS 63 9.942 -1.761 9.824 568 HG3 LYS 63 3HG LYS 63 8.551 -1.016 10.618 569 HD2 LYS 63 2HD LYS 63 9.020 -3.056 11.799 570 HD3 LYS 63 3HD LYS 63 7.545 -3.324 10.868 571 HE2 LYS 63 2HE LYS 63 8.949 -5.284 10.691 572 HE3 LYS 63 3HE LYS 63 8.929 -4.483 9.120 573 HZ1 LYS 63 3HZ LYS 63 11.086 -3.568 9.563 574 HZ2 LYS 63 1HZ LYS 63 11.152 -5.236 9.837 575 HZ3 LYS 63 2HZ LYS 63 11.079 -4.164 11.142 576 H HIS 64 H HIS 64 9.760 1.601 7.961 577 HA HIS 64 HA HIS 64 11.544 0.999 5.839 578 HB2 HIS 64 2HB HIS 64 12.832 2.926 6.589 579 HB3 HIS 64 3HB HIS 64 11.127 3.317 6.791 580 HD1 HIS 64 HD1 HIS 64 14.259 2.676 8.699 581 HD2 HIS 64 HD2 HIS 64 10.295 3.618 9.507 582 HE1 HIS 64 HE1 HIS 64 14.201 3.285 11.129 583 HE2 HIS 64 HE2 HIS 64 11.817 3.954 11.569 584 H SER 65 H SER 65 13.588 0.086 5.867 585 HA SER 65 HA SER 65 13.997 -1.928 7.901 586 HB2 SER 65 2HB SER 65 14.225 -2.458 5.489 587 HB3 SER 65 3HB SER 65 15.597 -1.357 5.368 588 HG SER 65 HG SER 65 16.782 -2.705 6.655 589 H ASP 66 H ASP 66 15.581 1.052 6.857 590 HA ASP 66 HA ASP 66 17.612 0.783 9.011 591 HB2 ASP 66 2HB ASP 66 17.958 1.881 6.187 592 HB3 ASP 66 3HB ASP 66 19.153 2.081 7.461 593 H ALA 67 H ALA 67 18.002 2.598 10.232 594 HA ALA 67 HA ALA 67 15.879 4.569 10.307 595 HB1 ALA 67 3HB ALA 67 18.265 4.217 12.157 596 HB2 ALA 67 1HB ALA 67 16.675 3.476 12.360 597 HB3 ALA 67 2HB ALA 67 16.845 5.228 12.459 598 H ALA 68 H ALA 68 19.091 4.501 9.030 599 HA ALA 68 HA ALA 68 19.351 7.403 8.812 600 HB1 ALA 68 3HB ALA 68 20.992 5.162 7.563 601 HB2 ALA 68 1HB ALA 68 21.379 6.020 9.055 602 HB3 ALA 68 2HB ALA 68 21.399 6.881 7.516 603 H GLU 69 H GLU 69 18.611 4.612 6.786 604 HA GLU 69 HA GLU 69 18.338 6.071 4.332 605 HB2 GLU 69 2HB GLU 69 17.631 3.188 5.005 606 HB3 GLU 69 3HB GLU 69 17.621 3.867 3.382 607 HG2 GLU 69 2HG GLU 69 20.089 3.733 5.142 608 HG3 GLU 69 3HG GLU 69 19.656 2.503 3.959 609 H GLU 70 H GLU 70 16.178 5.550 6.935 610 HA GLU 70 HA GLU 70 13.715 5.034 5.835 611 HB2 GLU 70 2HB GLU 70 12.717 6.237 7.781 612 HB3 GLU 70 3HB GLU 70 13.993 5.108 8.225 613 HG2 GLU 70 2HG GLU 70 15.563 6.903 8.574 614 HG3 GLU 70 3HG GLU 70 14.436 8.087 7.913 615 H LYS 71 H LYS 71 15.368 8.171 5.757 616 HA LYS 71 HA LYS 71 13.158 9.752 4.875 617 HB2 LYS 71 2HB LYS 71 16.164 10.164 4.565 618 HB3 LYS 71 3HB LYS 71 14.985 11.330 3.983 619 HG2 LYS 71 2HG LYS 71 15.705 12.186 6.058 620 HG3 LYS 71 3HG LYS 71 14.126 11.472 6.393 621 HD2 LYS 71 2HD LYS 71 15.343 9.411 7.231 622 HD3 LYS 71 3HD LYS 71 16.855 10.303 7.051 623 HE2 LYS 71 2HE LYS 71 16.118 10.385 9.371 624 HE3 LYS 71 3HE LYS 71 16.007 12.001 8.672 625 HZ1 LYS 71 3HZ LYS 71 13.741 10.102 9.002 626 HZ2 LYS 71 1HZ LYS 71 13.635 11.668 8.372 627 HZ3 LYS 71 2HZ LYS 71 14.057 11.438 9.994 628 H LYS 72 H LYS 72 15.705 7.950 3.255 629 HA LYS 72 HA LYS 72 14.975 8.534 0.561 630 HB2 LYS 72 2HB LYS 72 17.252 7.865 1.203 631 HB3 LYS 72 3HB LYS 72 16.669 6.317 1.795 632 HG2 LYS 72 2HG LYS 72 16.028 5.712 -0.558 633 HG3 LYS 72 3HG LYS 72 16.737 7.235 -1.108 634 HD2 LYS 72 2HD LYS 72 18.222 4.982 0.313 635 HD3 LYS 72 3HD LYS 72 18.307 5.340 -1.412 636 HE2 LYS 72 2HE LYS 72 19.385 7.480 -0.956 637 HE3 LYS 72 3HE LYS 72 19.188 7.250 0.782 638 HZ1 LYS 72 3HZ LYS 72 20.807 5.476 -0.971 639 HZ2 LYS 72 1HZ LYS 72 20.697 5.410 0.715 640 HZ3 LYS 72 2HZ LYS 72 21.439 6.732 -0.031 641 H GLU 73 H GLU 73 14.052 6.021 2.902 642 HA GLU 73 HA GLU 73 12.992 4.159 0.962 643 HB2 GLU 73 2HB GLU 73 12.857 4.179 4.007 644 HB3 GLU 73 3HB GLU 73 12.219 2.877 3.004 645 HG2 GLU 73 2HG GLU 73 14.512 2.475 2.110 646 HG3 GLU 73 3HG GLU 73 15.125 3.733 3.184 647 H ALA 74 H ALA 74 11.528 6.427 3.332 648 HA ALA 74 HA ALA 74 8.820 5.658 2.760 649 HB1 ALA 74 3HB ALA 74 9.871 8.184 4.084 650 HB2 ALA 74 1HB ALA 74 9.446 6.682 4.910 651 HB3 ALA 74 2HB ALA 74 8.195 7.626 4.096 652 H LYS 75 H LYS 75 10.893 8.380 1.766 653 HA LYS 75 HA LYS 75 9.214 9.608 -0.127 654 HB2 LYS 75 2HB LYS 75 11.262 10.646 0.764 655 HB3 LYS 75 3HB LYS 75 12.253 9.431 -0.031 656 HG2 LYS 75 2HG LYS 75 11.599 10.319 -2.235 657 HG3 LYS 75 3HG LYS 75 10.541 11.496 -1.453 658 HD2 LYS 75 2HD LYS 75 12.681 12.525 -2.153 659 HD3 LYS 75 3HD LYS 75 12.471 12.594 -0.404 660 HE2 LYS 75 2HE LYS 75 14.014 10.688 -0.133 661 HE3 LYS 75 3HE LYS 75 14.189 10.562 -1.886 662 HZ1 LYS 75 3HZ LYS 75 15.144 12.796 -1.902 663 HZ2 LYS 75 1HZ LYS 75 16.044 11.758 -0.915 664 HZ3 LYS 75 2HZ LYS 75 15.001 12.891 -0.221 665 H LYS 76 H LYS 76 11.389 6.824 -0.434 666 HA LYS 76 HA LYS 76 11.257 6.353 -3.210 667 HB2 LYS 76 2HB LYS 76 12.871 5.119 -1.962 668 HB3 LYS 76 3HB LYS 76 11.680 4.547 -0.809 669 HG2 LYS 76 2HG LYS 76 10.744 3.023 -2.491 670 HG3 LYS 76 3HG LYS 76 11.890 3.622 -3.695 671 HD2 LYS 76 2HD LYS 76 12.644 2.206 -1.101 672 HD3 LYS 76 3HD LYS 76 12.597 1.448 -2.695 673 HE2 LYS 76 2HE LYS 76 14.439 3.714 -1.844 674 HE3 LYS 76 3HE LYS 76 14.902 2.029 -2.092 675 HZ1 LYS 76 3HZ LYS 76 15.488 3.337 -4.010 676 HZ2 LYS 76 1HZ LYS 76 13.901 3.892 -4.180 677 HZ3 LYS 76 2HZ LYS 76 14.254 2.262 -4.434 678 H PHE 77 H PHE 77 9.266 5.075 -0.533 679 HA PHE 77 HA PHE 77 7.487 3.629 -2.220 680 HB2 PHE 77 2HB PHE 77 7.672 4.166 0.733 681 HB3 PHE 77 3HB PHE 77 6.115 3.642 0.099 682 HD1 PHE 77 HD1 PHE 77 9.624 2.613 0.694 683 HD2 PHE 77 HD2 PHE 77 5.811 1.403 -0.835 684 HE1 PHE 77 HE1 PHE 77 10.353 0.265 0.700 685 HE2 PHE 77 HE2 PHE 77 6.553 -0.933 -0.820 686 HZ PHE 77 HZ PHE 77 8.815 -1.503 -0.057 687 H ALA 78 H ALA 78 7.562 6.945 -1.139 688 HA ALA 78 HA ALA 78 4.910 7.702 -1.543 689 HB1 ALA 78 3HB ALA 78 7.396 9.281 -2.279 690 HB2 ALA 78 1HB ALA 78 6.623 9.248 -0.694 691 HB3 ALA 78 2HB ALA 78 5.771 9.943 -2.076 692 H ALA 79 H ALA 79 7.567 7.598 -3.947 693 HA ALA 79 HA ALA 79 5.928 8.068 -6.234 694 HB1 ALA 79 3HB ALA 79 7.953 7.528 -7.525 695 HB2 ALA 79 1HB ALA 79 8.730 6.904 -6.059 696 HB3 ALA 79 2HB ALA 79 8.326 8.614 -6.187 697 H ILE 80 H ILE 80 7.321 5.129 -4.779 698 HA ILE 80 HA ILE 80 6.717 3.269 -6.799 699 HB ILE 80 HB ILE 80 7.305 2.957 -3.833 700 HG12 ILE 80 2HG1 ILE 80 9.218 3.710 -5.096 701 HG13 ILE 80 3HG1 ILE 80 9.493 2.017 -4.705 702 HG21 ILE 80 1HG2 ILE 80 7.004 0.649 -5.762 703 HG22 ILE 80 2HG2 ILE 80 5.950 1.008 -4.400 704 HG23 ILE 80 3HG2 ILE 80 7.625 0.540 -4.116 705 HD11 ILE 80 3HD1 ILE 80 8.851 1.398 -6.996 706 HD12 ILE 80 1HD1 ILE 80 10.206 2.528 -6.957 707 HD13 ILE 80 2HD1 ILE 80 8.594 3.103 -7.378 708 H LEU 81 H LEU 81 4.961 3.891 -3.730 709 HA LEU 81 HA LEU 81 2.770 2.183 -4.312 710 HB2 LEU 81 2HB LEU 81 3.214 4.383 -2.278 711 HB3 LEU 81 3HB LEU 81 1.624 3.660 -2.448 712 HG LEU 81 HG LEU 81 4.123 2.030 -1.834 713 HD11 LEU 81 1HD1 LEU 81 3.735 3.601 0.003 714 HD12 LEU 81 2HD1 LEU 81 3.378 1.951 0.499 715 HD13 LEU 81 3HD1 LEU 81 2.058 3.067 0.135 716 HD21 LEU 81 3HD2 LEU 81 2.309 0.743 -2.856 717 HD22 LEU 81 1HD2 LEU 81 1.171 1.334 -1.640 718 HD23 LEU 81 2HD2 LEU 81 2.516 0.292 -1.167 719 H ASN 82 H ASN 82 3.379 5.647 -4.943 720 HA ASN 82 HA ASN 82 0.755 6.403 -5.730 721 HB2 ASN 82 2HB ASN 82 2.870 7.893 -5.346 722 HB3 ASN 82 3HB ASN 82 3.249 7.576 -7.026 723 HD21 ASN 82 1HD2 ASN 82 0.362 7.742 -7.887 724 HD22 ASN 82 2HD2 ASN 82 -0.020 9.409 -7.804 725 H LYS 83 H LYS 83 3.417 4.872 -7.526 726 HA LYS 83 HA LYS 83 2.272 4.822 -10.112 727 HB2 LYS 83 2HB LYS 83 4.212 2.842 -8.828 728 HB3 LYS 83 3HB LYS 83 3.788 2.836 -10.536 729 HG2 LYS 83 2HG LYS 83 5.212 5.076 -9.070 730 HG3 LYS 83 3HG LYS 83 5.968 3.894 -10.142 731 HD2 LYS 83 2HD LYS 83 4.656 4.770 -12.045 732 HD3 LYS 83 3HD LYS 83 3.852 5.922 -10.975 733 HE2 LYS 83 2HE LYS 83 6.029 7.008 -10.520 734 HE3 LYS 83 3HE LYS 83 6.824 5.863 -11.604 735 HZ1 LYS 83 3HZ LYS 83 6.385 7.940 -12.729 736 HZ2 LYS 83 1HZ LYS 83 4.734 7.833 -12.372 737 HZ3 LYS 83 2HZ LYS 83 5.448 6.716 -13.419 738 H VAL 84 H VAL 84 2.061 2.564 -7.382 739 HA VAL 84 HA VAL 84 0.712 0.437 -8.683 740 HB VAL 84 HB VAL 84 0.929 1.192 -5.727 741 HG11 VAL 84 1HG1 VAL 84 0.257 -1.142 -5.199 742 HG12 VAL 84 2HG1 VAL 84 -0.122 -1.403 -6.901 743 HG13 VAL 84 3HG1 VAL 84 -1.042 -0.227 -5.967 744 HG21 VAL 84 3HG2 VAL 84 2.451 -0.877 -7.363 745 HG22 VAL 84 1HG2 VAL 84 2.646 -0.592 -5.630 746 HG23 VAL 84 2HG2 VAL 84 3.089 0.664 -6.786 747 H PHE 85 H PHE 85 -0.433 3.116 -6.649 748 HA PHE 85 HA PHE 85 -3.209 2.588 -6.710 749 HB2 PHE 85 2HB PHE 85 -1.876 5.321 -6.431 750 HB3 PHE 85 3HB PHE 85 -3.536 4.933 -5.982 751 HD1 PHE 85 HD1 PHE 85 -3.093 2.274 -4.597 752 HD2 PHE 85 HD2 PHE 85 -0.941 5.967 -4.343 753 HE1 PHE 85 HE1 PHE 85 -2.320 1.683 -2.336 754 HE2 PHE 85 HE2 PHE 85 -0.174 5.359 -2.090 755 HZ PHE 85 HZ PHE 85 -0.856 3.220 -1.089 756 H ALA 86 H ALA 86 -1.140 4.505 -8.852 757 HA ALA 86 HA ALA 86 -3.194 5.508 -10.565 758 HB1 ALA 86 3HB ALA 86 -1.010 6.614 -10.363 759 HB2 ALA 86 1HB ALA 86 -1.339 6.186 -12.041 760 HB3 ALA 86 2HB ALA 86 -0.212 5.216 -11.086 761 H GLU 87 H GLU 87 -1.425 2.496 -10.433 762 HA GLU 87 HA GLU 87 -2.215 1.579 -13.081 763 HB2 GLU 87 2HB GLU 87 -0.784 0.192 -10.778 764 HB3 GLU 87 3HB GLU 87 -1.150 -0.596 -12.314 765 HG2 GLU 87 2HG GLU 87 0.250 1.049 -13.503 766 HG3 GLU 87 3HG GLU 87 0.600 1.857 -11.978 767 H LEU 88 H LEU 88 -3.715 1.764 -10.052 768 HA LEU 88 HA LEU 88 -5.514 -0.523 -10.581 769 HB2 LEU 88 2HB LEU 88 -5.169 1.192 -8.074 770 HB3 LEU 88 3HB LEU 88 -6.369 -0.082 -8.247 771 HG LEU 88 HG LEU 88 -3.347 -0.454 -8.220 772 HD11 LEU 88 1HD1 LEU 88 -3.683 -1.674 -6.130 773 HD12 LEU 88 2HD1 LEU 88 -5.418 -1.334 -6.189 774 HD13 LEU 88 3HD1 LEU 88 -4.263 -0.013 -5.997 775 HD21 LEU 88 3HD2 LEU 88 -5.501 -2.561 -8.563 776 HD22 LEU 88 1HD2 LEU 88 -3.779 -2.877 -8.316 777 HD23 LEU 88 2HD2 LEU 88 -4.321 -2.051 -9.773 778 H GLY 89 H GLY 89 -5.341 2.986 -10.341 779 HA2 GLY 89 2HA GLY 89 -6.973 4.100 -11.907 780 HA3 GLY 89 3HA GLY 89 -8.229 3.270 -10.997 781 H TYR 90 H TYR 90 -6.384 3.779 -8.525 782 HA TYR 90 HA TYR 90 -7.748 6.095 -7.565 783 HB2 TYR 90 2HB TYR 90 -5.324 4.679 -6.361 784 HB3 TYR 90 3HB TYR 90 -6.376 5.814 -5.516 785 HD1 TYR 90 HD2 TYR 90 -9.064 4.967 -6.219 786 HD2 TYR 90 HD1 TYR 90 -5.639 2.549 -5.357 787 HE1 TYR 90 HE2 TYR 90 -10.532 3.130 -5.543 788 HE2 TYR 90 HE1 TYR 90 -7.120 0.702 -4.671 789 HH TYR 90 HH TYR 90 -10.335 0.590 -5.478 790 H ASN 91 H ASN 91 -6.933 8.135 -7.049 791 HA ASN 91 HA ASN 91 -4.785 9.098 -8.809 792 HB2 ASN 91 2HB ASN 91 -6.793 10.683 -7.138 793 HB3 ASN 91 3HB ASN 91 -5.692 11.347 -8.344 794 HD21 ASN 91 1HD2 ASN 91 -6.150 10.998 -10.561 795 HD22 ASN 91 2HD2 ASN 91 -7.705 10.475 -11.097 796 H ASP 92 H ASP 92 -3.195 10.570 -8.007 797 HA ASP 92 HA ASP 92 -1.951 9.994 -5.532 798 HB2 ASP 92 2HB ASP 92 -0.452 11.896 -6.067 799 HB3 ASP 92 3HB ASP 92 -0.672 10.838 -7.452 800 H SER 93 H SER 93 -4.411 12.282 -6.446 801 HA SER 93 HA SER 93 -4.315 14.057 -4.237 802 HB2 SER 93 2HB SER 93 -6.617 14.706 -4.964 803 HB3 SER 93 3HB SER 93 -5.494 14.618 -6.318 804 HG SER 93 HG SER 93 -7.780 13.404 -6.120 805 H ASN 94 H ASN 94 -5.224 10.773 -4.325 806 HA ASN 94 HA ASN 94 -7.014 10.873 -1.994 807 HB2 ASN 94 2HB ASN 94 -5.943 8.499 -3.598 808 HB3 ASN 94 3HB ASN 94 -7.125 8.387 -2.297 809 HD21 ASN 94 1HD2 ASN 94 -8.703 10.683 -3.018 810 HD22 ASN 94 2HD2 ASN 94 -9.514 10.300 -4.496 811 H VAL 95 H VAL 95 -3.700 10.702 -2.654 812 HA VAL 95 HA VAL 95 -2.942 8.774 -0.582 813 HB VAL 95 HB VAL 95 -1.277 10.222 -2.709 814 HG11 VAL 95 1HG1 VAL 95 0.477 8.567 -2.293 815 HG12 VAL 95 2HG1 VAL 95 -0.496 7.819 -1.028 816 HG13 VAL 95 3HG1 VAL 95 0.116 9.460 -0.812 817 HG21 VAL 95 3HG2 VAL 95 -2.988 8.760 -3.719 818 HG22 VAL 95 1HG2 VAL 95 -2.405 7.397 -2.760 819 HG23 VAL 95 2HG2 VAL 95 -1.366 8.119 -3.992 820 H THR 96 H THR 96 -2.619 9.584 1.448 821 HA THR 96 HA THR 96 -1.271 12.214 1.806 822 HB THR 96 HB THR 96 -3.311 10.870 3.646 823 HG1 THR 96 HG1 THR 96 -3.510 12.723 1.578 824 HG21 THR 96 3HG2 THR 96 -3.297 13.006 4.902 825 HG22 THR 96 1HG2 THR 96 -1.994 13.608 3.880 826 HG23 THR 96 2HG2 THR 96 -1.711 12.232 4.953 827 H TRP 97 H TRP 97 0.810 11.786 2.299 828 HA TRP 97 HA TRP 97 1.615 9.425 3.823 829 HB2 TRP 97 2HB TRP 97 3.130 11.536 2.250 830 HB3 TRP 97 3HB TRP 97 3.989 10.524 3.409 831 HD1 TRP 97 HD1 TRP 97 2.396 10.357 -0.057 832 HE1 TRP 97 HE1 TRP 97 2.893 8.045 -1.071 833 HE3 TRP 97 HE3 TRP 97 4.389 8.058 4.064 834 HZ2 TRP 97 HZ2 TRP 97 3.991 5.587 -0.238 835 HZ3 TRP 97 HZ3 TRP 97 5.139 5.721 3.871 836 HH2 TRP 97 HH2 TRP 97 4.942 4.512 1.757 837 H ASP 98 H ASP 98 1.718 9.457 5.932 838 HA ASP 98 HA ASP 98 2.722 11.822 7.403 839 HB2 ASP 98 2HB ASP 98 0.909 9.577 8.420 840 HB3 ASP 98 3HB ASP 98 1.546 10.892 9.401 841 H GLY 99 H GLY 99 4.829 11.137 6.836 842 HA2 GLY 99 2HA GLY 99 6.876 10.307 7.425 843 HA3 GLY 99 3HA GLY 99 6.108 9.377 8.702 844 H ASP 100 H ASP 100 6.149 7.242 8.448 845 HA ASP 100 HA ASP 100 6.896 6.035 5.865 846 HB2 ASP 100 2HB ASP 100 6.863 4.844 8.678 847 HB3 ASP 100 3HB ASP 100 7.422 4.012 7.233 848 H THR 101 H THR 101 4.058 6.782 7.308 849 HA THR 101 HA THR 101 2.639 4.366 6.320 850 HB THR 101 HB THR 101 1.739 6.266 8.549 851 HG1 THR 101 HG1 THR 101 3.545 4.778 9.011 852 HG21 THR 101 3HG2 THR 101 0.511 3.631 7.610 853 HG22 THR 101 1HG2 THR 101 -0.187 5.236 7.357 854 HG23 THR 101 2HG2 THR 101 -0.033 4.586 8.989 855 H VAL 102 H VAL 102 0.999 4.752 4.864 856 HA VAL 102 HA VAL 102 0.242 7.559 4.283 857 HB VAL 102 HB VAL 102 1.567 6.717 2.426 858 HG11 VAL 102 1HG1 VAL 102 1.316 4.299 2.713 859 HG12 VAL 102 2HG1 VAL 102 0.951 4.774 1.053 860 HG13 VAL 102 3HG1 VAL 102 -0.363 4.391 2.169 861 HG21 VAL 102 3HG2 VAL 102 -0.295 8.193 1.862 862 HG22 VAL 102 1HG2 VAL 102 -1.373 6.807 1.680 863 HG23 VAL 102 2HG2 VAL 102 -0.023 7.029 0.565 864 H THR 103 H THR 103 -1.848 8.001 4.569 865 HA THR 103 HA THR 103 -3.876 5.861 4.682 866 HB THR 103 HB THR 103 -4.018 8.779 5.594 867 HG1 THR 103 HG1 THR 103 -2.925 6.685 6.775 868 HG21 THR 103 3HG2 THR 103 -6.045 6.527 5.951 869 HG22 THR 103 1HG2 THR 103 -6.257 7.972 4.943 870 HG23 THR 103 2HG2 THR 103 -6.149 8.120 6.695 871 H VAL 104 H VAL 104 -4.506 5.507 2.645 872 HA VAL 104 HA VAL 104 -4.897 7.659 0.688 873 HB VAL 104 HB VAL 104 -5.146 4.616 0.365 874 HG11 VAL 104 1HG1 VAL 104 -5.045 5.041 -2.073 875 HG12 VAL 104 2HG1 VAL 104 -5.046 6.781 -1.775 876 HG13 VAL 104 3HG1 VAL 104 -6.455 5.812 -1.339 877 HG21 VAL 104 3HG2 VAL 104 -2.827 6.427 -0.393 878 HG22 VAL 104 1HG2 VAL 104 -2.949 4.700 -0.733 879 HG23 VAL 104 2HG2 VAL 104 -2.844 5.264 0.936 880 H GLU 105 H GLU 105 -6.874 8.612 0.757 881 HA GLU 105 HA GLU 105 -9.218 7.026 1.619 882 HB2 GLU 105 2HB GLU 105 -10.200 9.210 2.358 883 HB3 GLU 105 3HB GLU 105 -8.784 8.719 3.279 884 HG2 GLU 105 2HG GLU 105 -7.395 10.343 2.100 885 HG3 GLU 105 3HG GLU 105 -8.747 10.779 1.052 886 H GLY 106 H GLY 106 -10.549 6.639 0.025 887 HA2 GLY 106 2HA GLY 106 -11.345 8.569 -1.941 888 HA3 GLY 106 3HA GLY 106 -10.265 7.340 -2.607 889 H GLN 107 H GLN 107 -12.410 7.171 -3.821 890 HA GLN 107 HA GLN 107 -14.205 5.197 -2.547 891 HB2 GLN 107 2HB GLN 107 -14.537 6.693 -5.195 892 HB3 GLN 107 3HB GLN 107 -15.753 5.706 -4.378 893 HG2 GLN 107 2HG GLN 107 -15.709 7.312 -2.472 894 HG3 GLN 107 3HG GLN 107 -14.592 8.320 -3.383 895 HE21 GLN 107 1HE2 GLN 107 -17.880 7.216 -3.106 896 HE22 GLN 107 2HE2 GLN 107 -18.566 8.381 -4.182 897 H LEU 108 H LEU 108 -14.758 3.300 -3.870 898 HA LEU 108 HA LEU 108 -12.569 1.900 -4.909 899 HB2 LEU 108 2HB LEU 108 -15.559 1.486 -5.246 900 HB3 LEU 108 3HB LEU 108 -14.370 0.330 -5.839 901 HG LEU 108 HG LEU 108 -14.815 1.097 -2.920 902 HD11 LEU 108 1HD1 LEU 108 -15.426 -1.498 -4.364 903 HD12 LEU 108 2HD1 LEU 108 -16.612 -0.309 -3.816 904 HD13 LEU 108 3HD1 LEU 108 -15.639 -1.185 -2.638 905 HD21 LEU 108 3HD2 LEU 108 -13.195 -0.663 -2.371 906 HD22 LEU 108 1HD2 LEU 108 -12.449 0.611 -3.333 907 HD23 LEU 108 2HD2 LEU 108 -12.875 -0.928 -4.087 908 H GLU 109 H GLU 109 -11.582 2.000 -6.796 909 HA GLU 109 HA GLU 109 -12.083 3.882 -8.822 910 HB2 GLU 109 2HB GLU 109 -10.226 2.917 -9.998 911 HB3 GLU 109 3HB GLU 109 -9.847 2.786 -8.290 912 HG2 GLU 109 2HG GLU 109 -10.991 0.494 -9.902 913 HG3 GLU 109 3HG GLU 109 -9.272 0.790 -9.768 914 H GLY 110 H GLY 110 -13.086 0.572 -8.422 915 HA2 GLY 110 2HA GLY 110 -15.426 0.731 -9.856 916 HA3 GLY 110 3HA GLY 110 -14.226 0.112 -10.996 917 H VAL 111 H VAL 111 -16.615 -1.068 -9.429 918 HA VAL 111 HA VAL 111 -15.693 -3.352 -8.025 919 HB VAL 111 HB VAL 111 -18.143 -3.105 -9.850 920 HG11 VAL 111 1HG1 VAL 111 -19.121 -4.968 -8.565 921 HG12 VAL 111 2HG1 VAL 111 -17.632 -5.124 -7.631 922 HG13 VAL 111 3HG1 VAL 111 -17.626 -5.463 -9.362 923 HG21 VAL 111 3HG2 VAL 111 -18.155 -1.381 -8.096 924 HG22 VAL 111 1HG2 VAL 111 -17.950 -2.615 -6.852 925 HG23 VAL 111 2HG2 VAL 111 -19.431 -2.565 -7.814 926 H ASP 112 H ASP 112 -16.381 -2.737 -11.439 927 HA ASP 112 HA ASP 112 -14.281 -4.642 -12.258 928 HB2 ASP 112 2HB ASP 112 -16.568 -5.625 -12.703 929 HB3 ASP 112 3HB ASP 112 -16.926 -4.247 -13.737 930 H LEU 113 H LEU 113 -13.135 -3.936 -14.159 931 HA LEU 113 HA LEU 113 -13.175 -0.975 -14.426 932 HB2 LEU 113 2HB LEU 113 -10.831 -2.895 -14.760 933 HB3 LEU 113 3HB LEU 113 -10.749 -1.137 -14.802 934 HG LEU 113 HG LEU 113 -11.404 -2.854 -12.373 935 HD11 LEU 113 1HD1 LEU 113 -9.308 -1.992 -11.444 936 HD12 LEU 113 2HD1 LEU 113 -8.984 -1.125 -12.947 937 HD13 LEU 113 3HD1 LEU 113 -9.035 -2.889 -12.937 938 HD21 LEU 113 3HD2 LEU 113 -11.305 0.170 -12.584 939 HD22 LEU 113 1HD2 LEU 113 -11.437 -0.750 -11.082 940 HD23 LEU 113 2HD2 LEU 113 -12.730 -0.824 -12.273 941 H GLU 114 H GLU 114 -12.017 -0.225 -16.505 942 HA GLU 114 HA GLU 114 -13.217 -1.145 -18.885 943 HB2 GLU 114 2HB GLU 114 -10.656 0.469 -18.500 944 HB3 GLU 114 3HB GLU 114 -11.439 0.225 -20.060 945 HG2 GLU 114 2HG GLU 114 -12.598 1.681 -17.667 946 HG3 GLU 114 3HG GLU 114 -11.989 2.418 -19.146 947 H HIS 115 H HIS 115 -10.037 -1.798 -17.453 948 HA HIS 115 HA HIS 115 -9.609 -4.122 -19.161 949 HB2 HIS 115 2HB HIS 115 -8.123 -3.136 -16.679 950 HB3 HIS 115 3HB HIS 115 -7.670 -4.562 -17.605 951 HD1 HIS 115 HD1 HIS 115 -6.538 -1.324 -17.198 952 HD2 HIS 115 HD2 HIS 115 -7.401 -3.584 -20.570 953 HE1 HIS 115 HE1 HIS 115 -5.194 -0.303 -19.053 954 HE2 HIS 115 HE2 HIS 115 -5.750 -1.671 -21.087 955 H HIS 116 H HIS 116 -11.413 -5.383 -18.837 956 HA HIS 116 HA HIS 116 -12.734 -5.755 -16.349 957 HB2 HIS 116 2HB HIS 116 -12.972 -7.340 -18.949 958 HB3 HIS 116 3HB HIS 116 -14.036 -7.553 -17.563 959 HD1 HIS 116 HD1 HIS 116 -16.093 -6.173 -17.585 960 HD2 HIS 116 HD2 HIS 116 -13.165 -4.559 -20.040 961 HE1 HIS 116 HE1 HIS 116 -17.164 -4.206 -18.702 962 HE2 HIS 116 HE2 HIS 116 -15.311 -3.129 -20.007 963 H HIS 117 H HIS 117 -11.355 -6.484 -14.815 964 HA HIS 117 HA HIS 117 -10.489 -9.305 -14.903 965 HB2 HIS 117 2HB HIS 117 -8.691 -6.966 -14.077 966 HB3 HIS 117 3HB HIS 117 -8.302 -8.659 -13.813 967 HD1 HIS 117 HD1 HIS 117 -8.374 -10.072 -16.291 968 HD2 HIS 117 HD2 HIS 117 -7.434 -6.022 -16.290 969 HE1 HIS 117 HE1 HIS 117 -7.242 -9.634 -18.488 970 HE2 HIS 117 HE2 HIS 117 -6.816 -7.160 -18.522 971 H HIS 118 H HIS 118 -12.727 -7.820 -13.647 972 HA HIS 118 HA HIS 118 -12.440 -7.487 -10.893 973 HB2 HIS 118 2HB HIS 118 -14.881 -7.879 -10.710 974 HB3 HIS 118 3HB HIS 118 -14.502 -6.833 -12.069 975 HD1 HIS 118 HD1 HIS 118 -16.760 -9.375 -11.307 976 HD2 HIS 118 HD2 HIS 118 -14.291 -8.731 -14.578 977 HE1 HIS 118 HE1 HIS 118 -17.751 -10.714 -13.172 978 HE2 HIS 118 HE2 HIS 118 -16.113 -10.481 -15.059 979 H HIS 119 H HIS 119 -11.879 -8.854 -9.321 980 HA HIS 119 HA HIS 119 -11.436 -11.651 -9.854 981 HB2 HIS 119 2HB HIS 119 -9.981 -10.088 -8.387 982 HB3 HIS 119 3HB HIS 119 -11.180 -10.331 -7.120 983 HD1 HIS 119 HD1 HIS 119 -11.093 -12.557 -5.863 984 HD2 HIS 119 HD2 HIS 119 -8.464 -12.408 -9.071 985 HE1 HIS 119 HE1 HIS 119 -9.591 -14.552 -5.597 986 HE2 HIS 119 HE2 HIS 119 -7.889 -14.303 -7.435 987 H HIS 120 H HIS 120 -13.686 -9.749 -7.872 988 HA HIS 120 HA HIS 120 -15.530 -12.039 -7.692 989 HB2 HIS 120 2HB HIS 120 -15.493 -9.252 -6.489 990 HB3 HIS 120 3HB HIS 120 -17.027 -10.095 -6.640 991 HD1 HIS 120 HD1 HIS 120 -14.125 -9.791 -4.465 992 HD2 HIS 120 HD2 HIS 120 -17.105 -12.603 -5.144 993 HE1 HIS 120 HE1 HIS 120 -14.197 -11.216 -2.399 994 HE2 HIS 120 HE2 HIS 120 -16.006 -12.903 -2.833 Start of MODEL 3 1 H1 MET 1 1H MET 1 23.304 -0.912 0.042 2 H2 MET 1 2H MET 1 23.166 -0.901 1.724 3 H3 MET 1 3H MET 1 22.421 0.309 0.807 4 HA MET 1 HA MET 1 20.802 -1.282 1.582 5 HB2 MET 1 2HB MET 1 19.720 -1.759 -0.559 6 HB3 MET 1 3HB MET 1 20.464 -0.171 -0.621 7 HG2 MET 1 2HG MET 1 22.309 -1.043 -1.967 8 HG3 MET 1 3HG MET 1 21.664 -2.679 -1.837 9 HE1 MET 1 3HE MET 1 18.344 -2.378 -3.970 10 HE2 MET 1 1HE MET 1 18.483 -2.175 -2.225 11 HE3 MET 1 2HE MET 1 19.367 -3.471 -3.036 12 H SER 2 H SER 2 19.828 -3.442 1.049 13 HA SER 2 HA SER 2 21.577 -5.563 0.114 14 HB2 SER 2 2HB SER 2 22.030 -5.410 2.598 15 HB3 SER 2 3HB SER 2 20.317 -5.696 2.903 16 HG SER 2 HG SER 2 22.159 -7.450 1.632 17 H GLY 3 H GLY 3 20.256 -7.604 -0.112 18 HA2 GLY 3 2HA GLY 3 17.578 -7.192 -1.029 19 HA3 GLY 3 3HA GLY 3 18.360 -8.745 -0.744 20 H LYS 4 H LYS 4 16.196 -6.405 0.534 21 HA LYS 4 HA LYS 4 16.209 -7.637 3.236 22 HB2 LYS 4 2HB LYS 4 17.051 -5.286 3.165 23 HB3 LYS 4 3HB LYS 4 15.551 -4.766 2.417 24 HG2 LYS 4 2HG LYS 4 15.184 -4.128 4.598 25 HG3 LYS 4 3HG LYS 4 14.443 -5.722 4.623 26 HD2 LYS 4 2HD LYS 4 17.288 -5.167 5.555 27 HD3 LYS 4 3HD LYS 4 15.894 -5.125 6.625 28 HE2 LYS 4 2HE LYS 4 15.475 -7.507 6.198 29 HE3 LYS 4 3HE LYS 4 16.846 -7.561 5.086 30 HZ1 LYS 4 3HZ LYS 4 17.442 -8.395 7.282 31 HZ2 LYS 4 1HZ LYS 4 17.003 -6.924 7.990 32 HZ3 LYS 4 2HZ LYS 4 18.315 -6.993 6.927 33 H LYS 5 H LYS 5 14.249 -8.081 4.214 34 HA LYS 5 HA LYS 5 11.799 -8.055 2.652 35 HB2 LYS 5 2HB LYS 5 12.313 -9.960 4.134 36 HB3 LYS 5 3HB LYS 5 12.385 -8.885 5.526 37 HG2 LYS 5 2HG LYS 5 9.920 -8.325 5.020 38 HG3 LYS 5 3HG LYS 5 9.948 -9.701 3.916 39 HD2 LYS 5 2HD LYS 5 10.527 -9.798 6.903 40 HD3 LYS 5 3HD LYS 5 9.038 -10.324 6.123 41 HE2 LYS 5 2HE LYS 5 10.233 -12.115 4.965 42 HE3 LYS 5 3HE LYS 5 11.770 -11.561 5.636 43 HZ1 LYS 5 3HZ LYS 5 10.954 -12.069 7.846 44 HZ2 LYS 5 1HZ LYS 5 10.868 -13.440 6.863 45 HZ3 LYS 5 2HZ LYS 5 9.466 -12.569 7.223 46 H VAL 6 H VAL 6 10.577 -6.270 2.589 47 HA VAL 6 HA VAL 6 10.349 -4.470 4.929 48 HB VAL 6 HB VAL 6 10.714 -3.011 3.091 49 HG11 VAL 6 1HG1 VAL 6 10.650 -4.708 1.291 50 HG12 VAL 6 2HG1 VAL 6 9.729 -3.273 0.834 51 HG13 VAL 6 3HG1 VAL 6 8.887 -4.731 1.367 52 HG21 VAL 6 3HG2 VAL 6 8.669 -2.339 4.278 53 HG22 VAL 6 1HG2 VAL 6 7.692 -3.288 3.157 54 HG23 VAL 6 2HG2 VAL 6 8.590 -1.883 2.575 55 H GLU 7 H GLU 7 8.381 -4.361 5.972 56 HA GLU 7 HA GLU 7 6.315 -6.329 5.155 57 HB2 GLU 7 2HB GLU 7 7.015 -5.275 7.918 58 HB3 GLU 7 3HB GLU 7 5.617 -6.282 7.572 59 HG2 GLU 7 2HG GLU 7 7.109 -8.104 6.839 60 HG3 GLU 7 3HG GLU 7 8.507 -7.090 7.180 61 H VAL 8 H VAL 8 4.605 -5.423 4.317 62 HA VAL 8 HA VAL 8 4.056 -2.546 4.625 63 HB VAL 8 HB VAL 8 3.067 -4.586 2.564 64 HG11 VAL 8 1HG1 VAL 8 2.160 -2.691 1.292 65 HG12 VAL 8 2HG1 VAL 8 2.638 -1.578 2.574 66 HG13 VAL 8 3HG1 VAL 8 1.394 -2.790 2.881 67 HG21 VAL 8 3HG2 VAL 8 4.568 -3.409 0.994 68 HG22 VAL 8 1HG2 VAL 8 5.470 -4.080 2.358 69 HG23 VAL 8 2HG2 VAL 8 5.114 -2.351 2.299 70 H GLN 9 H GLN 9 2.510 -1.977 6.059 71 HA GLN 9 HA GLN 9 0.557 -3.961 7.054 72 HB2 GLN 9 2HB GLN 9 1.327 -1.197 8.139 73 HB3 GLN 9 3HB GLN 9 0.210 -2.320 8.908 74 HG2 GLN 9 2HG GLN 9 2.028 -3.903 9.320 75 HG3 GLN 9 3HG GLN 9 3.155 -2.860 8.452 76 HE21 GLN 9 1HE2 GLN 9 1.260 -3.196 11.393 77 HE22 GLN 9 2HE2 GLN 9 2.089 -1.977 12.295 78 H VAL 10 H VAL 10 -1.117 -3.927 5.598 79 HA VAL 10 HA VAL 10 -2.118 -1.394 4.485 80 HB VAL 10 HB VAL 10 -2.842 -4.291 3.796 81 HG11 VAL 10 1HG1 VAL 10 -4.729 -2.786 3.314 82 HG12 VAL 10 2HG1 VAL 10 -4.002 -3.373 1.817 83 HG13 VAL 10 3HG1 VAL 10 -3.665 -1.734 2.377 84 HG21 VAL 10 3HG2 VAL 10 -1.094 -2.315 2.284 85 HG22 VAL 10 1HG2 VAL 10 -1.545 -3.927 1.720 86 HG23 VAL 10 2HG2 VAL 10 -0.531 -3.744 3.153 87 H LYS 11 H LYS 11 -3.549 -0.387 5.805 88 HA LYS 11 HA LYS 11 -5.522 -1.975 7.353 89 HB2 LYS 11 2HB LYS 11 -4.076 -0.550 8.758 90 HB3 LYS 11 3HB LYS 11 -4.450 0.857 7.764 91 HG2 LYS 11 2HG LYS 11 -6.879 0.565 8.457 92 HG3 LYS 11 3HG LYS 11 -6.328 -0.640 9.617 93 HD2 LYS 11 2HD LYS 11 -5.452 2.273 9.556 94 HD3 LYS 11 3HD LYS 11 -6.668 1.598 10.639 95 HE2 LYS 11 2HE LYS 11 -4.940 0.122 11.635 96 HE3 LYS 11 3HE LYS 11 -3.727 0.848 10.574 97 HZ1 LYS 11 3HZ LYS 11 -3.738 1.816 12.802 98 HZ2 LYS 11 1HZ LYS 11 -5.336 2.326 12.592 99 HZ3 LYS 11 2HZ LYS 11 -4.107 2.973 11.626 100 H ILE 12 H ILE 12 -7.302 -2.130 5.994 101 HA ILE 12 HA ILE 12 -8.234 0.307 4.599 102 HB ILE 12 HB ILE 12 -7.833 -1.478 3.038 103 HG12 ILE 12 2HG1 ILE 12 -10.840 -1.240 3.479 104 HG13 ILE 12 3HG1 ILE 12 -9.844 -0.035 2.671 105 HG21 ILE 12 1HG2 ILE 12 -7.916 -3.439 4.520 106 HG22 ILE 12 2HG2 ILE 12 -8.941 -3.688 3.105 107 HG23 ILE 12 3HG2 ILE 12 -9.668 -3.276 4.659 108 HD11 ILE 12 3HD1 ILE 12 -9.327 -1.652 0.924 109 HD12 ILE 12 1HD1 ILE 12 -11.059 -1.375 1.090 110 HD13 ILE 12 2HD1 ILE 12 -10.339 -2.848 1.737 111 H THR 13 H THR 13 -10.075 1.237 5.183 112 HA THR 13 HA THR 13 -11.799 0.044 7.246 113 HB THR 13 HB THR 13 -11.802 2.939 6.258 114 HG1 THR 13 HG1 THR 13 -9.747 2.101 7.234 115 HG21 THR 13 3HG2 THR 13 -12.870 3.413 8.437 116 HG22 THR 13 1HG2 THR 13 -12.810 1.704 8.859 117 HG23 THR 13 2HG2 THR 13 -13.831 2.247 7.523 118 H CYS 14 H CYS 14 -13.409 -1.124 6.313 119 HA CYS 14 HA CYS 14 -14.975 0.014 4.082 120 HB2 CYS 14 2HB CYS 14 -13.593 -1.733 3.105 121 HB3 CYS 14 3HB CYS 14 -14.038 -2.869 4.376 122 H ASN 15 H ASN 15 -16.983 0.305 4.698 123 HA ASN 15 HA ASN 15 -18.977 0.237 5.737 124 HB2 ASN 15 2HB ASN 15 -19.132 -1.898 4.464 125 HB3 ASN 15 3HB ASN 15 -18.442 -2.769 5.829 126 HD21 ASN 15 1HD2 ASN 15 -20.206 -4.086 6.244 127 HD22 ASN 15 2HD2 ASN 15 -21.745 -3.499 6.756 128 H GLY 16 H GLY 16 -17.176 1.161 7.374 129 HA2 GLY 16 2HA GLY 16 -16.999 1.835 9.542 130 HA3 GLY 16 3HA GLY 16 -18.362 0.803 9.931 131 H LYS 17 H LYS 17 -15.900 -1.006 8.498 132 HA LYS 17 HA LYS 17 -14.840 -1.884 11.122 133 HB2 LYS 17 2HB LYS 17 -15.387 -3.492 8.593 134 HB3 LYS 17 3HB LYS 17 -14.537 -4.124 9.997 135 HG2 LYS 17 2HG LYS 17 -16.611 -3.730 11.369 136 HG3 LYS 17 3HG LYS 17 -17.433 -3.226 9.887 137 HD2 LYS 17 2HD LYS 17 -17.948 -5.582 10.427 138 HD3 LYS 17 3HD LYS 17 -17.078 -5.457 8.898 139 HE2 LYS 17 2HE LYS 17 -14.978 -6.102 10.055 140 HE3 LYS 17 3HE LYS 17 -15.862 -6.241 11.575 141 HZ1 LYS 17 3HZ LYS 17 -15.548 -8.390 10.540 142 HZ2 LYS 17 1HZ LYS 17 -16.334 -7.881 9.140 143 HZ3 LYS 17 2HZ LYS 17 -17.193 -8.011 10.590 144 H THR 18 H THR 18 -12.674 -2.166 11.338 145 HA THR 18 HA THR 18 -10.909 -1.110 9.214 146 HB THR 18 HB THR 18 -10.482 -1.392 12.226 147 HG1 THR 18 HG1 THR 18 -11.965 0.281 11.384 148 HG21 THR 18 3HG2 THR 18 -8.443 -0.052 11.916 149 HG22 THR 18 1HG2 THR 18 -8.680 -0.074 10.170 150 HG23 THR 18 2HG2 THR 18 -8.322 -1.576 11.029 151 H TYR 19 H TYR 19 -9.783 -2.585 8.099 152 HA TYR 19 HA TYR 19 -9.147 -5.248 9.230 153 HB2 TYR 19 2HB TYR 19 -9.392 -4.519 6.272 154 HB3 TYR 19 3HB TYR 19 -9.218 -6.125 6.960 155 HD1 TYR 19 HD1 TYR 19 -11.149 -7.193 8.155 156 HD2 TYR 19 HD2 TYR 19 -11.552 -3.461 6.110 157 HE1 TYR 19 HE1 TYR 19 -13.587 -7.453 8.158 158 HE2 TYR 19 HE2 TYR 19 -13.991 -3.722 6.117 159 HH TYR 19 HH TYR 19 -15.654 -5.445 6.317 160 H GLU 20 H GLU 20 -7.058 -4.917 9.984 161 HA GLU 20 HA GLU 20 -5.084 -3.874 8.020 162 HB2 GLU 20 2HB GLU 20 -3.689 -3.118 9.869 163 HB3 GLU 20 3HB GLU 20 -5.276 -2.368 9.934 164 HG2 GLU 20 2HG GLU 20 -5.937 -3.796 11.790 165 HG3 GLU 20 3HG GLU 20 -4.433 -4.711 11.668 166 H ARG 21 H ARG 21 -3.352 -5.049 7.536 167 HA ARG 21 HA ARG 21 -2.611 -7.424 9.068 168 HB2 ARG 21 2HB ARG 21 -4.332 -8.230 7.465 169 HB3 ARG 21 3HB ARG 21 -3.419 -7.548 6.125 170 HG2 ARG 21 2HG ARG 21 -1.597 -9.134 6.498 171 HG3 ARG 21 3HG ARG 21 -2.398 -9.762 7.941 172 HD2 ARG 21 2HD ARG 21 -4.247 -10.625 6.570 173 HD3 ARG 21 3HD ARG 21 -3.523 -9.922 5.122 174 HE ARG 21 HE ARG 21 -1.827 -11.546 5.170 175 HH11 ARG 21 1HH1 ARG 21 -4.152 -12.111 7.739 176 HH12 ARG 21 2HH1 ARG 21 -3.642 -13.746 8.002 177 HH21 ARG 21 1HH2 ARG 21 -1.169 -13.692 5.540 178 HH22 ARG 21 2HH2 ARG 21 -1.964 -14.631 6.762 179 H THR 22 H THR 22 -0.471 -7.911 8.878 180 HA THR 22 HA THR 22 1.242 -5.995 7.444 181 HB THR 22 HB THR 22 1.946 -7.970 9.666 182 HG1 THR 22 HG1 THR 22 0.669 -5.554 9.720 183 HG21 THR 22 3HG2 THR 22 3.914 -7.250 8.348 184 HG22 THR 22 1HG2 THR 22 3.953 -6.563 9.974 185 HG23 THR 22 2HG2 THR 22 3.467 -5.563 8.605 186 H TYR 23 H TYR 23 1.820 -6.701 5.458 187 HA TYR 23 HA TYR 23 2.034 -9.565 4.807 188 HB2 TYR 23 2HB TYR 23 2.025 -7.120 2.969 189 HB3 TYR 23 3HB TYR 23 1.968 -8.800 2.446 190 HD1 TYR 23 HD1 TYR 23 0.030 -6.089 4.094 191 HD2 TYR 23 HD2 TYR 23 -0.144 -10.038 2.468 192 HE1 TYR 23 HE1 TYR 23 -2.423 -6.003 4.149 193 HE2 TYR 23 HE2 TYR 23 -2.601 -9.947 2.519 194 HH TYR 23 HH TYR 23 -4.337 -7.064 3.020 195 H GLN 24 H GLN 24 3.972 -10.472 4.485 196 HA GLN 24 HA GLN 24 6.409 -8.863 4.804 197 HB2 GLN 24 2HB GLN 24 5.955 -11.894 4.765 198 HB3 GLN 24 3HB GLN 24 7.543 -11.147 4.895 199 HG2 GLN 24 2HG GLN 24 6.839 -11.805 7.103 200 HG3 GLN 24 3HG GLN 24 6.822 -10.043 7.016 201 HE21 GLN 24 1HE2 GLN 24 5.332 -9.742 8.673 202 HE22 GLN 24 2HE2 GLN 24 3.675 -10.221 8.554 203 H LEU 25 H LEU 25 7.155 -7.959 2.979 204 HA LEU 25 HA LEU 25 7.133 -9.485 0.420 205 HB2 LEU 25 2HB LEU 25 7.222 -6.443 0.808 206 HB3 LEU 25 3HB LEU 25 7.217 -7.286 -0.734 207 HG LEU 25 HG LEU 25 4.917 -7.148 1.255 208 HD11 LEU 25 1HD1 LEU 25 3.734 -5.957 -0.550 209 HD12 LEU 25 2HD1 LEU 25 5.184 -6.026 -1.556 210 HD13 LEU 25 3HD1 LEU 25 5.194 -5.102 -0.054 211 HD21 LEU 25 3HD2 LEU 25 3.594 -8.435 -0.397 212 HD22 LEU 25 1HD2 LEU 25 4.922 -9.378 0.277 213 HD23 LEU 25 2HD2 LEU 25 5.056 -8.705 -1.349 214 H TYR 26 H TYR 26 9.080 -9.921 -0.475 215 HA TYR 26 HA TYR 26 11.536 -8.702 0.687 216 HB2 TYR 26 2HB TYR 26 11.040 -11.142 1.355 217 HB3 TYR 26 3HB TYR 26 11.261 -11.583 -0.331 218 HD1 TYR 26 HD2 TYR 26 13.659 -10.683 -1.350 219 HD2 TYR 26 HD1 TYR 26 12.884 -11.437 2.790 220 HE1 TYR 26 HE2 TYR 26 16.061 -10.994 -0.955 221 HE2 TYR 26 HE1 TYR 26 15.289 -11.745 3.176 222 HH TYR 26 HH TYR 26 17.665 -10.893 0.921 223 H ALA 27 H ALA 27 12.565 -7.523 -0.837 224 HA ALA 27 HA ALA 27 12.956 -8.559 -3.536 225 HB1 ALA 27 3HB ALA 27 11.708 -5.813 -3.112 226 HB2 ALA 27 1HB ALA 27 10.877 -7.227 -3.761 227 HB3 ALA 27 2HB ALA 27 12.208 -6.501 -4.661 228 H VAL 28 H VAL 28 14.461 -7.240 -4.752 229 HA VAL 28 HA VAL 28 16.579 -6.001 -3.102 230 HB VAL 28 HB VAL 28 16.621 -7.413 -5.809 231 HG11 VAL 28 1HG1 VAL 28 18.937 -5.927 -4.532 232 HG12 VAL 28 2HG1 VAL 28 18.114 -5.521 -6.044 233 HG13 VAL 28 3HG1 VAL 28 19.058 -7.005 -5.928 234 HG21 VAL 28 3HG2 VAL 28 16.629 -8.930 -3.874 235 HG22 VAL 28 1HG2 VAL 28 18.042 -8.106 -3.211 236 HG23 VAL 28 2HG2 VAL 28 18.174 -9.003 -4.724 237 H ARG 29 H ARG 29 15.104 -5.788 -6.316 238 HA ARG 29 HA ARG 29 15.779 -2.982 -6.697 239 HB2 ARG 29 2HB ARG 29 14.377 -5.015 -8.482 240 HB3 ARG 29 3HB ARG 29 14.827 -3.398 -8.985 241 HG2 ARG 29 2HG ARG 29 17.182 -3.939 -8.843 242 HG3 ARG 29 3HG ARG 29 16.831 -5.498 -8.091 243 HD2 ARG 29 2HD ARG 29 17.437 -5.750 -10.472 244 HD3 ARG 29 3HD ARG 29 15.785 -6.293 -10.170 245 HE ARG 29 HE ARG 29 15.623 -3.635 -10.983 246 HH11 ARG 29 1HH1 ARG 29 16.741 -6.651 -12.443 247 HH12 ARG 29 2HH1 ARG 29 16.359 -6.142 -14.055 248 HH21 ARG 29 1HH2 ARG 29 15.104 -3.014 -13.110 249 HH22 ARG 29 2HH2 ARG 29 15.431 -4.082 -14.435 250 H ASP 30 H ASP 30 14.102 -1.496 -7.428 251 HA ASP 30 HA ASP 30 11.967 -1.347 -5.481 252 HB2 ASP 30 2HB ASP 30 12.403 0.679 -7.717 253 HB3 ASP 30 3HB ASP 30 11.732 0.945 -6.108 254 H GLU 31 H GLU 31 12.216 -1.662 -8.961 255 HA GLU 31 HA GLU 31 9.490 -1.703 -9.637 256 HB2 GLU 31 2HB GLU 31 10.254 -2.959 -11.712 257 HB3 GLU 31 3HB GLU 31 11.003 -1.400 -11.450 258 HG2 GLU 31 2HG GLU 31 12.475 -3.807 -10.428 259 HG3 GLU 31 3HG GLU 31 12.397 -3.586 -12.171 260 H GLU 32 H GLU 32 11.620 -4.238 -8.347 261 HA GLU 32 HA GLU 32 9.831 -6.428 -8.773 262 HB2 GLU 32 2HB GLU 32 12.020 -6.135 -6.658 263 HB3 GLU 32 3HB GLU 32 11.200 -7.633 -7.078 264 HG2 GLU 32 2HG GLU 32 12.156 -7.414 -9.401 265 HG3 GLU 32 3HG GLU 32 13.081 -6.040 -8.834 266 H LEU 33 H LEU 33 9.955 -3.856 -6.428 267 HA LEU 33 HA LEU 33 8.170 -5.178 -4.539 268 HB2 LEU 33 2HB LEU 33 10.060 -3.198 -4.227 269 HB3 LEU 33 3HB LEU 33 8.615 -2.214 -4.316 270 HG LEU 33 HG LEU 33 9.219 -2.689 -1.978 271 HD11 LEU 33 1HD1 LEU 33 6.825 -2.424 -2.439 272 HD12 LEU 33 2HD1 LEU 33 7.114 -3.516 -1.087 273 HD13 LEU 33 3HD1 LEU 33 6.667 -4.169 -2.666 274 HD21 LEU 33 3HD2 LEU 33 9.135 -4.962 -1.020 275 HD22 LEU 33 1HD2 LEU 33 10.393 -4.812 -2.242 276 HD23 LEU 33 2HD2 LEU 33 8.883 -5.641 -2.629 277 H LYS 34 H LYS 34 7.948 -2.809 -7.184 278 HA LYS 34 HA LYS 34 5.448 -1.680 -6.732 279 HB2 LYS 34 2HB LYS 34 6.758 -2.325 -9.398 280 HB3 LYS 34 3HB LYS 34 5.254 -1.424 -9.261 281 HG2 LYS 34 2HG LYS 34 6.599 0.198 -7.755 282 HG3 LYS 34 3HG LYS 34 8.033 -0.586 -8.424 283 HD2 LYS 34 2HD LYS 34 7.530 1.413 -9.735 284 HD3 LYS 34 3HD LYS 34 7.210 -0.011 -10.727 285 HE2 LYS 34 2HE LYS 34 4.746 0.232 -9.985 286 HE3 LYS 34 3HE LYS 34 5.198 1.829 -9.388 287 HZ1 LYS 34 3HZ LYS 34 5.424 0.878 -12.197 288 HZ2 LYS 34 1HZ LYS 34 5.896 2.410 -11.649 289 HZ3 LYS 34 2HZ LYS 34 4.271 1.953 -11.597 290 H GLU 35 H GLU 35 6.110 -4.535 -8.779 291 HA GLU 35 HA GLU 35 3.576 -5.361 -9.426 292 HB2 GLU 35 2HB GLU 35 4.549 -7.720 -9.519 293 HB3 GLU 35 3HB GLU 35 5.423 -6.501 -10.438 294 HG2 GLU 35 2HG GLU 35 7.234 -6.466 -8.956 295 HG3 GLU 35 3HG GLU 35 6.299 -7.152 -7.632 296 H LYS 36 H LYS 36 5.359 -6.102 -6.428 297 HA LYS 36 HA LYS 36 3.574 -8.056 -5.421 298 HB2 LYS 36 2HB LYS 36 5.491 -6.289 -3.828 299 HB3 LYS 36 3HB LYS 36 4.790 -7.819 -3.297 300 HG2 LYS 36 2HG LYS 36 5.978 -8.961 -5.182 301 HG3 LYS 36 3HG LYS 36 6.747 -7.420 -5.570 302 HD2 LYS 36 2HD LYS 36 7.737 -7.411 -3.240 303 HD3 LYS 36 3HD LYS 36 7.074 -9.034 -3.010 304 HE2 LYS 36 2HE LYS 36 9.202 -8.162 -4.981 305 HE3 LYS 36 3HE LYS 36 9.366 -9.301 -3.651 306 HZ1 LYS 36 3HZ LYS 36 9.246 -10.493 -5.697 307 HZ2 LYS 36 1HZ LYS 36 7.819 -9.701 -6.152 308 HZ3 LYS 36 2HZ LYS 36 7.808 -10.777 -4.846 309 H LEU 37 H LEU 37 3.831 -4.571 -4.918 310 HA LEU 37 HA LEU 37 1.804 -4.232 -2.993 311 HB2 LEU 37 2HB LEU 37 2.766 -2.339 -5.174 312 HB3 LEU 37 3HB LEU 37 1.750 -1.860 -3.818 313 HG LEU 37 HG LEU 37 4.543 -3.030 -3.499 314 HD11 LEU 37 1HD1 LEU 37 4.687 -0.886 -4.646 315 HD12 LEU 37 2HD1 LEU 37 5.292 -0.754 -2.997 316 HD13 LEU 37 3HD1 LEU 37 3.693 -0.130 -3.402 317 HD21 LEU 37 3HD2 LEU 37 4.357 -2.224 -1.176 318 HD22 LEU 37 1HD2 LEU 37 3.097 -3.400 -1.545 319 HD23 LEU 37 2HD2 LEU 37 2.708 -1.679 -1.485 320 H LYS 38 H LYS 38 1.652 -3.950 -6.573 321 HA LYS 38 HA LYS 38 -1.097 -3.538 -6.868 322 HB2 LYS 38 2HB LYS 38 0.849 -4.947 -8.758 323 HB3 LYS 38 3HB LYS 38 -0.715 -4.278 -9.223 324 HG2 LYS 38 2HG LYS 38 0.030 -2.025 -8.768 325 HG3 LYS 38 3HG LYS 38 1.516 -2.618 -8.033 326 HD2 LYS 38 2HD LYS 38 2.177 -1.833 -10.155 327 HD3 LYS 38 3HD LYS 38 2.108 -3.585 -10.336 328 HE2 LYS 38 2HE LYS 38 -0.114 -1.699 -11.190 329 HE3 LYS 38 3HE LYS 38 1.155 -2.281 -12.262 330 HZ1 LYS 38 3HZ LYS 38 -0.847 -3.972 -10.870 331 HZ2 LYS 38 1HZ LYS 38 0.392 -4.548 -11.864 332 HZ3 LYS 38 2HZ LYS 38 -0.836 -3.584 -12.512 333 H LYS 39 H LYS 39 0.741 -6.554 -6.532 334 HA LYS 39 HA LYS 39 -1.360 -8.383 -7.039 335 HB2 LYS 39 2HB LYS 39 1.095 -8.781 -5.275 336 HB3 LYS 39 3HB LYS 39 0.017 -10.069 -5.797 337 HG2 LYS 39 2HG LYS 39 1.828 -8.390 -7.538 338 HG3 LYS 39 3HG LYS 39 2.040 -10.084 -7.133 339 HD2 LYS 39 2HD LYS 39 -0.243 -8.957 -8.805 340 HD3 LYS 39 3HD LYS 39 1.207 -9.730 -9.444 341 HE2 LYS 39 2HE LYS 39 0.603 -11.829 -8.323 342 HE3 LYS 39 3HE LYS 39 -0.850 -11.073 -7.663 343 HZ1 LYS 39 3HZ LYS 39 -1.615 -10.705 -9.935 344 HZ2 LYS 39 1HZ LYS 39 -1.360 -12.345 -9.630 345 HZ3 LYS 39 2HZ LYS 39 -0.238 -11.472 -10.541 346 H VAL 40 H VAL 40 0.006 -7.322 -3.921 347 HA VAL 40 HA VAL 40 -1.742 -8.700 -2.205 348 HB VAL 40 HB VAL 40 0.007 -6.230 -1.779 349 HG11 VAL 40 1HG1 VAL 40 -1.502 -7.755 0.377 350 HG12 VAL 40 2HG1 VAL 40 -1.782 -6.081 -0.107 351 HG13 VAL 40 3HG1 VAL 40 -0.263 -6.531 0.667 352 HG21 VAL 40 3HG2 VAL 40 0.360 -9.131 -0.924 353 HG22 VAL 40 1HG2 VAL 40 1.482 -7.813 -0.558 354 HG23 VAL 40 2HG2 VAL 40 1.226 -8.318 -2.228 355 H LEU 41 H LEU 41 -1.910 -5.411 -3.517 356 HA LEU 41 HA LEU 41 -4.236 -4.554 -2.168 357 HB2 LEU 41 2HB LEU 41 -2.935 -3.654 -4.759 358 HB3 LEU 41 3HB LEU 41 -4.400 -2.895 -4.153 359 HG LEU 41 HG LEU 41 -1.837 -3.041 -2.509 360 HD11 LEU 41 1HD1 LEU 41 -2.759 -0.747 -4.258 361 HD12 LEU 41 2HD1 LEU 41 -1.357 -1.784 -4.545 362 HD13 LEU 41 3HD1 LEU 41 -1.391 -0.720 -3.141 363 HD21 LEU 41 3HD2 LEU 41 -3.888 -2.691 -1.188 364 HD22 LEU 41 1HD2 LEU 41 -4.320 -1.303 -2.197 365 HD23 LEU 41 2HD2 LEU 41 -2.879 -1.248 -1.176 366 H ASN 42 H ASN 42 -3.912 -5.844 -5.554 367 HA ASN 42 HA ASN 42 -6.689 -5.964 -6.077 368 HB2 ASN 42 2HB ASN 42 -4.347 -7.445 -7.328 369 HB3 ASN 42 3HB ASN 42 -5.998 -7.685 -7.886 370 HD21 ASN 42 1HD2 ASN 42 -4.622 -4.555 -6.834 371 HD22 ASN 42 2HD2 ASN 42 -4.731 -3.826 -8.387 372 H GLU 43 H GLU 43 -4.647 -8.206 -4.332 373 HA GLU 43 HA GLU 43 -6.468 -10.400 -4.299 374 HB2 GLU 43 2HB GLU 43 -4.170 -9.693 -2.440 375 HB3 GLU 43 3HB GLU 43 -5.107 -11.173 -2.290 376 HG2 GLU 43 2HG GLU 43 -3.374 -10.375 -4.639 377 HG3 GLU 43 3HG GLU 43 -3.005 -11.603 -3.434 378 H ARG 44 H ARG 44 -5.741 -7.799 -1.994 379 HA ARG 44 HA ARG 44 -7.625 -8.716 -0.044 380 HB2 ARG 44 2HB ARG 44 -5.433 -7.521 0.464 381 HB3 ARG 44 3HB ARG 44 -6.180 -6.033 -0.113 382 HG2 ARG 44 2HG ARG 44 -6.261 -6.150 2.335 383 HG3 ARG 44 3HG ARG 44 -7.894 -6.194 1.661 384 HD2 ARG 44 2HD ARG 44 -7.806 -8.724 1.881 385 HD3 ARG 44 3HD ARG 44 -6.292 -8.533 2.766 386 HE ARG 44 HE ARG 44 -8.939 -7.549 3.640 387 HH11 ARG 44 1HH1 ARG 44 -5.684 -8.586 4.481 388 HH12 ARG 44 2HH1 ARG 44 -6.003 -8.562 6.188 389 HH21 ARG 44 1HH2 ARG 44 -9.361 -7.644 5.838 390 HH22 ARG 44 2HH2 ARG 44 -8.084 -8.030 6.949 391 H MET 45 H MET 45 -7.742 -6.366 -2.645 392 HA MET 45 HA MET 45 -9.957 -4.856 -1.542 393 HB2 MET 45 2HB MET 45 -8.582 -4.666 -4.257 394 HB3 MET 45 3HB MET 45 -9.852 -3.577 -3.711 395 HG2 MET 45 2HG MET 45 -7.114 -3.884 -2.449 396 HG3 MET 45 3HG MET 45 -7.649 -2.551 -3.467 397 HE1 MET 45 3HE MET 45 -10.294 -0.801 -1.162 398 HE2 MET 45 1HE MET 45 -10.604 -2.011 -2.406 399 HE3 MET 45 2HE MET 45 -9.432 -0.725 -2.699 400 H ASP 46 H ASP 46 -9.716 -7.755 -3.327 401 HA ASP 46 HA ASP 46 -12.021 -7.437 -4.970 402 HB2 ASP 46 2HB ASP 46 -10.109 -9.047 -5.452 403 HB3 ASP 46 3HB ASP 46 -10.791 -10.119 -4.234 404 HA PRO 47 HA PRO 47 -14.476 -9.921 -1.464 405 HB2 PRO 47 2HB PRO 47 -13.373 -9.724 1.097 406 HB3 PRO 47 3HB PRO 47 -13.156 -11.116 0.018 407 HG2 PRO 47 2HG PRO 47 -11.308 -8.787 0.455 408 HG3 PRO 47 3HG PRO 47 -10.932 -10.526 0.396 409 HD2 PRO 47 2HD PRO 47 -10.473 -8.989 -1.735 410 HD3 PRO 47 3HD PRO 47 -11.138 -10.627 -1.947 411 H ILE 48 H ILE 48 -12.716 -6.934 -0.964 412 HA ILE 48 HA ILE 48 -14.408 -5.652 0.910 413 HB ILE 48 HB ILE 48 -12.574 -4.438 -1.196 414 HG12 ILE 48 2HG1 ILE 48 -11.380 -5.998 0.297 415 HG13 ILE 48 3HG1 ILE 48 -10.859 -4.346 0.572 416 HG21 ILE 48 1HG2 ILE 48 -12.462 -2.446 0.239 417 HG22 ILE 48 2HG2 ILE 48 -13.660 -3.152 1.324 418 HG23 ILE 48 3HG2 ILE 48 -14.105 -2.741 -0.332 419 HD11 ILE 48 3HD1 ILE 48 -11.023 -5.571 2.645 420 HD12 ILE 48 1HD1 ILE 48 -12.717 -5.944 2.339 421 HD13 ILE 48 2HD1 ILE 48 -12.216 -4.275 2.626 422 H LYS 49 H LYS 49 -14.469 -5.720 -2.657 423 HA LYS 49 HA LYS 49 -16.560 -3.864 -3.108 424 HB2 LYS 49 2HB LYS 49 -15.809 -6.323 -4.733 425 HB3 LYS 49 3HB LYS 49 -16.853 -5.024 -5.300 426 HG2 LYS 49 2HG LYS 49 -15.030 -3.456 -5.328 427 HG3 LYS 49 3HG LYS 49 -13.954 -4.589 -4.506 428 HD2 LYS 49 2HD LYS 49 -15.129 -4.993 -7.295 429 HD3 LYS 49 3HD LYS 49 -13.488 -4.441 -6.955 430 HE2 LYS 49 2HE LYS 49 -12.972 -6.564 -5.850 431 HE3 LYS 49 3HE LYS 49 -14.625 -7.122 -6.083 432 HZ1 LYS 49 3HZ LYS 49 -13.031 -8.053 -7.686 433 HZ2 LYS 49 1HZ LYS 49 -12.734 -6.502 -8.286 434 HZ3 LYS 49 2HZ LYS 49 -14.272 -7.183 -8.433 435 H LYS 50 H LYS 50 -16.562 -7.300 -2.266 436 HA LYS 50 HA LYS 50 -19.388 -7.735 -2.496 437 HB2 LYS 50 2HB LYS 50 -17.735 -9.587 -2.665 438 HB3 LYS 50 3HB LYS 50 -17.299 -9.349 -0.974 439 HG2 LYS 50 2HG LYS 50 -19.635 -9.931 -0.318 440 HG3 LYS 50 3HG LYS 50 -20.019 -10.231 -2.013 441 HD2 LYS 50 2HD LYS 50 -17.986 -11.748 -0.341 442 HD3 LYS 50 3HD LYS 50 -19.582 -12.328 -0.808 443 HE2 LYS 50 2HE LYS 50 -18.883 -12.199 -3.203 444 HE3 LYS 50 3HE LYS 50 -17.263 -11.732 -2.672 445 HZ1 LYS 50 3HZ LYS 50 -18.639 -14.269 -1.992 446 HZ2 LYS 50 1HZ LYS 50 -17.079 -13.835 -1.513 447 HZ3 LYS 50 2HZ LYS 50 -17.425 -14.090 -3.147 448 H LEU 51 H LEU 51 -17.231 -6.678 0.131 449 HA LEU 51 HA LEU 51 -19.143 -6.806 2.237 450 HB2 LEU 51 2HB LEU 51 -16.777 -4.905 1.947 451 HB3 LEU 51 3HB LEU 51 -17.660 -5.215 3.435 452 HG LEU 51 HG LEU 51 -15.904 -7.206 1.944 453 HD11 LEU 51 1HD1 LEU 51 -14.620 -5.498 3.136 454 HD12 LEU 51 2HD1 LEU 51 -14.432 -7.076 3.892 455 HD13 LEU 51 3HD1 LEU 51 -15.485 -5.865 4.632 456 HD21 LEU 51 3HD2 LEU 51 -17.473 -7.618 4.507 457 HD22 LEU 51 1HD2 LEU 51 -16.299 -8.748 3.824 458 HD23 LEU 51 2HD2 LEU 51 -17.787 -8.390 2.952 459 H GLY 52 H GLY 52 -18.503 -4.528 -0.342 460 HA2 GLY 52 2HA GLY 52 -20.151 -3.333 -1.452 461 HA3 GLY 52 3HA GLY 52 -21.257 -3.591 -0.111 462 H CYS 53 H CYS 53 -18.012 -2.175 -0.212 463 HA CYS 53 HA CYS 53 -19.092 0.443 0.685 464 HB2 CYS 53 2HB CYS 53 -16.822 0.768 1.724 465 HB3 CYS 53 3HB CYS 53 -17.719 -0.579 2.428 466 H LYS 54 H LYS 54 -19.224 1.656 -1.133 467 HA LYS 54 HA LYS 54 -17.323 1.433 -3.297 468 HB2 LYS 54 2HB LYS 54 -19.814 2.081 -3.567 469 HB3 LYS 54 3HB LYS 54 -19.358 3.680 -2.982 470 HG2 LYS 54 2HG LYS 54 -17.687 3.827 -4.867 471 HG3 LYS 54 3HG LYS 54 -18.309 2.295 -5.482 472 HD2 LYS 54 2HD LYS 54 -20.562 3.362 -5.755 473 HD3 LYS 54 3HD LYS 54 -19.871 4.892 -5.201 474 HE2 LYS 54 2HE LYS 54 -18.237 4.755 -7.129 475 HE3 LYS 54 3HE LYS 54 -19.141 3.359 -7.718 476 HZ1 LYS 54 3HZ LYS 54 -19.868 5.332 -8.844 477 HZ2 LYS 54 1HZ LYS 54 -20.175 6.122 -7.379 478 HZ3 LYS 54 2HZ LYS 54 -21.118 4.800 -7.839 479 H ARG 55 H ARG 55 -17.413 3.159 -0.331 480 HA ARG 55 HA ARG 55 -15.028 4.724 -1.185 481 HB2 ARG 55 2HB ARG 55 -16.877 6.174 -0.347 482 HB3 ARG 55 3HB ARG 55 -16.915 5.270 1.166 483 HG2 ARG 55 2HG ARG 55 -14.552 6.000 1.619 484 HG3 ARG 55 3HG ARG 55 -14.598 6.962 0.144 485 HD2 ARG 55 2HD ARG 55 -16.407 8.343 1.087 486 HD3 ARG 55 3HD ARG 55 -16.408 7.362 2.555 487 HE ARG 55 HE ARG 55 -14.021 8.891 1.704 488 HH11 ARG 55 1HH1 ARG 55 -16.381 8.127 4.187 489 HH12 ARG 55 2HH1 ARG 55 -15.578 9.060 5.408 490 HH21 ARG 55 1HH2 ARG 55 -13.000 10.146 3.294 491 HH22 ARG 55 2HH2 ARG 55 -13.660 10.203 4.901 492 H VAL 56 H VAL 56 -13.160 4.073 -0.335 493 HA VAL 56 HA VAL 56 -13.077 2.496 2.172 494 HB VAL 56 HB VAL 56 -11.228 1.116 1.187 495 HG11 VAL 56 1HG1 VAL 56 -12.627 -0.353 -0.217 496 HG12 VAL 56 2HG1 VAL 56 -13.836 0.927 -0.370 497 HG13 VAL 56 3HG1 VAL 56 -13.508 0.203 1.207 498 HG21 VAL 56 3HG2 VAL 56 -10.443 2.646 -0.582 499 HG22 VAL 56 1HG2 VAL 56 -11.957 2.434 -1.466 500 HG23 VAL 56 2HG2 VAL 56 -10.850 1.074 -1.267 501 H ARG 57 H ARG 57 -11.422 3.067 3.558 502 HA ARG 57 HA ARG 57 -9.396 5.039 2.636 503 HB2 ARG 57 2HB ARG 57 -10.861 6.065 4.291 504 HB3 ARG 57 3HB ARG 57 -10.644 4.713 5.398 505 HG2 ARG 57 2HG ARG 57 -8.312 5.311 5.765 506 HG3 ARG 57 3HG ARG 57 -8.395 6.569 4.532 507 HD2 ARG 57 2HD ARG 57 -10.066 6.590 7.065 508 HD3 ARG 57 3HD ARG 57 -8.496 7.383 6.925 509 HE ARG 57 HE ARG 57 -9.792 8.465 4.863 510 HH11 ARG 57 1HH1 ARG 57 -10.821 8.109 8.212 511 HH12 ARG 57 2HH1 ARG 57 -11.821 9.527 8.175 512 HH21 ARG 57 1HH2 ARG 57 -11.073 10.284 4.803 513 HH22 ARG 57 2HH2 ARG 57 -11.966 10.781 6.215 514 H ILE 58 H ILE 58 -7.581 4.009 2.297 515 HA ILE 58 HA ILE 58 -6.745 1.685 3.906 516 HB ILE 58 HB ILE 58 -5.668 2.567 1.180 517 HG12 ILE 58 2HG1 ILE 58 -7.743 0.398 1.746 518 HG13 ILE 58 3HG1 ILE 58 -8.092 1.956 1.009 519 HG21 ILE 58 1HG2 ILE 58 -4.103 1.168 2.475 520 HG22 ILE 58 2HG2 ILE 58 -4.711 0.283 1.078 521 HG23 ILE 58 3HG2 ILE 58 -5.352 -0.062 2.684 522 HD11 ILE 58 3HD1 ILE 58 -6.369 -0.224 -0.158 523 HD12 ILE 58 1HD1 ILE 58 -6.667 1.353 -0.897 524 HD13 ILE 58 2HD1 ILE 58 -8.000 0.225 -0.652 525 H SER 59 H SER 59 -5.469 2.484 5.596 526 HA SER 59 HA SER 59 -3.398 4.498 5.103 527 HB2 SER 59 2HB SER 59 -4.320 3.223 7.720 528 HB3 SER 59 3HB SER 59 -3.192 4.571 7.560 529 HG SER 59 HG SER 59 -4.853 5.825 6.724 530 H ILE 60 H ILE 60 -1.648 3.510 4.168 531 HA ILE 60 HA ILE 60 -0.772 0.854 5.107 532 HB ILE 60 HB ILE 60 0.061 2.493 2.679 533 HG12 ILE 60 2HG1 ILE 60 -1.492 -0.117 2.974 534 HG13 ILE 60 3HG1 ILE 60 -2.144 1.431 2.450 535 HG21 ILE 60 1HG2 ILE 60 1.484 0.585 1.996 536 HG22 ILE 60 2HG2 ILE 60 1.139 -0.215 3.530 537 HG23 ILE 60 3HG2 ILE 60 2.043 1.300 3.510 538 HD11 ILE 60 3HD1 ILE 60 -1.893 -0.033 0.581 539 HD12 ILE 60 1HD1 ILE 60 -0.192 -0.306 0.950 540 HD13 ILE 60 2HD1 ILE 60 -0.738 1.290 0.423 541 H ARG 61 H ARG 61 0.856 0.648 6.491 542 HA ARG 61 HA ARG 61 2.745 2.878 6.998 543 HB2 ARG 61 2HB ARG 61 1.897 0.628 8.897 544 HB3 ARG 61 3HB ARG 61 3.060 1.894 9.262 545 HG2 ARG 61 2HG ARG 61 1.110 2.565 10.372 546 HG3 ARG 61 3HG ARG 61 1.122 3.560 8.916 547 HD2 ARG 61 2HD ARG 61 -1.137 2.694 9.419 548 HD3 ARG 61 3HD ARG 61 -0.545 2.069 7.879 549 HE ARG 61 HE ARG 61 -0.487 -0.061 8.765 550 HH11 ARG 61 1HH1 ARG 61 -1.138 2.189 11.391 551 HH12 ARG 61 2HH1 ARG 61 -1.554 0.937 12.523 552 HH21 ARG 61 1HH2 ARG 61 -1.035 -1.700 10.266 553 HH22 ARG 61 2HH2 ARG 61 -1.499 -1.267 11.884 554 H VAL 62 H VAL 62 4.788 2.424 6.340 555 HA VAL 62 HA VAL 62 5.386 -0.313 5.426 556 HB VAL 62 HB VAL 62 5.653 1.641 3.851 557 HG11 VAL 62 1HG1 VAL 62 6.518 3.351 5.395 558 HG12 VAL 62 2HG1 VAL 62 7.596 3.128 4.013 559 HG13 VAL 62 3HG1 VAL 62 8.013 2.422 5.579 560 HG21 VAL 62 3HG2 VAL 62 8.209 0.116 4.406 561 HG22 VAL 62 1HG2 VAL 62 7.792 0.927 2.891 562 HG23 VAL 62 2HG2 VAL 62 6.843 -0.454 3.444 563 H LYS 63 H LYS 63 6.953 -1.585 6.402 564 HA LYS 63 HA LYS 63 8.146 -0.548 8.889 565 HB2 LYS 63 2HB LYS 63 7.685 -3.391 7.916 566 HB3 LYS 63 3HB LYS 63 8.581 -3.000 9.381 567 HG2 LYS 63 2HG LYS 63 6.548 -1.893 10.300 568 HG3 LYS 63 3HG LYS 63 5.666 -2.349 8.843 569 HD2 LYS 63 2HD LYS 63 5.166 -3.867 10.727 570 HD3 LYS 63 3HD LYS 63 5.923 -4.721 9.386 571 HE2 LYS 63 2HE LYS 63 8.098 -4.651 10.610 572 HE3 LYS 63 3HE LYS 63 7.290 -3.851 11.961 573 HZ1 LYS 63 3HZ LYS 63 7.498 -6.213 12.360 574 HZ2 LYS 63 1HZ LYS 63 6.667 -6.574 10.928 575 HZ3 LYS 63 2HZ LYS 63 5.868 -5.805 12.206 576 H HIS 64 H HIS 64 10.348 -0.582 9.183 577 HA HIS 64 HA HIS 64 11.727 -0.252 6.601 578 HB2 HIS 64 2HB HIS 64 12.060 1.148 9.274 579 HB3 HIS 64 3HB HIS 64 13.156 1.402 7.916 580 HD1 HIS 64 HD1 HIS 64 11.864 2.149 5.627 581 HD2 HIS 64 HD2 HIS 64 9.938 2.906 9.222 582 HE1 HIS 64 HE1 HIS 64 10.255 4.018 5.141 583 HE2 HIS 64 HE2 HIS 64 9.333 4.616 7.394 584 H SER 65 H SER 65 13.880 -0.553 6.371 585 HA SER 65 HA SER 65 15.024 -2.938 7.387 586 HB2 SER 65 2HB SER 65 15.401 -2.073 5.084 587 HB3 SER 65 3HB SER 65 16.262 -0.681 5.742 588 HG SER 65 HG SER 65 17.934 -1.935 5.498 589 H ASP 66 H ASP 66 15.817 0.546 7.844 590 HA ASP 66 HA ASP 66 16.904 0.092 10.487 591 HB2 ASP 66 2HB ASP 66 18.811 -0.594 8.951 592 HB3 ASP 66 3HB ASP 66 18.839 1.043 8.315 593 H ALA 67 H ALA 67 17.606 2.119 11.530 594 HA ALA 67 HA ALA 67 15.863 4.298 11.152 595 HB1 ALA 67 3HB ALA 67 17.207 5.438 12.874 596 HB2 ALA 67 1HB ALA 67 18.490 4.234 12.689 597 HB3 ALA 67 2HB ALA 67 16.914 3.757 13.321 598 H ALA 68 H ALA 68 19.187 3.788 10.094 599 HA ALA 68 HA ALA 68 19.666 6.390 9.053 600 HB1 ALA 68 3HB ALA 68 21.593 5.344 7.930 601 HB2 ALA 68 1HB ALA 68 20.966 3.742 8.347 602 HB3 ALA 68 2HB ALA 68 21.482 4.850 9.619 603 H GLU 69 H GLU 69 18.336 3.431 7.699 604 HA GLU 69 HA GLU 69 18.406 4.338 4.951 605 HB2 GLU 69 2HB GLU 69 17.322 1.800 6.237 606 HB3 GLU 69 3HB GLU 69 17.347 2.088 4.500 607 HG2 GLU 69 2HG GLU 69 19.809 2.220 4.547 608 HG3 GLU 69 3HG GLU 69 19.798 1.962 6.288 609 H GLU 70 H GLU 70 16.082 4.434 7.557 610 HA GLU 70 HA GLU 70 13.721 3.896 6.099 611 HB2 GLU 70 2HB GLU 70 12.485 4.620 8.038 612 HB3 GLU 70 3HB GLU 70 13.880 3.686 8.554 613 HG2 GLU 70 2HG GLU 70 15.027 5.691 9.275 614 HG3 GLU 70 3HG GLU 70 13.757 6.713 8.604 615 H LYS 71 H LYS 71 15.335 6.946 6.769 616 HA LYS 71 HA LYS 71 13.314 8.697 5.822 617 HB2 LYS 71 2HB LYS 71 15.143 10.416 5.807 618 HB3 LYS 71 3HB LYS 71 14.967 9.549 7.326 619 HG2 LYS 71 2HG LYS 71 16.902 8.083 6.658 620 HG3 LYS 71 3HG LYS 71 17.131 9.117 5.241 621 HD2 LYS 71 2HD LYS 71 17.480 11.078 6.750 622 HD3 LYS 71 3HD LYS 71 17.280 10.021 8.150 623 HE2 LYS 71 2HE LYS 71 19.654 10.458 7.716 624 HE3 LYS 71 3HE LYS 71 19.288 8.748 7.483 625 HZ1 LYS 71 3HZ LYS 71 19.263 9.104 5.121 626 HZ2 LYS 71 1HZ LYS 71 20.725 9.648 5.756 627 HZ3 LYS 71 2HZ LYS 71 19.536 10.757 5.312 628 H LYS 72 H LYS 72 15.662 6.784 4.121 629 HA LYS 72 HA LYS 72 15.163 8.083 1.555 630 HB2 LYS 72 2HB LYS 72 17.362 7.040 2.049 631 HB3 LYS 72 3HB LYS 72 16.588 5.468 2.208 632 HG2 LYS 72 2HG LYS 72 15.979 5.475 -0.155 633 HG3 LYS 72 3HG LYS 72 16.601 7.117 -0.347 634 HD2 LYS 72 2HD LYS 72 18.251 4.660 0.361 635 HD3 LYS 72 3HD LYS 72 18.192 5.442 -1.217 636 HE2 LYS 72 2HE LYS 72 19.234 7.450 -0.322 637 HE3 LYS 72 3HE LYS 72 19.168 6.806 1.319 638 HZ1 LYS 72 3HZ LYS 72 20.715 5.081 0.684 639 HZ2 LYS 72 1HZ LYS 72 21.369 6.597 0.324 640 HZ3 LYS 72 2HZ LYS 72 20.743 5.632 -0.911 641 H GLU 73 H GLU 73 14.379 5.010 3.171 642 HA GLU 73 HA GLU 73 13.106 3.622 1.145 643 HB2 GLU 73 2HB GLU 73 12.556 3.523 4.139 644 HB3 GLU 73 3HB GLU 73 11.940 2.340 2.991 645 HG2 GLU 73 2HG GLU 73 14.222 1.616 2.468 646 HG3 GLU 73 3HG GLU 73 14.879 2.851 3.544 647 H ALA 74 H ALA 74 11.621 5.765 3.562 648 HA ALA 74 HA ALA 74 8.919 5.351 2.916 649 HB1 ALA 74 3HB ALA 74 8.530 7.380 4.240 650 HB2 ALA 74 1HB ALA 74 10.251 7.789 4.144 651 HB3 ALA 74 2HB ALA 74 9.728 6.348 5.017 652 H LYS 75 H LYS 75 11.138 7.934 1.902 653 HA LYS 75 HA LYS 75 9.214 9.402 0.390 654 HB2 LYS 75 2HB LYS 75 12.245 9.559 0.567 655 HB3 LYS 75 3HB LYS 75 11.333 10.595 -0.526 656 HG2 LYS 75 2HG LYS 75 11.811 11.835 1.485 657 HG3 LYS 75 3HG LYS 75 10.078 11.510 1.438 658 HD2 LYS 75 2HD LYS 75 10.511 9.555 3.009 659 HD3 LYS 75 3HD LYS 75 12.174 10.120 3.140 660 HE2 LYS 75 2HE LYS 75 10.993 10.954 5.039 661 HE3 LYS 75 3HE LYS 75 11.264 12.328 3.968 662 HZ1 LYS 75 3HZ LYS 75 9.021 12.297 4.853 663 HZ2 LYS 75 1HZ LYS 75 8.739 10.776 4.179 664 HZ3 LYS 75 2HZ LYS 75 8.996 12.112 3.175 665 H LYS 76 H LYS 76 11.638 6.973 -0.478 666 HA LYS 76 HA LYS 76 11.246 6.934 -3.280 667 HB2 LYS 76 2HB LYS 76 13.128 5.756 -2.200 668 HB3 LYS 76 3HB LYS 76 12.008 4.689 -1.358 669 HG2 LYS 76 2HG LYS 76 11.236 3.937 -3.721 670 HG3 LYS 76 3HG LYS 76 12.693 4.738 -4.311 671 HD2 LYS 76 2HD LYS 76 12.611 2.486 -2.272 672 HD3 LYS 76 3HD LYS 76 13.027 2.312 -3.974 673 HE2 LYS 76 2HE LYS 76 15.014 3.729 -3.643 674 HE3 LYS 76 3HE LYS 76 14.595 3.932 -1.937 675 HZ1 LYS 76 3HZ LYS 76 16.264 2.200 -2.292 676 HZ2 LYS 76 1HZ LYS 76 15.181 1.332 -3.257 677 HZ3 LYS 76 2HZ LYS 76 14.853 1.564 -1.612 678 H PHE 77 H PHE 77 9.654 5.214 -0.602 679 HA PHE 77 HA PHE 77 8.049 3.463 -2.206 680 HB2 PHE 77 2HB PHE 77 8.935 3.123 0.218 681 HB3 PHE 77 3HB PHE 77 7.602 4.139 0.738 682 HD1 PHE 77 HD1 PHE 77 8.266 1.043 -1.311 683 HD2 PHE 77 HD2 PHE 77 5.594 3.050 1.355 684 HE1 PHE 77 HE1 PHE 77 6.859 -0.968 -1.181 685 HE2 PHE 77 HE2 PHE 77 4.198 1.035 1.473 686 HZ PHE 77 HZ PHE 77 4.829 -0.978 0.211 687 H ALA 78 H ALA 78 7.743 6.665 -0.976 688 HA ALA 78 HA ALA 78 4.969 7.091 -1.162 689 HB1 ALA 78 3HB ALA 78 5.557 9.481 -1.264 690 HB2 ALA 78 1HB ALA 78 7.247 9.058 -1.566 691 HB3 ALA 78 2HB ALA 78 6.494 8.647 -0.024 692 H ALA 79 H ALA 79 7.606 7.616 -3.506 693 HA ALA 79 HA ALA 79 5.987 8.386 -5.706 694 HB1 ALA 79 3HB ALA 79 8.029 8.039 -7.040 695 HB2 ALA 79 1HB ALA 79 8.784 7.197 -5.679 696 HB3 ALA 79 2HB ALA 79 8.388 8.910 -5.549 697 H ILE 80 H ILE 80 7.329 5.267 -4.654 698 HA ILE 80 HA ILE 80 6.627 3.649 -6.828 699 HB ILE 80 HB ILE 80 6.957 2.926 -3.883 700 HG12 ILE 80 2HG1 ILE 80 9.025 3.808 -4.876 701 HG13 ILE 80 3HG1 ILE 80 9.207 2.093 -4.567 702 HG21 ILE 80 1HG2 ILE 80 7.229 0.579 -4.557 703 HG22 ILE 80 2HG2 ILE 80 6.850 1.007 -6.221 704 HG23 ILE 80 3HG2 ILE 80 5.620 1.177 -4.973 705 HD11 ILE 80 3HD1 ILE 80 10.227 2.714 -6.669 706 HD12 ILE 80 1HD1 ILE 80 8.704 3.368 -7.264 707 HD13 ILE 80 2HD1 ILE 80 8.867 1.634 -6.968 708 H LEU 81 H LEU 81 4.813 4.254 -3.777 709 HA LEU 81 HA LEU 81 2.528 2.712 -4.495 710 HB2 LEU 81 2HB LEU 81 3.045 4.776 -2.335 711 HB3 LEU 81 3HB LEU 81 1.415 4.179 -2.602 712 HG LEU 81 HG LEU 81 3.816 2.490 -1.774 713 HD11 LEU 81 1HD1 LEU 81 2.594 2.185 0.329 714 HD12 LEU 81 2HD1 LEU 81 1.302 3.244 -0.243 715 HD13 LEU 81 3HD1 LEU 81 2.920 3.892 0.034 716 HD21 LEU 81 3HD2 LEU 81 2.221 0.609 -1.590 717 HD22 LEU 81 1HD2 LEU 81 2.352 1.181 -3.252 718 HD23 LEU 81 2HD2 LEU 81 0.945 1.613 -2.280 719 H ASN 82 H ASN 82 3.358 6.125 -4.907 720 HA ASN 82 HA ASN 82 0.824 7.173 -5.607 721 HB2 ASN 82 2HB ASN 82 2.711 8.643 -5.046 722 HB3 ASN 82 3HB ASN 82 3.627 8.075 -6.439 723 HD21 ASN 82 1HD2 ASN 82 3.066 8.825 -8.499 724 HD22 ASN 82 2HD2 ASN 82 2.031 10.186 -8.740 725 H LYS 83 H LYS 83 3.347 5.604 -7.507 726 HA LYS 83 HA LYS 83 2.058 5.811 -10.047 727 HB2 LYS 83 2HB LYS 83 4.222 3.892 -9.089 728 HB3 LYS 83 3HB LYS 83 3.716 4.069 -10.765 729 HG2 LYS 83 2HG LYS 83 5.036 6.198 -9.058 730 HG3 LYS 83 3HG LYS 83 5.794 5.287 -10.366 731 HD2 LYS 83 2HD LYS 83 4.298 6.345 -12.008 732 HD3 LYS 83 3HD LYS 83 3.434 7.180 -10.715 733 HE2 LYS 83 2HE LYS 83 4.977 8.709 -11.834 734 HE3 LYS 83 3HE LYS 83 5.480 8.452 -10.165 735 HZ1 LYS 83 3HZ LYS 83 7.157 6.908 -10.944 736 HZ2 LYS 83 1HZ LYS 83 7.341 8.413 -11.696 737 HZ3 LYS 83 2HZ LYS 83 6.658 7.123 -12.546 738 H VAL 84 H VAL 84 2.202 3.244 -7.566 739 HA VAL 84 HA VAL 84 1.013 1.151 -9.040 740 HB VAL 84 HB VAL 84 1.384 1.649 -6.055 741 HG11 VAL 84 1HG1 VAL 84 -0.660 0.327 -6.154 742 HG12 VAL 84 2HG1 VAL 84 0.666 -0.697 -5.602 743 HG13 VAL 84 3HG1 VAL 84 0.091 -0.819 -7.265 744 HG21 VAL 84 3HG2 VAL 84 2.632 -0.382 -7.948 745 HG22 VAL 84 1HG2 VAL 84 3.016 -0.207 -6.233 746 HG23 VAL 84 2HG2 VAL 84 3.399 1.094 -7.362 747 H PHE 85 H PHE 85 -0.417 3.236 -6.544 748 HA PHE 85 HA PHE 85 -3.088 2.390 -6.754 749 HB2 PHE 85 2HB PHE 85 -1.934 5.030 -5.785 750 HB3 PHE 85 3HB PHE 85 -3.648 4.642 -5.674 751 HD1 PHE 85 HD1 PHE 85 -4.111 2.189 -4.593 752 HD2 PHE 85 HD2 PHE 85 -0.684 4.626 -3.830 753 HE1 PHE 85 HE1 PHE 85 -3.783 1.060 -2.434 754 HE2 PHE 85 HE2 PHE 85 -0.362 3.486 -1.681 755 HZ PHE 85 HZ PHE 85 -1.915 1.715 -0.981 756 H ALA 86 H ALA 86 -1.357 4.886 -8.572 757 HA ALA 86 HA ALA 86 -3.648 5.966 -9.915 758 HB1 ALA 86 3HB ALA 86 -2.030 7.137 -11.335 759 HB2 ALA 86 1HB ALA 86 -0.722 6.144 -10.680 760 HB3 ALA 86 2HB ALA 86 -1.588 7.266 -9.632 761 H GLU 87 H GLU 87 -1.605 3.217 -10.471 762 HA GLU 87 HA GLU 87 -2.522 2.703 -13.195 763 HB2 GLU 87 2HB GLU 87 -0.800 1.075 -11.263 764 HB3 GLU 87 3HB GLU 87 -1.191 0.558 -12.902 765 HG2 GLU 87 2HG GLU 87 0.009 2.462 -13.843 766 HG3 GLU 87 3HG GLU 87 0.311 3.106 -12.229 767 H LEU 88 H LEU 88 -3.905 2.347 -10.164 768 HA LEU 88 HA LEU 88 -5.404 -0.115 -10.879 769 HB2 LEU 88 2HB LEU 88 -5.147 1.248 -8.161 770 HB3 LEU 88 3HB LEU 88 -6.028 -0.236 -8.487 771 HG LEU 88 HG LEU 88 -3.018 0.146 -8.595 772 HD11 LEU 88 1HD1 LEU 88 -3.905 -0.059 -6.338 773 HD12 LEU 88 2HD1 LEU 88 -2.971 -1.488 -6.767 774 HD13 LEU 88 3HD1 LEU 88 -4.736 -1.556 -6.771 775 HD21 LEU 88 3HD2 LEU 88 -3.593 -1.345 -10.425 776 HD22 LEU 88 1HD2 LEU 88 -4.599 -2.330 -9.359 777 HD23 LEU 88 2HD2 LEU 88 -2.850 -2.275 -9.126 778 H GLY 89 H GLY 89 -5.735 3.314 -10.107 779 HA2 GLY 89 2HA GLY 89 -7.753 4.127 -11.528 780 HA3 GLY 89 3HA GLY 89 -8.681 3.189 -10.368 781 H TYR 90 H TYR 90 -6.346 4.267 -8.400 782 HA TYR 90 HA TYR 90 -7.883 6.473 -7.351 783 HB2 TYR 90 2HB TYR 90 -5.109 5.464 -6.593 784 HB3 TYR 90 3HB TYR 90 -6.018 6.668 -5.690 785 HD1 TYR 90 HD2 TYR 90 -8.218 5.974 -4.570 786 HD2 TYR 90 HD1 TYR 90 -5.499 3.109 -6.218 787 HE1 TYR 90 HE2 TYR 90 -9.275 4.196 -3.237 788 HE2 TYR 90 HE1 TYR 90 -6.555 1.334 -4.879 789 HH TYR 90 HH TYR 90 -9.527 1.741 -3.289 790 H ASN 91 H ASN 91 -7.636 8.632 -7.759 791 HA ASN 91 HA ASN 91 -5.691 9.439 -9.826 792 HB2 ASN 91 2HB ASN 91 -8.229 10.827 -8.850 793 HB3 ASN 91 3HB ASN 91 -7.149 11.491 -10.067 794 HD21 ASN 91 1HD2 ASN 91 -8.460 8.195 -9.623 795 HD22 ASN 91 2HD2 ASN 91 -9.239 8.139 -11.153 796 H ASP 92 H ASP 92 -3.844 9.679 -8.429 797 HA ASP 92 HA ASP 92 -2.257 10.953 -7.457 798 HB2 ASP 92 2HB ASP 92 -2.614 12.408 -9.325 799 HB3 ASP 92 3HB ASP 92 -4.070 13.092 -8.617 800 H SER 93 H SER 93 -4.907 13.184 -6.579 801 HA SER 93 HA SER 93 -3.868 13.713 -4.002 802 HB2 SER 93 2HB SER 93 -6.632 14.320 -5.104 803 HB3 SER 93 3HB SER 93 -5.868 15.108 -3.719 804 HG SER 93 HG SER 93 -4.163 15.303 -5.721 805 H ASN 94 H ASN 94 -5.970 11.164 -5.066 806 HA ASN 94 HA ASN 94 -7.241 10.339 -2.718 807 HB2 ASN 94 2HB ASN 94 -5.929 8.682 -4.926 808 HB3 ASN 94 3HB ASN 94 -6.884 7.958 -3.633 809 HD21 ASN 94 1HD2 ASN 94 -9.089 7.890 -3.893 810 HD22 ASN 94 2HD2 ASN 94 -9.940 8.625 -5.206 811 H VAL 95 H VAL 95 -3.874 10.114 -3.660 812 HA VAL 95 HA VAL 95 -3.074 8.458 -1.349 813 HB VAL 95 HB VAL 95 -1.465 9.339 -3.808 814 HG11 VAL 95 1HG1 VAL 95 -0.831 7.147 -1.795 815 HG12 VAL 95 2HG1 VAL 95 -0.022 8.713 -1.905 816 HG13 VAL 95 3HG1 VAL 95 0.120 7.553 -3.227 817 HG21 VAL 95 3HG2 VAL 95 -3.387 7.964 -4.492 818 HG22 VAL 95 1HG2 VAL 95 -2.891 6.693 -3.370 819 HG23 VAL 95 2HG2 VAL 95 -1.868 7.103 -4.749 820 H THR 96 H THR 96 -2.423 9.682 0.465 821 HA THR 96 HA THR 96 -0.417 11.802 0.037 822 HB THR 96 HB THR 96 -2.832 12.212 1.861 823 HG1 THR 96 HG1 THR 96 -2.259 13.003 -0.758 824 HG21 THR 96 3HG2 THR 96 -0.807 13.313 2.758 825 HG22 THR 96 1HG2 THR 96 -1.955 14.513 2.155 826 HG23 THR 96 2HG2 THR 96 -0.534 14.093 1.199 827 H TRP 97 H TRP 97 1.271 11.565 1.376 828 HA TRP 97 HA TRP 97 1.279 9.478 3.430 829 HB2 TRP 97 2HB TRP 97 3.452 11.074 2.027 830 HB3 TRP 97 3HB TRP 97 3.825 10.182 3.498 831 HD1 TRP 97 HD1 TRP 97 2.380 9.439 -0.045 832 HE1 TRP 97 HE1 TRP 97 3.033 7.030 -0.660 833 HE3 TRP 97 HE3 TRP 97 4.724 8.078 4.304 834 HZ2 TRP 97 HZ2 TRP 97 4.397 4.861 0.515 835 HZ3 TRP 97 HZ3 TRP 97 5.689 5.816 4.467 836 HH2 TRP 97 HH2 TRP 97 5.526 4.241 2.610 837 H ASP 98 H ASP 98 2.024 9.795 5.554 838 HA ASP 98 HA ASP 98 2.578 12.387 6.679 839 HB2 ASP 98 2HB ASP 98 0.068 12.448 6.593 840 HB3 ASP 98 3HB ASP 98 0.004 10.967 7.539 841 H GLY 99 H GLY 99 4.466 11.422 7.344 842 HA2 GLY 99 2HA GLY 99 5.926 10.388 8.769 843 HA3 GLY 99 3HA GLY 99 4.595 10.322 9.914 844 H ASP 100 H ASP 100 5.488 8.723 6.855 845 HA ASP 100 HA ASP 100 5.723 6.595 6.173 846 HB2 ASP 100 2HB ASP 100 5.776 5.856 9.128 847 HB3 ASP 100 3HB ASP 100 6.114 4.728 7.816 848 H THR 101 H THR 101 2.980 7.753 7.355 849 HA THR 101 HA THR 101 1.424 5.283 6.836 850 HB THR 101 HB THR 101 0.619 7.650 8.601 851 HG1 THR 101 HG1 THR 101 2.337 6.107 9.369 852 HG21 THR 101 3HG2 THR 101 -0.729 4.953 8.180 853 HG22 THR 101 1HG2 THR 101 -1.329 6.511 7.597 854 HG23 THR 101 2HG2 THR 101 -1.236 6.192 9.328 855 H VAL 102 H VAL 102 0.613 5.458 4.818 856 HA VAL 102 HA VAL 102 -0.098 8.110 3.726 857 HB VAL 102 HB VAL 102 1.460 6.869 2.323 858 HG11 VAL 102 1HG1 VAL 102 -0.576 4.636 2.164 859 HG12 VAL 102 2HG1 VAL 102 0.980 4.569 2.990 860 HG13 VAL 102 3HG1 VAL 102 0.922 4.735 1.233 861 HG21 VAL 102 3HG2 VAL 102 0.211 6.876 0.180 862 HG22 VAL 102 1HG2 VAL 102 -0.146 8.291 1.175 863 HG23 VAL 102 2HG2 VAL 102 -1.304 6.965 1.082 864 H THR 103 H THR 103 -2.187 8.650 3.784 865 HA THR 103 HA THR 103 -4.290 6.641 4.128 866 HB THR 103 HB THR 103 -4.381 9.696 4.245 867 HG1 THR 103 HG1 THR 103 -3.622 9.330 6.180 868 HG21 THR 103 3HG2 THR 103 -6.586 8.746 3.606 869 HG22 THR 103 1HG2 THR 103 -6.618 9.432 5.234 870 HG23 THR 103 2HG2 THR 103 -6.528 7.683 5.016 871 H VAL 104 H VAL 104 -4.776 5.768 2.217 872 HA VAL 104 HA VAL 104 -5.163 7.418 -0.199 873 HB VAL 104 HB VAL 104 -4.794 4.383 -0.032 874 HG11 VAL 104 1HG1 VAL 104 -4.493 4.486 -2.491 875 HG12 VAL 104 2HG1 VAL 104 -4.850 6.213 -2.468 876 HG13 VAL 104 3HG1 VAL 104 -6.098 5.050 -2.013 877 HG21 VAL 104 3HG2 VAL 104 -2.538 4.747 -0.933 878 HG22 VAL 104 1HG2 VAL 104 -2.733 5.534 0.632 879 HG23 VAL 104 2HG2 VAL 104 -2.772 6.492 -0.850 880 H GLU 105 H GLU 105 -7.261 7.962 -0.381 881 HA GLU 105 HA GLU 105 -9.333 5.917 0.111 882 HB2 GLU 105 2HB GLU 105 -10.736 7.579 1.305 883 HB3 GLU 105 3HB GLU 105 -9.245 7.222 2.167 884 HG2 GLU 105 2HG GLU 105 -8.267 9.347 1.346 885 HG3 GLU 105 3HG GLU 105 -9.778 9.705 0.507 886 H GLY 106 H GLY 106 -11.214 6.159 -1.072 887 HA2 GLY 106 2HA GLY 106 -12.034 8.182 -2.729 888 HA3 GLY 106 3HA GLY 106 -10.836 7.299 -3.673 889 H GLN 107 H GLN 107 -12.525 6.815 -5.132 890 HA GLN 107 HA GLN 107 -14.791 5.232 -4.214 891 HB2 GLN 107 2HB GLN 107 -15.643 5.515 -6.532 892 HB3 GLN 107 3HB GLN 107 -15.300 7.040 -5.729 893 HG2 GLN 107 2HG GLN 107 -13.108 7.118 -6.992 894 HG3 GLN 107 3HG GLN 107 -13.651 5.705 -7.897 895 HE21 GLN 107 1HE2 GLN 107 -12.981 8.285 -8.955 896 HE22 GLN 107 2HE2 GLN 107 -14.397 8.903 -9.735 897 H LEU 108 H LEU 108 -14.575 3.136 -4.028 898 HA LEU 108 HA LEU 108 -12.894 1.425 -5.615 899 HB2 LEU 108 2HB LEU 108 -13.559 1.034 -3.187 900 HB3 LEU 108 3HB LEU 108 -15.195 0.702 -3.732 901 HG LEU 108 HG LEU 108 -14.368 -1.286 -4.987 902 HD11 LEU 108 1HD1 LEU 108 -12.093 -0.611 -5.501 903 HD12 LEU 108 2HD1 LEU 108 -12.080 -2.134 -4.614 904 HD13 LEU 108 3HD1 LEU 108 -11.668 -0.631 -3.787 905 HD21 LEU 108 3HD2 LEU 108 -15.222 -1.563 -2.733 906 HD22 LEU 108 1HD2 LEU 108 -13.618 -1.262 -2.059 907 HD23 LEU 108 2HD2 LEU 108 -13.913 -2.701 -3.039 908 H GLU 109 H GLU 109 -14.068 -0.600 -6.615 909 HA GLU 109 HA GLU 109 -15.398 -1.607 -8.115 910 HB2 GLU 109 2HB GLU 109 -17.441 -0.549 -7.164 911 HB3 GLU 109 3HB GLU 109 -17.163 0.890 -8.138 912 HG2 GLU 109 2HG GLU 109 -17.426 -0.517 -10.193 913 HG3 GLU 109 3HG GLU 109 -17.823 -1.891 -9.166 914 H GLY 110 H GLY 110 -14.804 1.841 -8.747 915 HA2 GLY 110 2HA GLY 110 -14.091 1.581 -11.512 916 HA3 GLY 110 3HA GLY 110 -13.660 2.908 -10.436 917 H VAL 111 H VAL 111 -12.308 1.450 -8.450 918 HA VAL 111 HA VAL 111 -9.793 0.684 -9.667 919 HB VAL 111 HB VAL 111 -10.671 0.540 -6.740 920 HG11 VAL 111 1HG1 VAL 111 -8.795 -0.990 -7.169 921 HG12 VAL 111 2HG1 VAL 111 -8.253 0.382 -6.201 922 HG13 VAL 111 3HG1 VAL 111 -7.878 0.317 -7.925 923 HG21 VAL 111 3HG2 VAL 111 -10.711 2.853 -7.580 924 HG22 VAL 111 1HG2 VAL 111 -9.054 2.684 -8.168 925 HG23 VAL 111 2HG2 VAL 111 -9.384 2.639 -6.434 926 H ASP 112 H ASP 112 -10.017 -1.187 -10.823 927 HA ASP 112 HA ASP 112 -10.416 -3.742 -9.595 928 HB2 ASP 112 2HB ASP 112 -12.810 -2.980 -9.767 929 HB3 ASP 112 3HB ASP 112 -12.609 -2.738 -11.496 930 H LEU 113 H LEU 113 -9.239 -5.156 -10.823 931 HA LEU 113 HA LEU 113 -8.799 -4.595 -13.712 932 HB2 LEU 113 2HB LEU 113 -6.880 -5.963 -11.771 933 HB3 LEU 113 3HB LEU 113 -6.608 -5.745 -13.493 934 HG LEU 113 HG LEU 113 -6.714 -3.549 -11.392 935 HD11 LEU 113 1HD1 LEU 113 -4.408 -4.542 -13.098 936 HD12 LEU 113 2HD1 LEU 113 -4.631 -4.834 -11.370 937 HD13 LEU 113 3HD1 LEU 113 -4.358 -3.196 -11.954 938 HD21 LEU 113 3HD2 LEU 113 -6.151 -1.972 -13.192 939 HD22 LEU 113 1HD2 LEU 113 -7.726 -2.715 -13.455 940 HD23 LEU 113 2HD2 LEU 113 -6.330 -3.257 -14.390 941 H GLU 114 H GLU 114 -8.793 -6.394 -15.080 942 HA GLU 114 HA GLU 114 -10.861 -8.271 -14.499 943 HB2 GLU 114 2HB GLU 114 -9.001 -8.124 -16.918 944 HB3 GLU 114 3HB GLU 114 -10.497 -9.053 -16.835 945 HG2 GLU 114 2HG GLU 114 -11.824 -7.044 -16.708 946 HG3 GLU 114 3HG GLU 114 -10.381 -6.045 -16.533 947 H HIS 115 H HIS 115 -9.864 -9.367 -12.700 948 HA HIS 115 HA HIS 115 -9.109 -11.975 -13.374 949 HB2 HIS 115 2HB HIS 115 -6.919 -12.050 -11.969 950 HB3 HIS 115 3HB HIS 115 -6.807 -11.411 -13.596 951 HD1 HIS 115 HD1 HIS 115 -5.649 -9.241 -13.847 952 HD2 HIS 115 HD2 HIS 115 -6.865 -9.868 -9.922 953 HE1 HIS 115 HE1 HIS 115 -4.608 -7.394 -12.512 954 HE2 HIS 115 HE2 HIS 115 -5.252 -7.866 -10.137 955 H HIS 116 H HIS 116 -11.100 -12.082 -12.293 956 HA HIS 116 HA HIS 116 -11.318 -11.509 -9.461 957 HB2 HIS 116 2HB HIS 116 -13.274 -11.333 -11.007 958 HB3 HIS 116 3HB HIS 116 -13.199 -13.066 -11.295 959 HD1 HIS 116 HD1 HIS 116 -13.697 -10.706 -8.311 960 HD2 HIS 116 HD2 HIS 116 -14.917 -14.433 -9.686 961 HE1 HIS 116 HE1 HIS 116 -15.485 -11.464 -6.721 962 HE2 HIS 116 HE2 HIS 116 -16.311 -13.637 -7.674 963 H HIS 117 H HIS 117 -9.387 -12.667 -9.039 964 HA HIS 117 HA HIS 117 -8.985 -15.450 -9.163 965 HB2 HIS 117 2HB HIS 117 -7.173 -14.996 -7.488 966 HB3 HIS 117 3HB HIS 117 -7.155 -13.815 -8.802 967 HD1 HIS 117 HD1 HIS 117 -7.625 -14.122 -5.130 968 HD2 HIS 117 HD2 HIS 117 -8.115 -11.177 -8.020 969 HE1 HIS 117 HE1 HIS 117 -8.128 -12.017 -3.869 970 HE2 HIS 117 HE2 HIS 117 -8.249 -10.227 -5.629 971 H HIS 118 H HIS 118 -10.624 -13.380 -6.878 972 HA HIS 118 HA HIS 118 -10.855 -15.365 -4.767 973 HB2 HIS 118 2HB HIS 118 -10.414 -13.133 -4.059 974 HB3 HIS 118 3HB HIS 118 -11.662 -12.456 -5.087 975 HD1 HIS 118 HD1 HIS 118 -13.746 -11.854 -3.941 976 HD2 HIS 118 HD2 HIS 118 -11.609 -14.716 -1.820 977 HE1 HIS 118 HE1 HIS 118 -15.027 -12.220 -1.816 978 HE2 HIS 118 HE2 HIS 118 -13.822 -14.090 -0.651 979 H HIS 119 H HIS 119 -12.355 -16.870 -4.976 980 HA HIS 119 HA HIS 119 -15.045 -16.240 -6.054 981 HB2 HIS 119 2HB HIS 119 -15.033 -18.618 -6.965 982 HB3 HIS 119 3HB HIS 119 -13.906 -17.529 -7.759 983 HD1 HIS 119 HD1 HIS 119 -11.352 -17.871 -7.212 984 HD2 HIS 119 HD2 HIS 119 -13.867 -20.874 -5.843 985 HE1 HIS 119 HE1 HIS 119 -9.836 -19.761 -6.561 986 HE2 HIS 119 HE2 HIS 119 -11.378 -21.523 -5.635 987 H HIS 120 H HIS 120 -14.334 -15.972 -3.376 988 HA HIS 120 HA HIS 120 -15.678 -18.252 -2.037 989 HB2 HIS 120 2HB HIS 120 -13.254 -18.152 -1.446 990 HB3 HIS 120 3HB HIS 120 -13.462 -16.494 -0.882 991 HD1 HIS 120 HD1 HIS 120 -14.868 -16.166 1.329 992 HD2 HIS 120 HD2 HIS 120 -14.042 -20.132 0.384 993 HE1 HIS 120 HE1 HIS 120 -15.475 -17.487 3.376 994 HE2 HIS 120 HE2 HIS 120 -14.769 -19.838 2.844 Start of MODEL 4 1 H1 MET 1 1H MET 1 21.122 -1.798 2.575 2 H2 MET 1 2H MET 1 21.615 -3.295 3.193 3 H3 MET 1 3H MET 1 20.557 -2.321 4.081 4 HA MET 1 HA MET 1 19.454 -4.168 3.063 5 HB2 MET 1 2HB MET 1 17.581 -2.890 2.036 6 HB3 MET 1 3HB MET 1 18.144 -2.175 3.536 7 HG2 MET 1 2HG MET 1 18.713 -1.164 0.740 8 HG3 MET 1 3HG MET 1 17.623 -0.434 1.920 9 HE1 MET 1 3HE MET 1 20.105 0.951 0.253 10 HE2 MET 1 1HE MET 1 20.724 2.039 1.500 11 HE3 MET 1 2HE MET 1 18.988 1.863 1.270 12 H SER 2 H SER 2 20.758 -5.477 1.800 13 HA SER 2 HA SER 2 21.371 -4.961 -0.963 14 HB2 SER 2 2HB SER 2 21.321 -7.586 0.596 15 HB3 SER 2 3HB SER 2 22.060 -7.347 -0.991 16 HG SER 2 HG SER 2 23.405 -5.736 0.061 17 H GLY 3 H GLY 3 18.939 -6.781 0.812 18 HA2 GLY 3 2HA GLY 3 16.859 -6.436 -1.101 19 HA3 GLY 3 3HA GLY 3 17.525 -8.070 -1.194 20 H LYS 4 H LYS 4 16.327 -5.681 1.148 21 HA LYS 4 HA LYS 4 15.814 -7.598 3.220 22 HB2 LYS 4 2HB LYS 4 15.093 -4.666 2.867 23 HB3 LYS 4 3HB LYS 4 14.442 -5.588 4.214 24 HG2 LYS 4 2HG LYS 4 17.393 -5.158 3.658 25 HG3 LYS 4 3HG LYS 4 16.435 -4.255 4.833 26 HD2 LYS 4 2HD LYS 4 17.092 -7.232 4.912 27 HD3 LYS 4 3HD LYS 4 17.735 -5.976 5.971 28 HE2 LYS 4 2HE LYS 4 14.848 -6.930 5.864 29 HE3 LYS 4 3HE LYS 4 16.020 -7.260 7.139 30 HZ1 LYS 4 3HZ LYS 4 14.925 -4.593 6.423 31 HZ2 LYS 4 1HZ LYS 4 16.092 -4.878 7.617 32 HZ3 LYS 4 2HZ LYS 4 14.532 -5.504 7.789 33 H LYS 5 H LYS 5 13.986 -8.636 3.733 34 HA LYS 5 HA LYS 5 11.590 -8.468 2.102 35 HB2 LYS 5 2HB LYS 5 12.406 -10.637 3.117 36 HB3 LYS 5 3HB LYS 5 12.076 -9.980 4.714 37 HG2 LYS 5 2HG LYS 5 9.687 -9.877 4.228 38 HG3 LYS 5 3HG LYS 5 9.971 -10.387 2.562 39 HD2 LYS 5 2HD LYS 5 9.172 -12.283 3.841 40 HD3 LYS 5 3HD LYS 5 10.856 -12.561 3.400 41 HE2 LYS 5 2HE LYS 5 11.575 -11.967 5.672 42 HE3 LYS 5 3HE LYS 5 9.917 -11.554 6.113 43 HZ1 LYS 5 3HZ LYS 5 10.499 -13.725 6.928 44 HZ2 LYS 5 1HZ LYS 5 10.906 -14.254 5.374 45 HZ3 LYS 5 2HZ LYS 5 9.303 -13.873 5.747 46 H VAL 6 H VAL 6 10.269 -6.776 2.429 47 HA VAL 6 HA VAL 6 10.301 -5.314 4.997 48 HB VAL 6 HB VAL 6 10.795 -3.917 3.008 49 HG11 VAL 6 1HG1 VAL 6 9.594 -5.207 1.267 50 HG12 VAL 6 2HG1 VAL 6 9.138 -3.506 1.224 51 HG13 VAL 6 3HG1 VAL 6 8.044 -4.692 1.940 52 HG21 VAL 6 3HG2 VAL 6 8.048 -3.272 4.123 53 HG22 VAL 6 1HG2 VAL 6 9.185 -2.134 3.393 54 HG23 VAL 6 2HG2 VAL 6 9.586 -2.914 4.921 55 H GLU 7 H GLU 7 8.243 -4.700 5.946 56 HA GLU 7 HA GLU 7 6.101 -6.666 5.390 57 HB2 GLU 7 2HB GLU 7 6.975 -5.368 8.001 58 HB3 GLU 7 3HB GLU 7 5.574 -6.416 7.824 59 HG2 GLU 7 2HG GLU 7 6.941 -8.310 7.265 60 HG3 GLU 7 3HG GLU 7 8.385 -7.300 7.140 61 H VAL 8 H VAL 8 4.483 -5.753 4.436 62 HA VAL 8 HA VAL 8 3.884 -2.883 4.647 63 HB VAL 8 HB VAL 8 3.071 -4.977 2.576 64 HG11 VAL 8 1HG1 VAL 8 2.103 -3.107 1.257 65 HG12 VAL 8 2HG1 VAL 8 2.424 -2.000 2.593 66 HG13 VAL 8 3HG1 VAL 8 1.265 -3.315 2.796 67 HG21 VAL 8 3HG2 VAL 8 4.555 -3.720 1.037 68 HG22 VAL 8 1HG2 VAL 8 5.455 -4.315 2.432 69 HG23 VAL 8 2HG2 VAL 8 4.991 -2.614 2.341 70 H GLN 9 H GLN 9 2.230 -2.310 5.904 71 HA GLN 9 HA GLN 9 0.271 -4.297 6.846 72 HB2 GLN 9 2HB GLN 9 0.856 -1.493 7.918 73 HB3 GLN 9 3HB GLN 9 -0.221 -2.687 8.636 74 HG2 GLN 9 2HG GLN 9 1.764 -4.169 8.997 75 HG3 GLN 9 3HG GLN 9 2.792 -2.857 8.422 76 HE21 GLN 9 1HE2 GLN 9 -0.089 -2.465 10.485 77 HE22 GLN 9 2HE2 GLN 9 0.774 -1.921 11.880 78 H VAL 10 H VAL 10 -1.344 -4.349 5.355 79 HA VAL 10 HA VAL 10 -2.340 -1.872 4.109 80 HB VAL 10 HB VAL 10 -3.163 -4.766 3.544 81 HG11 VAL 10 1HG1 VAL 10 -4.157 -3.845 1.452 82 HG12 VAL 10 2HG1 VAL 10 -3.729 -2.213 1.968 83 HG13 VAL 10 3HG1 VAL 10 -4.909 -3.148 2.888 84 HG21 VAL 10 3HG2 VAL 10 -1.193 -3.006 2.019 85 HG22 VAL 10 1HG2 VAL 10 -1.746 -4.606 1.513 86 HG23 VAL 10 2HG2 VAL 10 -0.785 -4.430 2.982 87 H LYS 11 H LYS 11 -3.730 -0.819 5.396 88 HA LYS 11 HA LYS 11 -5.638 -2.289 7.134 89 HB2 LYS 11 2HB LYS 11 -3.997 -0.861 8.326 90 HB3 LYS 11 3HB LYS 11 -4.459 0.524 7.347 91 HG2 LYS 11 2HG LYS 11 -6.742 0.429 8.359 92 HG3 LYS 11 3HG LYS 11 -6.201 -0.895 9.394 93 HD2 LYS 11 2HD LYS 11 -5.002 1.910 9.368 94 HD3 LYS 11 3HD LYS 11 -6.182 1.329 10.545 95 HE2 LYS 11 2HE LYS 11 -4.559 -0.375 11.324 96 HE3 LYS 11 3HE LYS 11 -3.389 0.194 10.134 97 HZ1 LYS 11 3HZ LYS 11 -3.324 2.314 11.230 98 HZ2 LYS 11 1HZ LYS 11 -2.962 1.084 12.331 99 HZ3 LYS 11 2HZ LYS 11 -4.486 1.822 12.357 100 H ILE 12 H ILE 12 -7.559 -2.428 5.957 101 HA ILE 12 HA ILE 12 -8.563 0.063 4.691 102 HB ILE 12 HB ILE 12 -7.890 -1.451 2.909 103 HG12 ILE 12 2HG1 ILE 12 -10.944 -1.420 3.087 104 HG13 ILE 12 3HG1 ILE 12 -9.962 -0.031 2.633 105 HG21 ILE 12 1HG2 ILE 12 -8.899 -3.675 2.553 106 HG22 ILE 12 2HG2 ILE 12 -9.787 -3.531 4.072 107 HG23 ILE 12 3HG2 ILE 12 -8.023 -3.612 4.083 108 HD11 ILE 12 3HD1 ILE 12 -10.936 -1.121 0.703 109 HD12 ILE 12 1HD1 ILE 12 -10.129 -2.632 1.117 110 HD13 ILE 12 2HD1 ILE 12 -9.177 -1.217 0.656 111 H THR 13 H THR 13 -10.312 0.807 5.653 112 HA THR 13 HA THR 13 -12.036 -0.926 7.267 113 HB THR 13 HB THR 13 -12.102 2.119 7.015 114 HG1 THR 13 HG1 THR 13 -10.910 0.607 9.116 115 HG21 THR 13 3HG2 THR 13 -13.231 0.245 9.141 116 HG22 THR 13 1HG2 THR 13 -14.184 1.096 7.926 117 HG23 THR 13 2HG2 THR 13 -13.321 2.007 9.166 118 H CYS 14 H CYS 14 -13.828 -1.666 6.371 119 HA CYS 14 HA CYS 14 -15.388 -0.151 4.405 120 HB2 CYS 14 2HB CYS 14 -13.976 -1.528 2.987 121 HB3 CYS 14 3HB CYS 14 -14.285 -2.957 3.973 122 H ASN 15 H ASN 15 -17.552 -0.556 4.528 123 HA ASN 15 HA ASN 15 -19.577 -1.235 5.219 124 HB2 ASN 15 2HB ASN 15 -18.749 -3.563 4.680 125 HB3 ASN 15 3HB ASN 15 -18.236 -3.739 6.352 126 HD21 ASN 15 1HD2 ASN 15 -20.135 -5.293 4.784 127 HD22 ASN 15 2HD2 ASN 15 -21.635 -5.254 5.636 128 H GLY 16 H GLY 16 -17.645 -2.610 7.867 129 HA2 GLY 16 2HA GLY 16 -17.736 -0.286 9.534 130 HA3 GLY 16 3HA GLY 16 -18.855 -1.535 10.082 131 H LYS 17 H LYS 17 -16.176 -2.749 8.428 132 HA LYS 17 HA LYS 17 -14.803 -3.567 10.912 133 HB2 LYS 17 2HB LYS 17 -15.582 -5.186 8.455 134 HB3 LYS 17 3HB LYS 17 -14.282 -5.715 9.513 135 HG2 LYS 17 2HG LYS 17 -17.134 -5.232 10.450 136 HG3 LYS 17 3HG LYS 17 -16.504 -6.807 9.954 137 HD2 LYS 17 2HD LYS 17 -15.450 -5.121 12.273 138 HD3 LYS 17 3HD LYS 17 -16.470 -6.555 12.420 139 HE2 LYS 17 2HE LYS 17 -14.673 -7.937 11.428 140 HE3 LYS 17 3HE LYS 17 -13.657 -6.507 11.253 141 HZ1 LYS 17 3HZ LYS 17 -14.635 -7.623 13.820 142 HZ2 LYS 17 1HZ LYS 17 -13.634 -6.271 13.643 143 HZ3 LYS 17 2HZ LYS 17 -13.073 -7.803 13.190 144 H THR 18 H THR 18 -12.634 -3.405 10.879 145 HA THR 18 HA THR 18 -11.295 -2.351 8.469 146 HB THR 18 HB THR 18 -10.252 -2.516 11.331 147 HG1 THR 18 HG1 THR 18 -12.035 -1.026 10.962 148 HG21 THR 18 3HG2 THR 18 -8.423 -2.499 9.645 149 HG22 THR 18 1HG2 THR 18 -8.478 -0.971 10.526 150 HG23 THR 18 2HG2 THR 18 -9.129 -1.068 8.890 151 H TYR 19 H TYR 19 -10.133 -3.706 7.287 152 HA TYR 19 HA TYR 19 -9.342 -6.372 8.284 153 HB2 TYR 19 2HB TYR 19 -9.710 -5.413 5.396 154 HB3 TYR 19 3HB TYR 19 -9.324 -7.056 5.902 155 HD1 TYR 19 HD2 TYR 19 -12.011 -4.488 5.754 156 HD2 TYR 19 HD1 TYR 19 -11.077 -8.539 6.777 157 HE1 TYR 19 HE2 TYR 19 -14.401 -5.010 5.887 158 HE2 TYR 19 HE1 TYR 19 -13.475 -9.053 6.912 159 HH TYR 19 HH TYR 19 -15.885 -6.901 5.770 160 H GLU 20 H GLU 20 -7.338 -6.019 9.104 161 HA GLU 20 HA GLU 20 -5.279 -4.886 7.321 162 HB2 GLU 20 2HB GLU 20 -4.166 -3.791 9.203 163 HB3 GLU 20 3HB GLU 20 -5.803 -3.180 9.015 164 HG2 GLU 20 2HG GLU 20 -6.572 -4.423 10.935 165 HG3 GLU 20 3HG GLU 20 -5.035 -5.279 11.062 166 H ARG 21 H ARG 21 -3.412 -5.919 7.265 167 HA ARG 21 HA ARG 21 -2.531 -7.775 9.288 168 HB2 ARG 21 2HB ARG 21 -3.919 -9.297 7.950 169 HB3 ARG 21 3HB ARG 21 -3.152 -8.756 6.462 170 HG2 ARG 21 2HG ARG 21 -1.015 -9.770 7.174 171 HG3 ARG 21 3HG ARG 21 -1.746 -10.261 8.700 172 HD2 ARG 21 2HD ARG 21 -3.241 -11.797 7.556 173 HD3 ARG 21 3HD ARG 21 -2.698 -11.218 5.981 174 HE ARG 21 HE ARG 21 -0.762 -12.457 6.178 175 HH11 ARG 21 1HH1 ARG 21 -2.517 -12.647 9.230 176 HH12 ARG 21 2HH1 ARG 21 -1.541 -13.940 9.843 177 HH21 ARG 21 1HH2 ARG 21 0.476 -14.164 6.993 178 HH22 ARG 21 2HH2 ARG 21 0.156 -14.800 8.573 179 H THR 22 H THR 22 -0.333 -8.139 9.170 180 HA THR 22 HA THR 22 1.217 -6.263 7.540 181 HB THR 22 HB THR 22 2.129 -8.051 9.849 182 HG1 THR 22 HG1 THR 22 0.571 -5.823 9.845 183 HG21 THR 22 3HG2 THR 22 3.983 -6.435 10.038 184 HG22 THR 22 1HG2 THR 22 3.362 -5.543 8.638 185 HG23 THR 22 2HG2 THR 22 3.975 -7.186 8.447 186 H TYR 23 H TYR 23 1.800 -7.056 5.608 187 HA TYR 23 HA TYR 23 2.160 -9.939 5.132 188 HB2 TYR 23 2HB TYR 23 1.909 -7.653 3.117 189 HB3 TYR 23 3HB TYR 23 1.929 -9.373 2.736 190 HD1 TYR 23 HD2 TYR 23 -0.039 -10.803 3.289 191 HD2 TYR 23 HD1 TYR 23 -0.114 -6.577 3.954 192 HE1 TYR 23 HE2 TYR 23 -2.487 -10.876 3.490 193 HE2 TYR 23 HE1 TYR 23 -2.555 -6.649 4.150 194 HH TYR 23 HH TYR 23 -4.278 -9.553 4.523 195 H GLN 24 H GLN 24 4.114 -10.774 4.594 196 HA GLN 24 HA GLN 24 6.498 -9.057 4.662 197 HB2 GLN 24 2HB GLN 24 6.154 -12.084 4.761 198 HB3 GLN 24 3HB GLN 24 7.722 -11.310 4.646 199 HG2 GLN 24 2HG GLN 24 7.409 -11.897 6.926 200 HG3 GLN 24 3HG GLN 24 7.245 -10.147 6.825 201 HE21 GLN 24 1HE2 GLN 24 5.210 -9.214 7.217 202 HE22 GLN 24 2HE2 GLN 24 3.919 -10.095 7.951 203 H LEU 25 H LEU 25 6.914 -8.176 2.727 204 HA LEU 25 HA LEU 25 6.705 -9.748 0.236 205 HB2 LEU 25 2HB LEU 25 6.761 -6.713 0.516 206 HB3 LEU 25 3HB LEU 25 6.478 -7.627 -0.958 207 HG LEU 25 HG LEU 25 4.602 -7.300 1.415 208 HD11 LEU 25 1HD1 LEU 25 4.290 -6.526 -1.500 209 HD12 LEU 25 2HD1 LEU 25 4.580 -5.436 -0.142 210 HD13 LEU 25 3HD1 LEU 25 3.067 -6.329 -0.240 211 HD21 LEU 25 3HD2 LEU 25 4.448 -9.643 0.709 212 HD22 LEU 25 1HD2 LEU 25 4.225 -9.155 -0.974 213 HD23 LEU 25 2HD2 LEU 25 2.994 -8.774 0.233 214 H TYR 26 H TYR 26 8.689 -10.595 -0.126 215 HA TYR 26 HA TYR 26 11.163 -9.217 0.492 216 HB2 TYR 26 2HB TYR 26 10.932 -11.715 0.671 217 HB3 TYR 26 3HB TYR 26 10.719 -11.804 -1.073 218 HD1 TYR 26 HD2 TYR 26 12.688 -11.414 -2.601 219 HD2 TYR 26 HD1 TYR 26 13.131 -11.300 1.648 220 HE1 TYR 26 HE2 TYR 26 15.129 -11.546 -2.849 221 HE2 TYR 26 HE1 TYR 26 15.561 -11.435 1.401 222 HH TYR 26 HH TYR 26 17.151 -10.914 -1.526 223 H ALA 27 H ALA 27 12.215 -7.861 -0.860 224 HA ALA 27 HA ALA 27 12.014 -8.226 -3.780 225 HB1 ALA 27 3HB ALA 27 11.773 -5.802 -4.163 226 HB2 ALA 27 1HB ALA 27 11.651 -5.529 -2.422 227 HB3 ALA 27 2HB ALA 27 10.400 -6.444 -3.261 228 H VAL 28 H VAL 28 13.860 -7.684 -4.887 229 HA VAL 28 HA VAL 28 16.334 -7.186 -3.428 230 HB VAL 28 HB VAL 28 15.838 -7.456 -6.438 231 HG11 VAL 28 1HG1 VAL 28 18.276 -7.906 -6.612 232 HG12 VAL 28 2HG1 VAL 28 18.456 -7.589 -4.885 233 HG13 VAL 28 3HG1 VAL 28 17.957 -6.292 -5.971 234 HG21 VAL 28 3HG2 VAL 28 16.753 -9.582 -4.451 235 HG22 VAL 28 1HG2 VAL 28 16.632 -9.793 -6.202 236 HG23 VAL 28 2HG2 VAL 28 15.177 -9.514 -5.244 237 H ARG 29 H ARG 29 14.160 -5.560 -5.676 238 HA ARG 29 HA ARG 29 15.571 -2.970 -5.339 239 HB2 ARG 29 2HB ARG 29 13.867 -3.755 -7.742 240 HB3 ARG 29 3HB ARG 29 14.917 -2.350 -7.585 241 HG2 ARG 29 2HG ARG 29 16.901 -3.743 -7.747 242 HG3 ARG 29 3HG ARG 29 15.926 -5.215 -7.671 243 HD2 ARG 29 2HD ARG 29 14.796 -4.481 -9.802 244 HD3 ARG 29 3HD ARG 29 15.965 -3.167 -9.908 245 HE ARG 29 HE ARG 29 17.713 -4.948 -9.991 246 HH11 ARG 29 1HH1 ARG 29 14.434 -5.717 -11.004 247 HH12 ARG 29 2HH1 ARG 29 14.939 -6.991 -12.067 248 HH21 ARG 29 1HH2 ARG 29 18.348 -6.577 -11.445 249 HH22 ARG 29 2HH2 ARG 29 17.147 -7.473 -12.314 250 H ASP 30 H ASP 30 14.191 -1.107 -5.428 251 HA ASP 30 HA ASP 30 11.725 -1.177 -4.047 252 HB2 ASP 30 2HB ASP 30 11.538 1.242 -4.759 253 HB3 ASP 30 3HB ASP 30 13.082 0.843 -4.016 254 H GLU 31 H GLU 31 12.521 -1.104 -7.489 255 HA GLU 31 HA GLU 31 9.936 -0.693 -8.547 256 HB2 GLU 31 2HB GLU 31 12.008 -0.298 -9.825 257 HB3 GLU 31 3HB GLU 31 12.366 -2.020 -9.814 258 HG2 GLU 31 2HG GLU 31 10.470 -2.494 -11.248 259 HG3 GLU 31 3HG GLU 31 9.896 -0.831 -11.126 260 H GLU 32 H GLU 32 11.548 -3.590 -7.399 261 HA GLU 32 HA GLU 32 9.842 -5.521 -8.627 262 HB2 GLU 32 2HB GLU 32 11.406 -5.831 -6.028 263 HB3 GLU 32 3HB GLU 32 10.752 -7.135 -7.014 264 HG2 GLU 32 2HG GLU 32 13.137 -5.375 -7.526 265 HG3 GLU 32 3HG GLU 32 13.043 -7.130 -7.518 266 H LEU 33 H LEU 33 9.715 -3.690 -5.621 267 HA LEU 33 HA LEU 33 7.680 -5.183 -4.328 268 HB2 LEU 33 2HB LEU 33 9.458 -3.266 -3.511 269 HB3 LEU 33 3HB LEU 33 8.014 -2.288 -3.609 270 HG LEU 33 HG LEU 33 8.440 -3.107 -1.308 271 HD11 LEU 33 1HD1 LEU 33 6.116 -2.674 -1.914 272 HD12 LEU 33 2HD1 LEU 33 6.255 -3.969 -0.730 273 HD13 LEU 33 3HD1 LEU 33 5.926 -4.355 -2.421 274 HD21 LEU 33 3HD2 LEU 33 8.078 -5.892 -2.439 275 HD22 LEU 33 1HD2 LEU 33 8.196 -5.484 -0.725 276 HD23 LEU 33 2HD2 LEU 33 9.564 -5.196 -1.790 277 H LYS 34 H LYS 34 7.545 -2.825 -6.872 278 HA LYS 34 HA LYS 34 5.087 -1.563 -6.558 279 HB2 LYS 34 2HB LYS 34 6.453 -2.492 -9.107 280 HB3 LYS 34 3HB LYS 34 5.030 -1.452 -9.094 281 HG2 LYS 34 2HG LYS 34 6.308 0.278 -7.884 282 HG3 LYS 34 3HG LYS 34 7.736 -0.761 -7.898 283 HD2 LYS 34 2HD LYS 34 7.838 0.953 -9.672 284 HD3 LYS 34 3HD LYS 34 7.807 -0.674 -10.356 285 HE2 LYS 34 2HE LYS 34 6.349 0.894 -11.607 286 HE3 LYS 34 3HE LYS 34 5.420 -0.425 -10.898 287 HZ1 LYS 34 3HZ LYS 34 4.331 1.708 -10.618 288 HZ2 LYS 34 1HZ LYS 34 5.670 2.306 -9.759 289 HZ3 LYS 34 2HZ LYS 34 4.744 1.045 -9.119 290 H GLU 35 H GLU 35 5.647 -4.480 -8.587 291 HA GLU 35 HA GLU 35 2.890 -4.927 -9.028 292 HB2 GLU 35 2HB GLU 35 3.632 -7.196 -9.950 293 HB3 GLU 35 3HB GLU 35 4.272 -5.766 -10.732 294 HG2 GLU 35 2HG GLU 35 6.112 -7.194 -10.657 295 HG3 GLU 35 3HG GLU 35 6.373 -6.118 -9.290 296 H LYS 36 H LYS 36 5.054 -6.036 -6.509 297 HA LYS 36 HA LYS 36 3.508 -8.169 -5.450 298 HB2 LYS 36 2HB LYS 36 5.419 -6.339 -3.922 299 HB3 LYS 36 3HB LYS 36 4.898 -7.956 -3.431 300 HG2 LYS 36 2HG LYS 36 6.027 -8.923 -5.390 301 HG3 LYS 36 3HG LYS 36 6.515 -7.309 -5.912 302 HD2 LYS 36 2HD LYS 36 7.745 -7.135 -3.647 303 HD3 LYS 36 3HD LYS 36 7.475 -8.876 -3.500 304 HE2 LYS 36 2HE LYS 36 9.032 -7.447 -5.679 305 HE3 LYS 36 3HE LYS 36 9.687 -8.493 -4.425 306 HZ1 LYS 36 3HZ LYS 36 8.364 -10.317 -5.424 307 HZ2 LYS 36 1HZ LYS 36 9.574 -9.705 -6.435 308 HZ3 LYS 36 2HZ LYS 36 7.962 -9.277 -6.698 309 H LEU 37 H LEU 37 3.631 -4.692 -4.667 310 HA LEU 37 HA LEU 37 1.629 -4.500 -2.734 311 HB2 LEU 37 2HB LEU 37 2.364 -2.558 -4.958 312 HB3 LEU 37 3HB LEU 37 1.238 -2.155 -3.669 313 HG LEU 37 HG LEU 37 4.131 -2.935 -3.158 314 HD11 LEU 37 1HD1 LEU 37 4.624 -0.561 -2.865 315 HD12 LEU 37 2HD1 LEU 37 2.991 -0.140 -3.387 316 HD13 LEU 37 3HD1 LEU 37 4.113 -0.911 -4.514 317 HD21 LEU 37 3HD2 LEU 37 3.766 -1.929 -0.942 318 HD22 LEU 37 1HD2 LEU 37 2.647 -3.260 -1.226 319 HD23 LEU 37 2HD2 LEU 37 2.083 -1.590 -1.356 320 H LYS 38 H LYS 38 1.341 -4.236 -6.307 321 HA LYS 38 HA LYS 38 -1.427 -3.888 -6.509 322 HB2 LYS 38 2HB LYS 38 0.429 -5.277 -8.488 323 HB3 LYS 38 3HB LYS 38 -1.167 -4.629 -8.871 324 HG2 LYS 38 2HG LYS 38 -0.409 -2.360 -8.452 325 HG3 LYS 38 3HG LYS 38 1.136 -2.941 -7.845 326 HD2 LYS 38 2HD LYS 38 1.647 -2.163 -9.999 327 HD3 LYS 38 3HD LYS 38 1.519 -3.905 -10.215 328 HE2 LYS 38 2HE LYS 38 -0.714 -1.943 -10.857 329 HE3 LYS 38 3HE LYS 38 0.456 -2.520 -12.039 330 HZ1 LYS 38 3HZ LYS 38 -1.502 -4.180 -10.553 331 HZ2 LYS 38 1HZ LYS 38 -0.345 -4.777 -11.630 332 HZ3 LYS 38 2HZ LYS 38 -1.575 -3.759 -12.187 333 H LYS 39 H LYS 39 0.426 -6.951 -6.322 334 HA LYS 39 HA LYS 39 -1.679 -8.775 -6.783 335 HB2 LYS 39 2HB LYS 39 0.687 -9.284 -4.914 336 HB3 LYS 39 3HB LYS 39 -0.313 -10.501 -5.703 337 HG2 LYS 39 2HG LYS 39 1.658 -8.628 -7.021 338 HG3 LYS 39 3HG LYS 39 1.834 -10.363 -6.803 339 HD2 LYS 39 2HD LYS 39 0.068 -10.809 -8.408 340 HD3 LYS 39 3HD LYS 39 -0.362 -9.098 -8.496 341 HE2 LYS 39 2HE LYS 39 0.955 -9.856 -10.468 342 HE3 LYS 39 3HE LYS 39 1.756 -8.566 -9.573 343 HZ1 LYS 39 3HZ LYS 39 2.398 -11.446 -9.254 344 HZ2 LYS 39 1HZ LYS 39 3.245 -10.129 -8.607 345 HZ3 LYS 39 2HZ LYS 39 3.238 -10.391 -10.276 346 H VAL 40 H VAL 40 -0.331 -7.571 -3.717 347 HA VAL 40 HA VAL 40 -2.113 -8.918 -1.963 348 HB VAL 40 HB VAL 40 -0.385 -6.439 -1.481 349 HG11 VAL 40 1HG1 VAL 40 -0.561 -6.952 0.942 350 HG12 VAL 40 2HG1 VAL 40 -1.694 -8.259 0.588 351 HG13 VAL 40 3HG1 VAL 40 -2.142 -6.585 0.252 352 HG21 VAL 40 3HG2 VAL 40 1.236 -8.019 -0.470 353 HG22 VAL 40 1HG2 VAL 40 0.926 -8.418 -2.163 354 HG23 VAL 40 2HG2 VAL 40 0.181 -9.374 -0.881 355 H LEU 41 H LEU 41 -2.278 -5.793 -3.571 356 HA LEU 41 HA LEU 41 -4.362 -4.681 -1.956 357 HB2 LEU 41 2HB LEU 41 -3.095 -3.846 -4.575 358 HB3 LEU 41 3HB LEU 41 -4.474 -2.973 -3.915 359 HG LEU 41 HG LEU 41 -1.832 -3.358 -2.447 360 HD11 LEU 41 1HD1 LEU 41 -1.490 -1.917 -4.391 361 HD12 LEU 41 2HD1 LEU 41 -1.353 -1.015 -2.884 362 HD13 LEU 41 3HD1 LEU 41 -2.815 -0.871 -3.862 363 HD21 LEU 41 3HD2 LEU 41 -2.692 -1.731 -0.852 364 HD22 LEU 41 1HD2 LEU 41 -3.784 -3.105 -0.955 365 HD23 LEU 41 2HD2 LEU 41 -4.198 -1.584 -1.760 366 H ASN 42 H ASN 42 -4.284 -6.290 -5.159 367 HA ASN 42 HA ASN 42 -7.076 -6.134 -5.642 368 HB2 ASN 42 2HB ASN 42 -4.813 -7.785 -6.764 369 HB3 ASN 42 3HB ASN 42 -6.446 -8.356 -7.073 370 HD21 ASN 42 1HD2 ASN 42 -4.215 -5.679 -7.608 371 HD22 ASN 42 2HD2 ASN 42 -5.066 -5.008 -8.948 372 H GLU 43 H GLU 43 -5.103 -8.551 -3.926 373 HA GLU 43 HA GLU 43 -7.151 -10.470 -3.472 374 HB2 GLU 43 2HB GLU 43 -4.554 -9.919 -1.981 375 HB3 GLU 43 3HB GLU 43 -5.603 -11.287 -1.612 376 HG2 GLU 43 2HG GLU 43 -4.206 -10.794 -4.268 377 HG3 GLU 43 3HG GLU 43 -3.698 -11.937 -3.026 378 H ARG 44 H ARG 44 -5.909 -7.813 -1.452 379 HA ARG 44 HA ARG 44 -7.562 -8.306 0.792 380 HB2 ARG 44 2HB ARG 44 -5.418 -7.083 0.956 381 HB3 ARG 44 3HB ARG 44 -6.082 -5.769 0.000 382 HG2 ARG 44 2HG ARG 44 -6.089 -5.052 2.285 383 HG3 ARG 44 3HG ARG 44 -7.765 -5.367 1.843 384 HD2 ARG 44 2HD ARG 44 -5.997 -7.293 3.411 385 HD3 ARG 44 3HD ARG 44 -7.155 -6.178 4.138 386 HE ARG 44 HE ARG 44 -8.915 -7.430 2.861 387 HH11 ARG 44 1HH1 ARG 44 -5.928 -9.036 3.711 388 HH12 ARG 44 2HH1 ARG 44 -6.623 -10.625 3.709 389 HH21 ARG 44 1HH2 ARG 44 -9.822 -9.536 2.810 390 HH22 ARG 44 2HH2 ARG 44 -8.837 -10.908 3.195 391 H MET 45 H MET 45 -7.894 -6.198 -2.035 392 HA MET 45 HA MET 45 -10.303 -4.928 -0.981 393 HB2 MET 45 2HB MET 45 -8.730 -4.427 -3.525 394 HB3 MET 45 3HB MET 45 -10.225 -3.588 -3.141 395 HG2 MET 45 2HG MET 45 -9.039 -2.908 -0.935 396 HG3 MET 45 3HG MET 45 -7.555 -3.393 -1.757 397 HE1 MET 45 3HE MET 45 -10.607 -0.881 -1.718 398 HE2 MET 45 1HE MET 45 -10.817 -1.687 -3.275 399 HE3 MET 45 2HE MET 45 -10.341 0.010 -3.216 400 H ASP 46 H ASP 46 -9.730 -7.744 -2.754 401 HA ASP 46 HA ASP 46 -11.896 -7.711 -4.578 402 HB2 ASP 46 2HB ASP 46 -10.102 -9.362 -4.799 403 HB3 ASP 46 3HB ASP 46 -10.521 -10.085 -3.255 404 HA PRO 47 HA PRO 47 -14.687 -9.777 -1.041 405 HB2 PRO 47 2HB PRO 47 -13.873 -9.438 1.579 406 HB3 PRO 47 3HB PRO 47 -13.427 -10.858 0.609 407 HG2 PRO 47 2HG PRO 47 -11.820 -8.355 1.111 408 HG3 PRO 47 3HG PRO 47 -11.311 -10.057 1.244 409 HD2 PRO 47 2HD PRO 47 -10.715 -8.633 -0.943 410 HD3 PRO 47 3HD PRO 47 -11.189 -10.342 -1.085 411 H ILE 48 H ILE 48 -12.929 -6.804 -0.652 412 HA ILE 48 HA ILE 48 -14.780 -5.293 0.905 413 HB ILE 48 HB ILE 48 -12.595 -4.384 -1.030 414 HG12 ILE 48 2HG1 ILE 48 -11.672 -5.772 0.773 415 HG13 ILE 48 3HG1 ILE 48 -11.185 -4.103 1.013 416 HG21 ILE 48 1HG2 ILE 48 -12.610 -2.221 0.161 417 HG22 ILE 48 2HG2 ILE 48 -14.009 -2.751 1.095 418 HG23 ILE 48 3HG2 ILE 48 -14.143 -2.542 -0.649 419 HD11 ILE 48 3HD1 ILE 48 -13.354 -5.558 2.516 420 HD12 ILE 48 1HD1 ILE 48 -12.876 -3.876 2.766 421 HD13 ILE 48 2HD1 ILE 48 -11.735 -5.176 3.099 422 H LYS 49 H LYS 49 -14.425 -6.005 -2.503 423 HA LYS 49 HA LYS 49 -16.330 -4.143 -3.533 424 HB2 LYS 49 2HB LYS 49 -15.381 -6.783 -4.742 425 HB3 LYS 49 3HB LYS 49 -16.215 -5.485 -5.604 426 HG2 LYS 49 2HG LYS 49 -14.333 -3.983 -5.273 427 HG3 LYS 49 3HG LYS 49 -13.519 -5.169 -4.256 428 HD2 LYS 49 2HD LYS 49 -13.344 -6.695 -6.236 429 HD3 LYS 49 3HD LYS 49 -14.075 -5.434 -7.239 430 HE2 LYS 49 2HE LYS 49 -12.171 -3.921 -6.656 431 HE3 LYS 49 3HE LYS 49 -11.438 -5.229 -5.728 432 HZ1 LYS 49 3HZ LYS 49 -11.287 -6.520 -7.769 433 HZ2 LYS 49 1HZ LYS 49 -10.456 -5.052 -7.903 434 HZ3 LYS 49 2HZ LYS 49 -11.965 -5.242 -8.651 435 H LYS 50 H LYS 50 -16.542 -7.454 -2.266 436 HA LYS 50 HA LYS 50 -19.284 -7.889 -2.963 437 HB2 LYS 50 2HB LYS 50 -17.572 -9.706 -2.522 438 HB3 LYS 50 3HB LYS 50 -17.682 -9.320 -0.808 439 HG2 LYS 50 2HG LYS 50 -20.151 -9.860 -0.922 440 HG3 LYS 50 3HG LYS 50 -19.906 -10.387 -2.586 441 HD2 LYS 50 2HD LYS 50 -18.534 -11.612 -0.159 442 HD3 LYS 50 3HD LYS 50 -19.986 -12.256 -0.922 443 HE2 LYS 50 2HE LYS 50 -18.140 -13.552 -1.726 444 HE3 LYS 50 3HE LYS 50 -18.637 -12.511 -3.056 445 HZ1 LYS 50 3HZ LYS 50 -16.380 -11.915 -1.238 446 HZ2 LYS 50 1HZ LYS 50 -16.777 -11.112 -2.670 447 HZ3 LYS 50 2HZ LYS 50 -16.210 -12.700 -2.724 448 H LEU 51 H LEU 51 -17.649 -6.426 -0.229 449 HA LEU 51 HA LEU 51 -19.934 -6.247 1.513 450 HB2 LEU 51 2HB LEU 51 -17.429 -4.524 1.395 451 HB3 LEU 51 3HB LEU 51 -18.609 -4.494 2.700 452 HG LEU 51 HG LEU 51 -16.881 -6.897 1.970 453 HD11 LEU 51 1HD1 LEU 51 -16.592 -4.970 4.286 454 HD12 LEU 51 2HD1 LEU 51 -15.523 -5.092 2.886 455 HD13 LEU 51 3HD1 LEU 51 -15.638 -6.435 4.020 456 HD21 LEU 51 3HD2 LEU 51 -18.763 -6.490 4.324 457 HD22 LEU 51 1HD2 LEU 51 -17.685 -7.873 4.091 458 HD23 LEU 51 2HD2 LEU 51 -19.010 -7.593 2.968 459 H GLY 52 H GLY 52 -18.378 -4.033 -0.802 460 HA2 GLY 52 2HA GLY 52 -19.449 -2.789 -2.434 461 HA3 GLY 52 3HA GLY 52 -20.988 -3.043 -1.638 462 H CYS 53 H CYS 53 -18.426 -1.906 0.355 463 HA CYS 53 HA CYS 53 -19.601 0.576 1.023 464 HB2 CYS 53 2HB CYS 53 -17.273 1.006 2.021 465 HB3 CYS 53 3HB CYS 53 -18.084 -0.464 2.566 466 H LYS 54 H LYS 54 -19.642 2.451 -0.114 467 HA LYS 54 HA LYS 54 -18.551 2.741 -2.708 468 HB2 LYS 54 2HB LYS 54 -19.500 5.026 -0.918 469 HB3 LYS 54 3HB LYS 54 -19.389 5.037 -2.672 470 HG2 LYS 54 2HG LYS 54 -21.350 3.458 -0.983 471 HG3 LYS 54 3HG LYS 54 -21.699 4.877 -1.976 472 HD2 LYS 54 2HD LYS 54 -20.951 3.479 -3.996 473 HD3 LYS 54 3HD LYS 54 -20.952 2.081 -2.912 474 HE2 LYS 54 2HE LYS 54 -23.327 3.829 -3.650 475 HE3 LYS 54 3HE LYS 54 -23.067 2.145 -4.106 476 HZ1 LYS 54 3HZ LYS 54 -23.254 1.531 -1.766 477 HZ2 LYS 54 1HZ LYS 54 -24.647 2.332 -2.296 478 HZ3 LYS 54 2HZ LYS 54 -23.516 3.145 -1.338 479 H ARG 55 H ARG 55 -17.739 4.506 0.298 480 HA ARG 55 HA ARG 55 -15.055 5.136 -0.763 481 HB2 ARG 55 2HB ARG 55 -16.450 7.057 0.035 482 HB3 ARG 55 3HB ARG 55 -16.502 6.335 1.642 483 HG2 ARG 55 2HG ARG 55 -14.065 6.584 1.860 484 HG3 ARG 55 3HG ARG 55 -13.962 7.209 0.216 485 HD2 ARG 55 2HD ARG 55 -13.812 9.061 1.738 486 HD3 ARG 55 3HD ARG 55 -15.373 9.147 0.920 487 HE ARG 55 HE ARG 55 -16.053 7.856 3.152 488 HH11 ARG 55 1HH1 ARG 55 -14.088 10.755 2.750 489 HH12 ARG 55 2HH1 ARG 55 -14.543 11.413 4.289 490 HH21 ARG 55 1HH2 ARG 55 -16.642 8.747 5.155 491 HH22 ARG 55 2HH2 ARG 55 -15.990 10.273 5.651 492 H VAL 56 H VAL 56 -13.358 4.068 0.040 493 HA VAL 56 HA VAL 56 -13.591 2.600 2.610 494 HB VAL 56 HB VAL 56 -11.899 1.001 1.770 495 HG11 VAL 56 1HG1 VAL 56 -14.257 0.451 1.442 496 HG12 VAL 56 2HG1 VAL 56 -13.298 -0.168 0.100 497 HG13 VAL 56 3HG1 VAL 56 -14.267 1.292 -0.112 498 HG21 VAL 56 3HG2 VAL 56 -11.190 0.971 -0.602 499 HG22 VAL 56 1HG2 VAL 56 -10.670 2.459 0.193 500 HG23 VAL 56 2HG2 VAL 56 -12.063 2.479 -0.891 501 H ARG 57 H ARG 57 -11.960 2.832 4.089 502 HA ARG 57 HA ARG 57 -10.022 5.016 3.627 503 HB2 ARG 57 2HB ARG 57 -11.476 5.313 5.571 504 HB3 ARG 57 3HB ARG 57 -11.065 3.714 6.187 505 HG2 ARG 57 2HG ARG 57 -8.767 4.434 6.624 506 HG3 ARG 57 3HG ARG 57 -9.094 6.015 5.906 507 HD2 ARG 57 2HD ARG 57 -10.546 4.933 8.348 508 HD3 ARG 57 3HD ARG 57 -9.121 5.972 8.427 509 HE ARG 57 HE ARG 57 -10.625 7.520 6.960 510 HH11 ARG 57 1HH1 ARG 57 -11.692 5.660 9.745 511 HH12 ARG 57 2HH1 ARG 57 -12.953 6.777 10.151 512 HH21 ARG 57 1HH2 ARG 57 -12.255 8.971 7.514 513 HH22 ARG 57 2HH2 ARG 57 -13.276 8.661 8.885 514 H ILE 58 H ILE 58 -8.259 4.146 2.697 515 HA ILE 58 HA ILE 58 -7.111 1.618 3.711 516 HB ILE 58 HB ILE 58 -6.308 3.149 1.187 517 HG12 ILE 58 2HG1 ILE 58 -8.172 0.728 1.354 518 HG13 ILE 58 3HG1 ILE 58 -8.696 2.378 1.035 519 HG21 ILE 58 1HG2 ILE 58 -4.565 1.636 2.056 520 HG22 ILE 58 2HG2 ILE 58 -5.199 1.039 0.524 521 HG23 ILE 58 3HG2 ILE 58 -5.705 0.286 2.038 522 HD11 ILE 58 3HD1 ILE 58 -8.609 1.071 -1.008 523 HD12 ILE 58 1HD1 ILE 58 -6.901 0.716 -0.742 524 HD13 ILE 58 2HD1 ILE 58 -7.421 2.373 -1.064 525 H SER 59 H SER 59 -5.126 1.643 4.647 526 HA SER 59 HA SER 59 -3.427 4.027 4.593 527 HB2 SER 59 2HB SER 59 -4.800 4.218 6.688 528 HB3 SER 59 3HB SER 59 -4.217 2.634 7.202 529 HG SER 59 HG SER 59 -2.335 4.595 6.512 530 H ILE 60 H ILE 60 -1.780 3.151 3.560 531 HA ILE 60 HA ILE 60 -0.845 0.417 4.199 532 HB ILE 60 HB ILE 60 -0.286 2.198 1.778 533 HG12 ILE 60 2HG1 ILE 60 -1.952 -0.356 2.004 534 HG13 ILE 60 3HG1 ILE 60 -2.602 1.275 1.868 535 HG21 ILE 60 1HG2 ILE 60 0.866 0.248 0.783 536 HG22 ILE 60 2HG2 ILE 60 0.636 -0.666 2.275 537 HG23 ILE 60 3HG2 ILE 60 1.666 0.768 2.265 538 HD11 ILE 60 3HD1 ILE 60 -2.726 0.148 -0.242 539 HD12 ILE 60 1HD1 ILE 60 -0.995 -0.188 -0.217 540 HD13 ILE 60 2HD1 ILE 60 -1.573 1.475 -0.353 541 H ARG 61 H ARG 61 0.594 0.576 5.831 542 HA ARG 61 HA ARG 61 2.714 2.630 5.686 543 HB2 ARG 61 2HB ARG 61 1.456 2.319 7.875 544 HB3 ARG 61 3HB ARG 61 2.144 0.698 7.984 545 HG2 ARG 61 2HG ARG 61 4.428 1.691 7.969 546 HG3 ARG 61 3HG ARG 61 3.711 3.303 7.900 547 HD2 ARG 61 2HD ARG 61 2.543 2.720 10.100 548 HD3 ARG 61 3HD ARG 61 3.605 1.301 10.172 549 HE ARG 61 HE ARG 61 4.620 4.077 9.985 550 HH11 ARG 61 1HH1 ARG 61 4.796 0.904 11.489 551 HH12 ARG 61 2HH1 ARG 61 6.160 1.330 12.470 552 HH21 ARG 61 1HH2 ARG 61 6.397 4.595 11.266 553 HH22 ARG 61 2HH2 ARG 61 7.060 3.412 12.343 554 H VAL 62 H VAL 62 4.710 2.034 5.085 555 HA VAL 62 HA VAL 62 5.333 -0.804 4.621 556 HB VAL 62 HB VAL 62 5.692 1.033 2.837 557 HG11 VAL 62 1HG1 VAL 62 8.127 1.760 4.507 558 HG12 VAL 62 2HG1 VAL 62 6.704 2.778 4.271 559 HG13 VAL 62 3HG1 VAL 62 7.738 2.378 2.899 560 HG21 VAL 62 3HG2 VAL 62 8.080 -0.686 3.548 561 HG22 VAL 62 1HG2 VAL 62 7.756 0.023 1.968 562 HG23 VAL 62 2HG2 VAL 62 6.672 -1.205 2.624 563 H LYS 63 H LYS 63 7.013 -1.830 5.822 564 HA LYS 63 HA LYS 63 7.549 -0.550 8.384 565 HB2 LYS 63 2HB LYS 63 6.889 -2.996 8.163 566 HB3 LYS 63 3HB LYS 63 8.500 -3.312 7.531 567 HG2 LYS 63 2HG LYS 63 9.534 -2.685 9.619 568 HG3 LYS 63 3HG LYS 63 8.013 -2.040 10.249 569 HD2 LYS 63 2HD LYS 63 7.043 -4.307 10.280 570 HD3 LYS 63 3HD LYS 63 8.528 -4.970 9.591 571 HE2 LYS 63 2HE LYS 63 9.761 -4.259 11.629 572 HE3 LYS 63 3HE LYS 63 8.251 -3.647 12.312 573 HZ1 LYS 63 3HZ LYS 63 8.691 -6.470 11.508 574 HZ2 LYS 63 1HZ LYS 63 7.358 -5.839 12.339 575 HZ3 LYS 63 2HZ LYS 63 8.873 -5.892 13.091 576 H HIS 64 H HIS 64 9.520 0.007 9.186 577 HA HIS 64 HA HIS 64 11.521 0.711 7.137 578 HB2 HIS 64 2HB HIS 64 10.696 2.106 9.728 579 HB3 HIS 64 3HB HIS 64 11.986 2.658 8.667 580 HD1 HIS 64 HD1 HIS 64 8.296 2.653 9.046 581 HD2 HIS 64 HD2 HIS 64 11.093 3.722 6.162 582 HE1 HIS 64 HE1 HIS 64 7.048 4.057 7.382 583 HE2 HIS 64 HE2 HIS 64 8.813 4.868 5.783 584 H SER 65 H SER 65 13.567 0.022 7.402 585 HA SER 65 HA SER 65 14.056 -2.009 9.424 586 HB2 SER 65 2HB SER 65 14.583 -2.364 7.002 587 HB3 SER 65 3HB SER 65 15.818 -1.112 7.103 588 HG SER 65 HG SER 65 16.980 -2.407 8.505 589 H ASP 66 H ASP 66 15.570 1.057 8.414 590 HA ASP 66 HA ASP 66 17.317 0.996 10.811 591 HB2 ASP 66 2HB ASP 66 18.544 0.896 8.672 592 HB3 ASP 66 3HB ASP 66 17.740 2.356 8.105 593 H ALA 67 H ALA 67 17.047 4.005 9.061 594 HA ALA 67 HA ALA 67 14.911 5.340 10.193 595 HB1 ALA 67 3HB ALA 67 15.954 6.678 12.009 596 HB2 ALA 67 1HB ALA 67 17.439 5.733 11.849 597 HB3 ALA 67 2HB ALA 67 15.958 4.958 12.405 598 H ALA 68 H ALA 68 18.425 5.895 9.866 599 HA ALA 68 HA ALA 68 18.196 8.402 8.492 600 HB1 ALA 68 3HB ALA 68 20.577 6.534 8.775 601 HB2 ALA 68 1HB ALA 68 20.159 7.864 9.858 602 HB3 ALA 68 2HB ALA 68 20.644 8.203 8.197 603 H GLU 69 H GLU 69 18.964 5.071 7.502 604 HA GLU 69 HA GLU 69 19.159 5.469 4.722 605 HB2 GLU 69 2HB GLU 69 18.263 3.016 6.300 606 HB3 GLU 69 3HB GLU 69 18.571 3.002 4.562 607 HG2 GLU 69 2HG GLU 69 20.600 3.540 6.761 608 HG3 GLU 69 3HG GLU 69 20.485 2.093 5.757 609 H GLU 70 H GLU 70 16.396 5.058 6.862 610 HA GLU 70 HA GLU 70 14.463 4.477 4.834 611 HB2 GLU 70 2HB GLU 70 13.950 5.459 7.659 612 HB3 GLU 70 3HB GLU 70 12.810 4.612 6.610 613 HG2 GLU 70 2HG GLU 70 15.328 3.501 7.879 614 HG3 GLU 70 3HG GLU 70 13.668 3.070 8.262 615 H LYS 71 H LYS 71 15.707 7.464 6.207 616 HA LYS 71 HA LYS 71 13.696 9.259 5.326 617 HB2 LYS 71 2HB LYS 71 16.702 9.731 5.557 618 HB3 LYS 71 3HB LYS 71 15.490 10.998 5.407 619 HG2 LYS 71 2HG LYS 71 15.719 9.057 7.726 620 HG3 LYS 71 3HG LYS 71 16.324 10.709 7.724 621 HD2 LYS 71 2HD LYS 71 13.381 10.070 7.276 622 HD3 LYS 71 3HD LYS 71 14.063 10.259 8.890 623 HE2 LYS 71 2HE LYS 71 13.064 12.355 8.252 624 HE3 LYS 71 3HE LYS 71 14.811 12.565 8.250 625 HZ1 LYS 71 3HZ LYS 71 13.742 13.618 6.360 626 HZ2 LYS 71 1HZ LYS 71 13.133 12.127 5.841 627 HZ3 LYS 71 2HZ LYS 71 14.803 12.405 5.853 628 H LYS 72 H LYS 72 16.360 7.693 3.721 629 HA LYS 72 HA LYS 72 16.095 9.051 1.166 630 HB2 LYS 72 2HB LYS 72 18.299 8.391 1.967 631 HB3 LYS 72 3HB LYS 72 17.776 6.725 2.184 632 HG2 LYS 72 2HG LYS 72 17.517 6.553 -0.315 633 HG3 LYS 72 3HG LYS 72 18.207 8.174 -0.453 634 HD2 LYS 72 2HD LYS 72 19.883 6.359 -0.832 635 HD3 LYS 72 3HD LYS 72 20.317 7.417 0.514 636 HE2 LYS 72 2HE LYS 72 19.608 5.731 2.131 637 HE3 LYS 72 3HE LYS 72 18.934 4.725 0.850 638 HZ1 LYS 72 3HZ LYS 72 21.141 4.370 -0.004 639 HZ2 LYS 72 1HZ LYS 72 21.060 3.921 1.626 640 HZ3 LYS 72 2HZ LYS 72 21.798 5.373 1.187 641 H GLU 73 H GLU 73 15.315 5.860 2.561 642 HA GLU 73 HA GLU 73 14.697 4.686 -0.002 643 HB2 GLU 73 2HB GLU 73 14.576 3.545 2.807 644 HB3 GLU 73 3HB GLU 73 14.189 2.611 1.363 645 HG2 GLU 73 2HG GLU 73 16.879 3.844 2.052 646 HG3 GLU 73 3HG GLU 73 16.462 2.133 2.107 647 H ALA 74 H ALA 74 12.805 5.911 2.723 648 HA ALA 74 HA ALA 74 10.273 4.938 1.698 649 HB1 ALA 74 3HB ALA 74 10.559 5.296 4.119 650 HB2 ALA 74 1HB ALA 74 9.222 6.265 3.485 651 HB3 ALA 74 2HB ALA 74 10.776 7.024 3.847 652 H LYS 75 H LYS 75 12.127 7.935 1.532 653 HA LYS 75 HA LYS 75 10.379 9.489 -0.046 654 HB2 LYS 75 2HB LYS 75 12.331 10.515 0.946 655 HB3 LYS 75 3HB LYS 75 13.416 9.397 0.129 656 HG2 LYS 75 2HG LYS 75 12.906 10.439 -2.036 657 HG3 LYS 75 3HG LYS 75 11.749 11.529 -1.262 658 HD2 LYS 75 2HD LYS 75 13.523 12.629 -0.018 659 HD3 LYS 75 3HD LYS 75 14.709 11.437 -0.557 660 HE2 LYS 75 2HE LYS 75 13.253 13.351 -2.417 661 HE3 LYS 75 3HE LYS 75 14.864 13.638 -1.758 662 HZ1 LYS 75 3HZ LYS 75 14.049 11.432 -3.572 663 HZ2 LYS 75 1HZ LYS 75 15.563 11.536 -2.822 664 HZ3 LYS 75 2HZ LYS 75 15.082 12.723 -3.924 665 H LYS 76 H LYS 76 12.793 7.044 -0.925 666 HA LYS 76 HA LYS 76 12.457 7.097 -3.742 667 HB2 LYS 76 2HB LYS 76 14.428 6.090 -2.693 668 HB3 LYS 76 3HB LYS 76 13.427 4.914 -1.852 669 HG2 LYS 76 2HG LYS 76 12.792 3.940 -4.085 670 HG3 LYS 76 3HG LYS 76 13.937 5.051 -4.844 671 HD2 LYS 76 2HD LYS 76 14.658 2.952 -2.754 672 HD3 LYS 76 3HD LYS 76 14.862 2.755 -4.496 673 HE2 LYS 76 2HE LYS 76 16.477 4.611 -4.536 674 HE3 LYS 76 3HE LYS 76 16.237 4.874 -2.806 675 HZ1 LYS 76 3HZ LYS 76 18.228 3.596 -3.297 676 HZ2 LYS 76 1HZ LYS 76 17.290 2.372 -4.001 677 HZ3 LYS 76 2HZ LYS 76 17.127 2.722 -2.348 678 H PHE 77 H PHE 77 10.878 5.329 -1.126 679 HA PHE 77 HA PHE 77 9.420 3.514 -2.809 680 HB2 PHE 77 2HB PHE 77 10.250 3.044 -0.403 681 HB3 PHE 77 3HB PHE 77 8.894 4.022 0.147 682 HD1 PHE 77 HD1 PHE 77 9.756 1.002 -1.872 683 HD2 PHE 77 HD2 PHE 77 6.715 3.014 0.366 684 HE1 PHE 77 HE1 PHE 77 8.307 -0.967 -2.050 685 HE2 PHE 77 HE2 PHE 77 5.279 1.028 0.176 686 HZ PHE 77 HZ PHE 77 6.071 -0.960 -1.029 687 H ALA 78 H ALA 78 8.910 6.693 -1.560 688 HA ALA 78 HA ALA 78 6.136 6.988 -1.636 689 HB1 ALA 78 3HB ALA 78 7.657 8.736 -0.794 690 HB2 ALA 78 1HB ALA 78 6.557 9.390 -2.010 691 HB3 ALA 78 2HB ALA 78 8.236 9.037 -2.431 692 H ALA 79 H ALA 79 8.538 7.314 -4.243 693 HA ALA 79 HA ALA 79 6.803 7.878 -6.382 694 HB1 ALA 79 3HB ALA 79 9.491 6.454 -6.442 695 HB2 ALA 79 1HB ALA 79 9.239 8.202 -6.512 696 HB3 ALA 79 2HB ALA 79 8.675 7.176 -7.831 697 H ILE 80 H ILE 80 7.748 4.843 -4.876 698 HA ILE 80 HA ILE 80 6.803 3.039 -6.862 699 HB ILE 80 HB ILE 80 7.313 2.607 -3.883 700 HG12 ILE 80 2HG1 ILE 80 9.351 3.275 -5.054 701 HG13 ILE 80 3HG1 ILE 80 9.464 1.560 -4.674 702 HG21 ILE 80 1HG2 ILE 80 6.890 0.494 -6.025 703 HG22 ILE 80 2HG2 ILE 80 5.802 0.851 -4.688 704 HG23 ILE 80 3HG2 ILE 80 7.397 0.174 -4.366 705 HD11 ILE 80 3HD1 ILE 80 8.796 2.762 -7.358 706 HD12 ILE 80 1HD1 ILE 80 8.850 1.033 -6.999 707 HD13 ILE 80 2HD1 ILE 80 10.313 2.005 -6.881 708 H LEU 81 H LEU 81 5.354 4.262 -3.818 709 HA LEU 81 HA LEU 81 3.009 2.653 -3.969 710 HB2 LEU 81 2HB LEU 81 3.834 5.036 -2.298 711 HB3 LEU 81 3HB LEU 81 2.179 4.458 -2.228 712 HG LEU 81 HG LEU 81 4.610 2.748 -1.576 713 HD11 LEU 81 1HD1 LEU 81 3.967 2.949 0.773 714 HD12 LEU 81 2HD1 LEU 81 2.690 4.088 0.341 715 HD13 LEU 81 3HD1 LEU 81 4.383 4.516 0.085 716 HD21 LEU 81 3HD2 LEU 81 2.996 1.149 -0.651 717 HD22 LEU 81 1HD2 LEU 81 2.689 1.426 -2.363 718 HD23 LEU 81 2HD2 LEU 81 1.654 2.184 -1.150 719 H ASN 82 H ASN 82 3.687 6.074 -4.696 720 HA ASN 82 HA ASN 82 1.105 6.932 -5.389 721 HB2 ASN 82 2HB ASN 82 3.829 7.949 -6.300 722 HB3 ASN 82 3HB ASN 82 2.322 8.772 -6.690 723 HD21 ASN 82 1HD2 ASN 82 3.002 10.624 -5.563 724 HD22 ASN 82 2HD2 ASN 82 3.022 10.689 -3.837 725 H LYS 83 H LYS 83 3.662 5.536 -7.416 726 HA LYS 83 HA LYS 83 2.330 5.693 -9.909 727 HB2 LYS 83 2HB LYS 83 4.700 4.187 -8.850 728 HB3 LYS 83 3HB LYS 83 3.983 3.575 -10.333 729 HG2 LYS 83 2HG LYS 83 4.973 6.425 -9.955 730 HG3 LYS 83 3HG LYS 83 5.904 5.122 -10.701 731 HD2 LYS 83 2HD LYS 83 3.268 6.263 -11.733 732 HD3 LYS 83 3HD LYS 83 4.866 6.555 -12.423 733 HE2 LYS 83 2HE LYS 83 5.047 4.118 -12.942 734 HE3 LYS 83 3HE LYS 83 3.412 3.881 -12.320 735 HZ1 LYS 83 3HZ LYS 83 2.624 5.428 -14.020 736 HZ2 LYS 83 1HZ LYS 83 3.384 4.075 -14.691 737 HZ3 LYS 83 2HZ LYS 83 4.193 5.559 -14.633 738 H VAL 84 H VAL 84 2.387 3.154 -7.400 739 HA VAL 84 HA VAL 84 1.092 1.121 -8.926 740 HB VAL 84 HB VAL 84 1.520 1.523 -5.937 741 HG11 VAL 84 1HG1 VAL 84 0.091 -0.848 -7.206 742 HG12 VAL 84 2HG1 VAL 84 -0.607 0.305 -6.071 743 HG13 VAL 84 3HG1 VAL 84 0.662 -0.794 -5.536 744 HG21 VAL 84 3HG2 VAL 84 2.637 -0.514 -7.907 745 HG22 VAL 84 1HG2 VAL 84 3.047 -0.415 -6.191 746 HG23 VAL 84 2HG2 VAL 84 3.491 0.898 -7.282 747 H PHE 85 H PHE 85 -0.064 3.518 -6.607 748 HA PHE 85 HA PHE 85 -2.799 2.878 -6.596 749 HB2 PHE 85 2HB PHE 85 -1.511 5.612 -6.151 750 HB3 PHE 85 3HB PHE 85 -3.153 5.170 -5.689 751 HD1 PHE 85 HD1 PHE 85 -2.532 2.357 -4.620 752 HD2 PHE 85 HD2 PHE 85 -0.639 6.146 -3.974 753 HE1 PHE 85 HE1 PHE 85 -1.699 1.582 -2.455 754 HE2 PHE 85 HE2 PHE 85 0.192 5.351 -1.808 755 HZ PHE 85 HZ PHE 85 -0.332 3.069 -1.046 756 H ALA 86 H ALA 86 -0.909 5.075 -8.658 757 HA ALA 86 HA ALA 86 -3.013 6.131 -10.227 758 HB1 ALA 86 3HB ALA 86 -0.095 5.739 -10.979 759 HB2 ALA 86 1HB ALA 86 -0.766 7.141 -10.139 760 HB3 ALA 86 2HB ALA 86 -1.241 6.800 -11.803 761 H GLU 87 H GLU 87 -1.179 3.142 -10.427 762 HA GLU 87 HA GLU 87 -2.083 2.394 -13.095 763 HB2 GLU 87 2HB GLU 87 -0.417 0.917 -11.007 764 HB3 GLU 87 3HB GLU 87 -0.793 0.253 -12.596 765 HG2 GLU 87 2HG GLU 87 0.461 2.025 -13.693 766 HG3 GLU 87 3HG GLU 87 0.707 2.853 -12.158 767 H LEU 88 H LEU 88 -3.456 2.337 -10.038 768 HA LEU 88 HA LEU 88 -5.214 0.018 -10.611 769 HB2 LEU 88 2HB LEU 88 -4.699 1.420 -7.959 770 HB3 LEU 88 3HB LEU 88 -5.821 0.088 -8.201 771 HG LEU 88 HG LEU 88 -2.796 -0.062 -8.483 772 HD11 LEU 88 1HD1 LEU 88 -4.595 -1.222 -6.348 773 HD12 LEU 88 2HD1 LEU 88 -3.487 0.142 -6.163 774 HD13 LEU 88 3HD1 LEU 88 -2.850 -1.468 -6.491 775 HD21 LEU 88 3HD2 LEU 88 -3.081 -2.492 -8.754 776 HD22 LEU 88 1HD2 LEU 88 -3.837 -1.600 -10.070 777 HD23 LEU 88 2HD2 LEU 88 -4.835 -2.293 -8.787 778 H GLY 89 H GLY 89 -5.033 3.409 -10.650 779 HA2 GLY 89 2HA GLY 89 -6.795 4.590 -11.805 780 HA3 GLY 89 3HA GLY 89 -7.987 3.623 -10.958 781 H TYR 90 H TYR 90 -5.822 4.327 -8.632 782 HA TYR 90 HA TYR 90 -7.419 6.440 -7.455 783 HB2 TYR 90 2HB TYR 90 -4.802 5.330 -6.360 784 HB3 TYR 90 3HB TYR 90 -6.082 6.135 -5.460 785 HD1 TYR 90 HD2 TYR 90 -8.509 4.705 -6.281 786 HD2 TYR 90 HD1 TYR 90 -4.614 3.134 -5.495 787 HE1 TYR 90 HE2 TYR 90 -9.496 2.521 -5.768 788 HE2 TYR 90 HE1 TYR 90 -5.600 0.945 -4.980 789 HH TYR 90 HH TYR 90 -7.781 0.019 -4.268 790 H ASN 91 H ASN 91 -6.801 8.577 -7.164 791 HA ASN 91 HA ASN 91 -4.661 9.580 -8.926 792 HB2 ASN 91 2HB ASN 91 -6.966 11.075 -7.595 793 HB3 ASN 91 3HB ASN 91 -5.810 11.774 -8.728 794 HD21 ASN 91 1HD2 ASN 91 -8.490 9.563 -8.372 795 HD22 ASN 91 2HD2 ASN 91 -8.913 9.510 -10.044 796 H ASP 92 H ASP 92 -3.573 11.587 -8.219 797 HA ASP 92 HA ASP 92 -1.915 11.317 -6.012 798 HB2 ASP 92 2HB ASP 92 -2.738 13.895 -7.437 799 HB3 ASP 92 3HB ASP 92 -1.339 13.732 -6.376 800 H SER 93 H SER 93 -4.885 13.200 -6.385 801 HA SER 93 HA SER 93 -4.827 14.776 -4.102 802 HB2 SER 93 2HB SER 93 -7.261 13.748 -5.615 803 HB3 SER 93 3HB SER 93 -7.221 15.166 -4.560 804 HG SER 93 HG SER 93 -5.566 15.991 -6.002 805 H ASN 94 H ASN 94 -6.378 11.566 -4.503 806 HA ASN 94 HA ASN 94 -7.417 11.583 -1.779 807 HB2 ASN 94 2HB ASN 94 -8.408 9.392 -2.353 808 HB3 ASN 94 3HB ASN 94 -8.809 10.625 -3.538 809 HD21 ASN 94 1HD2 ASN 94 -7.088 7.657 -2.967 810 HD22 ASN 94 2HD2 ASN 94 -6.701 7.328 -4.615 811 H VAL 95 H VAL 95 -4.480 10.669 -3.253 812 HA VAL 95 HA VAL 95 -3.679 8.799 -1.140 813 HB VAL 95 HB VAL 95 -2.106 9.989 -3.481 814 HG11 VAL 95 1HG1 VAL 95 -0.578 9.422 -1.619 815 HG12 VAL 95 2HG1 VAL 95 -0.342 8.316 -2.973 816 HG13 VAL 95 3HG1 VAL 95 -1.247 7.790 -1.551 817 HG21 VAL 95 3HG2 VAL 95 -2.294 7.739 -4.498 818 HG22 VAL 95 1HG2 VAL 95 -3.891 8.428 -4.200 819 HG23 VAL 95 2HG2 VAL 95 -3.252 7.186 -3.123 820 H THR 96 H THR 96 -3.443 9.831 0.786 821 HA THR 96 HA THR 96 -2.285 12.557 0.908 822 HB THR 96 HB THR 96 -4.023 11.165 2.993 823 HG1 THR 96 HG1 THR 96 -5.374 11.495 1.323 824 HG21 THR 96 3HG2 THR 96 -4.314 13.455 3.914 825 HG22 THR 96 1HG2 THR 96 -3.235 14.096 2.670 826 HG23 THR 96 2HG2 THR 96 -2.610 13.005 3.906 827 H TRP 97 H TRP 97 -0.132 12.296 1.260 828 HA TRP 97 HA TRP 97 0.964 10.220 2.953 829 HB2 TRP 97 2HB TRP 97 2.155 12.449 1.283 830 HB3 TRP 97 3HB TRP 97 3.163 11.627 2.474 831 HD1 TRP 97 HD1 TRP 97 1.212 10.888 -0.788 832 HE1 TRP 97 HE1 TRP 97 2.149 8.711 -1.772 833 HE3 TRP 97 HE3 TRP 97 4.395 9.569 3.004 834 HZ2 TRP 97 HZ2 TRP 97 3.999 6.710 -1.061 835 HZ3 TRP 97 HZ3 TRP 97 5.722 7.502 2.772 836 HH2 TRP 97 HH2 TRP 97 5.524 6.101 0.775 837 H ASP 98 H ASP 98 2.032 10.464 4.848 838 HA ASP 98 HA ASP 98 2.334 13.080 6.114 839 HB2 ASP 98 2HB ASP 98 0.157 12.063 6.964 840 HB3 ASP 98 3HB ASP 98 1.084 10.692 7.562 841 H GLY 99 H GLY 99 4.383 12.406 5.104 842 HA2 GLY 99 2HA GLY 99 6.554 11.738 5.140 843 HA3 GLY 99 3HA GLY 99 6.408 11.811 6.884 844 H ASP 100 H ASP 100 5.665 9.919 7.960 845 HA ASP 100 HA ASP 100 7.201 7.619 7.280 846 HB2 ASP 100 2HB ASP 100 7.132 8.384 9.557 847 HB3 ASP 100 3HB ASP 100 5.374 8.402 9.587 848 H THR 101 H THR 101 3.721 8.330 7.296 849 HA THR 101 HA THR 101 3.097 5.653 6.158 850 HB THR 101 HB THR 101 1.461 7.083 8.309 851 HG1 THR 101 HG1 THR 101 3.481 6.126 9.027 852 HG21 THR 101 3HG2 THR 101 0.134 4.995 8.430 853 HG22 THR 101 1HG2 THR 101 1.082 4.305 7.110 854 HG23 THR 101 2HG2 THR 101 0.035 5.694 6.814 855 H VAL 102 H VAL 102 1.318 5.615 4.698 856 HA VAL 102 HA VAL 102 0.238 8.243 3.847 857 HB VAL 102 HB VAL 102 1.713 7.337 2.096 858 HG11 VAL 102 1HG1 VAL 102 -0.096 4.893 2.002 859 HG12 VAL 102 2HG1 VAL 102 1.575 4.932 2.572 860 HG13 VAL 102 3HG1 VAL 102 1.216 5.255 0.875 861 HG21 VAL 102 3HG2 VAL 102 -1.215 7.181 1.277 862 HG22 VAL 102 1HG2 VAL 102 0.151 7.448 0.191 863 HG23 VAL 102 2HG2 VAL 102 -0.255 8.656 1.410 864 H THR 103 H THR 103 -1.885 8.446 3.682 865 HA THR 103 HA THR 103 -3.708 6.177 4.200 866 HB THR 103 HB THR 103 -4.156 9.146 4.749 867 HG1 THR 103 HG1 THR 103 -2.599 8.206 6.150 868 HG21 THR 103 3HG2 THR 103 -6.159 8.405 6.003 869 HG22 THR 103 1HG2 THR 103 -5.829 6.724 5.560 870 HG23 THR 103 2HG2 THR 103 -6.278 7.895 4.320 871 H VAL 104 H VAL 104 -4.515 5.540 2.276 872 HA VAL 104 HA VAL 104 -5.115 7.487 0.143 873 HB VAL 104 HB VAL 104 -4.980 4.438 -0.004 874 HG11 VAL 104 1HG1 VAL 104 -5.236 6.497 -2.246 875 HG12 VAL 104 2HG1 VAL 104 -6.487 5.367 -1.727 876 HG13 VAL 104 3HG1 VAL 104 -5.014 4.759 -2.479 877 HG21 VAL 104 3HG2 VAL 104 -2.764 5.403 0.463 878 HG22 VAL 104 1HG2 VAL 104 -2.941 6.516 -0.897 879 HG23 VAL 104 2HG2 VAL 104 -2.824 4.780 -1.186 880 H GLU 105 H GLU 105 -7.190 8.155 0.086 881 HA GLU 105 HA GLU 105 -9.383 6.534 1.095 882 HB2 GLU 105 2HB GLU 105 -9.484 8.894 1.608 883 HB3 GLU 105 3HB GLU 105 -9.154 9.349 -0.050 884 HG2 GLU 105 2HG GLU 105 -11.659 7.783 0.372 885 HG3 GLU 105 3HG GLU 105 -11.636 9.391 1.097 886 H GLY 106 H GLY 106 -10.158 4.974 -0.201 887 HA2 GLY 106 2HA GLY 106 -9.784 5.130 -3.141 888 HA3 GLY 106 3HA GLY 106 -9.966 3.657 -2.188 889 H GLN 107 H GLN 107 -11.482 3.955 -4.389 890 HA GLN 107 HA GLN 107 -14.206 4.317 -3.362 891 HB2 GLN 107 2HB GLN 107 -14.896 5.554 -5.398 892 HB3 GLN 107 3HB GLN 107 -13.733 6.454 -4.445 893 HG2 GLN 107 2HG GLN 107 -13.112 4.959 -7.022 894 HG3 GLN 107 3HG GLN 107 -13.372 6.696 -6.884 895 HE21 GLN 107 1HE2 GLN 107 -11.760 7.959 -5.798 896 HE22 GLN 107 2HE2 GLN 107 -10.141 7.386 -5.639 897 H LEU 108 H LEU 108 -15.519 2.714 -3.932 898 HA LEU 108 HA LEU 108 -14.545 0.455 -5.414 899 HB2 LEU 108 2HB LEU 108 -16.439 0.804 -3.368 900 HB3 LEU 108 3HB LEU 108 -17.454 0.456 -4.749 901 HG LEU 108 HG LEU 108 -17.026 -1.611 -3.577 902 HD11 LEU 108 1HD1 LEU 108 -16.061 -2.999 -5.325 903 HD12 LEU 108 2HD1 LEU 108 -15.342 -1.587 -6.098 904 HD13 LEU 108 3HD1 LEU 108 -17.098 -1.762 -6.031 905 HD21 LEU 108 3HD2 LEU 108 -14.986 -0.938 -2.378 906 HD22 LEU 108 1HD2 LEU 108 -14.057 -1.042 -3.877 907 HD23 LEU 108 2HD2 LEU 108 -14.775 -2.495 -3.175 908 H GLU 109 H GLU 109 -14.819 0.064 -7.504 909 HA GLU 109 HA GLU 109 -14.923 0.625 -9.677 910 HB2 GLU 109 2HB GLU 109 -17.008 0.158 -10.753 911 HB3 GLU 109 3HB GLU 109 -16.865 -0.890 -9.352 912 HG2 GLU 109 2HG GLU 109 -18.462 1.659 -9.113 913 HG3 GLU 109 3HG GLU 109 -19.173 0.295 -9.966 914 H GLY 110 H GLY 110 -14.992 3.102 -7.866 915 HA2 GLY 110 2HA GLY 110 -15.967 5.180 -9.608 916 HA3 GLY 110 3HA GLY 110 -14.797 5.358 -8.297 917 H VAL 111 H VAL 111 -13.001 3.381 -9.067 918 HA VAL 111 HA VAL 111 -11.481 4.295 -11.300 919 HB VAL 111 HB VAL 111 -10.118 2.258 -10.914 920 HG11 VAL 111 1HG1 VAL 111 -10.957 3.555 -8.282 921 HG12 VAL 111 2HG1 VAL 111 -9.759 4.190 -9.412 922 HG13 VAL 111 3HG1 VAL 111 -9.451 2.675 -8.567 923 HG21 VAL 111 3HG2 VAL 111 -11.918 0.617 -10.499 924 HG22 VAL 111 1HG2 VAL 111 -12.298 1.394 -8.958 925 HG23 VAL 111 2HG2 VAL 111 -10.745 0.585 -9.184 926 H ASP 112 H ASP 112 -10.876 1.882 -12.703 927 HA ASP 112 HA ASP 112 -12.636 1.922 -14.830 928 HB2 ASP 112 2HB ASP 112 -10.348 0.987 -14.954 929 HB3 ASP 112 3HB ASP 112 -10.834 -0.385 -13.964 930 H LEU 113 H LEU 113 -14.683 1.274 -15.042 931 HA LEU 113 HA LEU 113 -16.157 -0.304 -13.217 932 HB2 LEU 113 2HB LEU 113 -16.786 0.415 -16.114 933 HB3 LEU 113 3HB LEU 113 -17.940 -0.275 -14.983 934 HG LEU 113 HG LEU 113 -16.619 2.453 -14.631 935 HD11 LEU 113 1HD1 LEU 113 -19.427 1.832 -15.598 936 HD12 LEU 113 2HD1 LEU 113 -18.103 2.448 -16.588 937 HD13 LEU 113 3HD1 LEU 113 -18.757 3.438 -15.288 938 HD21 LEU 113 3HD2 LEU 113 -18.923 1.179 -13.105 939 HD22 LEU 113 1HD2 LEU 113 -18.307 2.819 -12.874 940 HD23 LEU 113 2HD2 LEU 113 -17.288 1.436 -12.490 941 H GLU 114 H GLU 114 -15.449 -2.313 -12.877 942 HA GLU 114 HA GLU 114 -14.075 -3.924 -14.747 943 HB2 GLU 114 2HB GLU 114 -15.301 -4.739 -12.075 944 HB3 GLU 114 3HB GLU 114 -14.075 -5.638 -12.972 945 HG2 GLU 114 2HG GLU 114 -12.490 -3.772 -12.690 946 HG3 GLU 114 3HG GLU 114 -13.701 -2.857 -11.799 947 H HIS 115 H HIS 115 -14.830 -5.287 -16.241 948 HA HIS 115 HA HIS 115 -17.600 -5.745 -16.723 949 HB2 HIS 115 2HB HIS 115 -15.133 -7.062 -17.942 950 HB3 HIS 115 3HB HIS 115 -16.775 -7.309 -18.530 951 HD1 HIS 115 HD1 HIS 115 -13.904 -5.099 -18.897 952 HD2 HIS 115 HD2 HIS 115 -18.005 -4.820 -19.489 953 HE1 HIS 115 HE1 HIS 115 -14.244 -3.084 -20.349 954 HE2 HIS 115 HE2 HIS 115 -16.724 -2.976 -20.752 955 H HIS 116 H HIS 116 -15.112 -7.512 -15.004 956 HA HIS 116 HA HIS 116 -16.522 -9.859 -14.327 957 HB2 HIS 116 2HB HIS 116 -14.110 -9.460 -13.781 958 HB3 HIS 116 3HB HIS 116 -14.574 -8.228 -12.615 959 HD1 HIS 116 HD1 HIS 116 -14.418 -11.935 -13.099 960 HD2 HIS 116 HD2 HIS 116 -15.574 -9.245 -10.152 961 HE1 HIS 116 HE1 HIS 116 -14.607 -13.280 -10.991 962 HE2 HIS 116 HE2 HIS 116 -15.352 -11.640 -9.234 963 H HIS 117 H HIS 117 -18.572 -9.773 -13.634 964 HA HIS 117 HA HIS 117 -19.805 -7.432 -12.618 965 HB2 HIS 117 2HB HIS 117 -20.758 -10.242 -13.194 966 HB3 HIS 117 3HB HIS 117 -21.804 -9.145 -12.297 967 HD1 HIS 117 HD1 HIS 117 -19.880 -9.115 -15.604 968 HD2 HIS 117 HD2 HIS 117 -23.374 -7.634 -13.913 969 HE1 HIS 117 HE1 HIS 117 -21.067 -7.902 -17.451 970 HE2 HIS 117 HE2 HIS 117 -23.269 -7.217 -16.458 971 H HIS 118 H HIS 118 -18.697 -6.926 -10.770 972 HA HIS 118 HA HIS 118 -19.462 -8.401 -8.328 973 HB2 HIS 118 2HB HIS 118 -17.906 -6.955 -7.144 974 HB3 HIS 118 3HB HIS 118 -17.084 -7.598 -8.550 975 HD1 HIS 118 HD1 HIS 118 -16.738 -5.851 -10.584 976 HD2 HIS 118 HD2 HIS 118 -17.910 -4.218 -6.945 977 HE1 HIS 118 HE1 HIS 118 -16.237 -3.392 -10.741 978 HE2 HIS 118 HE2 HIS 118 -17.165 -2.417 -8.620 979 H HIS 119 H HIS 119 -19.801 -6.062 -6.650 980 HA HIS 119 HA HIS 119 -22.544 -5.526 -7.150 981 HB2 HIS 119 2HB HIS 119 -22.573 -4.611 -5.016 982 HB3 HIS 119 3HB HIS 119 -21.009 -5.402 -4.881 983 HD1 HIS 119 HD1 HIS 119 -22.633 -2.118 -4.772 984 HD2 HIS 119 HD2 HIS 119 -18.763 -3.528 -5.232 985 HE1 HIS 119 HE1 HIS 119 -21.159 -0.124 -4.458 986 HE2 HIS 119 HE2 HIS 119 -18.876 -0.957 -5.084 987 H HIS 120 H HIS 120 -23.570 -3.508 -7.601 988 HA HIS 120 HA HIS 120 -22.334 -1.034 -7.586 989 HB2 HIS 120 2HB HIS 120 -22.466 -0.253 -9.913 990 HB3 HIS 120 3HB HIS 120 -21.359 -1.609 -9.795 991 HD1 HIS 120 HD1 HIS 120 -23.791 -0.348 -11.992 992 HD2 HIS 120 HD2 HIS 120 -22.980 -4.148 -10.530 993 HE1 HIS 120 HE1 HIS 120 -24.853 -1.939 -13.615 994 HE2 HIS 120 HE2 HIS 120 -24.432 -4.219 -12.654 Start of MODEL 5 1 H1 MET 1 1H MET 1 17.398 -0.530 -2.262 2 H2 MET 1 2H MET 1 15.929 -1.303 -1.961 3 H3 MET 1 3H MET 1 16.081 -0.283 -3.296 4 HA MET 1 HA MET 1 16.115 -2.626 -3.908 5 HB2 MET 1 2HB MET 1 18.139 -2.502 -5.333 6 HB3 MET 1 3HB MET 1 17.236 -0.996 -5.342 7 HG2 MET 1 2HG MET 1 18.860 0.045 -3.856 8 HG3 MET 1 3HG MET 1 19.738 -1.482 -3.706 9 HE1 MET 1 3HE MET 1 22.011 -0.189 -4.411 10 HE2 MET 1 1HE MET 1 21.119 1.321 -4.596 11 HE3 MET 1 2HE MET 1 22.161 0.746 -5.898 12 H SER 2 H SER 2 18.515 -4.039 -4.289 13 HA SER 2 HA SER 2 19.674 -5.765 -3.452 14 HB2 SER 2 2HB SER 2 19.717 -4.209 -0.822 15 HB3 SER 2 3HB SER 2 20.684 -5.644 -1.172 16 HG SER 2 HG SER 2 21.087 -3.971 -3.162 17 H GLY 3 H GLY 3 19.563 -7.609 -1.806 18 HA2 GLY 3 2HA GLY 3 16.899 -8.607 -1.691 19 HA3 GLY 3 3HA GLY 3 18.324 -9.358 -0.988 20 H LYS 4 H LYS 4 15.784 -6.973 -0.461 21 HA LYS 4 HA LYS 4 16.258 -7.077 2.464 22 HB2 LYS 4 2HB LYS 4 17.003 -4.899 1.502 23 HB3 LYS 4 3HB LYS 4 15.397 -4.639 0.837 24 HG2 LYS 4 2HG LYS 4 15.806 -3.333 2.912 25 HG3 LYS 4 3HG LYS 4 14.439 -4.435 3.060 26 HD2 LYS 4 2HD LYS 4 15.864 -4.358 5.108 27 HD3 LYS 4 3HD LYS 4 15.746 -5.977 4.415 28 HE2 LYS 4 2HE LYS 4 18.049 -5.463 5.161 29 HE3 LYS 4 3HE LYS 4 17.985 -5.733 3.420 30 HZ1 LYS 4 3HZ LYS 4 19.351 -3.859 3.838 31 HZ2 LYS 4 1HZ LYS 4 18.191 -3.140 4.833 32 HZ3 LYS 4 2HZ LYS 4 17.913 -3.271 3.174 33 H LYS 5 H LYS 5 14.597 -7.734 3.603 34 HA LYS 5 HA LYS 5 11.953 -8.108 2.445 35 HB2 LYS 5 2HB LYS 5 13.048 -9.826 3.958 36 HB3 LYS 5 3HB LYS 5 12.911 -8.681 5.290 37 HG2 LYS 5 2HG LYS 5 10.326 -8.686 4.655 38 HG3 LYS 5 3HG LYS 5 10.728 -10.204 3.854 39 HD2 LYS 5 2HD LYS 5 9.885 -10.674 6.091 40 HD3 LYS 5 3HD LYS 5 11.602 -11.086 6.041 41 HE2 LYS 5 2HE LYS 5 12.176 -9.021 7.192 42 HE3 LYS 5 3HE LYS 5 10.506 -8.457 7.099 43 HZ1 LYS 5 3HZ LYS 5 11.525 -10.743 8.696 44 HZ2 LYS 5 1HZ LYS 5 9.887 -10.394 8.481 45 HZ3 LYS 5 2HZ LYS 5 10.884 -9.288 9.268 46 H VAL 6 H VAL 6 10.744 -6.327 2.349 47 HA VAL 6 HA VAL 6 10.573 -4.440 4.619 48 HB VAL 6 HB VAL 6 10.777 -3.168 2.602 49 HG11 VAL 6 1HG1 VAL 6 9.462 -3.551 0.544 50 HG12 VAL 6 2HG1 VAL 6 8.681 -4.948 1.293 51 HG13 VAL 6 3HG1 VAL 6 10.414 -4.978 0.968 52 HG21 VAL 6 3HG2 VAL 6 7.793 -3.348 3.140 53 HG22 VAL 6 1HG2 VAL 6 8.617 -2.031 2.297 54 HG23 VAL 6 2HG2 VAL 6 8.950 -2.333 4.002 55 H GLU 7 H GLU 7 8.652 -4.225 5.751 56 HA GLU 7 HA GLU 7 6.522 -6.209 5.184 57 HB2 GLU 7 2HB GLU 7 7.422 -5.091 7.866 58 HB3 GLU 7 3HB GLU 7 6.015 -6.112 7.623 59 HG2 GLU 7 2HG GLU 7 7.494 -7.917 6.751 60 HG3 GLU 7 3HG GLU 7 8.885 -6.890 7.096 61 H VAL 8 H VAL 8 4.684 -5.391 4.590 62 HA VAL 8 HA VAL 8 4.226 -2.465 4.708 63 HB VAL 8 HB VAL 8 3.167 -4.536 2.707 64 HG11 VAL 8 1HG1 VAL 8 2.421 -2.598 1.365 65 HG12 VAL 8 2HG1 VAL 8 2.919 -1.500 2.655 66 HG13 VAL 8 3HG1 VAL 8 1.612 -2.653 2.932 67 HG21 VAL 8 3HG2 VAL 8 5.398 -2.487 2.374 68 HG22 VAL 8 1HG2 VAL 8 4.751 -3.520 1.095 69 HG23 VAL 8 2HG2 VAL 8 5.589 -4.240 2.469 70 H GLN 9 H GLN 9 2.637 -1.871 6.100 71 HA GLN 9 HA GLN 9 0.641 -3.815 7.025 72 HB2 GLN 9 2HB GLN 9 1.916 -2.496 8.735 73 HB3 GLN 9 3HB GLN 9 1.304 -0.998 8.034 74 HG2 GLN 9 2HG GLN 9 -1.036 -1.856 8.545 75 HG3 GLN 9 3HG GLN 9 -0.284 -3.151 9.469 76 HE21 GLN 9 1HE2 GLN 9 -2.114 -1.171 10.410 77 HE22 GLN 9 2HE2 GLN 9 -1.307 -0.261 11.637 78 H VAL 10 H VAL 10 -0.967 -3.879 5.507 79 HA VAL 10 HA VAL 10 -2.018 -1.385 4.328 80 HB VAL 10 HB VAL 10 -2.642 -4.306 3.649 81 HG11 VAL 10 1HG1 VAL 10 -3.509 -1.769 2.198 82 HG12 VAL 10 2HG1 VAL 10 -4.551 -2.846 3.131 83 HG13 VAL 10 3HG1 VAL 10 -3.794 -3.424 1.648 84 HG21 VAL 10 3HG2 VAL 10 -1.304 -3.924 1.596 85 HG22 VAL 10 1HG2 VAL 10 -0.332 -3.720 3.055 86 HG23 VAL 10 2HG2 VAL 10 -0.888 -2.304 2.161 87 H LYS 11 H LYS 11 -3.385 -0.447 5.743 88 HA LYS 11 HA LYS 11 -5.299 -2.066 7.326 89 HB2 LYS 11 2HB LYS 11 -3.773 -0.616 8.627 90 HB3 LYS 11 3HB LYS 11 -4.231 0.785 7.667 91 HG2 LYS 11 2HG LYS 11 -6.612 0.458 8.576 92 HG3 LYS 11 3HG LYS 11 -5.921 -0.702 9.711 93 HD2 LYS 11 2HD LYS 11 -5.129 2.229 9.470 94 HD3 LYS 11 3HD LYS 11 -6.185 1.557 10.712 95 HE2 LYS 11 2HE LYS 11 -3.295 0.707 10.325 96 HE3 LYS 11 3HE LYS 11 -3.812 1.966 11.445 97 HZ1 LYS 11 3HZ LYS 11 -4.864 -0.800 11.545 98 HZ2 LYS 11 1HZ LYS 11 -5.022 0.407 12.712 99 HZ3 LYS 11 2HZ LYS 11 -3.517 -0.306 12.427 100 H ILE 12 H ILE 12 -7.131 -2.276 6.012 101 HA ILE 12 HA ILE 12 -8.188 0.206 4.754 102 HB ILE 12 HB ILE 12 -7.683 -1.404 3.017 103 HG12 ILE 12 2HG1 ILE 12 -10.700 -1.314 3.490 104 HG13 ILE 12 3HG1 ILE 12 -9.741 -0.043 2.741 105 HG21 ILE 12 1HG2 ILE 12 -9.445 -3.435 4.417 106 HG22 ILE 12 2HG2 ILE 12 -7.685 -3.495 4.295 107 HG23 ILE 12 3HG2 ILE 12 -8.671 -3.644 2.840 108 HD11 ILE 12 3HD1 ILE 12 -10.190 -2.808 1.624 109 HD12 ILE 12 1HD1 ILE 12 -9.214 -1.537 0.882 110 HD13 ILE 12 2HD1 ILE 12 -10.949 -1.311 1.085 111 H THR 13 H THR 13 -9.954 1.014 5.601 112 HA THR 13 HA THR 13 -11.591 -0.534 7.497 113 HB THR 13 HB THR 13 -11.677 2.477 6.953 114 HG1 THR 13 HG1 THR 13 -9.875 0.920 8.402 115 HG21 THR 13 3HG2 THR 13 -12.674 2.606 9.207 116 HG22 THR 13 1HG2 THR 13 -12.569 0.852 9.376 117 HG23 THR 13 2HG2 THR 13 -13.650 1.562 8.177 118 H CYS 14 H CYS 14 -13.303 -1.517 6.630 119 HA CYS 14 HA CYS 14 -15.242 -0.172 4.923 120 HB2 CYS 14 2HB CYS 14 -13.823 -1.096 3.180 121 HB3 CYS 14 3HB CYS 14 -13.720 -2.647 4.003 122 H ASN 15 H ASN 15 -17.314 -1.230 5.029 123 HA ASN 15 HA ASN 15 -19.036 -2.484 5.872 124 HB2 ASN 15 2HB ASN 15 -17.655 -4.445 5.116 125 HB3 ASN 15 3HB ASN 15 -16.877 -4.496 6.689 126 HD21 ASN 15 1HD2 ASN 15 -17.535 -6.548 7.246 127 HD22 ASN 15 2HD2 ASN 15 -19.185 -6.995 7.503 128 H GLY 16 H GLY 16 -17.241 -0.619 7.580 129 HA2 GLY 16 2HA GLY 16 -17.296 0.234 9.731 130 HA3 GLY 16 3HA GLY 16 -18.476 -0.999 10.161 131 H LYS 17 H LYS 17 -15.850 -2.431 8.696 132 HA LYS 17 HA LYS 17 -14.559 -3.152 11.249 133 HB2 LYS 17 2HB LYS 17 -14.930 -4.795 8.697 134 HB3 LYS 17 3HB LYS 17 -13.955 -5.314 10.062 135 HG2 LYS 17 2HG LYS 17 -16.871 -4.681 10.513 136 HG3 LYS 17 3HG LYS 17 -16.429 -6.189 9.725 137 HD2 LYS 17 2HD LYS 17 -16.762 -6.570 12.108 138 HD3 LYS 17 3HD LYS 17 -15.070 -6.833 11.692 139 HE2 LYS 17 2HE LYS 17 -14.488 -4.637 12.634 140 HE3 LYS 17 3HE LYS 17 -16.188 -4.325 12.990 141 HZ1 LYS 17 3HZ LYS 17 -16.192 -6.104 14.568 142 HZ2 LYS 17 1HZ LYS 17 -14.894 -5.086 14.931 143 HZ3 LYS 17 2HZ LYS 17 -14.622 -6.564 14.157 144 H THR 18 H THR 18 -12.244 -3.753 10.995 145 HA THR 18 HA THR 18 -10.887 -2.321 8.778 146 HB THR 18 HB THR 18 -9.829 -2.739 11.621 147 HG1 THR 18 HG1 THR 18 -11.635 -1.144 11.166 148 HG21 THR 18 3HG2 THR 18 -8.713 -1.072 9.322 149 HG22 THR 18 1HG2 THR 18 -8.022 -2.588 9.911 150 HG23 THR 18 2HG2 THR 18 -8.049 -1.167 10.955 151 H TYR 19 H TYR 19 -9.987 -3.674 7.439 152 HA TYR 19 HA TYR 19 -9.220 -6.413 8.231 153 HB2 TYR 19 2HB TYR 19 -9.717 -5.299 5.422 154 HB3 TYR 19 3HB TYR 19 -9.452 -6.986 5.857 155 HD1 TYR 19 HD1 TYR 19 -11.244 -8.205 7.209 156 HD2 TYR 19 HD2 TYR 19 -11.917 -4.337 5.519 157 HE1 TYR 19 HE1 TYR 19 -13.673 -8.526 7.433 158 HE2 TYR 19 HE2 TYR 19 -14.340 -4.660 5.738 159 HH TYR 19 HH TYR 19 -15.941 -6.634 5.864 160 H GLU 20 H GLU 20 -7.083 -6.351 8.784 161 HA GLU 20 HA GLU 20 -5.197 -5.102 6.921 162 HB2 GLU 20 2HB GLU 20 -4.035 -3.856 8.652 163 HB3 GLU 20 3HB GLU 20 -5.717 -3.351 8.565 164 HG2 GLU 20 2HG GLU 20 -6.217 -4.698 10.585 165 HG3 GLU 20 3HG GLU 20 -4.519 -5.168 10.680 166 H ARG 21 H ARG 21 -3.024 -5.600 7.292 167 HA ARG 21 HA ARG 21 -2.111 -7.577 9.122 168 HB2 ARG 21 2HB ARG 21 -3.281 -9.114 7.563 169 HB3 ARG 21 3HB ARG 21 -2.421 -8.423 6.194 170 HG2 ARG 21 2HG ARG 21 -0.272 -9.276 7.190 171 HG3 ARG 21 3HG ARG 21 -1.221 -10.047 8.455 172 HD2 ARG 21 2HD ARG 21 -1.373 -10.647 5.493 173 HD3 ARG 21 3HD ARG 21 -0.617 -11.658 6.727 174 HE ARG 21 HE ARG 21 -3.326 -11.231 7.412 175 HH11 ARG 21 1HH1 ARG 21 -1.413 -12.984 5.017 176 HH12 ARG 21 2HH1 ARG 21 -2.615 -14.213 4.791 177 HH21 ARG 21 1HH2 ARG 21 -4.876 -12.869 7.122 178 HH22 ARG 21 2HH2 ARG 21 -4.576 -14.148 5.986 179 H THR 22 H THR 22 0.147 -7.574 9.150 180 HA THR 22 HA THR 22 1.557 -5.722 7.369 181 HB THR 22 HB THR 22 2.616 -7.332 9.748 182 HG1 THR 22 HG1 THR 22 2.406 -5.248 10.833 183 HG21 THR 22 3HG2 THR 22 4.392 -6.542 8.241 184 HG22 THR 22 1HG2 THR 22 4.436 -5.667 9.774 185 HG23 THR 22 2HG2 THR 22 3.759 -4.898 8.336 186 H TYR 23 H TYR 23 2.250 -6.556 5.501 187 HA TYR 23 HA TYR 23 2.477 -9.456 5.087 188 HB2 TYR 23 2HB TYR 23 2.377 -7.166 3.061 189 HB3 TYR 23 3HB TYR 23 2.369 -8.883 2.668 190 HD1 TYR 23 HD1 TYR 23 0.373 -6.107 4.103 191 HD2 TYR 23 HD2 TYR 23 0.309 -10.194 2.862 192 HE1 TYR 23 HE1 TYR 23 -2.074 -6.115 4.249 193 HE2 TYR 23 HE2 TYR 23 -2.145 -10.198 3.013 194 HH TYR 23 HH TYR 23 -3.914 -9.007 4.096 195 H GLN 24 H GLN 24 4.394 -10.387 4.795 196 HA GLN 24 HA GLN 24 6.860 -8.792 4.794 197 HB2 GLN 24 2HB GLN 24 6.377 -11.812 4.962 198 HB3 GLN 24 3HB GLN 24 7.981 -11.095 4.856 199 HG2 GLN 24 2HG GLN 24 7.529 -11.651 7.159 200 HG3 GLN 24 3HG GLN 24 7.577 -9.899 7.004 201 HE21 GLN 24 1HE2 GLN 24 5.662 -8.726 7.362 202 HE22 GLN 24 2HE2 GLN 24 4.259 -9.434 8.072 203 H LEU 25 H LEU 25 7.297 -7.969 2.865 204 HA LEU 25 HA LEU 25 7.041 -9.570 0.383 205 HB2 LEU 25 2HB LEU 25 7.067 -6.524 0.711 206 HB3 LEU 25 3HB LEU 25 6.906 -7.392 -0.808 207 HG LEU 25 HG LEU 25 4.870 -7.344 1.452 208 HD11 LEU 25 1HD1 LEU 25 4.938 -5.263 0.171 209 HD12 LEU 25 2HD1 LEU 25 3.438 -6.134 -0.128 210 HD13 LEU 25 3HD1 LEU 25 4.726 -6.156 -1.336 211 HD21 LEU 25 3HD2 LEU 25 4.830 -9.544 0.405 212 HD22 LEU 25 1HD2 LEU 25 4.709 -8.814 -1.197 213 HD23 LEU 25 2HD2 LEU 25 3.387 -8.637 -0.039 214 H TYR 26 H TYR 26 8.951 -10.211 -0.419 215 HA TYR 26 HA TYR 26 11.439 -8.812 0.401 216 HB2 TYR 26 2HB TYR 26 11.172 -11.200 1.128 217 HB3 TYR 26 3HB TYR 26 11.065 -11.695 -0.558 218 HD1 TYR 26 HD1 TYR 26 13.318 -10.228 2.014 219 HD2 TYR 26 HD2 TYR 26 13.090 -11.976 -1.873 220 HE1 TYR 26 HE1 TYR 26 15.759 -10.455 1.975 221 HE2 TYR 26 HE2 TYR 26 15.536 -12.203 -1.915 222 HH TYR 26 HH TYR 26 17.467 -11.799 0.867 223 H ALA 27 H ALA 27 12.315 -7.613 -1.158 224 HA ALA 27 HA ALA 27 12.073 -8.442 -3.993 225 HB1 ALA 27 3HB ALA 27 11.998 -5.598 -2.919 226 HB2 ALA 27 1HB ALA 27 10.636 -6.491 -3.601 227 HB3 ALA 27 2HB ALA 27 12.006 -6.060 -4.625 228 H VAL 28 H VAL 28 13.845 -8.067 -5.280 229 HA VAL 28 HA VAL 28 16.444 -7.678 -3.946 230 HB VAL 28 HB VAL 28 15.831 -8.525 -6.825 231 HG11 VAL 28 1HG1 VAL 28 18.106 -7.634 -6.591 232 HG12 VAL 28 2HG1 VAL 28 18.146 -9.369 -6.893 233 HG13 VAL 28 3HG1 VAL 28 18.434 -8.751 -5.264 234 HG21 VAL 28 3HG2 VAL 28 16.452 -10.308 -4.431 235 HG22 VAL 28 1HG2 VAL 28 16.276 -10.852 -6.104 236 HG23 VAL 28 2HG2 VAL 28 14.894 -10.166 -5.250 237 H ARG 29 H ARG 29 14.231 -6.149 -6.163 238 HA ARG 29 HA ARG 29 15.862 -3.675 -6.187 239 HB2 ARG 29 2HB ARG 29 14.119 -4.580 -8.535 240 HB3 ARG 29 3HB ARG 29 15.205 -3.197 -8.487 241 HG2 ARG 29 2HG ARG 29 17.154 -4.672 -8.455 242 HG3 ARG 29 3HG ARG 29 16.110 -6.090 -8.347 243 HD2 ARG 29 2HD ARG 29 15.184 -5.553 -10.600 244 HD3 ARG 29 3HD ARG 29 16.293 -4.176 -10.700 245 HE ARG 29 HE ARG 29 17.711 -6.587 -10.151 246 HH11 ARG 29 1HH1 ARG 29 16.108 -4.913 -12.806 247 HH12 ARG 29 2HH1 ARG 29 17.073 -5.674 -14.032 248 HH21 ARG 29 1HH2 ARG 29 18.969 -7.578 -11.752 249 HH22 ARG 29 2HH2 ARG 29 18.709 -7.200 -13.426 250 H ASP 30 H ASP 30 14.477 -1.698 -6.333 251 HA ASP 30 HA ASP 30 12.226 -1.853 -4.579 252 HB2 ASP 30 2HB ASP 30 12.998 0.514 -6.336 253 HB3 ASP 30 3HB ASP 30 12.019 0.564 -4.870 254 H GLU 31 H GLU 31 12.578 -1.692 -8.047 255 HA GLU 31 HA GLU 31 9.889 -1.057 -8.753 256 HB2 GLU 31 2HB GLU 31 11.864 -0.609 -10.176 257 HB3 GLU 31 3HB GLU 31 12.123 -2.337 -10.396 258 HG2 GLU 31 2HG GLU 31 10.073 -2.542 -11.657 259 HG3 GLU 31 3HG GLU 31 9.601 -0.892 -11.265 260 H GLU 32 H GLU 32 11.485 -4.015 -7.836 261 HA GLU 32 HA GLU 32 9.623 -5.893 -8.930 262 HB2 GLU 32 2HB GLU 32 11.350 -6.244 -6.443 263 HB3 GLU 32 3HB GLU 32 10.586 -7.527 -7.372 264 HG2 GLU 32 2HG GLU 32 12.848 -5.742 -8.269 265 HG3 GLU 32 3HG GLU 32 12.963 -7.443 -7.841 266 H LEU 33 H LEU 33 9.544 -3.749 -6.212 267 HA LEU 33 HA LEU 33 7.657 -5.186 -4.600 268 HB2 LEU 33 2HB LEU 33 9.387 -3.029 -4.178 269 HB3 LEU 33 3HB LEU 33 7.828 -2.240 -4.156 270 HG LEU 33 HG LEU 33 8.588 -2.819 -1.884 271 HD11 LEU 33 1HD1 LEU 33 6.190 -4.497 -2.659 272 HD12 LEU 33 2HD1 LEU 33 6.180 -2.780 -2.253 273 HD13 LEU 33 3HD1 LEU 33 6.616 -3.965 -1.027 274 HD21 LEU 33 3HD2 LEU 33 8.567 -5.704 -2.828 275 HD22 LEU 33 1HD2 LEU 33 8.752 -5.186 -1.150 276 HD23 LEU 33 2HD2 LEU 33 9.968 -4.752 -2.341 277 H LYS 34 H LYS 34 7.347 -3.160 -7.385 278 HA LYS 34 HA LYS 34 4.846 -1.973 -7.117 279 HB2 LYS 34 2HB LYS 34 6.375 -2.972 -9.539 280 HB3 LYS 34 3HB LYS 34 4.760 -2.299 -9.734 281 HG2 LYS 34 2HG LYS 34 5.469 -0.143 -8.912 282 HG3 LYS 34 3HG LYS 34 7.036 -0.785 -8.415 283 HD2 LYS 34 2HD LYS 34 7.099 0.557 -10.547 284 HD3 LYS 34 3HD LYS 34 7.741 -1.079 -10.696 285 HE2 LYS 34 2HE LYS 34 6.376 -0.511 -12.646 286 HE3 LYS 34 3HE LYS 34 5.615 -1.814 -11.734 287 HZ1 LYS 34 3HZ LYS 34 4.095 -0.188 -10.765 288 HZ2 LYS 34 1HZ LYS 34 4.014 -0.152 -12.455 289 HZ3 LYS 34 2HZ LYS 34 4.852 1.055 -11.627 290 H GLU 35 H GLU 35 5.515 -5.124 -8.720 291 HA GLU 35 HA GLU 35 2.889 -5.890 -9.242 292 HB2 GLU 35 2HB GLU 35 3.757 -8.183 -9.519 293 HB3 GLU 35 3HB GLU 35 4.798 -7.009 -10.308 294 HG2 GLU 35 2HG GLU 35 6.528 -7.284 -8.744 295 HG3 GLU 35 3HG GLU 35 5.466 -7.969 -7.520 296 H LYS 36 H LYS 36 4.816 -6.334 -6.360 297 HA LYS 36 HA LYS 36 3.217 -8.273 -5.051 298 HB2 LYS 36 2HB LYS 36 5.141 -6.236 -3.840 299 HB3 LYS 36 3HB LYS 36 4.563 -7.704 -3.053 300 HG2 LYS 36 2HG LYS 36 5.763 -9.099 -4.657 301 HG3 LYS 36 3HG LYS 36 6.233 -7.677 -5.594 302 HD2 LYS 36 2HD LYS 36 7.488 -6.853 -3.539 303 HD3 LYS 36 3HD LYS 36 7.173 -8.423 -2.791 304 HE2 LYS 36 2HE LYS 36 8.657 -8.021 -5.414 305 HE3 LYS 36 3HE LYS 36 9.428 -8.260 -3.849 306 HZ1 LYS 36 3HZ LYS 36 7.583 -10.211 -5.105 307 HZ2 LYS 36 1HZ LYS 36 8.498 -10.439 -3.704 308 HZ3 LYS 36 2HZ LYS 36 9.266 -10.298 -5.204 309 H LEU 37 H LEU 37 3.450 -4.722 -4.776 310 HA LEU 37 HA LEU 37 1.406 -4.354 -2.861 311 HB2 LEU 37 2HB LEU 37 2.539 -2.449 -4.944 312 HB3 LEU 37 3HB LEU 37 1.416 -1.957 -3.684 313 HG LEU 37 HG LEU 37 4.183 -3.111 -3.189 314 HD11 LEU 37 1HD1 LEU 37 4.302 -0.890 -4.195 315 HD12 LEU 37 2HD1 LEU 37 4.818 -0.844 -2.513 316 HD13 LEU 37 3HD1 LEU 37 3.218 -0.248 -2.959 317 HD21 LEU 37 3HD2 LEU 37 2.160 -1.973 -1.229 318 HD22 LEU 37 1HD2 LEU 37 3.809 -2.468 -0.840 319 HD23 LEU 37 2HD2 LEU 37 2.637 -3.667 -1.376 320 H LYS 38 H LYS 38 1.293 -4.342 -6.457 321 HA LYS 38 HA LYS 38 -1.371 -3.561 -6.800 322 HB2 LYS 38 2HB LYS 38 0.334 -5.441 -8.487 323 HB3 LYS 38 3HB LYS 38 -1.202 -4.751 -9.012 324 HG2 LYS 38 2HG LYS 38 -0.294 -2.512 -9.003 325 HG3 LYS 38 3HG LYS 38 1.187 -3.064 -8.216 326 HD2 LYS 38 2HD LYS 38 1.605 -2.685 -10.594 327 HD3 LYS 38 3HD LYS 38 1.761 -4.402 -10.221 328 HE2 LYS 38 2HE LYS 38 -0.468 -4.832 -11.157 329 HE3 LYS 38 3HE LYS 38 -0.689 -3.106 -11.470 330 HZ1 LYS 38 3HZ LYS 38 0.021 -4.390 -13.434 331 HZ2 LYS 38 1HZ LYS 38 1.484 -4.742 -12.663 332 HZ3 LYS 38 2HZ LYS 38 1.087 -3.142 -13.035 333 H LYS 39 H LYS 39 0.045 -6.794 -6.289 334 HA LYS 39 HA LYS 39 -2.409 -8.226 -6.406 335 HB2 LYS 39 2HB LYS 39 0.382 -8.883 -5.435 336 HB3 LYS 39 3HB LYS 39 -0.935 -9.971 -5.014 337 HG2 LYS 39 2HG LYS 39 -0.136 -9.194 -7.839 338 HG3 LYS 39 3HG LYS 39 0.249 -10.720 -7.036 339 HD2 LYS 39 2HD LYS 39 -2.143 -11.272 -6.871 340 HD3 LYS 39 3HD LYS 39 -2.575 -9.722 -7.597 341 HE2 LYS 39 2HE LYS 39 -1.029 -11.947 -8.969 342 HE3 LYS 39 3HE LYS 39 -2.727 -11.541 -9.227 343 HZ1 LYS 39 3HZ LYS 39 -0.414 -9.789 -9.807 344 HZ2 LYS 39 1HZ LYS 39 -2.037 -9.360 -10.010 345 HZ3 LYS 39 2HZ LYS 39 -1.365 -10.597 -10.945 346 H VAL 40 H VAL 40 -0.451 -7.210 -3.567 347 HA VAL 40 HA VAL 40 -2.117 -8.265 -1.596 348 HB VAL 40 HB VAL 40 -0.145 -5.926 -1.481 349 HG11 VAL 40 1HG1 VAL 40 -0.200 -6.114 0.984 350 HG12 VAL 40 2HG1 VAL 40 -1.520 -7.281 0.870 351 HG13 VAL 40 3HG1 VAL 40 -1.764 -5.617 0.335 352 HG21 VAL 40 3HG2 VAL 40 0.110 -8.813 -0.516 353 HG22 VAL 40 1HG2 VAL 40 1.350 -7.561 -0.363 354 HG23 VAL 40 2HG2 VAL 40 0.865 -8.134 -1.958 355 H LEU 41 H LEU 41 -2.160 -4.995 -3.057 356 HA LEU 41 HA LEU 41 -4.268 -3.967 -1.431 357 HB2 LEU 41 2HB LEU 41 -3.096 -3.041 -4.084 358 HB3 LEU 41 3HB LEU 41 -4.396 -2.174 -3.279 359 HG LEU 41 HG LEU 41 -1.668 -2.678 -2.017 360 HD11 LEU 41 1HD1 LEU 41 -2.684 -0.139 -3.344 361 HD12 LEU 41 2HD1 LEU 41 -1.432 -1.214 -3.970 362 HD13 LEU 41 3HD1 LEU 41 -1.155 -0.324 -2.477 363 HD21 LEU 41 3HD2 LEU 41 -3.470 -2.383 -0.382 364 HD22 LEU 41 1HD2 LEU 41 -3.944 -0.863 -1.150 365 HD23 LEU 41 2HD2 LEU 41 -2.368 -1.011 -0.365 366 H ASN 42 H ASN 42 -4.285 -5.037 -4.892 367 HA ASN 42 HA ASN 42 -7.030 -4.546 -5.340 368 HB2 ASN 42 2HB ASN 42 -5.303 -4.773 -7.149 369 HB3 ASN 42 3HB ASN 42 -5.206 -6.501 -6.819 370 HD21 ASN 42 1HD2 ASN 42 -5.861 -7.106 -8.879 371 HD22 ASN 42 2HD2 ASN 42 -7.469 -6.881 -9.460 372 H GLU 43 H GLU 43 -5.351 -7.455 -4.261 373 HA GLU 43 HA GLU 43 -7.659 -9.183 -4.456 374 HB2 GLU 43 2HB GLU 43 -4.912 -9.635 -3.230 375 HB3 GLU 43 3HB GLU 43 -6.130 -10.883 -3.406 376 HG2 GLU 43 2HG GLU 43 -4.705 -9.406 -5.639 377 HG3 GLU 43 3HG GLU 43 -4.485 -11.089 -5.177 378 H ARG 44 H ARG 44 -5.986 -7.439 -1.827 379 HA ARG 44 HA ARG 44 -7.603 -8.431 0.302 380 HB2 ARG 44 2HB ARG 44 -5.399 -7.100 0.483 381 HB3 ARG 44 3HB ARG 44 -6.348 -5.652 0.191 382 HG2 ARG 44 2HG ARG 44 -5.875 -5.964 2.578 383 HG3 ARG 44 3HG ARG 44 -7.613 -6.049 2.273 384 HD2 ARG 44 2HD ARG 44 -7.719 -8.335 2.718 385 HD3 ARG 44 3HD ARG 44 -6.029 -8.620 2.302 386 HE ARG 44 HE ARG 44 -5.503 -7.378 4.421 387 HH11 ARG 44 1HH1 ARG 44 -8.529 -9.171 4.155 388 HH12 ARG 44 2HH1 ARG 44 -8.618 -9.473 5.867 389 HH21 ARG 44 1HH2 ARG 44 -5.588 -7.893 6.608 390 HH22 ARG 44 2HH2 ARG 44 -6.959 -8.750 7.248 391 H MET 45 H MET 45 -7.958 -5.869 -2.048 392 HA MET 45 HA MET 45 -10.429 -4.842 -0.916 393 HB2 MET 45 2HB MET 45 -8.874 -4.057 -3.405 394 HB3 MET 45 3HB MET 45 -10.372 -3.285 -2.895 395 HG2 MET 45 2HG MET 45 -9.181 -2.771 -0.686 396 HG3 MET 45 3HG MET 45 -7.695 -3.245 -1.502 397 HE1 MET 45 3HE MET 45 -10.323 0.296 -2.881 398 HE2 MET 45 1HE MET 45 -10.744 -0.745 -1.520 399 HE3 MET 45 2HE MET 45 -10.776 -1.384 -3.166 400 H ASP 46 H ASP 46 -9.666 -7.441 -2.888 401 HA ASP 46 HA ASP 46 -11.746 -7.413 -4.775 402 HB2 ASP 46 2HB ASP 46 -9.802 -8.891 -5.004 403 HB3 ASP 46 3HB ASP 46 -10.272 -9.801 -3.574 404 HA PRO 47 HA PRO 47 -14.602 -9.749 -1.538 405 HB2 PRO 47 2HB PRO 47 -13.893 -9.584 1.125 406 HB3 PRO 47 3HB PRO 47 -13.445 -10.952 0.083 407 HG2 PRO 47 2HG PRO 47 -11.797 -8.555 0.848 408 HG3 PRO 47 3HG PRO 47 -11.332 -10.272 0.821 409 HD2 PRO 47 2HD PRO 47 -10.652 -8.609 -1.177 410 HD3 PRO 47 3HD PRO 47 -11.087 -10.305 -1.498 411 H ILE 48 H ILE 48 -12.863 -6.770 -0.920 412 HA ILE 48 HA ILE 48 -14.885 -5.399 0.604 413 HB ILE 48 HB ILE 48 -12.555 -4.265 -1.016 414 HG12 ILE 48 2HG1 ILE 48 -11.752 -5.827 0.699 415 HG13 ILE 48 3HG1 ILE 48 -11.301 -4.184 1.116 416 HG21 ILE 48 1HG2 ILE 48 -14.191 -2.511 -0.568 417 HG22 ILE 48 2HG2 ILE 48 -12.727 -2.246 0.379 418 HG23 ILE 48 3HG2 ILE 48 -14.170 -2.899 1.154 419 HD11 ILE 48 3HD1 ILE 48 -13.126 -4.135 2.768 420 HD12 ILE 48 1HD1 ILE 48 -11.948 -5.411 3.067 421 HD13 ILE 48 2HD1 ILE 48 -13.510 -5.809 2.360 422 H LYS 49 H LYS 49 -14.207 -5.892 -2.798 423 HA LYS 49 HA LYS 49 -16.006 -3.948 -3.882 424 HB2 LYS 49 2HB LYS 49 -14.868 -6.502 -5.099 425 HB3 LYS 49 3HB LYS 49 -15.753 -5.274 -6.002 426 HG2 LYS 49 2HG LYS 49 -14.007 -3.622 -5.545 427 HG3 LYS 49 3HG LYS 49 -13.146 -4.782 -4.537 428 HD2 LYS 49 2HD LYS 49 -12.975 -6.261 -6.633 429 HD3 LYS 49 3HD LYS 49 -13.537 -4.853 -7.542 430 HE2 LYS 49 2HE LYS 49 -11.586 -3.557 -6.686 431 HE3 LYS 49 3HE LYS 49 -11.021 -5.004 -5.844 432 HZ1 LYS 49 3HZ LYS 49 -9.890 -4.726 -7.946 433 HZ2 LYS 49 1HZ LYS 49 -11.357 -4.724 -8.782 434 HZ3 LYS 49 2HZ LYS 49 -10.835 -6.125 -7.991 435 H LYS 50 H LYS 50 -16.265 -7.345 -2.941 436 HA LYS 50 HA LYS 50 -18.968 -7.759 -3.760 437 HB2 LYS 50 2HB LYS 50 -17.087 -9.493 -3.226 438 HB3 LYS 50 3HB LYS 50 -17.520 -9.289 -1.540 439 HG2 LYS 50 2HG LYS 50 -19.459 -10.227 -3.692 440 HG3 LYS 50 3HG LYS 50 -18.497 -11.313 -2.699 441 HD2 LYS 50 2HD LYS 50 -20.675 -9.428 -1.735 442 HD3 LYS 50 3HD LYS 50 -20.766 -11.187 -1.826 443 HE2 LYS 50 2HE LYS 50 -18.992 -11.372 -0.120 444 HE3 LYS 50 3HE LYS 50 -18.884 -9.612 -0.029 445 HZ1 LYS 50 3HZ LYS 50 -20.229 -10.539 1.760 446 HZ2 LYS 50 1HZ LYS 50 -21.294 -11.217 0.636 447 HZ3 LYS 50 2HZ LYS 50 -21.153 -9.541 0.763 448 H LEU 51 H LEU 51 -17.415 -6.504 -0.847 449 HA LEU 51 HA LEU 51 -19.754 -6.331 0.813 450 HB2 LEU 51 2HB LEU 51 -17.118 -4.808 0.912 451 HB3 LEU 51 3HB LEU 51 -18.368 -4.659 2.135 452 HG LEU 51 HG LEU 51 -16.804 -7.193 1.510 453 HD11 LEU 51 1HD1 LEU 51 -16.614 -5.334 3.905 454 HD12 LEU 51 2HD1 LEU 51 -15.426 -5.491 2.609 455 HD13 LEU 51 3HD1 LEU 51 -15.733 -6.848 3.686 456 HD21 LEU 51 3HD2 LEU 51 -19.064 -7.746 2.256 457 HD22 LEU 51 1HD2 LEU 51 -18.880 -6.706 3.674 458 HD23 LEU 51 2HD2 LEU 51 -17.884 -8.155 3.496 459 H GLY 52 H GLY 52 -18.194 -4.244 -1.549 460 HA2 GLY 52 2HA GLY 52 -19.039 -2.566 -2.854 461 HA3 GLY 52 3HA GLY 52 -20.615 -2.831 -2.127 462 H CYS 53 H CYS 53 -17.542 -1.938 -0.550 463 HA CYS 53 HA CYS 53 -18.670 0.435 0.630 464 HB2 CYS 53 2HB CYS 53 -15.866 -0.718 0.568 465 HB3 CYS 53 3HB CYS 53 -16.167 0.887 1.225 466 H LYS 54 H LYS 54 -19.088 2.187 -0.558 467 HA LYS 54 HA LYS 54 -18.264 2.736 -3.189 468 HB2 LYS 54 2HB LYS 54 -19.275 4.994 -2.810 469 HB3 LYS 54 3HB LYS 54 -20.314 3.690 -2.243 470 HG2 LYS 54 2HG LYS 54 -19.557 4.083 0.079 471 HG3 LYS 54 3HG LYS 54 -18.530 5.403 -0.484 472 HD2 LYS 54 2HD LYS 54 -20.537 6.659 -1.221 473 HD3 LYS 54 3HD LYS 54 -21.570 5.327 -0.687 474 HE2 LYS 54 2HE LYS 54 -20.807 5.661 1.643 475 HE3 LYS 54 3HE LYS 54 -19.756 6.979 1.114 476 HZ1 LYS 54 3HZ LYS 54 -21.718 8.207 0.405 477 HZ2 LYS 54 1HZ LYS 54 -21.815 7.809 2.044 478 HZ3 LYS 54 2HZ LYS 54 -22.720 6.944 0.911 479 H ARG 55 H ARG 55 -16.919 3.662 -0.102 480 HA ARG 55 HA ARG 55 -14.409 4.539 -1.328 481 HB2 ARG 55 2HB ARG 55 -15.822 6.618 -0.904 482 HB3 ARG 55 3HB ARG 55 -15.847 6.203 0.808 483 HG2 ARG 55 2HG ARG 55 -13.242 6.290 0.662 484 HG3 ARG 55 3HG ARG 55 -13.494 7.121 -0.875 485 HD2 ARG 55 2HD ARG 55 -13.210 8.792 0.834 486 HD3 ARG 55 3HD ARG 55 -14.916 8.813 0.365 487 HE ARG 55 HE ARG 55 -14.638 7.055 2.515 488 HH11 ARG 55 1HH1 ARG 55 -14.324 10.516 1.975 489 HH12 ARG 55 2HH1 ARG 55 -14.731 10.920 3.611 490 HH21 ARG 55 1HH2 ARG 55 -15.137 7.595 4.644 491 HH22 ARG 55 2HH2 ARG 55 -15.190 9.265 5.125 492 H VAL 56 H VAL 56 -12.661 4.102 0.006 493 HA VAL 56 HA VAL 56 -13.114 2.876 2.668 494 HB VAL 56 HB VAL 56 -11.356 1.175 2.186 495 HG11 VAL 56 1HG1 VAL 56 -13.699 0.533 1.928 496 HG12 VAL 56 2HG1 VAL 56 -12.701 -0.313 0.746 497 HG13 VAL 56 3HG1 VAL 56 -13.690 1.062 0.243 498 HG21 VAL 56 3HG2 VAL 56 -11.487 2.137 -0.701 499 HG22 VAL 56 1HG2 VAL 56 -10.584 0.737 -0.115 500 HG23 VAL 56 2HG2 VAL 56 -10.126 2.359 0.400 501 H ARG 57 H ARG 57 -11.439 3.240 4.157 502 HA ARG 57 HA ARG 57 -9.423 5.277 3.394 503 HB2 ARG 57 2HB ARG 57 -10.935 5.876 5.255 504 HB3 ARG 57 3HB ARG 57 -10.470 4.425 6.137 505 HG2 ARG 57 2HG ARG 57 -8.218 5.261 6.458 506 HG3 ARG 57 3HG ARG 57 -8.526 6.640 5.398 507 HD2 ARG 57 2HD ARG 57 -10.209 7.493 7.018 508 HD3 ARG 57 3HD ARG 57 -9.873 6.115 8.070 509 HE ARG 57 HE ARG 57 -7.786 7.020 8.610 510 HH11 ARG 57 1HH1 ARG 57 -9.483 9.146 6.372 511 HH12 ARG 57 2HH1 ARG 57 -8.452 10.501 6.698 512 HH21 ARG 57 1HH2 ARG 57 -6.434 8.808 8.999 513 HH22 ARG 57 2HH2 ARG 57 -6.733 10.309 8.179 514 H ILE 58 H ILE 58 -7.591 4.314 2.750 515 HA ILE 58 HA ILE 58 -6.642 1.843 4.085 516 HB ILE 58 HB ILE 58 -5.751 2.910 1.358 517 HG12 ILE 58 2HG1 ILE 58 -7.783 0.695 1.940 518 HG13 ILE 58 3HG1 ILE 58 -8.152 2.277 1.267 519 HG21 ILE 58 1HG2 ILE 58 -5.299 0.198 2.685 520 HG22 ILE 58 2HG2 ILE 58 -4.090 1.467 2.478 521 HG23 ILE 58 3HG2 ILE 58 -4.760 0.656 1.066 522 HD11 ILE 58 3HD1 ILE 58 -8.145 0.578 -0.448 523 HD12 ILE 58 1HD1 ILE 58 -6.478 0.151 -0.063 524 HD13 ILE 58 2HD1 ILE 58 -6.853 1.742 -0.731 525 H SER 59 H SER 59 -5.270 2.423 5.680 526 HA SER 59 HA SER 59 -3.241 4.522 5.295 527 HB2 SER 59 2HB SER 59 -3.992 2.936 7.804 528 HB3 SER 59 3HB SER 59 -2.952 4.362 7.728 529 HG SER 59 HG SER 59 -5.450 4.730 6.616 530 H ILE 60 H ILE 60 -1.547 3.640 4.173 531 HA ILE 60 HA ILE 60 -0.534 0.950 4.840 532 HB ILE 60 HB ILE 60 0.185 2.786 2.511 533 HG12 ILE 60 2HG1 ILE 60 -1.495 0.235 2.505 534 HG13 ILE 60 3HG1 ILE 60 -2.133 1.869 2.366 535 HG21 ILE 60 1HG2 ILE 60 1.056 -0.080 3.007 536 HG22 ILE 60 2HG2 ILE 60 2.085 1.349 3.117 537 HG23 ILE 60 3HG2 ILE 60 1.411 0.868 1.560 538 HD11 ILE 60 3HD1 ILE 60 -2.066 0.817 0.213 539 HD12 ILE 60 1HD1 ILE 60 -0.343 0.478 0.377 540 HD13 ILE 60 2HD1 ILE 60 -0.910 2.145 0.250 541 H ARG 61 H ARG 61 1.346 0.699 5.919 542 HA ARG 61 HA ARG 61 3.255 2.961 6.147 543 HB2 ARG 61 2HB ARG 61 2.406 1.046 8.374 544 HB3 ARG 61 3HB ARG 61 3.792 2.132 8.483 545 HG2 ARG 61 2HG ARG 61 2.193 4.053 8.068 546 HG3 ARG 61 3HG ARG 61 0.871 2.903 8.247 547 HD2 ARG 61 2HD ARG 61 2.962 3.418 10.380 548 HD3 ARG 61 3HD ARG 61 1.417 4.256 10.296 549 HE ARG 61 HE ARG 61 1.597 1.315 10.608 550 HH11 ARG 61 1HH1 ARG 61 0.357 4.428 11.685 551 HH12 ARG 61 2HH1 ARG 61 -0.674 3.739 12.901 552 HH21 ARG 61 1HH2 ARG 61 0.313 0.433 12.270 553 HH22 ARG 61 2HH2 ARG 61 -0.695 1.471 13.234 554 H VAL 62 H VAL 62 5.343 2.463 5.799 555 HA VAL 62 HA VAL 62 6.014 -0.273 4.927 556 HB VAL 62 HB VAL 62 6.485 1.647 3.379 557 HG11 VAL 62 1HG1 VAL 62 8.573 2.550 5.376 558 HG12 VAL 62 2HG1 VAL 62 7.072 3.401 4.997 559 HG13 VAL 62 3HG1 VAL 62 8.315 3.213 3.758 560 HG21 VAL 62 3HG2 VAL 62 8.962 0.181 4.321 561 HG22 VAL 62 1HG2 VAL 62 8.798 1.025 2.777 562 HG23 VAL 62 2HG2 VAL 62 7.788 -0.375 3.126 563 H LYS 63 H LYS 63 7.532 -1.535 6.058 564 HA LYS 63 HA LYS 63 8.479 -0.567 8.643 565 HB2 LYS 63 2HB LYS 63 7.661 -2.913 8.403 566 HB3 LYS 63 3HB LYS 63 8.956 -3.250 7.257 567 HG2 LYS 63 2HG LYS 63 10.633 -2.811 9.032 568 HG3 LYS 63 3HG LYS 63 9.330 -2.489 10.180 569 HD2 LYS 63 2HD LYS 63 8.519 -4.823 9.884 570 HD3 LYS 63 3HD LYS 63 9.842 -5.131 8.758 571 HE2 LYS 63 2HE LYS 63 10.168 -4.396 11.687 572 HE3 LYS 63 3HE LYS 63 10.303 -6.020 11.015 573 HZ1 LYS 63 3HZ LYS 63 12.184 -5.245 9.682 574 HZ2 LYS 63 1HZ LYS 63 12.469 -5.052 11.336 575 HZ3 LYS 63 2HZ LYS 63 12.065 -3.715 10.388 576 H HIS 64 H HIS 64 10.310 0.538 8.776 577 HA HIS 64 HA HIS 64 11.876 1.091 6.462 578 HB2 HIS 64 2HB HIS 64 12.450 1.863 9.347 579 HB3 HIS 64 3HB HIS 64 13.118 2.625 7.907 580 HD1 HIS 64 HD1 HIS 64 11.107 3.720 10.348 581 HD2 HIS 64 HD2 HIS 64 10.332 3.263 6.293 582 HE1 HIS 64 HE1 HIS 64 9.243 5.314 9.829 583 HE2 HIS 64 HE2 HIS 64 8.902 5.126 7.352 584 H SER 65 H SER 65 13.777 0.279 5.837 585 HA SER 65 HA SER 65 14.740 -2.187 6.699 586 HB2 SER 65 2HB SER 65 15.177 -1.477 4.467 587 HB3 SER 65 3HB SER 65 15.961 0.007 4.999 588 HG SER 65 HG SER 65 17.735 -1.100 5.535 589 H ASP 66 H ASP 66 16.124 1.045 7.294 590 HA ASP 66 HA ASP 66 17.378 0.186 9.807 591 HB2 ASP 66 2HB ASP 66 18.959 1.528 7.548 592 HB3 ASP 66 3HB ASP 66 19.555 1.292 9.186 593 H ALA 67 H ALA 67 18.558 2.287 10.736 594 HA ALA 67 HA ALA 67 16.628 4.294 11.232 595 HB1 ALA 67 3HB ALA 67 18.419 5.423 12.482 596 HB2 ALA 67 1HB ALA 67 19.622 4.353 11.745 597 HB3 ALA 67 2HB ALA 67 18.396 3.694 12.827 598 H ALA 68 H ALA 68 19.672 4.390 9.356 599 HA ALA 68 HA ALA 68 19.402 7.013 8.318 600 HB1 ALA 68 3HB ALA 68 21.562 5.835 8.405 601 HB2 ALA 68 1HB ALA 68 21.212 6.394 6.769 602 HB3 ALA 68 2HB ALA 68 20.999 4.690 7.190 603 H GLU 69 H GLU 69 18.090 3.942 7.326 604 HA GLU 69 HA GLU 69 17.396 4.662 4.650 605 HB2 GLU 69 2HB GLU 69 16.496 2.381 6.448 606 HB3 GLU 69 3HB GLU 69 15.888 2.590 4.810 607 HG2 GLU 69 2HG GLU 69 18.819 2.253 5.498 608 HG3 GLU 69 3HG GLU 69 17.749 0.941 5.016 609 H GLU 70 H GLU 70 15.800 5.144 7.754 610 HA GLU 70 HA GLU 70 13.117 4.869 7.172 611 HB2 GLU 70 2HB GLU 70 14.311 6.912 9.090 612 HB3 GLU 70 3HB GLU 70 12.634 6.373 9.081 613 HG2 GLU 70 2HG GLU 70 13.512 4.023 9.492 614 HG3 GLU 70 3HG GLU 70 15.085 4.749 9.770 615 H LYS 71 H LYS 71 14.990 7.861 6.792 616 HA LYS 71 HA LYS 71 12.811 9.544 6.026 617 HB2 LYS 71 2HB LYS 71 15.759 9.971 5.437 618 HB3 LYS 71 3HB LYS 71 14.513 11.208 5.553 619 HG2 LYS 71 2HG LYS 71 14.289 10.746 7.976 620 HG3 LYS 71 3HG LYS 71 15.550 9.516 7.854 621 HD2 LYS 71 2HD LYS 71 15.881 12.496 7.325 622 HD3 LYS 71 3HD LYS 71 16.488 11.614 8.727 623 HE2 LYS 71 2HE LYS 71 17.939 10.263 7.179 624 HE3 LYS 71 3HE LYS 71 17.389 11.280 5.842 625 HZ1 LYS 71 3HZ LYS 71 18.841 12.238 8.252 626 HZ2 LYS 71 1HZ LYS 71 18.333 13.205 6.964 627 HZ3 LYS 71 2HZ LYS 71 19.519 12.025 6.722 628 H LYS 72 H LYS 72 15.290 7.749 4.290 629 HA LYS 72 HA LYS 72 14.614 8.474 1.615 630 HB2 LYS 72 2HB LYS 72 16.824 7.536 2.257 631 HB3 LYS 72 3HB LYS 72 16.068 6.023 2.737 632 HG2 LYS 72 2HG LYS 72 15.302 5.793 0.297 633 HG3 LYS 72 3HG LYS 72 16.378 7.141 -0.070 634 HD2 LYS 72 2HD LYS 72 17.176 4.445 1.100 635 HD3 LYS 72 3HD LYS 72 17.485 5.000 -0.546 636 HE2 LYS 72 2HE LYS 72 18.980 6.756 0.314 637 HE3 LYS 72 3HE LYS 72 18.642 6.249 1.972 638 HZ1 LYS 72 3HZ LYS 72 20.736 5.354 1.088 639 HZ2 LYS 72 1HZ LYS 72 19.877 4.515 -0.096 640 HZ3 LYS 72 2HZ LYS 72 19.658 4.137 1.536 641 H GLU 73 H GLU 73 13.403 6.128 3.911 642 HA GLU 73 HA GLU 73 12.517 4.122 2.061 643 HB2 GLU 73 2HB GLU 73 13.268 3.765 4.494 644 HB3 GLU 73 3HB GLU 73 11.725 4.441 5.000 645 HG2 GLU 73 2HG GLU 73 11.437 2.108 5.118 646 HG3 GLU 73 3HG GLU 73 10.622 2.566 3.627 647 H ALA 74 H ALA 74 10.974 6.638 4.030 648 HA ALA 74 HA ALA 74 8.303 6.257 3.359 649 HB1 ALA 74 3HB ALA 74 7.990 8.634 3.883 650 HB2 ALA 74 1HB ALA 74 9.736 8.899 3.791 651 HB3 ALA 74 2HB ALA 74 9.060 7.864 5.053 652 H LYS 75 H LYS 75 10.676 8.357 1.702 653 HA LYS 75 HA LYS 75 9.077 9.154 -0.490 654 HB2 LYS 75 2HB LYS 75 12.117 9.007 -0.272 655 HB3 LYS 75 3HB LYS 75 11.224 9.954 -1.462 656 HG2 LYS 75 2HG LYS 75 10.274 11.345 0.356 657 HG3 LYS 75 3HG LYS 75 11.162 10.384 1.544 658 HD2 LYS 75 2HD LYS 75 13.310 11.125 0.540 659 HD3 LYS 75 3HD LYS 75 12.416 12.090 -0.644 660 HE2 LYS 75 2HE LYS 75 13.234 13.494 1.196 661 HE3 LYS 75 3HE LYS 75 11.472 13.462 1.179 662 HZ1 LYS 75 3HZ LYS 75 13.169 11.792 2.959 663 HZ2 LYS 75 1HZ LYS 75 11.480 11.900 2.982 664 HZ3 LYS 75 2HZ LYS 75 12.419 13.236 3.413 665 H LYS 76 H LYS 76 11.385 6.525 -0.113 666 HA LYS 76 HA LYS 76 11.728 5.577 -2.708 667 HB2 LYS 76 2HB LYS 76 13.101 4.893 -0.745 668 HB3 LYS 76 3HB LYS 76 11.717 4.069 -0.048 669 HG2 LYS 76 2HG LYS 76 11.772 2.578 -2.161 670 HG3 LYS 76 3HG LYS 76 13.378 3.252 -2.441 671 HD2 LYS 76 2HD LYS 76 12.463 1.697 0.014 672 HD3 LYS 76 3HD LYS 76 13.551 1.116 -1.243 673 HE2 LYS 76 2HE LYS 76 15.248 2.758 -0.565 674 HE3 LYS 76 3HE LYS 76 14.147 3.425 0.646 675 HZ1 LYS 76 3HZ LYS 76 14.146 1.238 1.748 676 HZ2 LYS 76 1HZ LYS 76 15.703 1.908 1.681 677 HZ3 LYS 76 2HZ LYS 76 15.268 0.674 0.619 678 H PHE 77 H PHE 77 9.569 4.486 -0.159 679 HA PHE 77 HA PHE 77 8.126 2.592 -1.735 680 HB2 PHE 77 2HB PHE 77 8.604 2.579 0.813 681 HB3 PHE 77 3HB PHE 77 7.285 3.736 0.964 682 HD1 PHE 77 HD1 PHE 77 8.018 0.413 -0.638 683 HD2 PHE 77 HD2 PHE 77 5.162 2.820 1.450 684 HE1 PHE 77 HE1 PHE 77 6.456 -1.472 -0.586 685 HE2 PHE 77 HE2 PHE 77 3.607 0.916 1.494 686 HZ PHE 77 HZ PHE 77 4.257 -1.221 0.482 687 H ALA 78 H ALA 78 7.749 5.973 -0.928 688 HA ALA 78 HA ALA 78 5.040 6.369 -1.626 689 HB1 ALA 78 3HB ALA 78 5.624 8.740 -1.829 690 HB2 ALA 78 1HB ALA 78 7.347 8.334 -1.815 691 HB3 ALA 78 2HB ALA 78 6.354 8.033 -0.388 692 H ALA 79 H ALA 79 8.049 6.602 -3.544 693 HA ALA 79 HA ALA 79 6.939 7.390 -5.995 694 HB1 ALA 79 3HB ALA 79 9.350 7.508 -5.484 695 HB2 ALA 79 1HB ALA 79 9.064 6.617 -6.978 696 HB3 ALA 79 2HB ALA 79 9.447 5.747 -5.489 697 H ILE 80 H ILE 80 7.610 4.144 -4.673 698 HA ILE 80 HA ILE 80 6.730 2.644 -6.915 699 HB ILE 80 HB ILE 80 6.839 1.777 -3.985 700 HG12 ILE 80 2HG1 ILE 80 9.032 2.561 -4.761 701 HG13 ILE 80 3HG1 ILE 80 9.067 0.813 -4.572 702 HG21 ILE 80 1HG2 ILE 80 6.983 -0.539 -4.841 703 HG22 ILE 80 2HG2 ILE 80 6.756 0.047 -6.488 704 HG23 ILE 80 3HG2 ILE 80 5.459 0.222 -5.305 705 HD11 ILE 80 3HD1 ILE 80 8.856 0.561 -7.015 706 HD12 ILE 80 1HD1 ILE 80 10.270 1.504 -6.552 707 HD13 ILE 80 2HD1 ILE 80 8.845 2.320 -7.188 708 H LEU 81 H LEU 81 5.009 3.747 -3.962 709 HA LEU 81 HA LEU 81 2.551 2.408 -4.437 710 HB2 LEU 81 2HB LEU 81 3.370 4.767 -2.719 711 HB3 LEU 81 3HB LEU 81 1.676 4.333 -2.854 712 HG LEU 81 HG LEU 81 3.860 2.513 -1.760 713 HD11 LEU 81 1HD1 LEU 81 1.674 4.037 -0.298 714 HD12 LEU 81 2HD1 LEU 81 3.403 4.393 -0.268 715 HD13 LEU 81 3HD1 LEU 81 2.807 2.891 0.427 716 HD21 LEU 81 3HD2 LEU 81 2.073 1.212 -2.819 717 HD22 LEU 81 1HD2 LEU 81 0.851 2.078 -1.883 718 HD23 LEU 81 2HD2 LEU 81 2.018 1.030 -1.070 719 H ASN 82 H ASN 82 3.826 5.545 -5.369 720 HA ASN 82 HA ASN 82 1.557 6.869 -6.309 721 HB2 ASN 82 2HB ASN 82 3.666 8.044 -6.033 722 HB3 ASN 82 3HB ASN 82 4.478 7.001 -7.192 723 HD21 ASN 82 1HD2 ASN 82 2.157 9.618 -6.824 724 HD22 ASN 82 2HD2 ASN 82 2.224 10.171 -8.459 725 H LYS 83 H LYS 83 3.782 4.663 -7.959 726 HA LYS 83 HA LYS 83 2.508 4.652 -10.499 727 HB2 LYS 83 2HB LYS 83 4.311 2.536 -9.232 728 HB3 LYS 83 3HB LYS 83 3.933 2.669 -10.947 729 HG2 LYS 83 2HG LYS 83 5.495 4.684 -9.297 730 HG3 LYS 83 3HG LYS 83 6.160 3.557 -10.484 731 HD2 LYS 83 2HD LYS 83 4.959 4.688 -12.293 732 HD3 LYS 83 3HD LYS 83 4.158 5.755 -11.135 733 HE2 LYS 83 2HE LYS 83 6.005 6.893 -12.277 734 HE3 LYS 83 3HE LYS 83 6.317 6.765 -10.548 735 HZ1 LYS 83 3HZ LYS 83 8.261 6.257 -11.926 736 HZ2 LYS 83 1HZ LYS 83 7.441 4.945 -12.605 737 HZ3 LYS 83 2HZ LYS 83 7.807 4.953 -10.955 738 H VAL 84 H VAL 84 2.170 2.592 -7.606 739 HA VAL 84 HA VAL 84 0.724 0.486 -8.879 740 HB VAL 84 HB VAL 84 1.118 1.174 -5.930 741 HG11 VAL 84 1HG1 VAL 84 -0.150 -1.338 -7.097 742 HG12 VAL 84 2HG1 VAL 84 -0.960 -0.109 -6.122 743 HG13 VAL 84 3HG1 VAL 84 0.302 -1.107 -5.406 744 HG21 VAL 84 3HG2 VAL 84 2.405 -0.971 -7.674 745 HG22 VAL 84 1HG2 VAL 84 2.719 -0.710 -5.956 746 HG23 VAL 84 2HG2 VAL 84 3.174 0.520 -7.133 747 H PHE 85 H PHE 85 -0.273 3.185 -6.774 748 HA PHE 85 HA PHE 85 -3.047 2.732 -6.771 749 HB2 PHE 85 2HB PHE 85 -1.567 5.388 -6.529 750 HB3 PHE 85 3HB PHE 85 -3.276 5.161 -6.168 751 HD1 PHE 85 HD1 PHE 85 -3.175 2.527 -4.701 752 HD2 PHE 85 HD2 PHE 85 -0.685 5.996 -4.396 753 HE1 PHE 85 HE1 PHE 85 -2.628 1.945 -2.374 754 HE2 PHE 85 HE2 PHE 85 -0.146 5.396 -2.074 755 HZ PHE 85 HZ PHE 85 -1.113 3.375 -1.065 756 H ALA 86 H ALA 86 -0.978 4.516 -9.040 757 HA ALA 86 HA ALA 86 -3.036 5.502 -10.751 758 HB1 ALA 86 3HB ALA 86 -1.225 5.926 -12.360 759 HB2 ALA 86 1HB ALA 86 -0.122 4.931 -11.396 760 HB3 ALA 86 2HB ALA 86 -0.764 6.434 -10.738 761 H GLU 87 H GLU 87 -1.425 2.402 -10.500 762 HA GLU 87 HA GLU 87 -2.398 1.347 -13.039 763 HB2 GLU 87 2HB GLU 87 -0.996 -0.003 -10.683 764 HB3 GLU 87 3HB GLU 87 -1.414 -0.814 -12.193 765 HG2 GLU 87 2HG GLU 87 0.110 0.604 -13.452 766 HG3 GLU 87 3HG GLU 87 0.434 1.589 -12.031 767 H LEU 88 H LEU 88 -3.704 1.848 -9.946 768 HA LEU 88 HA LEU 88 -5.677 -0.347 -10.170 769 HB2 LEU 88 2HB LEU 88 -4.760 1.212 -7.721 770 HB3 LEU 88 3HB LEU 88 -6.061 0.030 -7.715 771 HG LEU 88 HG LEU 88 -3.136 -0.574 -8.306 772 HD11 LEU 88 1HD1 LEU 88 -4.768 -1.246 -5.841 773 HD12 LEU 88 2HD1 LEU 88 -3.498 -0.025 -5.949 774 HD13 LEU 88 3HD1 LEU 88 -3.097 -1.728 -6.153 775 HD21 LEU 88 3HD2 LEU 88 -3.782 -2.950 -8.254 776 HD22 LEU 88 1HD2 LEU 88 -4.590 -2.076 -9.557 777 HD23 LEU 88 2HD2 LEU 88 -5.477 -2.484 -8.088 778 H GLY 89 H GLY 89 -5.271 2.902 -10.747 779 HA2 GLY 89 2HA GLY 89 -6.816 4.368 -11.638 780 HA3 GLY 89 3HA GLY 89 -8.110 3.286 -11.161 781 H TYR 90 H TYR 90 -5.927 4.160 -8.634 782 HA TYR 90 HA TYR 90 -7.860 5.972 -7.408 783 HB2 TYR 90 2HB TYR 90 -5.141 5.114 -6.312 784 HB3 TYR 90 3HB TYR 90 -6.453 5.873 -5.410 785 HD1 TYR 90 HD2 TYR 90 -8.804 4.259 -6.331 786 HD2 TYR 90 HD1 TYR 90 -4.853 3.023 -5.255 787 HE1 TYR 90 HE2 TYR 90 -9.651 2.024 -5.757 788 HE2 TYR 90 HE1 TYR 90 -5.707 0.794 -4.687 789 HH TYR 90 HH TYR 90 -7.762 -0.300 -4.108 790 H ASN 91 H ASN 91 -7.553 8.132 -7.116 791 HA ASN 91 HA ASN 91 -5.756 9.467 -8.954 792 HB2 ASN 91 2HB ASN 91 -8.168 10.111 -8.629 793 HB3 ASN 91 3HB ASN 91 -7.784 10.645 -7.001 794 HD21 ASN 91 1HD2 ASN 91 -7.424 11.365 -10.407 795 HD22 ASN 91 2HD2 ASN 91 -6.875 12.989 -10.207 796 H ASP 92 H ASP 92 -4.228 11.123 -8.340 797 HA ASP 92 HA ASP 92 -2.539 10.394 -6.174 798 HB2 ASP 92 2HB ASP 92 -2.486 12.793 -8.056 799 HB3 ASP 92 3HB ASP 92 -1.210 12.444 -6.892 800 H SER 93 H SER 93 -4.876 13.007 -6.588 801 HA SER 93 HA SER 93 -4.399 14.520 -4.308 802 HB2 SER 93 2HB SER 93 -7.138 13.895 -5.479 803 HB3 SER 93 3HB SER 93 -6.710 15.298 -4.488 804 HG SER 93 HG SER 93 -5.983 14.686 -7.137 805 H ASN 94 H ASN 94 -5.851 11.333 -4.514 806 HA ASN 94 HA ASN 94 -7.033 11.299 -1.878 807 HB2 ASN 94 2HB ASN 94 -6.300 8.921 -3.652 808 HB3 ASN 94 3HB ASN 94 -7.409 8.897 -2.280 809 HD21 ASN 94 1HD2 ASN 94 -8.013 8.044 -4.925 810 HD22 ASN 94 2HD2 ASN 94 -9.261 9.066 -5.544 811 H VAL 95 H VAL 95 -3.839 10.913 -3.068 812 HA VAL 95 HA VAL 95 -2.919 9.042 -1.003 813 HB VAL 95 HB VAL 95 -1.402 10.284 -3.367 814 HG11 VAL 95 1HG1 VAL 95 0.112 9.496 -1.601 815 HG12 VAL 95 2HG1 VAL 95 0.238 8.480 -3.036 816 HG13 VAL 95 3HG1 VAL 95 -0.653 7.903 -1.626 817 HG21 VAL 95 3HG2 VAL 95 -1.755 8.141 -4.553 818 HG22 VAL 95 1HG2 VAL 95 -3.288 8.936 -4.188 819 HG23 VAL 95 2HG2 VAL 95 -2.757 7.557 -3.221 820 H THR 96 H THR 96 -2.512 10.065 0.931 821 HA THR 96 HA THR 96 -1.009 12.631 0.936 822 HB THR 96 HB THR 96 -3.296 11.907 2.846 823 HG1 THR 96 HG1 THR 96 -4.378 12.316 1.022 824 HG21 THR 96 3HG2 THR 96 -1.690 13.534 3.787 825 HG22 THR 96 1HG2 THR 96 -3.245 14.293 3.442 826 HG23 THR 96 2HG2 THR 96 -1.878 14.558 2.359 827 H TRP 97 H TRP 97 0.941 12.211 1.839 828 HA TRP 97 HA TRP 97 1.341 10.154 3.885 829 HB2 TRP 97 2HB TRP 97 3.245 11.964 2.330 830 HB3 TRP 97 3HB TRP 97 3.799 11.014 3.703 831 HD1 TRP 97 HD1 TRP 97 2.420 10.507 0.114 832 HE1 TRP 97 HE1 TRP 97 3.127 8.165 -0.687 833 HE3 TRP 97 HE3 TRP 97 4.514 8.738 4.445 834 HZ2 TRP 97 HZ2 TRP 97 4.413 5.876 0.363 835 HZ3 TRP 97 HZ3 TRP 97 5.464 6.462 4.461 836 HH2 TRP 97 HH2 TRP 97 5.413 5.059 2.456 837 H ASP 98 H ASP 98 1.047 10.613 5.967 838 HA ASP 98 HA ASP 98 2.223 13.040 7.155 839 HB2 ASP 98 2HB ASP 98 -0.566 11.940 7.770 840 HB3 ASP 98 3HB ASP 98 0.285 13.053 8.837 841 H GLY 99 H GLY 99 3.813 12.299 8.391 842 HA2 GLY 99 2HA GLY 99 4.946 11.197 10.056 843 HA3 GLY 99 3HA GLY 99 3.390 10.672 10.666 844 H ASP 100 H ASP 100 4.962 9.955 7.566 845 HA ASP 100 HA ASP 100 5.592 8.102 6.475 846 HB2 ASP 100 2HB ASP 100 6.180 7.145 9.312 847 HB3 ASP 100 3HB ASP 100 6.524 6.151 7.902 848 H THR 101 H THR 101 2.798 8.452 7.579 849 HA THR 101 HA THR 101 1.771 5.749 6.926 850 HB THR 101 HB THR 101 0.350 7.942 8.529 851 HG1 THR 101 HG1 THR 101 2.195 6.983 9.624 852 HG21 THR 101 3HG2 THR 101 -1.243 6.164 9.139 853 HG22 THR 101 1HG2 THR 101 -0.357 4.994 8.159 854 HG23 THR 101 2HG2 THR 101 -1.189 6.348 7.387 855 H VAL 102 H VAL 102 0.877 5.760 4.900 856 HA VAL 102 HA VAL 102 0.045 8.346 3.738 857 HB VAL 102 HB VAL 102 1.686 7.165 2.397 858 HG11 VAL 102 1HG1 VAL 102 -0.232 4.840 2.226 859 HG12 VAL 102 2HG1 VAL 102 1.326 4.862 3.050 860 HG13 VAL 102 3HG1 VAL 102 1.258 5.013 1.294 861 HG21 VAL 102 3HG2 VAL 102 -1.045 7.120 1.077 862 HG22 VAL 102 1HG2 VAL 102 0.503 7.140 0.225 863 HG23 VAL 102 2HG2 VAL 102 0.022 8.516 1.219 864 H THR 103 H THR 103 -2.006 8.779 3.893 865 HA THR 103 HA THR 103 -4.051 6.717 4.230 866 HB THR 103 HB THR 103 -4.246 9.768 4.448 867 HG1 THR 103 HG1 THR 103 -3.061 9.233 6.179 868 HG21 THR 103 3HG2 THR 103 -6.354 9.335 5.626 869 HG22 THR 103 1HG2 THR 103 -6.169 7.597 5.373 870 HG23 THR 103 2HG2 THR 103 -6.420 8.673 3.995 871 H VAL 104 H VAL 104 -5.063 6.070 2.449 872 HA VAL 104 HA VAL 104 -5.418 7.862 0.123 873 HB VAL 104 HB VAL 104 -4.755 4.868 -0.036 874 HG11 VAL 104 1HG1 VAL 104 -4.587 5.231 -2.480 875 HG12 VAL 104 2HG1 VAL 104 -5.098 6.910 -2.276 876 HG13 VAL 104 3HG1 VAL 104 -6.208 5.596 -1.881 877 HG21 VAL 104 3HG2 VAL 104 -2.585 5.538 -0.984 878 HG22 VAL 104 1HG2 VAL 104 -2.777 6.143 0.659 879 HG23 VAL 104 2HG2 VAL 104 -2.969 7.236 -0.713 880 H GLU 105 H GLU 105 -7.561 8.228 0.041 881 HA GLU 105 HA GLU 105 -9.474 6.147 0.728 882 HB2 GLU 105 2HB GLU 105 -9.765 9.026 -0.179 883 HB3 GLU 105 3HB GLU 105 -11.150 7.940 -0.186 884 HG2 GLU 105 2HG GLU 105 -11.105 9.323 1.839 885 HG3 GLU 105 3HG GLU 105 -10.971 7.609 2.218 886 H GLY 106 H GLY 106 -9.742 4.573 -0.631 887 HA2 GLY 106 2HA GLY 106 -9.482 4.959 -3.555 888 HA3 GLY 106 3HA GLY 106 -9.338 3.433 -2.683 889 H GLN 107 H GLN 107 -11.136 4.145 -4.907 890 HA GLN 107 HA GLN 107 -13.727 3.643 -3.570 891 HB2 GLN 107 2HB GLN 107 -14.821 5.206 -5.166 892 HB3 GLN 107 3HB GLN 107 -13.734 6.003 -4.040 893 HG2 GLN 107 2HG GLN 107 -12.021 6.172 -5.825 894 HG3 GLN 107 3HG GLN 107 -13.138 5.394 -6.949 895 HE21 GLN 107 1HE2 GLN 107 -14.994 6.557 -7.638 896 HE22 GLN 107 2HE2 GLN 107 -15.094 8.277 -7.495 897 H LEU 108 H LEU 108 -15.125 2.382 -4.618 898 HA LEU 108 HA LEU 108 -14.626 1.374 -7.286 899 HB2 LEU 108 2HB LEU 108 -14.721 -1.034 -6.609 900 HB3 LEU 108 3HB LEU 108 -13.261 -0.224 -6.111 901 HG LEU 108 HG LEU 108 -13.909 -1.842 -4.438 902 HD11 LEU 108 1HD1 LEU 108 -13.961 -0.517 -2.395 903 HD12 LEU 108 2HD1 LEU 108 -14.404 0.918 -3.322 904 HD13 LEU 108 3HD1 LEU 108 -12.834 0.157 -3.578 905 HD21 LEU 108 3HD2 LEU 108 -15.963 -1.809 -3.135 906 HD22 LEU 108 1HD2 LEU 108 -16.324 -2.016 -4.849 907 HD23 LEU 108 2HD2 LEU 108 -16.581 -0.449 -4.076 908 H GLU 109 H GLU 109 -16.420 0.259 -8.172 909 HA GLU 109 HA GLU 109 -19.020 0.794 -6.904 910 HB2 GLU 109 2HB GLU 109 -18.636 1.402 -9.290 911 HB3 GLU 109 3HB GLU 109 -18.298 -0.283 -9.672 912 HG2 GLU 109 2HG GLU 109 -20.551 0.356 -10.375 913 HG3 GLU 109 3HG GLU 109 -20.600 -0.890 -9.131 914 H GLY 110 H GLY 110 -16.774 -1.758 -7.566 915 HA2 GLY 110 2HA GLY 110 -16.699 -3.881 -6.636 916 HA3 GLY 110 3HA GLY 110 -18.387 -3.757 -6.173 917 H VAL 111 H VAL 111 -19.851 -3.452 -8.196 918 HA VAL 111 HA VAL 111 -19.504 -5.707 -9.986 919 HB VAL 111 HB VAL 111 -21.703 -5.070 -10.907 920 HG11 VAL 111 1HG1 VAL 111 -23.072 -5.377 -8.870 921 HG12 VAL 111 2HG1 VAL 111 -21.677 -4.984 -7.859 922 HG13 VAL 111 3HG1 VAL 111 -21.662 -6.434 -8.867 923 HG21 VAL 111 3HG2 VAL 111 -22.989 -3.143 -10.035 924 HG22 VAL 111 1HG2 VAL 111 -21.517 -2.617 -10.853 925 HG23 VAL 111 2HG2 VAL 111 -21.590 -2.623 -9.089 926 H ASP 112 H ASP 112 -19.543 -5.507 -12.341 927 HA ASP 112 HA ASP 112 -17.554 -3.723 -13.295 928 HB2 ASP 112 2HB ASP 112 -18.192 -6.091 -14.167 929 HB3 ASP 112 3HB ASP 112 -19.431 -5.287 -15.120 930 H LEU 113 H LEU 113 -17.711 -2.024 -14.825 931 HA LEU 113 HA LEU 113 -19.923 -0.249 -14.221 932 HB2 LEU 113 2HB LEU 113 -17.351 0.243 -15.762 933 HB3 LEU 113 3HB LEU 113 -18.486 1.486 -15.260 934 HG LEU 113 HG LEU 113 -16.837 -0.258 -13.380 935 HD11 LEU 113 1HD1 LEU 113 -15.450 1.365 -14.579 936 HD12 LEU 113 2HD1 LEU 113 -15.583 1.788 -12.876 937 HD13 LEU 113 3HD1 LEU 113 -16.516 2.682 -14.080 938 HD21 LEU 113 3HD2 LEU 113 -17.652 1.227 -11.588 939 HD22 LEU 113 1HD2 LEU 113 -18.966 0.329 -12.349 940 HD23 LEU 113 2HD2 LEU 113 -18.721 2.033 -12.737 941 H GLU 114 H GLU 114 -19.330 -2.384 -16.809 942 HA GLU 114 HA GLU 114 -20.767 -0.806 -18.814 943 HB2 GLU 114 2HB GLU 114 -20.519 -2.818 -20.268 944 HB3 GLU 114 3HB GLU 114 -19.001 -2.182 -19.666 945 HG2 GLU 114 2HG GLU 114 -18.755 -4.518 -19.594 946 HG3 GLU 114 3HG GLU 114 -19.035 -4.035 -17.927 947 H HIS 115 H HIS 115 -22.439 -2.836 -19.969 948 HA HIS 115 HA HIS 115 -24.806 -2.601 -18.384 949 HB2 HIS 115 2HB HIS 115 -24.306 -4.463 -20.752 950 HB3 HIS 115 3HB HIS 115 -25.878 -4.018 -20.101 951 HD1 HIS 115 HD1 HIS 115 -26.879 -1.789 -20.880 952 HD2 HIS 115 HD2 HIS 115 -23.050 -2.458 -22.356 953 HE1 HIS 115 HE1 HIS 115 -26.539 -0.073 -22.679 954 HE2 HIS 115 HE2 HIS 115 -24.234 -0.512 -23.573 955 H HIS 116 H HIS 116 -24.153 -3.542 -16.342 956 HA HIS 116 HA HIS 116 -22.933 -6.144 -16.234 957 HB2 HIS 116 2HB HIS 116 -22.306 -4.390 -14.629 958 HB3 HIS 116 3HB HIS 116 -23.946 -4.350 -13.986 959 HD1 HIS 116 HD1 HIS 116 -24.555 -6.097 -12.239 960 HD2 HIS 116 HD2 HIS 116 -20.840 -6.778 -13.978 961 HE1 HIS 116 HE1 HIS 116 -23.542 -7.993 -10.946 962 HE2 HIS 116 HE2 HIS 116 -21.344 -8.440 -12.067 963 H HIS 117 H HIS 117 -23.972 -7.980 -16.331 964 HA HIS 117 HA HIS 117 -26.712 -8.337 -15.306 965 HB2 HIS 117 2HB HIS 117 -24.857 -10.187 -16.887 966 HB3 HIS 117 3HB HIS 117 -26.427 -10.682 -16.265 967 HD1 HIS 117 HD1 HIS 117 -27.753 -10.977 -18.354 968 HD2 HIS 117 HD2 HIS 117 -25.713 -7.363 -18.340 969 HE1 HIS 117 HE1 HIS 117 -28.508 -9.779 -20.418 970 HE2 HIS 117 HE2 HIS 117 -27.066 -7.731 -20.502 971 H HIS 118 H HIS 118 -26.820 -8.841 -13.135 972 HA HIS 118 HA HIS 118 -24.685 -10.287 -11.802 973 HB2 HIS 118 2HB HIS 118 -26.047 -8.601 -10.555 974 HB3 HIS 118 3HB HIS 118 -27.471 -9.624 -10.742 975 HD1 HIS 118 HD1 HIS 118 -27.900 -10.688 -8.508 976 HD2 HIS 118 HD2 HIS 118 -23.834 -10.511 -9.361 977 HE1 HIS 118 HE1 HIS 118 -26.758 -11.855 -6.597 978 HE2 HIS 118 HE2 HIS 118 -24.331 -11.891 -7.232 979 H HIS 119 H HIS 119 -24.467 -12.276 -12.710 980 HA HIS 119 HA HIS 119 -26.672 -13.858 -13.634 981 HB2 HIS 119 2HB HIS 119 -25.049 -15.484 -14.340 982 HB3 HIS 119 3HB HIS 119 -24.339 -13.904 -14.637 983 HD1 HIS 119 HD1 HIS 119 -23.976 -16.952 -12.460 984 HD2 HIS 119 HD2 HIS 119 -21.998 -13.357 -13.153 985 HE1 HIS 119 HE1 HIS 119 -21.747 -17.167 -11.319 986 HE2 HIS 119 HE2 HIS 119 -20.533 -15.034 -11.857 987 H HIS 120 H HIS 120 -27.159 -16.023 -12.930 988 HA HIS 120 HA HIS 120 -26.651 -16.584 -10.060 989 HB2 HIS 120 2HB HIS 120 -29.021 -15.964 -10.448 990 HB3 HIS 120 3HB HIS 120 -29.170 -17.183 -11.707 991 HD1 HIS 120 HD1 HIS 120 -29.370 -19.647 -10.939 992 HD2 HIS 120 HD2 HIS 120 -29.174 -16.944 -7.790 993 HE1 HIS 120 HE1 HIS 120 -30.065 -20.935 -8.909 994 HE2 HIS 120 HE2 HIS 120 -29.782 -19.333 -6.997 Start of MODEL 6 1 H1 MET 1 1H MET 1 22.518 -3.805 -4.657 2 H2 MET 1 2H MET 1 22.849 -2.891 -6.043 3 H3 MET 1 3H MET 1 21.278 -3.424 -5.740 4 HA MET 1 HA MET 1 22.782 -1.537 -4.040 5 HB2 MET 1 2HB MET 1 22.161 -0.576 -6.274 6 HB3 MET 1 3HB MET 1 20.480 -0.988 -5.974 7 HG2 MET 1 2HG MET 1 22.066 0.919 -4.241 8 HG3 MET 1 3HG MET 1 21.071 1.429 -5.599 9 HE1 MET 1 3HE MET 1 20.106 3.070 -3.556 10 HE2 MET 1 1HE MET 1 20.948 2.168 -2.292 11 HE3 MET 1 2HE MET 1 19.207 2.430 -2.182 12 H SER 2 H SER 2 19.405 -2.461 -4.894 13 HA SER 2 HA SER 2 18.557 -2.157 -2.122 14 HB2 SER 2 2HB SER 2 16.260 -2.604 -3.135 15 HB3 SER 2 3HB SER 2 17.095 -1.201 -3.796 16 HG SER 2 HG SER 2 17.091 -3.778 -4.983 17 H GLY 3 H GLY 3 17.970 -3.823 -0.784 18 HA2 GLY 3 2HA GLY 3 17.498 -6.538 -1.656 19 HA3 GLY 3 3HA GLY 3 19.059 -6.334 -0.855 20 H LYS 4 H LYS 4 15.756 -5.159 -0.437 21 HA LYS 4 HA LYS 4 15.924 -5.677 2.469 22 HB2 LYS 4 2HB LYS 4 14.488 -3.474 0.938 23 HB3 LYS 4 3HB LYS 4 14.159 -3.814 2.629 24 HG2 LYS 4 2HG LYS 4 16.930 -3.069 1.638 25 HG3 LYS 4 3HG LYS 4 15.730 -1.865 2.097 26 HD2 LYS 4 2HD LYS 4 17.025 -2.094 4.043 27 HD3 LYS 4 3HD LYS 4 15.621 -3.099 4.378 28 HE2 LYS 4 2HE LYS 4 17.669 -4.199 5.133 29 HE3 LYS 4 3HE LYS 4 16.958 -5.114 3.805 30 HZ1 LYS 4 3HZ LYS 4 19.358 -4.887 3.588 31 HZ2 LYS 4 1HZ LYS 4 19.216 -3.203 3.565 32 HZ3 LYS 4 2HZ LYS 4 18.564 -4.125 2.307 33 H LYS 5 H LYS 5 14.565 -7.156 3.232 34 HA LYS 5 HA LYS 5 12.034 -7.783 1.923 35 HB2 LYS 5 2HB LYS 5 13.339 -9.580 3.073 36 HB3 LYS 5 3HB LYS 5 13.184 -8.709 4.597 37 HG2 LYS 5 2HG LYS 5 10.664 -8.939 4.374 38 HG3 LYS 5 3HG LYS 5 10.946 -9.976 2.978 39 HD2 LYS 5 2HD LYS 5 10.547 -11.421 4.836 40 HD3 LYS 5 3HD LYS 5 12.276 -11.510 4.506 41 HE2 LYS 5 2HE LYS 5 11.074 -9.735 6.658 42 HE3 LYS 5 3HE LYS 5 11.626 -11.380 6.955 43 HZ1 LYS 5 3HZ LYS 5 13.319 -9.860 7.583 44 HZ2 LYS 5 1HZ LYS 5 13.302 -9.094 6.076 45 HZ3 LYS 5 2HZ LYS 5 13.847 -10.686 6.212 46 H VAL 6 H VAL 6 10.591 -6.183 2.112 47 HA VAL 6 HA VAL 6 10.439 -4.513 4.541 48 HB VAL 6 HB VAL 6 10.565 -3.190 2.501 49 HG11 VAL 6 1HG1 VAL 6 9.844 -4.906 0.877 50 HG12 VAL 6 2HG1 VAL 6 8.990 -3.381 0.629 51 HG13 VAL 6 3HG1 VAL 6 8.176 -4.731 1.428 52 HG21 VAL 6 3HG2 VAL 6 7.677 -3.191 3.443 53 HG22 VAL 6 1HG2 VAL 6 8.499 -1.876 2.596 54 HG23 VAL 6 2HG2 VAL 6 9.013 -2.338 4.219 55 H GLU 7 H GLU 7 8.560 -4.417 5.752 56 HA GLU 7 HA GLU 7 6.474 -6.447 5.184 57 HB2 GLU 7 2HB GLU 7 7.274 -5.167 7.834 58 HB3 GLU 7 3HB GLU 7 5.970 -6.333 7.619 59 HG2 GLU 7 2HG GLU 7 7.600 -8.035 6.868 60 HG3 GLU 7 3HG GLU 7 8.903 -6.864 7.056 61 H VAL 8 H VAL 8 4.806 -5.581 4.279 62 HA VAL 8 HA VAL 8 4.126 -2.728 4.545 63 HB VAL 8 HB VAL 8 3.340 -4.800 2.428 64 HG11 VAL 8 1HG1 VAL 8 2.708 -1.825 2.469 65 HG12 VAL 8 2HG1 VAL 8 1.543 -3.129 2.710 66 HG13 VAL 8 3HG1 VAL 8 2.348 -2.945 1.152 67 HG21 VAL 8 3HG2 VAL 8 5.715 -4.130 2.309 68 HG22 VAL 8 1HG2 VAL 8 5.241 -2.429 2.229 69 HG23 VAL 8 2HG2 VAL 8 4.816 -3.530 0.915 70 H GLN 9 H GLN 9 2.490 -2.286 5.891 71 HA GLN 9 HA GLN 9 0.568 -4.365 6.705 72 HB2 GLN 9 2HB GLN 9 1.022 -1.599 7.932 73 HB3 GLN 9 3HB GLN 9 0.090 -2.925 8.623 74 HG2 GLN 9 2HG GLN 9 2.213 -4.240 8.835 75 HG3 GLN 9 3HG GLN 9 3.099 -2.834 8.250 76 HE21 GLN 9 1HE2 GLN 9 1.318 -4.184 10.931 77 HE22 GLN 9 2HE2 GLN 9 1.783 -2.995 12.097 78 H VAL 10 H VAL 10 -1.031 -4.361 5.164 79 HA VAL 10 HA VAL 10 -2.116 -1.819 4.159 80 HB VAL 10 HB VAL 10 -2.721 -4.685 3.276 81 HG11 VAL 10 1HG1 VAL 10 -3.669 -2.062 2.051 82 HG12 VAL 10 2HG1 VAL 10 -4.677 -3.229 2.909 83 HG13 VAL 10 3HG1 VAL 10 -3.937 -3.673 1.371 84 HG21 VAL 10 3HG2 VAL 10 -0.443 -3.999 2.678 85 HG22 VAL 10 1HG2 VAL 10 -1.052 -2.512 1.945 86 HG23 VAL 10 2HG2 VAL 10 -1.443 -4.076 1.226 87 H LYS 11 H LYS 11 -3.524 -0.945 5.442 88 HA LYS 11 HA LYS 11 -5.485 -2.522 7.004 89 HB2 LYS 11 2HB LYS 11 -3.922 -1.080 8.308 90 HB3 LYS 11 3HB LYS 11 -4.396 0.320 7.359 91 HG2 LYS 11 2HG LYS 11 -6.686 0.165 8.279 92 HG3 LYS 11 3HG LYS 11 -6.204 -1.236 9.238 93 HD2 LYS 11 2HD LYS 11 -5.089 1.586 9.496 94 HD3 LYS 11 3HD LYS 11 -6.215 0.812 10.611 95 HE2 LYS 11 2HE LYS 11 -4.481 -0.875 11.168 96 HE3 LYS 11 3HE LYS 11 -3.353 -0.070 10.074 97 HZ1 LYS 11 3HZ LYS 11 -3.483 1.907 11.455 98 HZ2 LYS 11 1HZ LYS 11 -3.004 0.576 12.381 99 HZ3 LYS 11 2HZ LYS 11 -4.587 1.153 12.482 100 H ILE 12 H ILE 12 -7.680 -2.152 6.520 101 HA ILE 12 HA ILE 12 -8.411 0.249 4.990 102 HB ILE 12 HB ILE 12 -8.033 -1.401 3.231 103 HG12 ILE 12 2HG1 ILE 12 -11.019 -0.899 3.647 104 HG13 ILE 12 3HG1 ILE 12 -9.880 0.204 2.885 105 HG21 ILE 12 1HG2 ILE 12 -10.064 -3.191 4.587 106 HG22 ILE 12 2HG2 ILE 12 -8.327 -3.472 4.513 107 HG23 ILE 12 3HG2 ILE 12 -9.288 -3.498 3.033 108 HD11 ILE 12 3HD1 ILE 12 -11.246 -0.926 1.237 109 HD12 ILE 12 1HD1 ILE 12 -10.698 -2.498 1.815 110 HD13 ILE 12 2HD1 ILE 12 -9.555 -1.387 1.057 111 H THR 13 H THR 13 -10.323 1.110 5.586 112 HA THR 13 HA THR 13 -12.052 -0.352 7.482 113 HB THR 13 HB THR 13 -12.059 2.626 6.786 114 HG1 THR 13 HG1 THR 13 -10.524 1.102 8.535 115 HG21 THR 13 3HG2 THR 13 -14.214 1.841 7.736 116 HG22 THR 13 1HG2 THR 13 -13.355 2.863 8.892 117 HG23 THR 13 2HG2 THR 13 -13.356 1.110 9.093 118 H CYS 14 H CYS 14 -13.855 -1.244 6.668 119 HA CYS 14 HA CYS 14 -15.529 -0.021 4.649 120 HB2 CYS 14 2HB CYS 14 -14.190 -1.066 3.009 121 HB3 CYS 14 3HB CYS 14 -13.812 -2.434 4.041 122 H ASN 15 H ASN 15 -17.594 -0.662 4.896 123 HA ASN 15 HA ASN 15 -19.498 -1.644 5.556 124 HB2 ASN 15 2HB ASN 15 -18.625 -3.832 4.925 125 HB3 ASN 15 3HB ASN 15 -17.761 -3.977 6.449 126 HD21 ASN 15 1HD2 ASN 15 -21.105 -2.804 6.088 127 HD22 ASN 15 2HD2 ASN 15 -21.832 -4.130 6.920 128 H GLY 16 H GLY 16 -16.942 -1.853 7.976 129 HA2 GLY 16 2HA GLY 16 -17.761 -0.295 9.978 130 HA3 GLY 16 3HA GLY 16 -18.763 -1.726 10.246 131 H LYS 17 H LYS 17 -15.938 -2.709 8.777 132 HA LYS 17 HA LYS 17 -14.592 -3.351 11.335 133 HB2 LYS 17 2HB LYS 17 -14.673 -5.050 8.795 134 HB3 LYS 17 3HB LYS 17 -13.876 -5.470 10.309 135 HG2 LYS 17 2HG LYS 17 -16.134 -5.495 11.424 136 HG3 LYS 17 3HG LYS 17 -16.864 -5.211 9.842 137 HD2 LYS 17 2HD LYS 17 -16.969 -7.598 10.389 138 HD3 LYS 17 3HD LYS 17 -15.886 -7.349 9.016 139 HE2 LYS 17 2HE LYS 17 -13.938 -7.510 10.526 140 HE3 LYS 17 3HE LYS 17 -15.019 -7.740 11.901 141 HZ1 LYS 17 3HZ LYS 17 -14.835 -9.562 9.565 142 HZ2 LYS 17 1HZ LYS 17 -15.787 -9.792 10.943 143 HZ3 LYS 17 2HZ LYS 17 -14.100 -9.823 11.064 144 H THR 18 H THR 18 -12.277 -3.714 11.107 145 HA THR 18 HA THR 18 -10.985 -2.186 8.925 146 HB THR 18 HB THR 18 -9.938 -2.522 11.779 147 HG1 THR 18 HG1 THR 18 -11.955 -1.136 11.265 148 HG21 THR 18 3HG2 THR 18 -8.392 -0.695 11.162 149 HG22 THR 18 1HG2 THR 18 -9.064 -0.660 9.534 150 HG23 THR 18 2HG2 THR 18 -8.175 -2.082 10.091 151 H TYR 19 H TYR 19 -9.879 -3.487 7.623 152 HA TYR 19 HA TYR 19 -9.146 -6.231 8.437 153 HB2 TYR 19 2HB TYR 19 -9.300 -5.209 5.562 154 HB3 TYR 19 3HB TYR 19 -9.389 -6.871 6.134 155 HD1 TYR 19 HD2 TYR 19 -11.281 -3.689 5.793 156 HD2 TYR 19 HD1 TYR 19 -11.544 -7.821 6.852 157 HE1 TYR 19 HE2 TYR 19 -13.720 -3.529 5.776 158 HE2 TYR 19 HE1 TYR 19 -14.001 -7.651 6.838 159 HH TYR 19 HH TYR 19 -15.672 -4.856 5.645 160 H GLU 20 H GLU 20 -7.118 -6.047 9.226 161 HA GLU 20 HA GLU 20 -5.031 -4.671 7.655 162 HB2 GLU 20 2HB GLU 20 -4.091 -3.713 9.756 163 HB3 GLU 20 3HB GLU 20 -5.690 -3.085 9.381 164 HG2 GLU 20 2HG GLU 20 -6.680 -4.580 11.086 165 HG3 GLU 20 3HG GLU 20 -5.078 -5.206 11.467 166 H ARG 21 H ARG 21 -2.998 -5.525 7.790 167 HA ARG 21 HA ARG 21 -2.190 -7.588 9.578 168 HB2 ARG 21 2HB ARG 21 -3.702 -8.990 8.255 169 HB3 ARG 21 3HB ARG 21 -2.998 -8.423 6.747 170 HG2 ARG 21 2HG ARG 21 -0.989 -9.668 7.096 171 HG3 ARG 21 3HG ARG 21 -1.379 -9.974 8.789 172 HD2 ARG 21 2HD ARG 21 -2.953 -11.075 6.435 173 HD3 ARG 21 3HD ARG 21 -1.710 -11.969 7.317 174 HE ARG 21 HE ARG 21 -4.215 -10.970 8.560 175 HH11 ARG 21 1HH1 ARG 21 -1.811 -13.517 8.231 176 HH12 ARG 21 2HH1 ARG 21 -2.568 -14.541 9.408 177 HH21 ARG 21 1HH2 ARG 21 -5.158 -12.312 10.141 178 HH22 ARG 21 2HH2 ARG 21 -4.455 -13.861 10.484 179 H THR 22 H THR 22 0.021 -7.940 9.456 180 HA THR 22 HA THR 22 1.604 -6.165 7.773 181 HB THR 22 HB THR 22 2.499 -8.139 9.929 182 HG1 THR 22 HG1 THR 22 2.593 -6.164 11.224 183 HG21 THR 22 3HG2 THR 22 3.944 -5.743 8.732 184 HG22 THR 22 1HG2 THR 22 4.354 -7.440 8.458 185 HG23 THR 22 2HG2 THR 22 4.531 -6.737 10.066 186 H TYR 23 H TYR 23 1.995 -6.899 5.744 187 HA TYR 23 HA TYR 23 2.307 -9.774 5.160 188 HB2 TYR 23 2HB TYR 23 2.069 -7.443 3.185 189 HB3 TYR 23 3HB TYR 23 1.979 -9.159 2.805 190 HD1 TYR 23 HD2 TYR 23 -0.081 -10.469 3.386 191 HD2 TYR 23 HD1 TYR 23 0.145 -6.262 4.107 192 HE1 TYR 23 HE2 TYR 23 -2.527 -10.374 3.675 193 HE2 TYR 23 HE1 TYR 23 -2.280 -6.174 4.394 194 HH TYR 23 HH TYR 23 -4.190 -8.929 4.791 195 H GLN 24 H GLN 24 4.252 -10.593 4.605 196 HA GLN 24 HA GLN 24 6.633 -8.847 4.752 197 HB2 GLN 24 2HB GLN 24 6.361 -11.883 5.028 198 HB3 GLN 24 3HB GLN 24 7.894 -11.021 5.041 199 HG2 GLN 24 2HG GLN 24 7.326 -11.497 7.318 200 HG3 GLN 24 3HG GLN 24 7.120 -9.766 7.072 201 HE21 GLN 24 1HE2 GLN 24 5.677 -9.476 8.766 202 HE22 GLN 24 2HE2 GLN 24 4.075 -10.130 8.766 203 H LEU 25 H LEU 25 7.283 -8.137 2.858 204 HA LEU 25 HA LEU 25 7.092 -9.785 0.404 205 HB2 LEU 25 2HB LEU 25 6.840 -6.746 0.627 206 HB3 LEU 25 3HB LEU 25 6.727 -7.681 -0.854 207 HG LEU 25 HG LEU 25 4.739 -7.736 1.451 208 HD11 LEU 25 1HD1 LEU 25 3.168 -6.686 -0.126 209 HD12 LEU 25 2HD1 LEU 25 4.447 -6.576 -1.338 210 HD13 LEU 25 3HD1 LEU 25 4.580 -5.671 0.171 211 HD21 LEU 25 3HD2 LEU 25 4.854 -9.944 0.431 212 HD22 LEU 25 1HD2 LEU 25 4.645 -9.251 -1.179 213 HD23 LEU 25 2HD2 LEU 25 3.334 -9.163 0.003 214 H TYR 26 H TYR 26 9.180 -10.488 0.094 215 HA TYR 26 HA TYR 26 11.441 -8.622 0.407 216 HB2 TYR 26 2HB TYR 26 11.868 -10.812 1.364 217 HB3 TYR 26 3HB TYR 26 11.358 -11.628 -0.111 218 HD1 TYR 26 HD1 TYR 26 13.943 -9.146 1.074 219 HD2 TYR 26 HD2 TYR 26 13.056 -12.335 -1.633 220 HE1 TYR 26 HE1 TYR 26 16.251 -9.081 0.243 221 HE2 TYR 26 HE2 TYR 26 15.372 -12.274 -2.456 222 HH TYR 26 HH TYR 26 17.245 -10.651 -2.577 223 H ALA 27 H ALA 27 12.663 -7.894 -1.281 224 HA ALA 27 HA ALA 27 12.351 -8.987 -3.972 225 HB1 ALA 27 3HB ALA 27 10.644 -7.207 -3.874 226 HB2 ALA 27 1HB ALA 27 11.950 -6.777 -4.980 227 HB3 ALA 27 2HB ALA 27 11.875 -6.045 -3.376 228 H VAL 28 H VAL 28 14.095 -8.606 -5.266 229 HA VAL 28 HA VAL 28 16.622 -7.804 -4.058 230 HB VAL 28 HB VAL 28 16.005 -8.875 -6.864 231 HG11 VAL 28 1HG1 VAL 28 18.404 -9.427 -7.022 232 HG12 VAL 28 2HG1 VAL 28 18.694 -8.665 -5.456 233 HG13 VAL 28 3HG1 VAL 28 18.153 -7.689 -6.826 234 HG21 VAL 28 3HG2 VAL 28 15.361 -10.515 -5.153 235 HG22 VAL 28 1HG2 VAL 28 16.960 -10.409 -4.408 236 HG23 VAL 28 2HG2 VAL 28 16.782 -11.076 -6.034 237 H ARG 29 H ARG 29 14.195 -6.544 -6.207 238 HA ARG 29 HA ARG 29 15.612 -3.945 -6.303 239 HB2 ARG 29 2HB ARG 29 13.802 -5.020 -8.521 240 HB3 ARG 29 3HB ARG 29 14.628 -3.475 -8.504 241 HG2 ARG 29 2HG ARG 29 16.784 -4.542 -8.770 242 HG3 ARG 29 3HG ARG 29 16.063 -6.142 -8.573 243 HD2 ARG 29 2HD ARG 29 16.518 -5.704 -10.936 244 HD3 ARG 29 3HD ARG 29 14.777 -5.819 -10.666 245 HE ARG 29 HE ARG 29 16.184 -3.212 -10.885 246 HH11 ARG 29 1HH1 ARG 29 13.511 -5.296 -11.868 247 HH12 ARG 29 2HH1 ARG 29 12.761 -4.069 -12.838 248 HH21 ARG 29 1HH2 ARG 29 15.171 -1.625 -12.159 249 HH22 ARG 29 2HH2 ARG 29 13.700 -1.997 -13.001 250 H ASP 30 H ASP 30 14.276 -2.198 -5.723 251 HA ASP 30 HA ASP 30 11.797 -2.657 -4.407 252 HB2 ASP 30 2HB ASP 30 11.607 -0.115 -4.396 253 HB3 ASP 30 3HB ASP 30 13.066 -0.773 -3.670 254 H GLU 31 H GLU 31 12.565 -2.115 -7.753 255 HA GLU 31 HA GLU 31 9.983 -1.456 -8.736 256 HB2 GLU 31 2HB GLU 31 12.364 -2.824 -10.034 257 HB3 GLU 31 3HB GLU 31 10.874 -2.519 -10.916 258 HG2 GLU 31 2HG GLU 31 12.604 -0.388 -9.634 259 HG3 GLU 31 3HG GLU 31 12.626 -0.824 -11.340 260 H GLU 32 H GLU 32 11.460 -4.586 -7.861 261 HA GLU 32 HA GLU 32 9.422 -6.247 -8.982 262 HB2 GLU 32 2HB GLU 32 11.092 -7.015 -6.557 263 HB3 GLU 32 3HB GLU 32 10.347 -8.089 -7.727 264 HG2 GLU 32 2HG GLU 32 12.766 -6.333 -8.101 265 HG3 GLU 32 3HG GLU 32 12.713 -8.087 -8.071 266 H LEU 33 H LEU 33 9.655 -4.379 -6.082 267 HA LEU 33 HA LEU 33 7.712 -5.757 -4.507 268 HB2 LEU 33 2HB LEU 33 9.632 -3.819 -3.990 269 HB3 LEU 33 3HB LEU 33 8.167 -2.868 -3.897 270 HG LEU 33 HG LEU 33 8.844 -3.628 -1.672 271 HD11 LEU 33 1HD1 LEU 33 6.438 -3.397 -2.023 272 HD12 LEU 33 2HD1 LEU 33 6.799 -4.664 -0.855 273 HD13 LEU 33 3HD1 LEU 33 6.328 -5.094 -2.502 274 HD21 LEU 33 3HD2 LEU 33 8.603 -6.470 -2.709 275 HD22 LEU 33 1HD2 LEU 33 8.887 -6.004 -1.028 276 HD23 LEU 33 2HD2 LEU 33 10.090 -5.638 -2.257 277 H LYS 34 H LYS 34 7.497 -3.383 -7.040 278 HA LYS 34 HA LYS 34 5.134 -2.016 -6.458 279 HB2 LYS 34 2HB LYS 34 6.272 -2.777 -9.180 280 HB3 LYS 34 3HB LYS 34 5.006 -1.576 -8.922 281 HG2 LYS 34 2HG LYS 34 6.517 -0.133 -7.712 282 HG3 LYS 34 3HG LYS 34 7.770 -1.377 -7.701 283 HD2 LYS 34 2HD LYS 34 8.299 0.313 -9.371 284 HD3 LYS 34 3HD LYS 34 7.949 -1.223 -10.158 285 HE2 LYS 34 2HE LYS 34 5.670 -0.400 -10.698 286 HE3 LYS 34 3HE LYS 34 6.072 1.146 -9.947 287 HZ1 LYS 34 3HZ LYS 34 7.390 -0.046 -12.328 288 HZ2 LYS 34 1HZ LYS 34 7.876 1.387 -11.573 289 HZ3 LYS 34 2HZ LYS 34 6.357 1.294 -12.310 290 H GLU 35 H GLU 35 5.501 -4.950 -8.510 291 HA GLU 35 HA GLU 35 2.782 -5.366 -9.068 292 HB2 GLU 35 2HB GLU 35 3.410 -7.639 -9.756 293 HB3 GLU 35 3HB GLU 35 4.594 -6.472 -10.337 294 HG2 GLU 35 2HG GLU 35 6.149 -7.105 -8.563 295 HG3 GLU 35 3HG GLU 35 4.963 -8.206 -7.871 296 H LYS 36 H LYS 36 4.750 -6.360 -6.326 297 HA LYS 36 HA LYS 36 3.018 -8.305 -5.206 298 HB2 LYS 36 2HB LYS 36 5.079 -6.581 -3.751 299 HB3 LYS 36 3HB LYS 36 4.390 -8.096 -3.167 300 HG2 LYS 36 2HG LYS 36 5.474 -9.322 -4.999 301 HG3 LYS 36 3HG LYS 36 6.123 -7.809 -5.640 302 HD2 LYS 36 2HD LYS 36 7.387 -7.505 -3.480 303 HD3 LYS 36 3HD LYS 36 6.825 -9.103 -2.972 304 HE2 LYS 36 2HE LYS 36 8.510 -8.524 -5.433 305 HE3 LYS 36 3HE LYS 36 9.111 -9.171 -3.910 306 HZ1 LYS 36 3HZ LYS 36 7.180 -10.486 -5.735 307 HZ2 LYS 36 1HZ LYS 36 7.651 -11.095 -4.230 308 HZ3 LYS 36 2HZ LYS 36 8.786 -10.941 -5.473 309 H LEU 37 H LEU 37 3.520 -4.850 -4.584 310 HA LEU 37 HA LEU 37 1.662 -4.403 -2.541 311 HB2 LEU 37 2HB LEU 37 2.616 -2.554 -4.765 312 HB3 LEU 37 3HB LEU 37 1.680 -2.009 -3.379 313 HG LEU 37 HG LEU 37 4.394 -3.347 -3.118 314 HD11 LEU 37 1HD1 LEU 37 4.647 -1.294 -4.397 315 HD12 LEU 37 2HD1 LEU 37 5.340 -1.120 -2.788 316 HD13 LEU 37 3HD1 LEU 37 3.778 -0.387 -3.157 317 HD21 LEU 37 3HD2 LEU 37 3.029 -3.485 -1.094 318 HD22 LEU 37 1HD2 LEU 37 2.758 -1.739 -1.128 319 HD23 LEU 37 2HD2 LEU 37 4.379 -2.383 -0.855 320 H LYS 38 H LYS 38 1.282 -4.131 -6.098 321 HA LYS 38 HA LYS 38 -1.393 -3.335 -6.220 322 HB2 LYS 38 2HB LYS 38 0.222 -5.029 -8.170 323 HB3 LYS 38 3HB LYS 38 -1.338 -4.301 -8.547 324 HG2 LYS 38 2HG LYS 38 -0.421 -2.063 -8.330 325 HG3 LYS 38 3HG LYS 38 1.116 -2.706 -7.741 326 HD2 LYS 38 2HD LYS 38 1.312 -2.049 -10.104 327 HD3 LYS 38 3HD LYS 38 1.513 -3.794 -9.929 328 HE2 LYS 38 2HE LYS 38 -0.914 -4.054 -10.584 329 HE3 LYS 38 3HE LYS 38 -0.949 -2.323 -10.925 330 HZ1 LYS 38 3HZ LYS 38 0.785 -4.331 -12.265 331 HZ2 LYS 38 1HZ LYS 38 0.811 -2.672 -12.560 332 HZ3 LYS 38 2HZ LYS 38 -0.569 -3.568 -12.932 333 H LYS 39 H LYS 39 0.015 -6.595 -6.106 334 HA LYS 39 HA LYS 39 -2.425 -8.034 -6.440 335 HB2 LYS 39 2HB LYS 39 0.333 -8.863 -5.470 336 HB3 LYS 39 3HB LYS 39 -0.996 -10.009 -5.615 337 HG2 LYS 39 2HG LYS 39 0.111 -8.356 -7.904 338 HG3 LYS 39 3HG LYS 39 0.554 -10.030 -7.562 339 HD2 LYS 39 2HD LYS 39 -1.747 -10.767 -7.977 340 HD3 LYS 39 3HD LYS 39 -2.278 -9.095 -8.197 341 HE2 LYS 39 2HE LYS 39 -0.254 -10.514 -9.969 342 HE3 LYS 39 3HE LYS 39 -1.967 -10.306 -10.347 343 HZ1 LYS 39 3HZ LYS 39 -1.674 -7.927 -10.286 344 HZ2 LYS 39 1HZ LYS 39 -0.614 -8.616 -11.399 345 HZ3 LYS 39 2HZ LYS 39 -0.038 -8.098 -9.902 346 H VAL 40 H VAL 40 -0.523 -7.194 -3.507 347 HA VAL 40 HA VAL 40 -2.174 -8.461 -1.593 348 HB VAL 40 HB VAL 40 -0.396 -5.983 -1.258 349 HG11 VAL 40 1HG1 VAL 40 -2.052 -6.078 0.557 350 HG12 VAL 40 2HG1 VAL 40 -0.443 -6.453 1.170 351 HG13 VAL 40 3HG1 VAL 40 -1.608 -7.752 0.901 352 HG21 VAL 40 3HG2 VAL 40 0.197 -8.887 -0.568 353 HG22 VAL 40 1HG2 VAL 40 1.279 -7.512 -0.311 354 HG23 VAL 40 2HG2 VAL 40 0.854 -8.010 -1.948 355 H LEU 41 H LEU 41 -2.213 -5.210 -3.001 356 HA LEU 41 HA LEU 41 -4.304 -4.118 -1.441 357 HB2 LEU 41 2HB LEU 41 -3.029 -3.327 -4.080 358 HB3 LEU 41 3HB LEU 41 -4.455 -2.472 -3.509 359 HG LEU 41 HG LEU 41 -1.910 -2.723 -1.854 360 HD11 LEU 41 1HD1 LEU 41 -2.746 -0.369 -3.568 361 HD12 LEU 41 2HD1 LEU 41 -1.421 -1.477 -3.919 362 HD13 LEU 41 3HD1 LEU 41 -1.345 -0.443 -2.494 363 HD21 LEU 41 3HD2 LEU 41 -2.874 -0.928 -0.521 364 HD22 LEU 41 1HD2 LEU 41 -3.976 -2.301 -0.575 365 HD23 LEU 41 2HD2 LEU 41 -4.296 -0.868 -1.562 366 H ASN 42 H ASN 42 -4.307 -5.586 -4.718 367 HA ASN 42 HA ASN 42 -7.096 -5.454 -5.142 368 HB2 ASN 42 2HB ASN 42 -4.829 -6.965 -6.447 369 HB3 ASN 42 3HB ASN 42 -6.453 -7.568 -6.744 370 HD21 ASN 42 1HD2 ASN 42 -4.293 -4.851 -7.249 371 HD22 ASN 42 2HD2 ASN 42 -5.229 -4.109 -8.490 372 H GLU 43 H GLU 43 -5.103 -7.874 -3.511 373 HA GLU 43 HA GLU 43 -7.113 -9.882 -3.219 374 HB2 GLU 43 2HB GLU 43 -4.653 -10.283 -3.012 375 HB3 GLU 43 3HB GLU 43 -4.629 -9.374 -1.513 376 HG2 GLU 43 2HG GLU 43 -6.471 -11.733 -1.677 377 HG3 GLU 43 3HG GLU 43 -4.749 -12.063 -1.596 378 H ARG 44 H ARG 44 -6.026 -7.178 -1.206 379 HA ARG 44 HA ARG 44 -7.826 -7.669 0.960 380 HB2 ARG 44 2HB ARG 44 -5.565 -6.442 1.087 381 HB3 ARG 44 3HB ARG 44 -6.369 -5.057 0.369 382 HG2 ARG 44 2HG ARG 44 -6.337 -4.600 2.673 383 HG3 ARG 44 3HG ARG 44 -7.984 -5.142 2.367 384 HD2 ARG 44 2HD ARG 44 -5.762 -6.857 3.552 385 HD3 ARG 44 3HD ARG 44 -7.032 -6.050 4.470 386 HE ARG 44 HE ARG 44 -8.645 -7.543 3.526 387 HH11 ARG 44 1HH1 ARG 44 -5.317 -8.477 2.861 388 HH12 ARG 44 2HH1 ARG 44 -5.726 -10.122 2.482 389 HH21 ARG 44 1HH2 ARG 44 -9.152 -9.717 2.961 390 HH22 ARG 44 2HH2 ARG 44 -7.877 -10.813 2.541 391 H MET 45 H MET 45 -8.028 -5.861 -2.024 392 HA MET 45 HA MET 45 -10.371 -4.296 -1.222 393 HB2 MET 45 2HB MET 45 -8.638 -4.308 -3.725 394 HB3 MET 45 3HB MET 45 -10.123 -3.371 -3.628 395 HG2 MET 45 2HG MET 45 -7.762 -3.021 -1.767 396 HG3 MET 45 3HG MET 45 -8.070 -2.044 -3.202 397 HE1 MET 45 3HE MET 45 -10.158 -0.408 -3.464 398 HE2 MET 45 1HE MET 45 -11.402 -0.220 -2.229 399 HE3 MET 45 2HE MET 45 -11.266 -1.737 -3.116 400 H ASP 46 H ASP 46 -9.753 -7.302 -2.745 401 HA ASP 46 HA ASP 46 -11.851 -7.253 -4.646 402 HB2 ASP 46 2HB ASP 46 -9.864 -8.788 -4.793 403 HB3 ASP 46 3HB ASP 46 -10.585 -9.771 -3.521 404 HA PRO 47 HA PRO 47 -14.576 -9.689 -1.336 405 HB2 PRO 47 2HB PRO 47 -13.935 -9.243 1.324 406 HB3 PRO 47 3HB PRO 47 -13.353 -10.646 0.404 407 HG2 PRO 47 2HG PRO 47 -11.932 -8.051 0.958 408 HG3 PRO 47 3HG PRO 47 -11.319 -9.717 1.107 409 HD2 PRO 47 2HD PRO 47 -10.722 -8.238 -1.042 410 HD3 PRO 47 3HD PRO 47 -11.072 -9.974 -1.214 411 H ILE 48 H ILE 48 -13.107 -6.573 -0.943 412 HA ILE 48 HA ILE 48 -15.130 -5.241 0.582 413 HB ILE 48 HB ILE 48 -12.884 -4.149 -1.166 414 HG12 ILE 48 2HG1 ILE 48 -11.968 -5.543 0.589 415 HG13 ILE 48 3HG1 ILE 48 -11.634 -3.868 0.987 416 HG21 ILE 48 1HG2 ILE 48 -13.061 -2.041 0.092 417 HG22 ILE 48 2HG2 ILE 48 -14.481 -2.659 0.934 418 HG23 ILE 48 3HG2 ILE 48 -14.538 -2.394 -0.808 419 HD11 ILE 48 3HD1 ILE 48 -13.493 -3.937 2.620 420 HD12 ILE 48 1HD1 ILE 48 -12.209 -5.093 2.960 421 HD13 ILE 48 2HD1 ILE 48 -13.720 -5.646 2.243 422 H LYS 49 H LYS 49 -14.541 -5.786 -2.857 423 HA LYS 49 HA LYS 49 -16.493 -3.911 -3.849 424 HB2 LYS 49 2HB LYS 49 -15.116 -6.281 -5.158 425 HB3 LYS 49 3HB LYS 49 -16.219 -5.207 -6.016 426 HG2 LYS 49 2HG LYS 49 -14.717 -3.310 -5.686 427 HG3 LYS 49 3HG LYS 49 -13.641 -4.288 -4.680 428 HD2 LYS 49 2HD LYS 49 -14.227 -4.800 -7.627 429 HD3 LYS 49 3HD LYS 49 -12.771 -4.019 -7.004 430 HE2 LYS 49 2HE LYS 49 -12.084 -6.024 -5.879 431 HE3 LYS 49 3HE LYS 49 -13.625 -6.814 -6.201 432 HZ1 LYS 49 3HZ LYS 49 -11.614 -6.060 -8.245 433 HZ2 LYS 49 1HZ LYS 49 -13.084 -6.834 -8.552 434 HZ3 LYS 49 2HZ LYS 49 -11.886 -7.620 -7.654 435 H LYS 50 H LYS 50 -16.440 -7.374 -3.093 436 HA LYS 50 HA LYS 50 -19.122 -7.953 -3.775 437 HB2 LYS 50 2HB LYS 50 -17.314 -9.630 -3.477 438 HB3 LYS 50 3HB LYS 50 -17.275 -9.308 -1.755 439 HG2 LYS 50 2HG LYS 50 -19.822 -10.300 -3.053 440 HG3 LYS 50 3HG LYS 50 -18.522 -11.432 -2.697 441 HD2 LYS 50 2HD LYS 50 -19.934 -9.672 -0.653 442 HD3 LYS 50 3HD LYS 50 -20.243 -11.389 -0.917 443 HE2 LYS 50 2HE LYS 50 -17.574 -10.236 -0.023 444 HE3 LYS 50 3HE LYS 50 -18.773 -10.959 1.048 445 HZ1 LYS 50 3HZ LYS 50 -16.993 -12.493 0.412 446 HZ2 LYS 50 1HZ LYS 50 -17.467 -12.380 -1.205 447 HZ3 LYS 50 2HZ LYS 50 -18.515 -13.045 -0.060 448 H LEU 51 H LEU 51 -17.649 -6.548 -0.879 449 HA LEU 51 HA LEU 51 -20.031 -6.556 0.755 450 HB2 LEU 51 2HB LEU 51 -17.561 -4.779 0.962 451 HB3 LEU 51 3HB LEU 51 -18.825 -4.890 2.176 452 HG LEU 51 HG LEU 51 -16.843 -7.067 1.414 453 HD11 LEU 51 1HD1 LEU 51 -17.134 -5.484 3.981 454 HD12 LEU 51 2HD1 LEU 51 -15.847 -5.329 2.782 455 HD13 LEU 51 3HD1 LEU 51 -16.005 -6.817 3.711 456 HD21 LEU 51 3HD2 LEU 51 -18.970 -8.133 1.899 457 HD22 LEU 51 1HD2 LEU 51 -19.105 -7.240 3.418 458 HD23 LEU 51 2HD2 LEU 51 -17.826 -8.437 3.203 459 H GLY 52 H GLY 52 -18.546 -4.349 -1.559 460 HA2 GLY 52 2HA GLY 52 -19.469 -2.679 -2.842 461 HA3 GLY 52 3HA GLY 52 -21.018 -2.947 -2.062 462 H CYS 53 H CYS 53 -17.922 -2.138 -0.516 463 HA CYS 53 HA CYS 53 -19.017 0.175 0.828 464 HB2 CYS 53 2HB CYS 53 -16.186 -0.926 0.695 465 HB3 CYS 53 3HB CYS 53 -16.657 0.468 1.668 466 H LYS 54 H LYS 54 -19.353 2.014 -0.253 467 HA LYS 54 HA LYS 54 -18.396 2.572 -2.859 468 HB2 LYS 54 2HB LYS 54 -19.685 4.531 -0.902 469 HB3 LYS 54 3HB LYS 54 -19.628 4.687 -2.656 470 HG2 LYS 54 2HG LYS 54 -21.112 2.517 -1.132 471 HG3 LYS 54 3HG LYS 54 -21.854 3.948 -1.849 472 HD2 LYS 54 2HD LYS 54 -21.389 3.187 -4.079 473 HD3 LYS 54 3HD LYS 54 -20.297 1.928 -3.502 474 HE2 LYS 54 2HE LYS 54 -22.458 0.995 -4.245 475 HE3 LYS 54 3HE LYS 54 -22.183 0.700 -2.528 476 HZ1 LYS 54 3HZ LYS 54 -24.448 1.392 -2.982 477 HZ2 LYS 54 1HZ LYS 54 -23.907 2.848 -3.651 478 HZ3 LYS 54 2HZ LYS 54 -23.665 2.526 -2.007 479 H ARG 55 H ARG 55 -17.645 4.162 0.272 480 HA ARG 55 HA ARG 55 -15.049 5.079 -0.847 481 HB2 ARG 55 2HB ARG 55 -16.479 6.939 -0.034 482 HB3 ARG 55 3HB ARG 55 -16.595 6.181 1.548 483 HG2 ARG 55 2HG ARG 55 -14.188 6.529 1.927 484 HG3 ARG 55 3HG ARG 55 -14.005 7.209 0.308 485 HD2 ARG 55 2HD ARG 55 -15.440 9.109 0.915 486 HD3 ARG 55 3HD ARG 55 -15.733 8.405 2.510 487 HE ARG 55 HE ARG 55 -13.028 8.639 2.445 488 HH11 ARG 55 1HH1 ARG 55 -15.619 10.964 1.839 489 HH12 ARG 55 2HH1 ARG 55 -14.683 12.318 2.392 490 HH21 ARG 55 1HH2 ARG 55 -11.849 10.442 3.221 491 HH22 ARG 55 2HH2 ARG 55 -12.563 12.022 3.167 492 H VAL 56 H VAL 56 -13.234 4.321 0.027 493 HA VAL 56 HA VAL 56 -13.292 2.750 2.537 494 HB VAL 56 HB VAL 56 -11.549 1.247 1.570 495 HG11 VAL 56 1HG1 VAL 56 -14.140 1.295 -0.018 496 HG12 VAL 56 2HG1 VAL 56 -13.875 0.512 1.542 497 HG13 VAL 56 3HG1 VAL 56 -13.035 -0.079 0.108 498 HG21 VAL 56 3HG2 VAL 56 -12.103 2.661 -1.076 499 HG22 VAL 56 1HG2 VAL 56 -11.119 1.207 -0.875 500 HG23 VAL 56 2HG2 VAL 56 -10.600 2.729 -0.152 501 H ARG 57 H ARG 57 -11.538 3.047 3.884 502 HA ARG 57 HA ARG 57 -9.494 5.058 3.117 503 HB2 ARG 57 2HB ARG 57 -10.804 5.764 5.048 504 HB3 ARG 57 3HB ARG 57 -10.562 4.215 5.851 505 HG2 ARG 57 2HG ARG 57 -8.216 4.690 6.217 506 HG3 ARG 57 3HG ARG 57 -8.299 6.135 5.207 507 HD2 ARG 57 2HD ARG 57 -9.848 5.799 7.799 508 HD3 ARG 57 3HD ARG 57 -8.270 6.584 7.679 509 HE ARG 57 HE ARG 57 -10.354 7.635 5.940 510 HH11 ARG 57 1HH1 ARG 57 -8.737 8.009 9.059 511 HH12 ARG 57 2HH1 ARG 57 -9.210 9.673 9.225 512 HH21 ARG 57 1HH2 ARG 57 -10.861 9.828 6.126 513 HH22 ARG 57 2HH2 ARG 57 -10.417 10.705 7.561 514 H ILE 58 H ILE 58 -7.809 3.944 2.303 515 HA ILE 58 HA ILE 58 -6.933 1.389 3.512 516 HB ILE 58 HB ILE 58 -5.960 2.646 0.890 517 HG12 ILE 58 2HG1 ILE 58 -8.071 0.448 1.165 518 HG13 ILE 58 3HG1 ILE 58 -8.423 2.127 0.771 519 HG21 ILE 58 1HG2 ILE 58 -5.670 -0.199 1.942 520 HG22 ILE 58 2HG2 ILE 58 -4.395 1.018 1.886 521 HG23 ILE 58 3HG2 ILE 58 -5.078 0.394 0.386 522 HD11 ILE 58 3HD1 ILE 58 -7.115 1.916 -1.294 523 HD12 ILE 58 1HD1 ILE 58 -8.443 0.761 -1.216 524 HD13 ILE 58 2HD1 ILE 58 -6.794 0.221 -0.911 525 H SER 59 H SER 59 -5.508 1.857 5.178 526 HA SER 59 HA SER 59 -3.483 3.974 4.783 527 HB2 SER 59 2HB SER 59 -5.006 4.080 6.810 528 HB3 SER 59 3HB SER 59 -4.264 2.591 7.393 529 HG SER 59 HG SER 59 -2.927 5.043 6.843 530 H ILE 60 H ILE 60 -1.802 3.067 3.790 531 HA ILE 60 HA ILE 60 -0.798 0.381 4.433 532 HB ILE 60 HB ILE 60 0.034 2.365 2.257 533 HG12 ILE 60 2HG1 ILE 60 -1.661 -0.157 1.962 534 HG13 ILE 60 3HG1 ILE 60 -2.293 1.485 1.966 535 HG21 ILE 60 1HG2 ILE 60 1.283 0.499 1.226 536 HG22 ILE 60 2HG2 ILE 60 0.852 -0.547 2.578 537 HG23 ILE 60 3HG2 ILE 60 1.888 0.854 2.846 538 HD11 ILE 60 3HD1 ILE 60 -2.147 0.672 -0.274 539 HD12 ILE 60 1HD1 ILE 60 -0.437 0.289 -0.084 540 HD13 ILE 60 2HD1 ILE 60 -0.979 1.970 -0.059 541 H ARG 61 H ARG 61 0.608 0.389 6.153 542 HA ARG 61 HA ARG 61 2.547 2.607 6.436 543 HB2 ARG 61 2HB ARG 61 1.234 1.968 8.482 544 HB3 ARG 61 3HB ARG 61 1.920 0.344 8.401 545 HG2 ARG 61 2HG ARG 61 4.177 1.262 8.729 546 HG3 ARG 61 3HG ARG 61 3.524 2.899 8.725 547 HD2 ARG 61 2HD ARG 61 2.172 2.249 10.773 548 HD3 ARG 61 3HD ARG 61 3.107 0.745 10.812 549 HE ARG 61 HE ARG 61 4.783 3.043 10.647 550 HH11 ARG 61 1HH1 ARG 61 2.978 1.149 12.996 551 HH12 ARG 61 2HH1 ARG 61 3.977 1.648 14.322 552 HH21 ARG 61 1HH2 ARG 61 6.054 3.704 12.372 553 HH22 ARG 61 2HH2 ARG 61 5.720 3.097 13.967 554 H VAL 62 H VAL 62 4.511 2.274 5.625 555 HA VAL 62 HA VAL 62 5.297 -0.440 4.793 556 HB VAL 62 HB VAL 62 5.314 1.629 3.191 557 HG11 VAL 62 1HG1 VAL 62 6.489 3.222 4.668 558 HG12 VAL 62 2HG1 VAL 62 7.332 3.007 3.131 559 HG13 VAL 62 3HG1 VAL 62 7.942 2.218 4.589 560 HG21 VAL 62 3HG2 VAL 62 7.270 0.787 1.963 561 HG22 VAL 62 1HG2 VAL 62 6.271 -0.527 2.588 562 HG23 VAL 62 2HG2 VAL 62 7.783 -0.107 3.395 563 H LYS 63 H LYS 63 7.239 -1.390 5.549 564 HA LYS 63 HA LYS 63 8.360 -0.254 8.008 565 HB2 LYS 63 2HB LYS 63 7.604 -2.664 7.880 566 HB3 LYS 63 3HB LYS 63 8.917 -2.972 6.750 567 HG2 LYS 63 2HG LYS 63 10.578 -2.536 8.436 568 HG3 LYS 63 3HG LYS 63 9.364 -1.905 9.555 569 HD2 LYS 63 2HD LYS 63 8.333 -4.149 9.714 570 HD3 LYS 63 3HD LYS 63 9.524 -4.786 8.577 571 HE2 LYS 63 2HE LYS 63 10.197 -3.599 11.288 572 HE3 LYS 63 3HE LYS 63 10.032 -5.324 10.954 573 HZ1 LYS 63 3HZ LYS 63 11.839 -5.091 9.315 574 HZ2 LYS 63 1HZ LYS 63 12.329 -4.713 10.887 575 HZ3 LYS 63 2HZ LYS 63 12.035 -3.479 9.775 576 H HIS 64 H HIS 64 10.595 0.071 8.273 577 HA HIS 64 HA HIS 64 11.967 0.885 5.764 578 HB2 HIS 64 2HB HIS 64 12.758 2.632 7.960 579 HB3 HIS 64 3HB HIS 64 11.905 3.062 6.476 580 HD1 HIS 64 HD1 HIS 64 11.392 2.466 10.103 581 HD2 HIS 64 HD2 HIS 64 9.056 3.170 6.749 582 HE1 HIS 64 HE1 HIS 64 9.068 2.823 10.967 583 HE2 HIS 64 HE2 HIS 64 7.663 3.073 8.919 584 H SER 65 H SER 65 14.272 1.019 5.909 585 HA SER 65 HA SER 65 15.404 -1.349 6.926 586 HB2 SER 65 2HB SER 65 16.193 -0.251 4.850 587 HB3 SER 65 3HB SER 65 16.783 1.125 5.779 588 HG SER 65 HG SER 65 17.703 -1.409 6.523 589 H ASP 66 H ASP 66 15.909 2.056 7.856 590 HA ASP 66 HA ASP 66 16.994 1.336 10.467 591 HB2 ASP 66 2HB ASP 66 18.956 1.111 8.999 592 HB3 ASP 66 3HB ASP 66 18.658 2.686 8.283 593 H ALA 67 H ALA 67 17.397 3.301 11.797 594 HA ALA 67 HA ALA 67 15.140 5.011 11.717 595 HB1 ALA 67 3HB ALA 67 16.058 5.977 13.774 596 HB2 ALA 67 1HB ALA 67 17.606 5.174 13.472 597 HB3 ALA 67 2HB ALA 67 16.159 4.217 13.793 598 H ALA 68 H ALA 68 18.361 5.499 10.434 599 HA ALA 68 HA ALA 68 17.946 8.369 9.953 600 HB1 ALA 68 3HB ALA 68 20.220 7.559 10.442 601 HB2 ALA 68 1HB ALA 68 20.143 8.270 8.831 602 HB3 ALA 68 2HB ALA 68 20.173 6.512 9.023 603 H GLU 69 H GLU 69 17.627 5.300 8.352 604 HA GLU 69 HA GLU 69 17.337 6.320 5.673 605 HB2 GLU 69 2HB GLU 69 16.933 3.521 6.791 606 HB3 GLU 69 3HB GLU 69 16.839 3.938 5.082 607 HG2 GLU 69 2HG GLU 69 19.280 4.204 6.850 608 HG3 GLU 69 3HG GLU 69 19.008 2.973 5.623 609 H GLU 70 H GLU 70 15.175 6.095 8.275 610 HA GLU 70 HA GLU 70 12.730 5.250 7.533 611 HB2 GLU 70 2HB GLU 70 13.228 7.998 8.760 612 HB3 GLU 70 3HB GLU 70 11.710 7.118 8.845 613 HG2 GLU 70 2HG GLU 70 14.312 6.209 10.080 614 HG3 GLU 70 3HG GLU 70 13.052 7.089 10.938 615 H LYS 71 H LYS 71 14.048 8.394 6.621 616 HA LYS 71 HA LYS 71 11.727 9.260 5.144 617 HB2 LYS 71 2HB LYS 71 14.466 10.564 5.480 618 HB3 LYS 71 3HB LYS 71 13.002 11.363 4.910 619 HG2 LYS 71 2HG LYS 71 11.955 11.142 7.083 620 HG3 LYS 71 3HG LYS 71 13.283 10.138 7.675 621 HD2 LYS 71 2HD LYS 71 14.828 12.091 7.423 622 HD3 LYS 71 3HD LYS 71 13.458 13.082 6.908 623 HE2 LYS 71 2HE LYS 71 12.368 12.661 9.101 624 HE3 LYS 71 3HE LYS 71 13.775 11.717 9.599 625 HZ1 LYS 71 3HZ LYS 71 13.778 14.617 8.933 626 HZ2 LYS 71 1HZ LYS 71 15.134 13.714 9.380 627 HZ3 LYS 71 2HZ LYS 71 13.874 13.945 10.483 628 H LYS 72 H LYS 72 14.878 7.904 4.409 629 HA LYS 72 HA LYS 72 14.964 8.579 1.616 630 HB2 LYS 72 2HB LYS 72 17.011 8.122 3.018 631 HB3 LYS 72 3HB LYS 72 16.528 6.436 3.138 632 HG2 LYS 72 2HG LYS 72 18.259 6.617 1.481 633 HG3 LYS 72 3HG LYS 72 16.747 6.241 0.651 634 HD2 LYS 72 2HD LYS 72 16.511 8.628 0.010 635 HD3 LYS 72 3HD LYS 72 18.021 9.007 0.849 636 HE2 LYS 72 2HE LYS 72 19.239 7.500 -0.698 637 HE3 LYS 72 3HE LYS 72 17.729 7.151 -1.542 638 HZ1 LYS 72 3HZ LYS 72 19.099 9.778 -1.372 639 HZ2 LYS 72 1HZ LYS 72 17.580 9.543 -2.076 640 HZ3 LYS 72 2HZ LYS 72 18.945 8.801 -2.738 641 H GLU 73 H GLU 73 13.843 5.821 3.519 642 HA GLU 73 HA GLU 73 13.305 4.138 1.199 643 HB2 GLU 73 2HB GLU 73 12.577 3.620 4.124 644 HB3 GLU 73 3HB GLU 73 12.545 2.445 2.816 645 HG2 GLU 73 2HG GLU 73 14.954 3.673 4.170 646 HG3 GLU 73 3HG GLU 73 14.495 1.977 4.078 647 H ALA 74 H ALA 74 11.565 6.235 3.427 648 HA ALA 74 HA ALA 74 8.914 5.632 2.636 649 HB1 ALA 74 3HB ALA 74 10.030 8.276 3.642 650 HB2 ALA 74 1HB ALA 74 9.421 6.961 4.649 651 HB3 ALA 74 2HB ALA 74 8.320 7.830 3.575 652 H LYS 75 H LYS 75 11.228 8.115 1.475 653 HA LYS 75 HA LYS 75 9.528 9.070 -0.618 654 HB2 LYS 75 2HB LYS 75 11.321 10.445 0.504 655 HB3 LYS 75 3HB LYS 75 12.530 9.501 -0.355 656 HG2 LYS 75 2HG LYS 75 11.773 10.343 -2.502 657 HG3 LYS 75 3HG LYS 75 10.360 11.096 -1.764 658 HD2 LYS 75 2HD LYS 75 11.979 12.826 -2.264 659 HD3 LYS 75 3HD LYS 75 11.877 12.646 -0.513 660 HE2 LYS 75 2HE LYS 75 14.200 12.921 -1.189 661 HE3 LYS 75 3HE LYS 75 13.966 11.291 -0.560 662 HZ1 LYS 75 3HZ LYS 75 13.852 10.479 -2.841 663 HZ2 LYS 75 1HZ LYS 75 15.308 11.293 -2.569 664 HZ3 LYS 75 2HZ LYS 75 14.067 12.046 -3.435 665 H LYS 76 H LYS 76 12.137 6.632 -0.525 666 HA LYS 76 HA LYS 76 12.305 5.941 -3.231 667 HB2 LYS 76 2HB LYS 76 13.749 4.889 -1.517 668 HB3 LYS 76 3HB LYS 76 12.355 4.107 -0.784 669 HG2 LYS 76 2HG LYS 76 12.040 2.748 -2.827 670 HG3 LYS 76 3HG LYS 76 13.437 3.522 -3.568 671 HD2 LYS 76 2HD LYS 76 13.600 1.911 -0.990 672 HD3 LYS 76 3HD LYS 76 13.812 1.192 -2.583 673 HE2 LYS 76 2HE LYS 76 16.001 1.593 -1.720 674 HE3 LYS 76 3HE LYS 76 15.727 2.820 -2.953 675 HZ1 LYS 76 3HZ LYS 76 16.762 3.770 -1.012 676 HZ2 LYS 76 1HZ LYS 76 15.523 3.201 -0.009 677 HZ3 LYS 76 2HZ LYS 76 15.201 4.396 -1.164 678 H PHE 77 H PHE 77 10.095 4.705 -0.736 679 HA PHE 77 HA PHE 77 8.458 3.181 -2.505 680 HB2 PHE 77 2HB PHE 77 8.607 3.633 0.412 681 HB3 PHE 77 3HB PHE 77 6.940 3.545 -0.142 682 HD1 PHE 77 HD1 PHE 77 10.110 1.648 0.212 683 HD2 PHE 77 HD2 PHE 77 6.027 1.473 -1.074 684 HE1 PHE 77 HE1 PHE 77 10.229 -0.815 0.117 685 HE2 PHE 77 HE2 PHE 77 6.162 -0.976 -1.157 686 HZ PHE 77 HZ PHE 77 8.249 -2.118 -0.565 687 H ALA 78 H ALA 78 8.468 6.532 -1.643 688 HA ALA 78 HA ALA 78 5.786 7.183 -2.187 689 HB1 ALA 78 3HB ALA 78 8.233 8.911 -2.675 690 HB2 ALA 78 1HB ALA 78 7.354 8.771 -1.151 691 HB3 ALA 78 2HB ALA 78 6.560 9.469 -2.566 692 H ALA 79 H ALA 79 8.619 6.965 -4.350 693 HA ALA 79 HA ALA 79 7.261 7.492 -6.786 694 HB1 ALA 79 3HB ALA 79 9.808 5.907 -6.308 695 HB2 ALA 79 1HB ALA 79 9.707 7.654 -6.529 696 HB3 ALA 79 2HB ALA 79 9.277 6.573 -7.857 697 H ILE 80 H ILE 80 8.051 4.469 -5.083 698 HA ILE 80 HA ILE 80 7.230 2.597 -7.023 699 HB ILE 80 HB ILE 80 7.497 2.380 -3.993 700 HG12 ILE 80 2HG1 ILE 80 9.618 2.817 -5.101 701 HG13 ILE 80 3HG1 ILE 80 9.616 1.147 -4.557 702 HG21 ILE 80 1HG2 ILE 80 7.114 0.060 -5.905 703 HG22 ILE 80 2HG2 ILE 80 5.946 0.617 -4.711 704 HG23 ILE 80 3HG2 ILE 80 7.486 -0.064 -4.185 705 HD11 ILE 80 3HD1 ILE 80 10.615 1.345 -6.749 706 HD12 ILE 80 1HD1 ILE 80 9.157 2.095 -7.393 707 HD13 ILE 80 2HD1 ILE 80 9.126 0.412 -6.858 708 H LEU 81 H LEU 81 5.478 4.001 -4.282 709 HA LEU 81 HA LEU 81 3.048 2.520 -4.717 710 HB2 LEU 81 2HB LEU 81 3.863 4.756 -2.830 711 HB3 LEU 81 3HB LEU 81 2.200 4.201 -2.909 712 HG LEU 81 HG LEU 81 4.515 2.325 -2.281 713 HD11 LEU 81 1HD1 LEU 81 4.457 4.054 -0.553 714 HD12 LEU 81 2HD1 LEU 81 3.930 2.502 0.090 715 HD13 LEU 81 3HD1 LEU 81 2.739 3.754 -0.279 716 HD21 LEU 81 3HD2 LEU 81 2.751 0.858 -1.383 717 HD22 LEU 81 1HD2 LEU 81 2.499 1.207 -3.093 718 HD23 LEU 81 2HD2 LEU 81 1.519 2.025 -1.873 719 H ASN 82 H ASN 82 4.289 5.716 -5.609 720 HA ASN 82 HA ASN 82 1.903 6.964 -6.468 721 HB2 ASN 82 2HB ASN 82 4.126 8.124 -6.227 722 HB3 ASN 82 3HB ASN 82 4.703 7.289 -7.665 723 HD21 ASN 82 1HD2 ASN 82 5.099 9.247 -8.726 724 HD22 ASN 82 2HD2 ASN 82 3.832 10.255 -9.327 725 H LYS 83 H LYS 83 4.149 4.780 -8.111 726 HA LYS 83 HA LYS 83 2.870 4.668 -10.642 727 HB2 LYS 83 2HB LYS 83 4.648 2.629 -9.241 728 HB3 LYS 83 3HB LYS 83 4.168 2.528 -10.929 729 HG2 LYS 83 2HG LYS 83 5.861 4.718 -9.692 730 HG3 LYS 83 3HG LYS 83 6.453 3.383 -10.683 731 HD2 LYS 83 2HD LYS 83 5.131 4.247 -12.606 732 HD3 LYS 83 3HD LYS 83 4.572 5.590 -11.605 733 HE2 LYS 83 2HE LYS 83 6.970 6.295 -11.330 734 HE3 LYS 83 3HE LYS 83 7.425 5.037 -12.485 735 HZ1 LYS 83 3HZ LYS 83 5.514 7.231 -13.086 736 HZ2 LYS 83 1HZ LYS 83 6.147 6.114 -14.180 737 HZ3 LYS 83 2HZ LYS 83 7.155 7.277 -13.482 738 H VAL 84 H VAL 84 2.484 2.765 -7.663 739 HA VAL 84 HA VAL 84 0.943 0.631 -8.745 740 HB VAL 84 HB VAL 84 1.399 1.618 -5.892 741 HG11 VAL 84 1HG1 VAL 84 0.362 -0.481 -5.058 742 HG12 VAL 84 2HG1 VAL 84 -0.176 -0.856 -6.696 743 HG13 VAL 84 3HG1 VAL 84 -0.807 0.565 -5.865 744 HG21 VAL 84 3HG2 VAL 84 2.387 -0.871 -7.342 745 HG22 VAL 84 1HG2 VAL 84 2.782 -0.416 -5.680 746 HG23 VAL 84 2HG2 VAL 84 3.336 0.582 -7.025 747 H PHE 85 H PHE 85 0.044 3.523 -6.862 748 HA PHE 85 HA PHE 85 -2.768 3.113 -6.885 749 HB2 PHE 85 2HB PHE 85 -1.263 5.743 -6.496 750 HB3 PHE 85 3HB PHE 85 -2.946 5.445 -6.064 751 HD1 PHE 85 HD1 PHE 85 -2.673 2.685 -4.829 752 HD2 PHE 85 HD2 PHE 85 -0.301 6.221 -4.351 753 HE1 PHE 85 HE1 PHE 85 -1.948 1.910 -2.610 754 HE2 PHE 85 HE2 PHE 85 0.417 5.429 -2.135 755 HZ PHE 85 HZ PHE 85 -0.402 3.277 -1.266 756 H ALA 86 H ALA 86 -0.582 4.651 -9.172 757 HA ALA 86 HA ALA 86 -2.509 5.883 -10.873 758 HB1 ALA 86 3HB ALA 86 -0.106 6.412 -10.969 759 HB2 ALA 86 1HB ALA 86 -0.718 5.936 -12.551 760 HB3 ALA 86 2HB ALA 86 0.237 4.799 -11.590 761 H GLU 87 H GLU 87 -1.255 2.612 -10.606 762 HA GLU 87 HA GLU 87 -2.533 1.640 -13.055 763 HB2 GLU 87 2HB GLU 87 -0.904 0.223 -10.900 764 HB3 GLU 87 3HB GLU 87 -1.489 -0.540 -12.379 765 HG2 GLU 87 2HG GLU 87 -0.094 0.936 -13.743 766 HG3 GLU 87 3HG GLU 87 0.417 1.823 -12.309 767 H LEU 88 H LEU 88 -3.588 2.396 -10.028 768 HA LEU 88 HA LEU 88 -5.657 0.284 -9.882 769 HB2 LEU 88 2HB LEU 88 -4.662 2.225 -7.752 770 HB3 LEU 88 3HB LEU 88 -6.004 1.114 -7.528 771 HG LEU 88 HG LEU 88 -3.116 0.287 -8.022 772 HD11 LEU 88 1HD1 LEU 88 -3.094 -0.438 -5.681 773 HD12 LEU 88 2HD1 LEU 88 -4.721 0.210 -5.451 774 HD13 LEU 88 3HD1 LEU 88 -3.378 1.296 -5.819 775 HD21 LEU 88 3HD2 LEU 88 -4.653 -1.377 -8.915 776 HD22 LEU 88 1HD2 LEU 88 -5.527 -1.433 -7.382 777 HD23 LEU 88 2HD2 LEU 88 -3.854 -1.993 -7.472 778 H GLY 89 H GLY 89 -5.039 3.724 -10.234 779 HA2 GLY 89 2HA GLY 89 -6.508 5.169 -11.412 780 HA3 GLY 89 3HA GLY 89 -7.886 4.240 -10.850 781 H TYR 90 H TYR 90 -5.700 4.806 -8.316 782 HA TYR 90 HA TYR 90 -7.343 6.874 -7.090 783 HB2 TYR 90 2HB TYR 90 -4.763 5.575 -6.093 784 HB3 TYR 90 3HB TYR 90 -5.840 6.586 -5.135 785 HD1 TYR 90 HD2 TYR 90 -8.510 5.548 -5.622 786 HD2 TYR 90 HD1 TYR 90 -4.844 3.375 -5.254 787 HE1 TYR 90 HE2 TYR 90 -9.757 3.559 -4.890 788 HE2 TYR 90 HE1 TYR 90 -6.098 1.387 -4.523 789 HH TYR 90 HH TYR 90 -8.296 0.871 -3.463 790 H ASN 91 H ASN 91 -6.768 9.031 -6.832 791 HA ASN 91 HA ASN 91 -4.598 10.081 -8.533 792 HB2 ASN 91 2HB ASN 91 -6.984 11.429 -7.184 793 HB3 ASN 91 3HB ASN 91 -5.750 12.318 -8.073 794 HD21 ASN 91 1HD2 ASN 91 -5.724 12.213 -10.331 795 HD22 ASN 91 2HD2 ASN 91 -7.037 11.542 -11.233 796 H ASP 92 H ASP 92 -3.425 12.031 -7.691 797 HA ASP 92 HA ASP 92 -1.970 11.593 -5.325 798 HB2 ASP 92 2HB ASP 92 -2.366 14.248 -6.787 799 HB3 ASP 92 3HB ASP 92 -1.091 13.906 -5.622 800 H SER 93 H SER 93 -4.906 13.380 -5.922 801 HA SER 93 HA SER 93 -5.140 14.828 -3.504 802 HB2 SER 93 2HB SER 93 -7.576 14.975 -4.170 803 HB3 SER 93 3HB SER 93 -6.457 15.435 -5.455 804 HG SER 93 HG SER 93 -8.178 13.272 -5.290 805 H ASN 94 H ASN 94 -6.207 11.576 -4.479 806 HA ASN 94 HA ASN 94 -7.615 10.930 -2.065 807 HB2 ASN 94 2HB ASN 94 -6.463 9.064 -4.196 808 HB3 ASN 94 3HB ASN 94 -7.605 8.593 -2.941 809 HD21 ASN 94 1HD2 ASN 94 -9.802 9.247 -3.155 810 HD22 ASN 94 2HD2 ASN 94 -10.429 9.851 -4.646 811 H VAL 95 H VAL 95 -4.280 10.960 -2.935 812 HA VAL 95 HA VAL 95 -3.422 9.004 -0.901 813 HB VAL 95 HB VAL 95 -1.844 10.462 -3.091 814 HG11 VAL 95 1HG1 VAL 95 0.012 8.911 -2.628 815 HG12 VAL 95 2HG1 VAL 95 -0.893 8.206 -1.287 816 HG13 VAL 95 3HG1 VAL 95 -0.366 9.887 -1.206 817 HG21 VAL 95 3HG2 VAL 95 -1.797 8.304 -4.281 818 HG22 VAL 95 1HG2 VAL 95 -3.457 8.842 -4.015 819 HG23 VAL 95 2HG2 VAL 95 -2.773 7.565 -3.009 820 H THR 96 H THR 96 -2.744 9.766 1.099 821 HA THR 96 HA THR 96 -1.309 12.360 1.219 822 HB THR 96 HB THR 96 -3.472 12.674 2.356 823 HG1 THR 96 HG1 THR 96 -1.518 12.465 4.411 824 HG21 THR 96 3HG2 THR 96 -4.022 10.398 3.077 825 HG22 THR 96 1HG2 THR 96 -4.018 11.488 4.467 826 HG23 THR 96 2HG2 THR 96 -2.660 10.395 4.196 827 H TRP 97 H TRP 97 0.579 12.398 2.388 828 HA TRP 97 HA TRP 97 1.616 9.827 3.441 829 HB2 TRP 97 2HB TRP 97 2.973 12.125 1.988 830 HB3 TRP 97 3HB TRP 97 3.912 11.038 3.008 831 HD1 TRP 97 HD1 TRP 97 1.903 11.025 -0.303 832 HE1 TRP 97 HE1 TRP 97 2.550 8.903 -1.617 833 HE3 TRP 97 HE3 TRP 97 4.812 8.716 3.227 834 HZ2 TRP 97 HZ2 TRP 97 4.092 6.578 -1.218 835 HZ3 TRP 97 HZ3 TRP 97 5.842 6.543 2.682 836 HH2 TRP 97 HH2 TRP 97 5.484 5.498 0.499 837 H ASP 98 H ASP 98 2.418 9.769 5.444 838 HA ASP 98 HA ASP 98 2.848 12.176 7.056 839 HB2 ASP 98 2HB ASP 98 0.855 9.967 7.794 840 HB3 ASP 98 3HB ASP 98 1.516 11.092 8.975 841 H GLY 99 H GLY 99 5.015 11.585 6.859 842 HA2 GLY 99 2HA GLY 99 6.974 10.853 7.784 843 HA3 GLY 99 3HA GLY 99 6.041 9.942 8.959 844 H ASP 100 H ASP 100 5.251 7.838 8.336 845 HA ASP 100 HA ASP 100 6.876 6.457 6.265 846 HB2 ASP 100 2HB ASP 100 7.188 4.597 7.819 847 HB3 ASP 100 3HB ASP 100 7.797 6.079 8.539 848 H THR 101 H THR 101 3.807 7.212 7.273 849 HA THR 101 HA THR 101 2.564 4.730 6.228 850 HB THR 101 HB THR 101 1.362 6.718 8.223 851 HG1 THR 101 HG1 THR 101 3.251 5.216 8.850 852 HG21 THR 101 3HG2 THR 101 -0.324 4.946 8.626 853 HG22 THR 101 1HG2 THR 101 0.422 3.942 7.380 854 HG23 THR 101 2HG2 THR 101 -0.353 5.465 6.941 855 H VAL 102 H VAL 102 1.271 4.989 4.496 856 HA VAL 102 HA VAL 102 0.447 7.693 3.609 857 HB VAL 102 HB VAL 102 2.043 6.758 2.015 858 HG11 VAL 102 1HG1 VAL 102 1.860 4.370 2.521 859 HG12 VAL 102 2HG1 VAL 102 1.696 4.657 0.787 860 HG13 VAL 102 3HG1 VAL 102 0.265 4.314 1.764 861 HG21 VAL 102 3HG2 VAL 102 -0.778 6.593 0.892 862 HG22 VAL 102 1HG2 VAL 102 0.697 6.807 -0.058 863 HG23 VAL 102 2HG2 VAL 102 0.188 8.058 1.075 864 H THR 103 H THR 103 -1.698 8.019 3.725 865 HA THR 103 HA THR 103 -3.554 5.714 3.772 866 HB THR 103 HB THR 103 -4.013 8.564 4.772 867 HG1 THR 103 HG1 THR 103 -2.581 7.397 6.095 868 HG21 THR 103 3HG2 THR 103 -6.071 7.656 5.791 869 HG22 THR 103 1HG2 THR 103 -5.765 6.083 5.063 870 HG23 THR 103 2HG2 THR 103 -6.120 7.480 4.036 871 H VAL 104 H VAL 104 -4.383 5.372 1.860 872 HA VAL 104 HA VAL 104 -5.124 7.583 0.053 873 HB VAL 104 HB VAL 104 -4.801 4.603 -0.577 874 HG11 VAL 104 1HG1 VAL 104 -5.194 6.962 -2.460 875 HG12 VAL 104 2HG1 VAL 104 -6.377 5.700 -2.105 876 HG13 VAL 104 3HG1 VAL 104 -4.882 5.294 -2.950 877 HG21 VAL 104 3HG2 VAL 104 -2.641 5.578 0.016 878 HG22 VAL 104 1HG2 VAL 104 -2.887 6.894 -1.136 879 HG23 VAL 104 2HG2 VAL 104 -2.701 5.237 -1.713 880 H GLU 105 H GLU 105 -7.224 8.138 0.453 881 HA GLU 105 HA GLU 105 -9.223 6.045 0.996 882 HB2 GLU 105 2HB GLU 105 -9.505 9.090 1.039 883 HB3 GLU 105 3HB GLU 105 -10.804 7.943 1.365 884 HG2 GLU 105 2HG GLU 105 -9.372 7.059 3.283 885 HG3 GLU 105 3HG GLU 105 -8.328 8.454 3.021 886 H GLY 106 H GLY 106 -10.046 5.136 -0.750 887 HA2 GLY 106 2HA GLY 106 -10.342 6.698 -3.269 888 HA3 GLY 106 3HA GLY 106 -9.900 4.997 -3.196 889 H GLN 107 H GLN 107 -11.869 5.497 -4.766 890 HA GLN 107 HA GLN 107 -14.292 4.568 -3.352 891 HB2 GLN 107 2HB GLN 107 -15.716 5.735 -4.905 892 HB3 GLN 107 3HB GLN 107 -14.565 6.904 -4.283 893 HG2 GLN 107 2HG GLN 107 -14.399 5.575 -7.011 894 HG3 GLN 107 3HG GLN 107 -15.041 7.185 -6.702 895 HE21 GLN 107 1HE2 GLN 107 -12.760 6.283 -8.362 896 HE22 GLN 107 2HE2 GLN 107 -11.399 7.194 -7.809 897 H LEU 108 H LEU 108 -15.358 2.864 -4.239 898 HA LEU 108 HA LEU 108 -13.920 1.138 -6.063 899 HB2 LEU 108 2HB LEU 108 -16.452 0.898 -4.448 900 HB3 LEU 108 3HB LEU 108 -16.170 -0.239 -5.757 901 HG LEU 108 HG LEU 108 -14.104 -1.024 -4.691 902 HD11 LEU 108 1HD1 LEU 108 -13.477 -0.354 -2.423 903 HD12 LEU 108 2HD1 LEU 108 -14.708 0.915 -2.451 904 HD13 LEU 108 3HD1 LEU 108 -13.342 0.982 -3.566 905 HD21 LEU 108 3HD2 LEU 108 -16.215 -2.104 -4.191 906 HD22 LEU 108 1HD2 LEU 108 -16.478 -1.018 -2.824 907 HD23 LEU 108 2HD2 LEU 108 -15.133 -2.165 -2.799 908 H GLU 109 H GLU 109 -15.188 0.027 -7.830 909 HA GLU 109 HA GLU 109 -16.129 0.042 -9.880 910 HB2 GLU 109 2HB GLU 109 -18.179 0.468 -8.389 911 HB3 GLU 109 3HB GLU 109 -18.033 2.173 -8.799 912 HG2 GLU 109 2HG GLU 109 -18.350 1.569 -11.209 913 HG3 GLU 109 3HG GLU 109 -18.586 -0.109 -10.721 914 H GLY 110 H GLY 110 -13.937 1.889 -9.209 915 HA2 GLY 110 2HA GLY 110 -14.099 4.429 -10.396 916 HA3 GLY 110 3HA GLY 110 -12.627 3.497 -10.177 917 H VAL 111 H VAL 111 -12.108 1.898 -11.812 918 HA VAL 111 HA VAL 111 -13.557 1.892 -14.370 919 HB VAL 111 HB VAL 111 -10.497 2.177 -14.218 920 HG11 VAL 111 1HG1 VAL 111 -12.250 1.875 -16.693 921 HG12 VAL 111 2HG1 VAL 111 -11.168 0.646 -16.032 922 HG13 VAL 111 3HG1 VAL 111 -10.504 2.143 -16.685 923 HG21 VAL 111 3HG2 VAL 111 -11.598 4.352 -13.877 924 HG22 VAL 111 1HG2 VAL 111 -12.504 4.146 -15.376 925 HG23 VAL 111 2HG2 VAL 111 -10.746 4.315 -15.422 926 H ASP 112 H ASP 112 -10.626 0.707 -12.838 927 HA ASP 112 HA ASP 112 -11.396 -1.784 -11.939 928 HB2 ASP 112 2HB ASP 112 -10.687 -1.838 -14.825 929 HB3 ASP 112 3HB ASP 112 -9.674 -2.924 -13.890 930 H LEU 113 H LEU 113 -9.813 -2.405 -10.528 931 HA LEU 113 HA LEU 113 -7.296 -1.012 -10.337 932 HB2 LEU 113 2HB LEU 113 -8.104 -3.632 -8.995 933 HB3 LEU 113 3HB LEU 113 -6.826 -2.545 -8.483 934 HG LEU 113 HG LEU 113 -9.810 -1.949 -8.354 935 HD11 LEU 113 1HD1 LEU 113 -9.173 -3.661 -6.749 936 HD12 LEU 113 2HD1 LEU 113 -9.560 -2.157 -5.917 937 HD13 LEU 113 3HD1 LEU 113 -7.873 -2.641 -6.126 938 HD21 LEU 113 3HD2 LEU 113 -7.483 -0.275 -7.347 939 HD22 LEU 113 1HD2 LEU 113 -9.192 0.043 -7.036 940 HD23 LEU 113 2HD2 LEU 113 -8.570 0.124 -8.681 941 H GLU 114 H GLU 114 -7.904 -4.483 -10.581 942 HA GLU 114 HA GLU 114 -7.045 -4.709 -13.305 943 HB2 GLU 114 2HB GLU 114 -5.301 -6.383 -12.993 944 HB3 GLU 114 3HB GLU 114 -4.844 -4.938 -12.104 945 HG2 GLU 114 2HG GLU 114 -5.622 -6.038 -9.999 946 HG3 GLU 114 3HG GLU 114 -5.977 -7.494 -10.920 947 H HIS 115 H HIS 115 -7.182 -7.380 -13.698 948 HA HIS 115 HA HIS 115 -9.880 -8.110 -13.093 949 HB2 HIS 115 2HB HIS 115 -7.610 -9.808 -14.243 950 HB3 HIS 115 3HB HIS 115 -9.306 -10.284 -14.210 951 HD1 HIS 115 HD1 HIS 115 -6.852 -8.412 -16.203 952 HD2 HIS 115 HD2 HIS 115 -10.990 -8.649 -15.926 953 HE1 HIS 115 HE1 HIS 115 -7.734 -7.378 -18.318 954 HE2 HIS 115 HE2 HIS 115 -10.231 -7.480 -18.091 955 H HIS 116 H HIS 116 -10.558 -10.072 -11.948 956 HA HIS 116 HA HIS 116 -9.594 -10.238 -9.301 957 HB2 HIS 116 2HB HIS 116 -11.922 -10.776 -9.704 958 HB3 HIS 116 3HB HIS 116 -11.502 -12.021 -10.874 959 HD1 HIS 116 HD1 HIS 116 -11.905 -11.433 -7.213 960 HD2 HIS 116 HD2 HIS 116 -10.731 -14.529 -9.720 961 HE1 HIS 116 HE1 HIS 116 -11.841 -13.485 -5.772 962 HE2 HIS 116 HE2 HIS 116 -11.342 -15.360 -7.363 963 H HIS 117 H HIS 117 -7.694 -11.093 -8.742 964 HA HIS 117 HA HIS 117 -7.059 -13.854 -9.617 965 HB2 HIS 117 2HB HIS 117 -5.219 -12.050 -9.758 966 HB3 HIS 117 3HB HIS 117 -5.247 -11.993 -7.998 967 HD1 HIS 117 HD1 HIS 117 -3.474 -13.420 -7.001 968 HD2 HIS 117 HD2 HIS 117 -4.765 -14.924 -10.649 969 HE1 HIS 117 HE1 HIS 117 -2.080 -15.460 -7.420 970 HE2 HIS 117 HE2 HIS 117 -3.071 -16.486 -9.484 971 H HIS 118 H HIS 118 -7.038 -15.453 -7.993 972 HA HIS 118 HA HIS 118 -9.145 -15.301 -6.201 973 HB2 HIS 118 2HB HIS 118 -8.285 -17.414 -7.188 974 HB3 HIS 118 3HB HIS 118 -6.856 -17.314 -6.168 975 HD1 HIS 118 HD1 HIS 118 -10.523 -18.112 -6.058 976 HD2 HIS 118 HD2 HIS 118 -7.239 -18.159 -3.507 977 HE1 HIS 118 HE1 HIS 118 -11.269 -19.347 -4.001 978 HE2 HIS 118 HE2 HIS 118 -9.291 -19.306 -2.457 979 H HIS 119 H HIS 119 -5.677 -15.291 -5.449 980 HA HIS 119 HA HIS 119 -6.006 -13.759 -3.022 981 HB2 HIS 119 2HB HIS 119 -6.603 -16.173 -2.374 982 HB3 HIS 119 3HB HIS 119 -4.950 -16.618 -2.768 983 HD1 HIS 119 HD1 HIS 119 -3.146 -16.085 -1.028 984 HD2 HIS 119 HD2 HIS 119 -6.897 -14.591 -0.021 985 HE1 HIS 119 HE1 HIS 119 -2.967 -15.350 1.367 986 HE2 HIS 119 HE2 HIS 119 -5.186 -14.295 1.891 987 H HIS 120 H HIS 120 -3.907 -13.233 -2.082 988 HA HIS 120 HA HIS 120 -1.649 -13.388 -3.951 989 HB2 HIS 120 2HB HIS 120 -2.174 -11.120 -3.247 990 HB3 HIS 120 3HB HIS 120 -2.176 -11.580 -1.546 991 HD1 HIS 120 HD1 HIS 120 0.039 -11.657 -0.349 992 HD2 HIS 120 HD2 HIS 120 0.478 -10.941 -4.414 993 HE1 HIS 120 HE1 HIS 120 2.458 -11.112 -0.674 994 HE2 HIS 120 HE2 HIS 120 2.733 -10.888 -3.162 Start of MODEL 7 1 H1 MET 1 1H MET 1 21.313 -1.205 2.685 2 H2 MET 1 2H MET 1 19.833 -1.975 2.877 3 H3 MET 1 3H MET 1 19.981 -0.727 1.760 4 HA MET 1 HA MET 1 21.565 -2.051 0.496 5 HB2 MET 1 2HB MET 1 20.705 -4.320 2.355 6 HB3 MET 1 3HB MET 1 21.779 -4.465 0.965 7 HG2 MET 1 2HG MET 1 23.125 -4.499 2.934 8 HG3 MET 1 3HG MET 1 23.393 -2.944 2.144 9 HE1 MET 1 3HE MET 1 23.712 -2.081 5.990 10 HE2 MET 1 1HE MET 1 24.466 -1.853 4.412 11 HE3 MET 1 2HE MET 1 24.321 -3.474 5.095 12 H SER 2 H SER 2 20.777 -3.218 -1.295 13 HA SER 2 HA SER 2 17.946 -3.359 -1.763 14 HB2 SER 2 2HB SER 2 20.251 -4.519 -3.402 15 HB3 SER 2 3HB SER 2 18.603 -4.236 -3.972 16 HG SER 2 HG SER 2 19.198 -2.279 -4.421 17 H GLY 3 H GLY 3 16.985 -5.539 -2.619 18 HA2 GLY 3 2HA GLY 3 16.289 -7.687 -2.131 19 HA3 GLY 3 3HA GLY 3 17.901 -8.011 -1.498 20 H LYS 4 H LYS 4 15.131 -5.934 -0.647 21 HA LYS 4 HA LYS 4 15.668 -6.420 2.221 22 HB2 LYS 4 2HB LYS 4 15.880 -4.051 1.375 23 HB3 LYS 4 3HB LYS 4 14.182 -4.081 0.915 24 HG2 LYS 4 2HG LYS 4 14.506 -2.894 3.046 25 HG3 LYS 4 3HG LYS 4 13.531 -4.351 3.282 26 HD2 LYS 4 2HD LYS 4 15.499 -5.551 4.149 27 HD3 LYS 4 3HD LYS 4 16.515 -4.143 3.847 28 HE2 LYS 4 2HE LYS 4 15.984 -4.261 6.206 29 HE3 LYS 4 3HE LYS 4 15.158 -2.865 5.512 30 HZ1 LYS 4 3HZ LYS 4 13.117 -4.085 5.480 31 HZ2 LYS 4 1HZ LYS 4 13.776 -4.184 7.030 32 HZ3 LYS 4 2HZ LYS 4 13.882 -5.505 5.986 33 H LYS 5 H LYS 5 14.136 -7.316 3.484 34 HA LYS 5 HA LYS 5 11.506 -8.020 2.449 35 HB2 LYS 5 2HB LYS 5 12.728 -9.632 3.875 36 HB3 LYS 5 3HB LYS 5 12.780 -8.457 5.184 37 HG2 LYS 5 2HG LYS 5 10.267 -8.518 5.284 38 HG3 LYS 5 3HG LYS 5 10.288 -9.783 4.052 39 HD2 LYS 5 2HD LYS 5 10.034 -10.805 6.255 40 HD3 LYS 5 3HD LYS 5 11.616 -11.232 5.595 41 HE2 LYS 5 2HE LYS 5 12.601 -9.353 6.974 42 HE3 LYS 5 3HE LYS 5 11.016 -9.153 7.722 43 HZ1 LYS 5 3HZ LYS 5 12.426 -10.525 9.087 44 HZ2 LYS 5 1HZ LYS 5 12.690 -11.607 7.818 45 HZ3 LYS 5 2HZ LYS 5 11.150 -11.452 8.488 46 H VAL 6 H VAL 6 9.878 -6.698 2.619 47 HA VAL 6 HA VAL 6 9.779 -4.522 4.638 48 HB VAL 6 HB VAL 6 9.806 -3.399 2.539 49 HG11 VAL 6 1HG1 VAL 6 8.532 -4.107 0.531 50 HG12 VAL 6 2HG1 VAL 6 7.914 -5.506 1.415 51 HG13 VAL 6 3HG1 VAL 6 9.640 -5.370 1.077 52 HG21 VAL 6 3HG2 VAL 6 7.560 -2.482 2.161 53 HG22 VAL 6 1HG2 VAL 6 7.887 -2.638 3.888 54 HG23 VAL 6 2HG2 VAL 6 6.841 -3.806 3.080 55 H GLU 7 H GLU 7 8.002 -4.519 5.985 56 HA GLU 7 HA GLU 7 5.864 -6.497 5.466 57 HB2 GLU 7 2HB GLU 7 6.733 -5.186 8.084 58 HB3 GLU 7 3HB GLU 7 5.264 -6.146 7.907 59 HG2 GLU 7 2HG GLU 7 6.806 -8.037 7.036 60 HG3 GLU 7 3HG GLU 7 8.135 -7.065 7.655 61 H VAL 8 H VAL 8 4.233 -5.682 4.481 62 HA VAL 8 HA VAL 8 3.592 -2.813 4.484 63 HB VAL 8 HB VAL 8 2.582 -5.084 2.675 64 HG11 VAL 8 1HG1 VAL 8 1.705 -3.336 1.191 65 HG12 VAL 8 2HG1 VAL 8 2.240 -2.082 2.310 66 HG13 VAL 8 3HG1 VAL 8 0.971 -3.208 2.792 67 HG21 VAL 8 3HG2 VAL 8 4.086 -4.171 0.948 68 HG22 VAL 8 1HG2 VAL 8 4.992 -4.684 2.374 69 HG23 VAL 8 2HG2 VAL 8 4.688 -2.968 2.092 70 H GLN 9 H GLN 9 2.182 -2.289 6.056 71 HA GLN 9 HA GLN 9 0.327 -4.301 7.164 72 HB2 GLN 9 2HB GLN 9 1.183 -1.575 8.256 73 HB3 GLN 9 3HB GLN 9 0.267 -2.805 9.128 74 HG2 GLN 9 2HG GLN 9 2.172 -4.282 9.209 75 HG3 GLN 9 3HG GLN 9 3.076 -3.260 8.088 76 HE21 GLN 9 1HE2 GLN 9 3.994 -1.346 8.834 77 HE22 GLN 9 2HE2 GLN 9 4.211 -1.016 10.520 78 H VAL 10 H VAL 10 -1.468 -4.242 5.922 79 HA VAL 10 HA VAL 10 -2.570 -1.697 4.931 80 HB VAL 10 HB VAL 10 -3.174 -4.587 4.106 81 HG11 VAL 10 1HG1 VAL 10 -4.226 -2.006 2.879 82 HG12 VAL 10 2HG1 VAL 10 -5.176 -3.178 3.795 83 HG13 VAL 10 3HG1 VAL 10 -4.482 -3.632 2.238 84 HG21 VAL 10 3HG2 VAL 10 -0.934 -3.833 3.417 85 HG22 VAL 10 1HG2 VAL 10 -1.632 -2.403 2.650 86 HG23 VAL 10 2HG2 VAL 10 -1.989 -4.011 2.015 87 H LYS 11 H LYS 11 -4.012 -0.818 6.252 88 HA LYS 11 HA LYS 11 -6.048 -2.488 7.620 89 HB2 LYS 11 2HB LYS 11 -4.463 -1.356 9.174 90 HB3 LYS 11 3HB LYS 11 -4.858 0.199 8.458 91 HG2 LYS 11 2HG LYS 11 -7.160 0.036 9.298 92 HG3 LYS 11 3HG LYS 11 -6.828 -1.577 9.939 93 HD2 LYS 11 2HD LYS 11 -6.763 0.148 11.717 94 HD3 LYS 11 3HD LYS 11 -5.203 -0.656 11.525 95 HE2 LYS 11 2HE LYS 11 -4.930 1.769 11.842 96 HE3 LYS 11 3HE LYS 11 -4.352 1.281 10.249 97 HZ1 LYS 11 3HZ LYS 11 -6.515 2.047 9.345 98 HZ2 LYS 11 1HZ LYS 11 -5.624 3.286 10.065 99 HZ3 LYS 11 2HZ LYS 11 -6.936 2.608 10.880 100 H ILE 12 H ILE 12 -7.780 -2.342 6.330 101 HA ILE 12 HA ILE 12 -8.442 0.219 4.979 102 HB ILE 12 HB ILE 12 -7.785 -1.517 3.378 103 HG12 ILE 12 2HG1 ILE 12 -10.804 -1.062 3.272 104 HG13 ILE 12 3HG1 ILE 12 -9.588 0.085 2.723 105 HG21 ILE 12 1HG2 ILE 12 -8.278 -3.535 4.674 106 HG22 ILE 12 2HG2 ILE 12 -9.054 -3.621 3.091 107 HG23 ILE 12 3HG2 ILE 12 -10.012 -3.235 4.522 108 HD11 ILE 12 3HD1 ILE 12 -10.607 -1.109 0.873 109 HD12 ILE 12 1HD1 ILE 12 -10.078 -2.651 1.545 110 HD13 ILE 12 2HD1 ILE 12 -8.887 -1.474 0.986 111 H THR 13 H THR 13 -10.357 1.140 5.511 112 HA THR 13 HA THR 13 -12.343 -0.402 7.050 113 HB THR 13 HB THR 13 -12.136 2.605 6.565 114 HG1 THR 13 HG1 THR 13 -11.601 1.019 8.890 115 HG21 THR 13 3HG2 THR 13 -14.024 1.053 8.380 116 HG22 THR 13 1HG2 THR 13 -14.488 1.961 6.937 117 HG23 THR 13 2HG2 THR 13 -13.851 2.808 8.347 118 H CYS 14 H CYS 14 -13.936 -1.296 5.978 119 HA CYS 14 HA CYS 14 -15.049 -0.095 3.502 120 HB2 CYS 14 2HB CYS 14 -13.563 -2.030 3.006 121 HB3 CYS 14 3HB CYS 14 -14.565 -3.064 4.018 122 H ASN 15 H ASN 15 -17.053 0.504 3.973 123 HA ASN 15 HA ASN 15 -19.286 0.356 4.235 124 HB2 ASN 15 2HB ASN 15 -18.882 -2.099 3.475 125 HB3 ASN 15 3HB ASN 15 -19.047 -2.535 5.165 126 HD21 ASN 15 1HD2 ASN 15 -20.703 -1.334 2.336 127 HD22 ASN 15 2HD2 ASN 15 -22.307 -1.583 2.924 128 H GLY 16 H GLY 16 -17.112 0.262 6.671 129 HA2 GLY 16 2HA GLY 16 -17.808 1.528 8.693 130 HA3 GLY 16 3HA GLY 16 -19.147 0.401 8.845 131 H LYS 17 H LYS 17 -16.718 -1.505 7.806 132 HA LYS 17 HA LYS 17 -15.830 -2.204 10.547 133 HB2 LYS 17 2HB LYS 17 -15.986 -3.953 8.044 134 HB3 LYS 17 3HB LYS 17 -15.400 -4.482 9.617 135 HG2 LYS 17 2HG LYS 17 -18.229 -3.595 8.983 136 HG3 LYS 17 3HG LYS 17 -17.691 -5.258 9.198 137 HD2 LYS 17 2HD LYS 17 -17.701 -3.091 11.337 138 HD3 LYS 17 3HD LYS 17 -18.850 -4.423 11.209 139 HE2 LYS 17 2HE LYS 17 -15.877 -4.649 11.798 140 HE3 LYS 17 3HE LYS 17 -17.201 -4.932 12.925 141 HZ1 LYS 17 3HZ LYS 17 -17.907 -6.783 11.478 142 HZ2 LYS 17 1HZ LYS 17 -16.376 -7.006 12.155 143 HZ3 LYS 17 2HZ LYS 17 -16.522 -6.555 10.537 144 H THR 18 H THR 18 -13.636 -2.712 10.909 145 HA THR 18 HA THR 18 -11.742 -1.527 8.954 146 HB THR 18 HB THR 18 -11.504 -1.674 12.007 147 HG1 THR 18 HG1 THR 18 -13.122 -0.198 11.327 148 HG21 THR 18 3HG2 THR 18 -9.799 -0.176 9.970 149 HG22 THR 18 1HG2 THR 18 -9.292 -1.600 10.886 150 HG23 THR 18 2HG2 THR 18 -9.634 -0.088 11.725 151 H TYR 19 H TYR 19 -10.481 -2.995 8.018 152 HA TYR 19 HA TYR 19 -9.957 -5.644 9.250 153 HB2 TYR 19 2HB TYR 19 -9.911 -4.875 6.285 154 HB3 TYR 19 3HB TYR 19 -9.746 -6.495 6.949 155 HD1 TYR 19 HD1 TYR 19 -11.740 -7.723 7.765 156 HD2 TYR 19 HD2 TYR 19 -12.117 -3.803 6.094 157 HE1 TYR 19 HE1 TYR 19 -14.165 -8.053 7.522 158 HE2 TYR 19 HE2 TYR 19 -14.543 -4.132 5.856 159 HH TYR 19 HH TYR 19 -16.148 -5.981 5.676 160 H GLU 20 H GLU 20 -7.858 -5.688 10.044 161 HA GLU 20 HA GLU 20 -5.751 -4.231 8.531 162 HB2 GLU 20 2HB GLU 20 -4.570 -3.859 10.587 163 HB3 GLU 20 3HB GLU 20 -6.221 -3.318 10.785 164 HG2 GLU 20 2HG GLU 20 -5.851 -4.322 12.829 165 HG3 GLU 20 3HG GLU 20 -6.586 -5.649 11.935 166 H ARG 21 H ARG 21 -3.828 -5.279 8.022 167 HA ARG 21 HA ARG 21 -3.253 -7.995 8.804 168 HB2 ARG 21 2HB ARG 21 -5.033 -8.462 7.157 169 HB3 ARG 21 3HB ARG 21 -4.228 -7.458 5.957 170 HG2 ARG 21 2HG ARG 21 -3.859 -9.810 5.444 171 HG3 ARG 21 3HG ARG 21 -2.330 -9.055 5.895 172 HD2 ARG 21 2HD ARG 21 -2.584 -9.999 8.176 173 HD3 ARG 21 3HD ARG 21 -4.053 -10.827 7.659 174 HE ARG 21 HE ARG 21 -1.289 -11.509 7.017 175 HH11 ARG 21 1HH1 ARG 21 -4.677 -12.115 6.237 176 HH12 ARG 21 2HH1 ARG 21 -4.345 -13.652 5.503 177 HH21 ARG 21 1HH2 ARG 21 -0.892 -13.532 6.076 178 HH22 ARG 21 2HH2 ARG 21 -2.208 -14.447 5.411 179 H THR 22 H THR 22 -1.112 -7.975 8.944 180 HA THR 22 HA THR 22 0.571 -6.269 7.278 181 HB THR 22 HB THR 22 1.298 -8.195 9.535 182 HG1 THR 22 HG1 THR 22 0.121 -5.796 9.586 183 HG21 THR 22 3HG2 THR 22 3.228 -7.759 8.043 184 HG22 THR 22 1HG2 THR 22 3.449 -6.953 9.597 185 HG23 THR 22 2HG2 THR 22 2.951 -6.022 8.185 186 H TYR 23 H TYR 23 1.160 -7.014 5.342 187 HA TYR 23 HA TYR 23 1.515 -9.880 4.763 188 HB2 TYR 23 2HB TYR 23 1.576 -7.477 2.866 189 HB3 TYR 23 3HB TYR 23 1.570 -9.175 2.396 190 HD1 TYR 23 HD1 TYR 23 -0.501 -6.409 3.749 191 HD2 TYR 23 HD2 TYR 23 -0.521 -10.461 2.391 192 HE1 TYR 23 HE1 TYR 23 -2.955 -6.358 3.636 193 HE2 TYR 23 HE2 TYR 23 -2.978 -10.403 2.274 194 HH TYR 23 HH TYR 23 -4.773 -7.565 2.343 195 H GLN 24 H GLN 24 3.522 -10.708 4.296 196 HA GLN 24 HA GLN 24 5.877 -8.955 4.735 197 HB2 GLN 24 2HB GLN 24 5.671 -12.003 4.968 198 HB3 GLN 24 3HB GLN 24 7.141 -11.064 5.195 199 HG2 GLN 24 2HG GLN 24 6.356 -11.563 7.379 200 HG3 GLN 24 3HG GLN 24 5.968 -9.864 7.106 201 HE21 GLN 24 1HE2 GLN 24 4.306 -9.827 8.635 202 HE22 GLN 24 2HE2 GLN 24 2.800 -10.645 8.399 203 H LEU 25 H LEU 25 6.768 -8.283 2.920 204 HA LEU 25 HA LEU 25 6.789 -9.971 0.480 205 HB2 LEU 25 2HB LEU 25 6.873 -6.924 0.684 206 HB3 LEU 25 3HB LEU 25 6.981 -7.842 -0.812 207 HG LEU 25 HG LEU 25 4.551 -7.697 1.018 208 HD11 LEU 25 1HD1 LEU 25 3.479 -6.477 -0.821 209 HD12 LEU 25 2HD1 LEU 25 4.974 -6.533 -1.756 210 HD13 LEU 25 3HD1 LEU 25 4.910 -5.626 -0.243 211 HD21 LEU 25 3HD2 LEU 25 4.873 -9.199 -1.606 212 HD22 LEU 25 1HD2 LEU 25 3.358 -8.981 -0.724 213 HD23 LEU 25 2HD2 LEU 25 4.668 -9.913 -0.004 214 H TYR 26 H TYR 26 8.688 -9.677 -0.908 215 HA TYR 26 HA TYR 26 11.146 -8.601 0.251 216 HB2 TYR 26 2HB TYR 26 11.043 -10.895 1.214 217 HB3 TYR 26 3HB TYR 26 10.826 -11.583 -0.389 218 HD1 TYR 26 HD1 TYR 26 13.267 -9.844 1.834 219 HD2 TYR 26 HD2 TYR 26 12.757 -12.016 -1.812 220 HE1 TYR 26 HE1 TYR 26 15.702 -10.070 1.619 221 HE2 TYR 26 HE2 TYR 26 15.193 -12.240 -2.020 222 HH TYR 26 HH TYR 26 17.226 -11.171 -1.223 223 H ALA 27 H ALA 27 12.351 -7.739 -1.392 224 HA ALA 27 HA ALA 27 12.243 -8.841 -4.104 225 HB1 ALA 27 3HB ALA 27 10.339 -7.274 -4.051 226 HB2 ALA 27 1HB ALA 27 11.606 -6.698 -5.126 227 HB3 ALA 27 2HB ALA 27 11.412 -5.975 -3.529 228 H VAL 28 H VAL 28 13.988 -8.354 -5.327 229 HA VAL 28 HA VAL 28 16.426 -7.516 -4.166 230 HB VAL 28 HB VAL 28 15.736 -7.705 -7.144 231 HG11 VAL 28 1HG1 VAL 28 18.462 -7.841 -5.791 232 HG12 VAL 28 2HG1 VAL 28 17.851 -6.512 -6.780 233 HG13 VAL 28 3HG1 VAL 28 18.149 -8.088 -7.513 234 HG21 VAL 28 3HG2 VAL 28 16.836 -9.892 -5.339 235 HG22 VAL 28 1HG2 VAL 28 16.596 -10.012 -7.086 236 HG23 VAL 28 2HG2 VAL 28 15.207 -9.823 -6.015 237 H ARG 29 H ARG 29 14.250 -5.965 -6.529 238 HA ARG 29 HA ARG 29 15.541 -3.328 -6.071 239 HB2 ARG 29 2HB ARG 29 13.991 -4.259 -8.537 240 HB3 ARG 29 3HB ARG 29 14.825 -2.718 -8.346 241 HG2 ARG 29 2HG ARG 29 16.997 -3.915 -8.237 242 HG3 ARG 29 3HG ARG 29 16.148 -5.451 -8.439 243 HD2 ARG 29 2HD ARG 29 17.053 -4.817 -10.576 244 HD3 ARG 29 3HD ARG 29 15.299 -4.615 -10.658 245 HE ARG 29 HE ARG 29 16.762 -2.214 -9.937 246 HH11 ARG 29 1HH1 ARG 29 15.445 -4.056 -12.632 247 HH12 ARG 29 2HH1 ARG 29 15.431 -2.695 -13.706 248 HH21 ARG 29 1HH2 ARG 29 16.793 -0.463 -11.383 249 HH22 ARG 29 2HH2 ARG 29 16.191 -0.661 -13.002 250 H ASP 30 H ASP 30 14.105 -1.474 -6.163 251 HA ASP 30 HA ASP 30 11.602 -1.753 -4.819 252 HB2 ASP 30 2HB ASP 30 11.437 0.677 -5.003 253 HB3 ASP 30 3HB ASP 30 13.074 0.237 -4.547 254 H GLU 31 H GLU 31 12.589 -1.439 -8.167 255 HA GLU 31 HA GLU 31 10.204 -1.150 -9.565 256 HB2 GLU 31 2HB GLU 31 12.594 -2.940 -10.198 257 HB3 GLU 31 3HB GLU 31 11.343 -2.512 -11.362 258 HG2 GLU 31 2HG GLU 31 13.184 -0.533 -9.996 259 HG3 GLU 31 3HG GLU 31 13.450 -1.204 -11.605 260 H GLU 32 H GLU 32 11.567 -4.015 -8.036 261 HA GLU 32 HA GLU 32 9.629 -5.880 -9.061 262 HB2 GLU 32 2HB GLU 32 11.694 -6.169 -6.849 263 HB3 GLU 32 3HB GLU 32 10.778 -7.494 -7.558 264 HG2 GLU 32 2HG GLU 32 12.776 -5.741 -9.013 265 HG3 GLU 32 3HG GLU 32 13.078 -7.371 -8.423 266 H LEU 33 H LEU 33 9.784 -3.770 -6.295 267 HA LEU 33 HA LEU 33 7.968 -5.194 -4.603 268 HB2 LEU 33 2HB LEU 33 9.612 -2.940 -4.292 269 HB3 LEU 33 3HB LEU 33 8.013 -2.240 -4.229 270 HG LEU 33 HG LEU 33 8.793 -2.702 -1.969 271 HD11 LEU 33 1HD1 LEU 33 6.611 -4.691 -2.681 272 HD12 LEU 33 2HD1 LEU 33 6.388 -2.986 -2.285 273 HD13 LEU 33 3HD1 LEU 33 6.989 -4.096 -1.059 274 HD21 LEU 33 3HD2 LEU 33 9.342 -4.948 -1.165 275 HD22 LEU 33 1HD2 LEU 33 10.415 -4.468 -2.476 276 HD23 LEU 33 2HD2 LEU 33 9.104 -5.612 -2.782 277 H LYS 34 H LYS 34 7.590 -3.035 -7.306 278 HA LYS 34 HA LYS 34 5.090 -1.898 -6.956 279 HB2 LYS 34 2HB LYS 34 6.522 -2.776 -9.492 280 HB3 LYS 34 3HB LYS 34 5.006 -1.878 -9.524 281 HG2 LYS 34 2HG LYS 34 6.035 0.029 -8.442 282 HG3 LYS 34 3HG LYS 34 7.534 -0.870 -8.186 283 HD2 LYS 34 2HD LYS 34 7.542 0.785 -10.128 284 HD3 LYS 34 3HD LYS 34 8.070 -0.856 -10.504 285 HE2 LYS 34 2HE LYS 34 6.580 0.111 -12.252 286 HE3 LYS 34 3HE LYS 34 5.919 -1.360 -11.538 287 HZ1 LYS 34 3HZ LYS 34 5.127 1.419 -10.868 288 HZ2 LYS 34 1HZ LYS 34 4.498 0.035 -10.135 289 HZ3 LYS 34 2HZ LYS 34 4.218 0.322 -11.775 290 H GLU 35 H GLU 35 5.726 -4.827 -8.907 291 HA GLU 35 HA GLU 35 3.138 -5.640 -9.481 292 HB2 GLU 35 2HB GLU 35 4.187 -7.961 -9.752 293 HB3 GLU 35 3HB GLU 35 5.001 -6.666 -10.628 294 HG2 GLU 35 2HG GLU 35 6.766 -6.554 -8.969 295 HG3 GLU 35 3HG GLU 35 5.910 -7.668 -7.913 296 H LYS 36 H LYS 36 4.980 -6.117 -6.544 297 HA LYS 36 HA LYS 36 3.321 -8.194 -5.433 298 HB2 LYS 36 2HB LYS 36 5.439 -6.503 -4.032 299 HB3 LYS 36 3HB LYS 36 4.798 -8.060 -3.497 300 HG2 LYS 36 2HG LYS 36 5.742 -9.123 -5.541 301 HG3 LYS 36 3HG LYS 36 6.435 -7.567 -6.001 302 HD2 LYS 36 2HD LYS 36 7.780 -7.603 -3.878 303 HD3 LYS 36 3HD LYS 36 7.154 -9.226 -3.555 304 HE2 LYS 36 2HE LYS 36 8.932 -8.341 -5.848 305 HE3 LYS 36 3HE LYS 36 9.317 -9.487 -4.570 306 HZ1 LYS 36 3HZ LYS 36 8.875 -10.712 -6.524 307 HZ2 LYS 36 1HZ LYS 36 7.435 -9.877 -6.835 308 HZ3 LYS 36 2HZ LYS 36 7.537 -10.936 -5.519 309 H LEU 37 H LEU 37 3.725 -4.697 -4.915 310 HA LEU 37 HA LEU 37 1.764 -4.343 -2.921 311 HB2 LEU 37 2HB LEU 37 2.783 -2.430 -5.057 312 HB3 LEU 37 3HB LEU 37 1.696 -1.940 -3.764 313 HG LEU 37 HG LEU 37 4.480 -3.080 -3.302 314 HD11 LEU 37 1HD1 LEU 37 4.628 -0.934 -4.455 315 HD12 LEU 37 2HD1 LEU 37 5.172 -0.786 -2.786 316 HD13 LEU 37 3HD1 LEU 37 3.577 -0.186 -3.249 317 HD21 LEU 37 3HD2 LEU 37 4.193 -2.261 -0.993 318 HD22 LEU 37 1HD2 LEU 37 2.968 -3.461 -1.402 319 HD23 LEU 37 2HD2 LEU 37 2.546 -1.748 -1.367 320 H LYS 38 H LYS 38 1.492 -4.268 -6.511 321 HA LYS 38 HA LYS 38 -1.230 -3.662 -6.747 322 HB2 LYS 38 2HB LYS 38 0.462 -5.470 -8.533 323 HB3 LYS 38 3HB LYS 38 -1.109 -4.799 -8.971 324 HG2 LYS 38 2HG LYS 38 -0.185 -2.518 -8.848 325 HG3 LYS 38 3HG LYS 38 1.383 -3.178 -8.370 326 HD2 LYS 38 2HD LYS 38 1.431 -2.634 -10.744 327 HD3 LYS 38 3HD LYS 38 1.517 -4.386 -10.548 328 HE2 LYS 38 2HE LYS 38 -0.876 -4.580 -11.099 329 HE3 LYS 38 3HE LYS 38 -1.000 -2.822 -11.234 330 HZ1 LYS 38 3HZ LYS 38 0.627 -2.923 -13.051 331 HZ2 LYS 38 1HZ LYS 38 -0.787 -3.784 -13.400 332 HZ3 LYS 38 2HZ LYS 38 0.621 -4.612 -12.965 333 H LYS 39 H LYS 39 0.417 -6.797 -6.287 334 HA LYS 39 HA LYS 39 -1.907 -8.420 -6.330 335 HB2 LYS 39 2HB LYS 39 0.880 -8.839 -5.189 336 HB3 LYS 39 3HB LYS 39 -0.374 -10.056 -4.977 337 HG2 LYS 39 2HG LYS 39 0.682 -9.044 -7.637 338 HG3 LYS 39 3HG LYS 39 1.101 -10.578 -6.879 339 HD2 LYS 39 2HD LYS 39 -1.657 -9.773 -7.890 340 HD3 LYS 39 3HD LYS 39 -0.550 -10.905 -8.665 341 HE2 LYS 39 2HE LYS 39 -0.740 -12.442 -6.765 342 HE3 LYS 39 3HE LYS 39 -1.787 -11.298 -5.920 343 HZ1 LYS 39 3HZ LYS 39 -3.109 -12.992 -6.961 344 HZ2 LYS 39 1HZ LYS 39 -2.405 -12.695 -8.471 345 HZ3 LYS 39 2HZ LYS 39 -3.389 -11.529 -7.751 346 H VAL 40 H VAL 40 -0.051 -7.133 -3.534 347 HA VAL 40 HA VAL 40 -1.589 -8.084 -1.449 348 HB VAL 40 HB VAL 40 0.178 -5.619 -1.698 349 HG11 VAL 40 1HG1 VAL 40 -1.245 -6.474 0.850 350 HG12 VAL 40 2HG1 VAL 40 -1.481 -4.958 -0.021 351 HG13 VAL 40 3HG1 VAL 40 0.062 -5.289 0.764 352 HG21 VAL 40 3HG2 VAL 40 1.679 -6.917 -0.215 353 HG22 VAL 40 1HG2 VAL 40 1.266 -7.833 -1.667 354 HG23 VAL 40 2HG2 VAL 40 0.481 -8.212 -0.133 355 H LEU 41 H LEU 41 -2.042 -5.060 -3.261 356 HA LEU 41 HA LEU 41 -4.232 -4.134 -1.671 357 HB2 LEU 41 2HB LEU 41 -3.186 -3.249 -4.382 358 HB3 LEU 41 3HB LEU 41 -4.510 -2.445 -3.552 359 HG LEU 41 HG LEU 41 -1.676 -2.690 -2.458 360 HD11 LEU 41 1HD1 LEU 41 -1.748 -1.235 -4.420 361 HD12 LEU 41 2HD1 LEU 41 -1.445 -0.304 -2.956 362 HD13 LEU 41 3HD1 LEU 41 -3.050 -0.287 -3.696 363 HD21 LEU 41 3HD2 LEU 41 -3.322 -2.559 -0.652 364 HD22 LEU 41 1HD2 LEU 41 -4.053 -1.125 -1.386 365 HD23 LEU 41 2HD2 LEU 41 -2.406 -1.060 -0.757 366 H ASN 42 H ASN 42 -4.049 -5.592 -4.968 367 HA ASN 42 HA ASN 42 -6.830 -5.423 -5.473 368 HB2 ASN 42 2HB ASN 42 -4.869 -5.688 -7.168 369 HB3 ASN 42 3HB ASN 42 -4.978 -7.416 -6.847 370 HD21 ASN 42 1HD2 ASN 42 -5.658 -7.993 -8.873 371 HD22 ASN 42 2HD2 ASN 42 -7.170 -7.528 -9.564 372 H GLU 43 H GLU 43 -4.826 -8.147 -4.251 373 HA GLU 43 HA GLU 43 -6.870 -10.093 -4.054 374 HB2 GLU 43 2HB GLU 43 -4.352 -9.747 -2.367 375 HB3 GLU 43 3HB GLU 43 -5.426 -11.133 -2.227 376 HG2 GLU 43 2HG GLU 43 -3.833 -10.353 -4.682 377 HG3 GLU 43 3HG GLU 43 -3.449 -11.659 -3.563 378 H ARG 44 H ARG 44 -5.711 -7.637 -1.767 379 HA ARG 44 HA ARG 44 -7.434 -8.180 0.397 380 HB2 ARG 44 2HB ARG 44 -5.540 -6.764 0.811 381 HB3 ARG 44 3HB ARG 44 -5.916 -5.706 -0.541 382 HG2 ARG 44 2HG ARG 44 -6.327 -4.546 1.546 383 HG3 ARG 44 3HG ARG 44 -7.855 -4.807 0.708 384 HD2 ARG 44 2HD ARG 44 -8.604 -5.570 2.708 385 HD3 ARG 44 3HD ARG 44 -7.714 -7.048 2.348 386 HE ARG 44 HE ARG 44 -5.994 -5.181 3.591 387 HH11 ARG 44 1HH1 ARG 44 -8.698 -7.286 4.332 388 HH12 ARG 44 2HH1 ARG 44 -8.273 -7.455 6.002 389 HH21 ARG 44 1HH2 ARG 44 -5.512 -5.321 5.828 390 HH22 ARG 44 2HH2 ARG 44 -6.475 -6.344 6.846 391 H MET 45 H MET 45 -7.881 -6.196 -2.519 392 HA MET 45 HA MET 45 -10.379 -5.093 -1.456 393 HB2 MET 45 2HB MET 45 -8.742 -4.237 -3.859 394 HB3 MET 45 3HB MET 45 -10.244 -3.475 -3.346 395 HG2 MET 45 2HG MET 45 -9.148 -2.962 -1.133 396 HG3 MET 45 3HG MET 45 -7.635 -3.562 -1.813 397 HE1 MET 45 3HE MET 45 -9.866 0.184 -3.303 398 HE2 MET 45 1HE MET 45 -10.349 -0.748 -1.885 399 HE3 MET 45 2HE MET 45 -10.519 -1.445 -3.496 400 H ASP 46 H ASP 46 -9.688 -7.807 -3.113 401 HA ASP 46 HA ASP 46 -11.950 -7.817 -4.885 402 HB2 ASP 46 2HB ASP 46 -10.070 -9.339 -5.313 403 HB3 ASP 46 3HB ASP 46 -10.337 -10.164 -3.783 404 HA PRO 47 HA PRO 47 -14.136 -9.947 -0.871 405 HB2 PRO 47 2HB PRO 47 -12.500 -8.482 1.184 406 HB3 PRO 47 3HB PRO 47 -13.203 -10.110 1.240 407 HG2 PRO 47 2HG PRO 47 -10.543 -9.617 0.848 408 HG3 PRO 47 3HG PRO 47 -11.365 -11.079 0.292 409 HD2 PRO 47 2HD PRO 47 -10.342 -8.818 -1.287 410 HD3 PRO 47 3HD PRO 47 -10.775 -10.455 -1.818 411 H ILE 48 H ILE 48 -12.580 -6.778 -1.035 412 HA ILE 48 HA ILE 48 -14.479 -5.310 0.481 413 HB ILE 48 HB ILE 48 -12.334 -4.375 -1.480 414 HG12 ILE 48 2HG1 ILE 48 -11.394 -5.681 0.376 415 HG13 ILE 48 3HG1 ILE 48 -10.931 -3.998 0.540 416 HG21 ILE 48 1HG2 ILE 48 -13.754 -2.693 0.595 417 HG22 ILE 48 2HG2 ILE 48 -13.949 -2.572 -1.152 418 HG23 ILE 48 3HG2 ILE 48 -12.400 -2.181 -0.408 419 HD11 ILE 48 3HD1 ILE 48 -12.614 -3.733 2.313 420 HD12 ILE 48 1HD1 ILE 48 -11.428 -4.985 2.680 421 HD13 ILE 48 2HD1 ILE 48 -13.041 -5.436 2.140 422 H LYS 49 H LYS 49 -14.236 -6.077 -2.974 423 HA LYS 49 HA LYS 49 -16.260 -4.324 -3.980 424 HB2 LYS 49 2HB LYS 49 -15.334 -7.043 -5.008 425 HB3 LYS 49 3HB LYS 49 -16.353 -5.925 -5.912 426 HG2 LYS 49 2HG LYS 49 -14.550 -4.319 -6.092 427 HG3 LYS 49 3HG LYS 49 -13.531 -5.275 -5.005 428 HD2 LYS 49 2HD LYS 49 -13.542 -7.136 -6.665 429 HD3 LYS 49 3HD LYS 49 -14.519 -6.146 -7.753 430 HE2 LYS 49 2HE LYS 49 -12.692 -4.528 -7.945 431 HE3 LYS 49 3HE LYS 49 -11.724 -5.461 -6.797 432 HZ1 LYS 49 3HZ LYS 49 -11.757 -7.318 -8.362 433 HZ2 LYS 49 1HZ LYS 49 -11.081 -5.938 -9.061 434 HZ3 LYS 49 2HZ LYS 49 -12.654 -6.399 -9.458 435 H LYS 50 H LYS 50 -16.263 -7.696 -2.894 436 HA LYS 50 HA LYS 50 -19.000 -8.295 -3.138 437 HB2 LYS 50 2HB LYS 50 -17.367 -10.051 -2.928 438 HB3 LYS 50 3HB LYS 50 -16.765 -9.423 -1.409 439 HG2 LYS 50 2HG LYS 50 -19.619 -10.369 -1.504 440 HG3 LYS 50 3HG LYS 50 -18.349 -11.587 -1.540 441 HD2 LYS 50 2HD LYS 50 -18.767 -9.496 0.628 442 HD3 LYS 50 3HD LYS 50 -19.161 -11.212 0.752 443 HE2 LYS 50 2HE LYS 50 -16.381 -10.016 0.461 444 HE3 LYS 50 3HE LYS 50 -17.061 -10.751 1.908 445 HZ1 LYS 50 3HZ LYS 50 -16.407 -12.131 -0.636 446 HZ2 LYS 50 1HZ LYS 50 -17.204 -12.852 0.662 447 HZ3 LYS 50 2HZ LYS 50 -15.624 -12.300 0.848 448 H LEU 51 H LEU 51 -17.188 -6.724 -0.526 449 HA LEU 51 HA LEU 51 -19.332 -6.622 1.375 450 HB2 LEU 51 2HB LEU 51 -16.815 -4.923 1.174 451 HB3 LEU 51 3HB LEU 51 -17.886 -4.976 2.569 452 HG LEU 51 HG LEU 51 -16.257 -7.324 1.521 453 HD11 LEU 51 1HD1 LEU 51 -14.835 -5.590 2.501 454 HD12 LEU 51 2HD1 LEU 51 -14.844 -7.057 3.474 455 HD13 LEU 51 3HD1 LEU 51 -15.775 -5.648 3.994 456 HD21 LEU 51 3HD2 LEU 51 -18.000 -7.128 3.991 457 HD22 LEU 51 1HD2 LEU 51 -16.907 -8.461 3.613 458 HD23 LEU 51 2HD2 LEU 51 -18.282 -8.131 2.563 459 H GLY 52 H GLY 52 -18.260 -4.579 -1.278 460 HA2 GLY 52 2HA GLY 52 -19.388 -3.003 -2.496 461 HA3 GLY 52 3HA GLY 52 -20.828 -3.378 -1.563 462 H CYS 53 H CYS 53 -17.913 -1.413 -1.682 463 HA CYS 53 HA CYS 53 -18.984 0.368 0.429 464 HB2 CYS 53 2HB CYS 53 -16.122 -0.549 -0.043 465 HB3 CYS 53 3HB CYS 53 -16.575 0.733 1.084 466 H LYS 54 H LYS 54 -19.090 2.474 -0.058 467 HA LYS 54 HA LYS 54 -18.700 3.493 -2.664 468 HB2 LYS 54 2HB LYS 54 -19.061 4.924 0.006 469 HB3 LYS 54 3HB LYS 54 -19.043 5.767 -1.538 470 HG2 LYS 54 2HG LYS 54 -21.055 3.630 -0.772 471 HG3 LYS 54 3HG LYS 54 -21.321 5.369 -0.620 472 HD2 LYS 54 2HD LYS 54 -20.929 5.572 -3.107 473 HD3 LYS 54 3HD LYS 54 -20.864 3.808 -3.188 474 HE2 LYS 54 2HE LYS 54 -23.169 3.648 -2.405 475 HE3 LYS 54 3HE LYS 54 -23.242 5.396 -2.165 476 HZ1 LYS 54 3HZ LYS 54 -22.885 5.665 -4.572 477 HZ2 LYS 54 1HZ LYS 54 -24.303 4.816 -4.216 478 HZ3 LYS 54 2HZ LYS 54 -22.938 3.984 -4.762 479 H ARG 55 H ARG 55 -17.000 4.401 0.332 480 HA ARG 55 HA ARG 55 -14.516 4.959 -1.190 481 HB2 ARG 55 2HB ARG 55 -15.686 7.080 -0.662 482 HB3 ARG 55 3HB ARG 55 -15.801 6.622 1.031 483 HG2 ARG 55 2HG ARG 55 -13.331 6.771 1.239 484 HG3 ARG 55 3HG ARG 55 -13.216 7.244 -0.459 485 HD2 ARG 55 2HD ARG 55 -14.603 9.259 0.032 486 HD3 ARG 55 3HD ARG 55 -14.668 8.785 1.730 487 HE ARG 55 HE ARG 55 -12.104 8.998 1.587 488 HH11 ARG 55 1HH1 ARG 55 -14.371 11.048 -0.171 489 HH12 ARG 55 2HH1 ARG 55 -13.293 12.411 -0.191 490 HH21 ARG 55 1HH2 ARG 55 -10.753 10.823 1.623 491 HH22 ARG 55 2HH2 ARG 55 -11.250 12.280 0.820 492 H VAL 56 H VAL 56 -12.813 3.910 -0.346 493 HA VAL 56 HA VAL 56 -12.970 2.835 2.418 494 HB VAL 56 HB VAL 56 -11.531 0.969 1.732 495 HG11 VAL 56 1HG1 VAL 56 -13.151 -0.279 0.337 496 HG12 VAL 56 2HG1 VAL 56 -13.995 1.228 -0.026 497 HG13 VAL 56 3HG1 VAL 56 -13.938 0.622 1.631 498 HG21 VAL 56 3HG2 VAL 56 -10.267 2.032 -0.100 499 HG22 VAL 56 1HG2 VAL 56 -11.712 2.035 -1.115 500 HG23 VAL 56 2HG2 VAL 56 -10.974 0.506 -0.627 501 H ARG 57 H ARG 57 -11.236 3.153 3.738 502 HA ARG 57 HA ARG 57 -9.052 4.899 2.768 503 HB2 ARG 57 2HB ARG 57 -10.382 5.901 4.570 504 HB3 ARG 57 3HB ARG 57 -10.169 4.473 5.579 505 HG2 ARG 57 2HG ARG 57 -7.806 4.935 5.856 506 HG3 ARG 57 3HG ARG 57 -7.865 6.234 4.665 507 HD2 ARG 57 2HD ARG 57 -9.372 6.274 7.305 508 HD3 ARG 57 3HD ARG 57 -7.795 7.026 7.042 509 HE ARG 57 HE ARG 57 -9.923 7.848 5.227 510 HH11 ARG 57 1HH1 ARG 57 -8.177 8.652 8.191 511 HH12 ARG 57 2HH1 ARG 57 -8.648 10.321 8.143 512 HH21 ARG 57 1HH2 ARG 57 -10.462 10.037 5.155 513 HH22 ARG 57 2HH2 ARG 57 -9.938 11.106 6.425 514 H ILE 58 H ILE 58 -7.408 3.661 2.192 515 HA ILE 58 HA ILE 58 -6.721 1.162 3.578 516 HB ILE 58 HB ILE 58 -5.453 2.373 1.057 517 HG12 ILE 58 2HG1 ILE 58 -7.604 0.206 1.241 518 HG13 ILE 58 3HG1 ILE 58 -7.873 1.859 0.698 519 HG21 ILE 58 1HG2 ILE 58 -3.984 0.766 2.229 520 HG22 ILE 58 2HG2 ILE 58 -4.534 0.097 0.694 521 HG23 ILE 58 3HG2 ILE 58 -5.266 -0.448 2.204 522 HD11 ILE 58 3HD1 ILE 58 -7.748 0.340 -1.161 523 HD12 ILE 58 1HD1 ILE 58 -6.142 -0.194 -0.668 524 HD13 ILE 58 2HD1 ILE 58 -6.396 1.469 -1.208 525 H SER 59 H SER 59 -5.341 1.378 5.229 526 HA SER 59 HA SER 59 -3.498 3.670 5.430 527 HB2 SER 59 2HB SER 59 -5.126 3.458 7.263 528 HB3 SER 59 3HB SER 59 -4.688 1.772 7.516 529 HG SER 59 HG SER 59 -2.899 3.947 7.826 530 H ILE 60 H ILE 60 -1.627 3.024 4.435 531 HA ILE 60 HA ILE 60 -0.553 0.301 4.906 532 HB ILE 60 HB ILE 60 0.151 2.333 2.734 533 HG12 ILE 60 2HG1 ILE 60 -1.307 -0.342 2.503 534 HG13 ILE 60 3HG1 ILE 60 -2.074 1.240 2.422 535 HG21 ILE 60 1HG2 ILE 60 1.243 -0.483 3.119 536 HG22 ILE 60 2HG2 ILE 60 2.144 1.017 3.344 537 HG23 ILE 60 3HG2 ILE 60 1.577 0.564 1.737 538 HD11 ILE 60 3HD1 ILE 60 -1.818 0.323 0.220 539 HD12 ILE 60 1HD1 ILE 60 -0.081 0.119 0.454 540 HD13 ILE 60 2HD1 ILE 60 -0.783 1.739 0.387 541 H ARG 61 H ARG 61 0.882 0.254 6.551 542 HA ARG 61 HA ARG 61 2.860 2.459 6.768 543 HB2 ARG 61 2HB ARG 61 1.539 1.991 8.858 544 HB3 ARG 61 3HB ARG 61 2.190 0.351 8.877 545 HG2 ARG 61 2HG ARG 61 4.483 1.267 9.077 546 HG3 ARG 61 3HG ARG 61 3.831 2.904 9.058 547 HD2 ARG 61 2HD ARG 61 2.699 2.513 11.192 548 HD3 ARG 61 3HD ARG 61 3.233 0.824 11.192 549 HE ARG 61 HE ARG 61 5.465 2.562 10.954 550 HH11 ARG 61 1HH1 ARG 61 3.176 1.456 13.384 551 HH12 ARG 61 2HH1 ARG 61 4.271 1.718 14.708 552 HH21 ARG 61 1HH2 ARG 61 6.879 2.942 12.693 553 HH22 ARG 61 2HH2 ARG 61 6.368 2.557 14.317 554 H VAL 62 H VAL 62 4.878 2.030 6.215 555 HA VAL 62 HA VAL 62 5.691 -0.694 5.450 556 HB VAL 62 HB VAL 62 6.046 1.164 3.798 557 HG11 VAL 62 1HG1 VAL 62 8.017 2.308 5.800 558 HG12 VAL 62 2HG1 VAL 62 6.476 3.032 5.332 559 HG13 VAL 62 3HG1 VAL 62 7.773 2.875 4.145 560 HG21 VAL 62 3HG2 VAL 62 7.514 -0.780 3.679 561 HG22 VAL 62 1HG2 VAL 62 8.640 -0.043 4.817 562 HG23 VAL 62 2HG2 VAL 62 8.399 0.671 3.217 563 H LYS 63 H LYS 63 7.503 -1.691 6.435 564 HA LYS 63 HA LYS 63 8.344 -0.712 9.026 565 HB2 LYS 63 2HB LYS 63 8.054 -3.141 8.651 566 HB3 LYS 63 3HB LYS 63 9.320 -3.116 7.423 567 HG2 LYS 63 2HG LYS 63 11.008 -2.561 9.068 568 HG3 LYS 63 3HG LYS 63 9.790 -2.333 10.323 569 HD2 LYS 63 2HD LYS 63 10.355 -4.977 8.938 570 HD3 LYS 63 3HD LYS 63 11.044 -4.499 10.491 571 HE2 LYS 63 2HE LYS 63 8.085 -4.838 9.895 572 HE3 LYS 63 3HE LYS 63 9.095 -5.972 10.789 573 HZ1 LYS 63 3HZ LYS 63 7.759 -4.531 12.231 574 HZ2 LYS 63 1HZ LYS 63 8.564 -3.174 11.637 575 HZ3 LYS 63 2HZ LYS 63 9.412 -4.346 12.504 576 H HIS 64 H HIS 64 10.307 0.165 9.527 577 HA HIS 64 HA HIS 64 11.637 1.622 7.381 578 HB2 HIS 64 2HB HIS 64 11.770 1.805 10.424 579 HB3 HIS 64 3HB HIS 64 12.728 2.828 9.357 580 HD1 HIS 64 HD1 HIS 64 11.325 4.715 10.737 581 HD2 HIS 64 HD2 HIS 64 9.208 2.516 7.920 582 HE1 HIS 64 HE1 HIS 64 9.251 6.034 10.269 583 HE2 HIS 64 HE2 HIS 64 7.912 4.591 8.724 584 H SER 65 H SER 65 13.594 1.124 6.582 585 HA SER 65 HA SER 65 14.997 -1.244 7.253 586 HB2 SER 65 2HB SER 65 15.917 1.127 5.571 587 HB3 SER 65 3HB SER 65 16.625 -0.492 5.547 588 HG SER 65 HG SER 65 14.990 0.064 3.871 589 H ASP 66 H ASP 66 16.207 2.119 7.441 590 HA ASP 66 HA ASP 66 17.323 1.837 10.080 591 HB2 ASP 66 2HB ASP 66 19.077 0.618 8.839 592 HB3 ASP 66 3HB ASP 66 19.231 1.937 7.684 593 H ALA 67 H ALA 67 18.173 3.907 10.851 594 HA ALA 67 HA ALA 67 16.559 6.070 10.164 595 HB1 ALA 67 3HB ALA 67 17.905 7.379 11.733 596 HB2 ALA 67 1HB ALA 67 19.178 6.150 11.695 597 HB3 ALA 67 2HB ALA 67 17.593 5.768 12.371 598 H ALA 68 H ALA 68 19.819 5.325 9.013 599 HA ALA 68 HA ALA 68 20.372 7.766 7.661 600 HB1 ALA 68 3HB ALA 68 22.073 6.460 6.431 601 HB2 ALA 68 1HB ALA 68 21.360 4.959 7.050 602 HB3 ALA 68 2HB ALA 68 22.117 6.100 8.156 603 H GLU 69 H GLU 69 18.787 4.759 6.703 604 HA GLU 69 HA GLU 69 18.462 5.361 3.940 605 HB2 GLU 69 2HB GLU 69 16.949 3.345 5.662 606 HB3 GLU 69 3HB GLU 69 16.974 3.375 3.901 607 HG2 GLU 69 2HG GLU 69 19.337 2.850 5.715 608 HG3 GLU 69 3HG GLU 69 18.460 1.647 4.773 609 H GLU 70 H GLU 70 16.308 5.613 6.766 610 HA GLU 70 HA GLU 70 13.813 5.484 5.691 611 HB2 GLU 70 2HB GLU 70 14.757 7.111 8.072 612 HB3 GLU 70 3HB GLU 70 13.052 6.869 7.698 613 HG2 GLU 70 2HG GLU 70 13.281 4.467 7.979 614 HG3 GLU 70 3HG GLU 70 15.021 4.635 8.212 615 H LYS 71 H LYS 71 15.799 8.367 5.693 616 HA LYS 71 HA LYS 71 13.810 10.296 5.083 617 HB2 LYS 71 2HB LYS 71 16.799 10.366 4.482 618 HB3 LYS 71 3HB LYS 71 15.722 11.763 4.562 619 HG2 LYS 71 2HG LYS 71 15.313 11.330 6.950 620 HG3 LYS 71 3HG LYS 71 16.362 9.910 6.875 621 HD2 LYS 71 2HD LYS 71 18.300 11.330 6.375 622 HD3 LYS 71 3HD LYS 71 17.267 12.766 6.343 623 HE2 LYS 71 2HE LYS 71 17.829 11.004 8.754 624 HE3 LYS 71 3HE LYS 71 18.447 12.631 8.475 625 HZ1 LYS 71 3HZ LYS 71 15.619 11.858 8.943 626 HZ2 LYS 71 1HZ LYS 71 16.111 13.412 8.495 627 HZ3 LYS 71 2HZ LYS 71 16.612 12.759 9.970 628 H LYS 72 H LYS 72 16.196 8.634 3.040 629 HA LYS 72 HA LYS 72 15.004 9.509 0.554 630 HB2 LYS 72 2HB LYS 72 17.479 9.206 0.876 631 HB3 LYS 72 3HB LYS 72 17.231 7.474 1.059 632 HG2 LYS 72 2HG LYS 72 18.028 8.039 -1.193 633 HG3 LYS 72 3HG LYS 72 16.410 7.328 -1.256 634 HD2 LYS 72 2HD LYS 72 15.441 9.613 -1.460 635 HD3 LYS 72 3HD LYS 72 17.069 10.299 -1.448 636 HE2 LYS 72 2HE LYS 72 15.960 8.394 -3.538 637 HE3 LYS 72 3HE LYS 72 16.146 10.137 -3.725 638 HZ1 LYS 72 3HZ LYS 72 18.546 9.847 -3.449 639 HZ2 LYS 72 1HZ LYS 72 17.953 8.985 -4.776 640 HZ3 LYS 72 2HZ LYS 72 18.340 8.175 -3.347 641 H GLU 73 H GLU 73 14.784 6.718 2.649 642 HA GLU 73 HA GLU 73 13.991 4.726 0.774 643 HB2 GLU 73 2HB GLU 73 15.029 4.303 3.065 644 HB3 GLU 73 3HB GLU 73 13.498 4.765 3.789 645 HG2 GLU 73 2HG GLU 73 13.522 2.398 3.801 646 HG3 GLU 73 3HG GLU 73 12.434 2.841 2.491 647 H ALA 74 H ALA 74 12.285 6.919 2.969 648 HA ALA 74 HA ALA 74 9.645 5.978 2.563 649 HB1 ALA 74 3HB ALA 74 10.252 7.410 4.454 650 HB2 ALA 74 1HB ALA 74 8.928 8.119 3.533 651 HB3 ALA 74 2HB ALA 74 10.567 8.759 3.358 652 H LYS 75 H LYS 75 11.393 8.738 1.081 653 HA LYS 75 HA LYS 75 9.489 9.587 -0.788 654 HB2 LYS 75 2HB LYS 75 11.528 10.864 -0.140 655 HB3 LYS 75 3HB LYS 75 12.544 9.685 -0.955 656 HG2 LYS 75 2HG LYS 75 12.350 11.681 -2.325 657 HG3 LYS 75 3HG LYS 75 11.529 10.343 -3.135 658 HD2 LYS 75 2HD LYS 75 9.342 11.211 -2.309 659 HD3 LYS 75 3HD LYS 75 10.179 12.565 -1.541 660 HE2 LYS 75 2HE LYS 75 9.167 13.203 -3.706 661 HE3 LYS 75 3HE LYS 75 10.921 13.376 -3.739 662 HZ1 LYS 75 3HZ LYS 75 11.105 11.350 -4.972 663 HZ2 LYS 75 1HZ LYS 75 9.981 12.339 -5.749 664 HZ3 LYS 75 2HZ LYS 75 9.457 11.031 -4.824 665 H LYS 76 H LYS 76 11.972 7.132 -1.019 666 HA LYS 76 HA LYS 76 11.874 6.490 -3.782 667 HB2 LYS 76 2HB LYS 76 13.817 5.922 -2.500 668 HB3 LYS 76 3HB LYS 76 12.871 5.095 -1.277 669 HG2 LYS 76 2HG LYS 76 12.386 3.295 -2.983 670 HG3 LYS 76 3HG LYS 76 13.534 4.095 -4.067 671 HD2 LYS 76 2HD LYS 76 15.363 3.751 -2.508 672 HD3 LYS 76 3HD LYS 76 14.256 3.225 -1.237 673 HE2 LYS 76 2HE LYS 76 13.681 1.245 -2.747 674 HE3 LYS 76 3HE LYS 76 15.061 1.724 -3.741 675 HZ1 LYS 76 3HZ LYS 76 15.724 0.062 -2.152 676 HZ2 LYS 76 1HZ LYS 76 15.129 0.981 -0.860 677 HZ3 LYS 76 2HZ LYS 76 16.468 1.522 -1.744 678 H PHE 77 H PHE 77 10.396 4.969 -0.901 679 HA PHE 77 HA PHE 77 9.002 2.945 -2.409 680 HB2 PHE 77 2HB PHE 77 9.855 2.607 -0.065 681 HB3 PHE 77 3HB PHE 77 8.648 3.748 0.521 682 HD1 PHE 77 HD1 PHE 77 8.791 0.655 -1.643 683 HD2 PHE 77 HD2 PHE 77 6.708 2.755 1.451 684 HE1 PHE 77 HE1 PHE 77 7.196 -1.201 -1.446 685 HE2 PHE 77 HE2 PHE 77 5.116 0.881 1.641 686 HZ PHE 77 HZ PHE 77 5.359 -1.096 0.191 687 H ALA 78 H ALA 78 8.341 6.161 -1.301 688 HA ALA 78 HA ALA 78 5.493 6.184 -1.580 689 HB1 ALA 78 3HB ALA 78 5.707 8.634 -1.566 690 HB2 ALA 78 1HB ALA 78 7.460 8.497 -1.772 691 HB3 ALA 78 2HB ALA 78 6.691 7.906 -0.299 692 H ALA 79 H ALA 79 8.202 6.748 -3.796 693 HA ALA 79 HA ALA 79 6.717 7.554 -6.083 694 HB1 ALA 79 3HB ALA 79 9.412 6.152 -5.925 695 HB2 ALA 79 1HB ALA 79 9.151 7.893 -5.856 696 HB3 ALA 79 2HB ALA 79 8.770 7.007 -7.333 697 H ILE 80 H ILE 80 7.787 4.416 -4.853 698 HA ILE 80 HA ILE 80 6.882 2.782 -6.998 699 HB ILE 80 HB ILE 80 7.519 2.113 -4.086 700 HG12 ILE 80 2HG1 ILE 80 9.437 2.993 -5.334 701 HG13 ILE 80 3HG1 ILE 80 9.674 1.276 -5.033 702 HG21 ILE 80 1HG2 ILE 80 7.129 0.151 -6.376 703 HG22 ILE 80 2HG2 ILE 80 6.065 0.344 -4.985 704 HG23 ILE 80 3HG2 ILE 80 7.707 -0.254 -4.758 705 HD11 ILE 80 3HD1 ILE 80 8.815 2.539 -7.641 706 HD12 ILE 80 1HD1 ILE 80 8.967 0.801 -7.361 707 HD13 ILE 80 2HD1 ILE 80 10.386 1.841 -7.261 708 H LEU 81 H LEU 81 5.420 3.785 -3.911 709 HA LEU 81 HA LEU 81 3.032 2.262 -4.063 710 HB2 LEU 81 2HB LEU 81 3.820 4.781 -2.551 711 HB3 LEU 81 3HB LEU 81 2.180 4.170 -2.469 712 HG LEU 81 HG LEU 81 4.648 2.626 -1.567 713 HD11 LEU 81 1HD1 LEU 81 2.535 4.023 0.113 714 HD12 LEU 81 2HD1 LEU 81 4.205 4.550 -0.113 715 HD13 LEU 81 3HD1 LEU 81 3.870 3.036 0.722 716 HD21 LEU 81 3HD2 LEU 81 1.703 1.928 -1.249 717 HD22 LEU 81 1HD2 LEU 81 3.063 1.033 -0.567 718 HD23 LEU 81 2HD2 LEU 81 2.857 1.118 -2.313 719 H ASN 82 H ASN 82 3.905 5.565 -5.017 720 HA ASN 82 HA ASN 82 1.425 6.597 -5.801 721 HB2 ASN 82 2HB ASN 82 3.350 8.054 -5.472 722 HB3 ASN 82 3HB ASN 82 4.253 7.257 -6.751 723 HD21 ASN 82 1HD2 ASN 82 1.599 9.440 -6.071 724 HD22 ASN 82 2HD2 ASN 82 1.536 10.146 -7.640 725 H LYS 83 H LYS 83 3.867 4.825 -7.676 726 HA LYS 83 HA LYS 83 2.552 4.996 -10.195 727 HB2 LYS 83 2HB LYS 83 4.729 3.157 -9.146 728 HB3 LYS 83 3HB LYS 83 4.100 3.009 -10.783 729 HG2 LYS 83 2HG LYS 83 5.529 5.421 -9.610 730 HG3 LYS 83 3HG LYS 83 6.158 4.285 -10.807 731 HD2 LYS 83 2HD LYS 83 4.314 5.013 -12.376 732 HD3 LYS 83 3HD LYS 83 3.867 6.251 -11.197 733 HE2 LYS 83 2HE LYS 83 6.527 6.022 -12.644 734 HE3 LYS 83 3HE LYS 83 5.263 7.205 -12.964 735 HZ1 LYS 83 3HZ LYS 83 6.760 6.976 -10.413 736 HZ2 LYS 83 1HZ LYS 83 5.617 8.155 -10.803 737 HZ3 LYS 83 2HZ LYS 83 7.085 8.099 -11.632 738 H VAL 84 H VAL 84 2.438 2.586 -7.575 739 HA VAL 84 HA VAL 84 0.989 0.566 -8.984 740 HB VAL 84 HB VAL 84 1.400 1.095 -5.999 741 HG11 VAL 84 1HG1 VAL 84 0.006 -1.309 -7.246 742 HG12 VAL 84 2HG1 VAL 84 -0.722 -0.107 -6.178 743 HG13 VAL 84 3HG1 VAL 84 0.521 -1.194 -5.561 744 HG21 VAL 84 3HG2 VAL 84 3.404 0.430 -7.271 745 HG22 VAL 84 1HG2 VAL 84 2.573 -1.011 -7.857 746 HG23 VAL 84 2HG2 VAL 84 2.934 -0.835 -6.138 747 H PHE 85 H PHE 85 0.071 3.242 -6.880 748 HA PHE 85 HA PHE 85 -2.721 2.798 -6.815 749 HB2 PHE 85 2HB PHE 85 -1.222 5.434 -6.494 750 HB3 PHE 85 3HB PHE 85 -2.898 5.147 -6.030 751 HD1 PHE 85 HD1 PHE 85 -2.376 2.277 -4.851 752 HD2 PHE 85 HD2 PHE 85 -0.464 6.066 -4.285 753 HE1 PHE 85 HE1 PHE 85 -1.616 1.574 -2.619 754 HE2 PHE 85 HE2 PHE 85 0.287 5.342 -2.061 755 HZ PHE 85 HZ PHE 85 -0.286 3.098 -1.229 756 H ALA 86 H ALA 86 -0.663 4.670 -9.030 757 HA ALA 86 HA ALA 86 -2.748 5.754 -10.653 758 HB1 ALA 86 3HB ALA 86 -0.947 6.270 -12.258 759 HB2 ALA 86 1HB ALA 86 0.168 5.242 -11.340 760 HB3 ALA 86 2HB ALA 86 -0.490 6.706 -10.614 761 H GLU 87 H GLU 87 -1.213 2.621 -10.559 762 HA GLU 87 HA GLU 87 -2.045 1.738 -13.202 763 HB2 GLU 87 2HB GLU 87 -0.859 0.237 -10.818 764 HB3 GLU 87 3HB GLU 87 -1.240 -0.524 -12.362 765 HG2 GLU 87 2HG GLU 87 0.390 0.916 -13.505 766 HG3 GLU 87 3HG GLU 87 0.736 1.744 -11.989 767 H LEU 88 H LEU 88 -3.549 2.008 -10.123 768 HA LEU 88 HA LEU 88 -5.460 -0.192 -10.674 769 HB2 LEU 88 2HB LEU 88 -4.686 1.043 -7.993 770 HB3 LEU 88 3HB LEU 88 -5.933 -0.173 -8.214 771 HG LEU 88 HG LEU 88 -2.956 -0.581 -8.724 772 HD11 LEU 88 1HD1 LEU 88 -3.451 -0.445 -6.341 773 HD12 LEU 88 2HD1 LEU 88 -3.007 -2.090 -6.785 774 HD13 LEU 88 3HD1 LEU 88 -4.703 -1.681 -6.500 775 HD21 LEU 88 3HD2 LEU 88 -3.481 -2.968 -9.062 776 HD22 LEU 88 1HD2 LEU 88 -4.241 -1.948 -10.285 777 HD23 LEU 88 2HD2 LEU 88 -5.207 -2.604 -8.963 778 H GLY 89 H GLY 89 -5.092 3.234 -10.188 779 HA2 GLY 89 2HA GLY 89 -6.665 4.761 -11.114 780 HA3 GLY 89 3HA GLY 89 -7.969 3.648 -10.744 781 H TYR 90 H TYR 90 -5.413 4.692 -8.514 782 HA TYR 90 HA TYR 90 -7.338 6.360 -6.997 783 HB2 TYR 90 2HB TYR 90 -4.678 5.377 -5.886 784 HB3 TYR 90 3HB TYR 90 -6.084 5.947 -4.998 785 HD1 TYR 90 HD2 TYR 90 -8.312 4.337 -5.684 786 HD2 TYR 90 HD1 TYR 90 -4.214 3.127 -5.529 787 HE1 TYR 90 HE2 TYR 90 -8.999 1.998 -5.359 788 HE2 TYR 90 HE1 TYR 90 -4.909 0.800 -5.204 789 HH TYR 90 HH TYR 90 -6.920 -0.418 -4.337 790 H ASN 91 H ASN 91 -6.811 8.502 -6.734 791 HA ASN 91 HA ASN 91 -4.819 9.599 -8.566 792 HB2 ASN 91 2HB ASN 91 -7.211 10.464 -8.366 793 HB3 ASN 91 3HB ASN 91 -6.803 11.083 -6.774 794 HD21 ASN 91 1HD2 ASN 91 -6.506 11.565 -10.183 795 HD22 ASN 91 2HD2 ASN 91 -5.745 13.112 -10.116 796 H ASP 92 H ASP 92 -3.276 11.261 -7.881 797 HA ASP 92 HA ASP 92 -1.631 10.679 -5.696 798 HB2 ASP 92 2HB ASP 92 -1.881 13.332 -7.201 799 HB3 ASP 92 3HB ASP 92 -0.542 12.895 -6.145 800 H SER 93 H SER 93 -4.176 13.087 -6.034 801 HA SER 93 HA SER 93 -3.942 14.483 -3.625 802 HB2 SER 93 2HB SER 93 -5.321 15.210 -5.569 803 HB3 SER 93 3HB SER 93 -6.490 13.936 -5.222 804 HG SER 93 HG SER 93 -5.799 16.176 -3.619 805 H ASN 94 H ASN 94 -5.605 11.446 -4.356 806 HA ASN 94 HA ASN 94 -7.069 11.071 -1.955 807 HB2 ASN 94 2HB ASN 94 -5.937 8.958 -3.851 808 HB3 ASN 94 3HB ASN 94 -7.173 8.676 -2.627 809 HD21 ASN 94 1HD2 ASN 94 -8.499 7.879 -4.336 810 HD22 ASN 94 2HD2 ASN 94 -9.339 8.961 -5.389 811 H VAL 95 H VAL 95 -3.736 10.618 -2.729 812 HA VAL 95 HA VAL 95 -3.125 8.861 -0.462 813 HB VAL 95 HB VAL 95 -1.283 10.045 -2.607 814 HG11 VAL 95 1HG1 VAL 95 0.318 8.294 -1.970 815 HG12 VAL 95 2HG1 VAL 95 -0.779 7.720 -0.712 816 HG13 VAL 95 3HG1 VAL 95 -0.060 9.326 -0.585 817 HG21 VAL 95 3HG2 VAL 95 -1.450 7.875 -3.763 818 HG22 VAL 95 1HG2 VAL 95 -3.031 8.648 -3.632 819 HG23 VAL 95 2HG2 VAL 95 -2.613 7.309 -2.560 820 H THR 96 H THR 96 -2.731 9.820 1.479 821 HA THR 96 HA THR 96 -1.272 12.389 1.630 822 HB THR 96 HB THR 96 -3.653 11.658 3.417 823 HG1 THR 96 HG1 THR 96 -4.553 12.106 1.479 824 HG21 THR 96 3HG2 THR 96 -2.037 13.212 4.476 825 HG22 THR 96 1HG2 THR 96 -3.562 14.024 4.109 826 HG23 THR 96 2HG2 THR 96 -2.152 14.290 3.082 827 H TRP 97 H TRP 97 0.649 11.718 2.477 828 HA TRP 97 HA TRP 97 0.979 9.589 4.357 829 HB2 TRP 97 2HB TRP 97 2.831 11.831 3.431 830 HB3 TRP 97 3HB TRP 97 3.323 10.621 4.613 831 HD1 TRP 97 HD1 TRP 97 2.250 10.815 0.868 832 HE1 TRP 97 HE1 TRP 97 3.242 8.767 -0.345 833 HE3 TRP 97 HE3 TRP 97 4.239 8.343 4.896 834 HZ2 TRP 97 HZ2 TRP 97 4.687 6.432 0.319 835 HZ3 TRP 97 HZ3 TRP 97 5.407 6.205 4.524 836 HH2 TRP 97 HH2 TRP 97 5.622 5.271 2.273 837 H ASP 98 H ASP 98 0.165 9.709 6.355 838 HA ASP 98 HA ASP 98 0.293 12.238 7.917 839 HB2 ASP 98 2HB ASP 98 -2.002 11.270 7.610 840 HB3 ASP 98 3HB ASP 98 -1.469 9.762 8.345 841 H GLY 99 H GLY 99 2.345 12.082 8.748 842 HA2 GLY 99 2HA GLY 99 4.011 11.496 10.194 843 HA3 GLY 99 3HA GLY 99 2.900 10.368 10.955 844 H ASP 100 H ASP 100 3.534 8.338 10.867 845 HA ASP 100 HA ASP 100 5.748 7.418 9.229 846 HB2 ASP 100 2HB ASP 100 5.246 6.828 11.710 847 HB3 ASP 100 3HB ASP 100 4.002 5.746 11.107 848 H THR 101 H THR 101 2.284 7.205 9.205 849 HA THR 101 HA THR 101 2.223 4.890 7.350 850 HB THR 101 HB THR 101 -0.026 5.975 9.118 851 HG1 THR 101 HG1 THR 101 2.145 4.750 9.911 852 HG21 THR 101 3HG2 THR 101 -1.062 3.768 8.738 853 HG22 THR 101 1HG2 THR 101 0.277 3.301 7.690 854 HG23 THR 101 2HG2 THR 101 -0.812 4.604 7.205 855 H VAL 102 H VAL 102 0.871 5.041 5.468 856 HA VAL 102 HA VAL 102 0.169 7.797 4.651 857 HB VAL 102 HB VAL 102 1.826 6.683 3.187 858 HG11 VAL 102 1HG1 VAL 102 1.185 4.338 3.418 859 HG12 VAL 102 2HG1 VAL 102 1.250 4.800 1.716 860 HG13 VAL 102 3HG1 VAL 102 -0.310 4.637 2.531 861 HG21 VAL 102 3HG2 VAL 102 0.753 7.185 1.034 862 HG22 VAL 102 1HG2 VAL 102 0.321 8.384 2.257 863 HG23 VAL 102 2HG2 VAL 102 -0.837 7.133 1.802 864 H THR 103 H THR 103 -1.843 8.287 4.084 865 HA THR 103 HA THR 103 -4.054 6.389 4.520 866 HB THR 103 HB THR 103 -4.060 9.457 4.464 867 HG1 THR 103 HG1 THR 103 -3.128 7.831 6.355 868 HG21 THR 103 3HG2 THR 103 -6.163 7.506 5.475 869 HG22 THR 103 1HG2 THR 103 -6.283 8.496 4.016 870 HG23 THR 103 2HG2 THR 103 -6.240 9.263 5.604 871 H VAL 104 H VAL 104 -4.363 5.484 2.482 872 HA VAL 104 HA VAL 104 -4.605 7.255 0.104 873 HB VAL 104 HB VAL 104 -4.220 4.207 0.174 874 HG11 VAL 104 1HG1 VAL 104 -4.019 6.167 -2.152 875 HG12 VAL 104 2HG1 VAL 104 -5.308 4.990 -1.891 876 HG13 VAL 104 3HG1 VAL 104 -3.667 4.438 -2.234 877 HG21 VAL 104 3HG2 VAL 104 -1.873 4.596 -0.398 878 HG22 VAL 104 1HG2 VAL 104 -2.260 5.376 1.135 879 HG23 VAL 104 2HG2 VAL 104 -2.114 6.342 -0.336 880 H GLU 105 H GLU 105 -6.730 7.776 -0.187 881 HA GLU 105 HA GLU 105 -8.817 5.806 0.585 882 HB2 GLU 105 2HB GLU 105 -9.045 8.826 0.219 883 HB3 GLU 105 3HB GLU 105 -10.357 7.748 0.697 884 HG2 GLU 105 2HG GLU 105 -9.077 7.153 2.754 885 HG3 GLU 105 3HG GLU 105 -7.831 8.307 2.278 886 H GLY 106 H GLY 106 -9.436 4.658 -1.112 887 HA2 GLY 106 2HA GLY 106 -9.797 5.974 -3.761 888 HA3 GLY 106 3HA GLY 106 -9.373 4.279 -3.530 889 H GLN 107 H GLN 107 -11.791 5.920 -4.629 890 HA GLN 107 HA GLN 107 -13.970 4.552 -3.231 891 HB2 GLN 107 2HB GLN 107 -15.436 5.713 -4.909 892 HB3 GLN 107 3HB GLN 107 -14.466 6.808 -3.937 893 HG2 GLN 107 2HG GLN 107 -12.884 7.061 -5.858 894 HG3 GLN 107 3HG GLN 107 -13.942 6.019 -6.816 895 HE21 GLN 107 1HE2 GLN 107 -14.340 7.659 -8.337 896 HE22 GLN 107 2HE2 GLN 107 -15.339 9.025 -7.992 897 H LEU 108 H LEU 108 -15.107 2.808 -4.066 898 HA LEU 108 HA LEU 108 -13.627 1.078 -5.814 899 HB2 LEU 108 2HB LEU 108 -16.322 0.784 -4.445 900 HB3 LEU 108 3HB LEU 108 -15.712 -0.442 -5.545 901 HG LEU 108 HG LEU 108 -14.470 0.380 -2.888 902 HD11 LEU 108 1HD1 LEU 108 -14.996 -1.930 -2.218 903 HD12 LEU 108 2HD1 LEU 108 -15.770 -2.224 -3.776 904 HD13 LEU 108 3HD1 LEU 108 -16.452 -1.040 -2.657 905 HD21 LEU 108 3HD2 LEU 108 -13.443 -1.636 -4.917 906 HD22 LEU 108 1HD2 LEU 108 -12.803 -1.398 -3.288 907 HD23 LEU 108 2HD2 LEU 108 -12.677 -0.106 -4.478 908 H GLU 109 H GLU 109 -14.294 0.162 -7.754 909 HA GLU 109 HA GLU 109 -15.858 1.521 -9.657 910 HB2 GLU 109 2HB GLU 109 -15.779 -0.649 -10.913 911 HB3 GLU 109 3HB GLU 109 -14.202 -0.125 -10.342 912 HG2 GLU 109 2HG GLU 109 -14.446 -1.713 -8.401 913 HG3 GLU 109 3HG GLU 109 -15.931 -2.312 -9.139 914 H GLY 110 H GLY 110 -16.618 -0.897 -7.226 915 HA2 GLY 110 2HA GLY 110 -18.539 -1.607 -6.241 916 HA3 GLY 110 3HA GLY 110 -19.384 -0.286 -7.046 917 H VAL 111 H VAL 111 -20.983 -2.139 -7.007 918 HA VAL 111 HA VAL 111 -22.479 -3.298 -8.210 919 HB VAL 111 HB VAL 111 -20.634 -3.030 -10.625 920 HG11 VAL 111 1HG1 VAL 111 -22.247 -4.859 -10.951 921 HG12 VAL 111 2HG1 VAL 111 -22.644 -3.495 -11.994 922 HG13 VAL 111 3HG1 VAL 111 -23.587 -3.787 -10.530 923 HG21 VAL 111 3HG2 VAL 111 -21.290 -0.825 -9.758 924 HG22 VAL 111 1HG2 VAL 111 -22.994 -1.288 -9.788 925 HG23 VAL 111 2HG2 VAL 111 -22.090 -1.135 -11.299 926 H ASP 112 H ASP 112 -19.290 -4.362 -9.292 927 HA ASP 112 HA ASP 112 -19.639 -7.056 -9.725 928 HB2 ASP 112 2HB ASP 112 -17.659 -5.709 -10.431 929 HB3 ASP 112 3HB ASP 112 -17.126 -5.593 -8.759 930 H LEU 113 H LEU 113 -20.677 -8.285 -8.252 931 HA LEU 113 HA LEU 113 -19.514 -8.704 -5.555 932 HB2 LEU 113 2HB LEU 113 -22.281 -9.446 -6.610 933 HB3 LEU 113 3HB LEU 113 -21.705 -9.744 -4.977 934 HG LEU 113 HG LEU 113 -22.133 -6.978 -6.182 935 HD11 LEU 113 1HD1 LEU 113 -24.274 -8.153 -5.899 936 HD12 LEU 113 2HD1 LEU 113 -24.121 -6.815 -4.765 937 HD13 LEU 113 3HD1 LEU 113 -23.890 -8.474 -4.204 938 HD21 LEU 113 3HD2 LEU 113 -21.869 -6.153 -3.873 939 HD22 LEU 113 1HD2 LEU 113 -20.408 -6.952 -4.454 940 HD23 LEU 113 2HD2 LEU 113 -21.481 -7.786 -3.328 941 H GLU 114 H GLU 114 -19.147 -10.942 -4.928 942 HA GLU 114 HA GLU 114 -17.979 -12.465 -7.040 943 HB2 GLU 114 2HB GLU 114 -17.241 -14.025 -5.324 944 HB3 GLU 114 3HB GLU 114 -16.985 -12.376 -4.769 945 HG2 GLU 114 2HG GLU 114 -18.940 -12.528 -3.307 946 HG3 GLU 114 3HG GLU 114 -19.306 -14.136 -3.924 947 H HIS 115 H HIS 115 -18.547 -14.458 -7.917 948 HA HIS 115 HA HIS 115 -21.159 -15.656 -7.153 949 HB2 HIS 115 2HB HIS 115 -20.749 -15.099 -9.599 950 HB3 HIS 115 3HB HIS 115 -19.432 -16.264 -9.604 951 HD1 HIS 115 HD1 HIS 115 -20.393 -17.968 -11.188 952 HD2 HIS 115 HD2 HIS 115 -23.065 -16.953 -8.171 953 HE1 HIS 115 HE1 HIS 115 -22.295 -19.588 -11.399 954 HE2 HIS 115 HE2 HIS 115 -23.792 -19.072 -9.450 955 H HIS 116 H HIS 116 -18.387 -15.765 -5.809 956 HA HIS 116 HA HIS 116 -17.756 -18.610 -5.779 957 HB2 HIS 116 2HB HIS 116 -16.649 -16.319 -4.081 958 HB3 HIS 116 3HB HIS 116 -16.051 -17.975 -4.063 959 HD1 HIS 116 HD1 HIS 116 -14.810 -18.798 -6.285 960 HD2 HIS 116 HD2 HIS 116 -15.572 -14.717 -6.058 961 HE1 HIS 116 HE1 HIS 116 -13.360 -17.735 -8.039 962 HE2 HIS 116 HE2 HIS 116 -13.740 -15.267 -7.787 963 H HIS 117 H HIS 117 -17.992 -19.934 -3.977 964 HA HIS 117 HA HIS 117 -19.412 -19.045 -1.579 965 HB2 HIS 117 2HB HIS 117 -21.213 -19.746 -3.231 966 HB3 HIS 117 3HB HIS 117 -20.511 -21.356 -3.262 967 HD1 HIS 117 HD1 HIS 117 -21.891 -18.980 -0.593 968 HD2 HIS 117 HD2 HIS 117 -21.779 -23.027 -1.531 969 HE1 HIS 117 HE1 HIS 117 -23.212 -20.126 1.200 970 HE2 HIS 117 HE2 HIS 117 -22.905 -22.574 0.743 971 H HIS 118 H HIS 118 -16.755 -19.804 -2.184 972 HA HIS 118 HA HIS 118 -16.173 -22.500 -1.440 973 HB2 HIS 118 2HB HIS 118 -14.660 -20.828 -2.730 974 HB3 HIS 118 3HB HIS 118 -14.249 -20.149 -1.159 975 HD1 HIS 118 HD1 HIS 118 -13.793 -23.204 -3.284 976 HD2 HIS 118 HD2 HIS 118 -12.425 -21.701 0.346 977 HE1 HIS 118 HE1 HIS 118 -11.906 -24.707 -2.603 978 HE2 HIS 118 HE2 HIS 118 -11.101 -23.794 -0.408 979 H HIS 119 H HIS 119 -16.932 -19.617 0.311 980 HA HIS 119 HA HIS 119 -15.947 -20.199 2.882 981 HB2 HIS 119 2HB HIS 119 -16.913 -17.986 2.181 982 HB3 HIS 119 3HB HIS 119 -18.517 -18.709 2.154 983 HD1 HIS 119 HD1 HIS 119 -19.543 -19.379 4.520 984 HD2 HIS 119 HD2 HIS 119 -16.007 -17.209 4.689 985 HE1 HIS 119 HE1 HIS 119 -19.307 -18.657 6.910 986 HE2 HIS 119 HE2 HIS 119 -17.257 -17.206 6.940 987 H HIS 120 H HIS 120 -16.372 -21.962 4.023 988 HA HIS 120 HA HIS 120 -18.930 -23.400 3.890 989 HB2 HIS 120 2HB HIS 120 -16.153 -24.110 4.908 990 HB3 HIS 120 3HB HIS 120 -17.548 -24.998 5.518 991 HD1 HIS 120 HD1 HIS 120 -17.214 -27.199 4.403 992 HD2 HIS 120 HD2 HIS 120 -17.028 -24.054 1.689 993 HE1 HIS 120 HE1 HIS 120 -17.142 -28.266 2.138 994 HE2 HIS 120 HE2 HIS 120 -17.355 -26.344 0.539 Start of MODEL 8 1 H1 MET 1 1H MET 1 21.513 -2.028 0.165 2 H2 MET 1 2H MET 1 21.953 -2.667 1.668 3 H3 MET 1 3H MET 1 20.324 -2.380 1.312 4 HA MET 1 HA MET 1 22.058 -4.311 -0.093 5 HB2 MET 1 2HB MET 1 21.635 -5.004 2.237 6 HB3 MET 1 3HB MET 1 19.905 -4.778 2.017 7 HG2 MET 1 2HG MET 1 20.521 -7.153 1.952 8 HG3 MET 1 3HG MET 1 19.855 -6.630 0.404 9 HE1 MET 1 3HE MET 1 23.208 -7.592 2.347 10 HE2 MET 1 1HE MET 1 23.513 -5.939 1.806 11 HE3 MET 1 2HE MET 1 24.404 -7.280 1.090 12 H SER 2 H SER 2 21.333 -4.482 -2.130 13 HA SER 2 HA SER 2 18.630 -4.072 -2.983 14 HB2 SER 2 2HB SER 2 20.958 -5.455 -4.393 15 HB3 SER 2 3HB SER 2 19.436 -4.978 -5.153 16 HG SER 2 HG SER 2 21.052 -3.108 -3.794 17 H GLY 3 H GLY 3 17.445 -5.355 -1.578 18 HA2 GLY 3 2HA GLY 3 16.496 -7.823 -2.112 19 HA3 GLY 3 3HA GLY 3 17.955 -8.189 -1.179 20 H LYS 4 H LYS 4 15.247 -5.898 -1.119 21 HA LYS 4 HA LYS 4 15.391 -5.675 1.786 22 HB2 LYS 4 2HB LYS 4 13.608 -4.242 -0.237 23 HB3 LYS 4 3HB LYS 4 13.667 -3.885 1.484 24 HG2 LYS 4 2HG LYS 4 15.923 -3.505 -0.506 25 HG3 LYS 4 3HG LYS 4 14.931 -2.234 0.205 26 HD2 LYS 4 2HD LYS 4 16.895 -4.030 1.674 27 HD3 LYS 4 3HD LYS 4 17.115 -2.321 1.303 28 HE2 LYS 4 2HE LYS 4 15.200 -1.766 2.790 29 HE3 LYS 4 3HE LYS 4 15.015 -3.482 3.174 30 HZ1 LYS 4 3HZ LYS 4 16.277 -2.552 4.906 31 HZ2 LYS 4 1HZ LYS 4 17.286 -1.706 3.846 32 HZ3 LYS 4 2HZ LYS 4 17.392 -3.387 3.954 33 H LYS 5 H LYS 5 14.220 -7.028 3.053 34 HA LYS 5 HA LYS 5 11.618 -8.039 2.186 35 HB2 LYS 5 2HB LYS 5 13.203 -9.389 3.699 36 HB3 LYS 5 3HB LYS 5 12.803 -8.258 4.988 37 HG2 LYS 5 2HG LYS 5 10.291 -8.900 4.389 38 HG3 LYS 5 3HG LYS 5 11.037 -10.306 3.630 39 HD2 LYS 5 2HD LYS 5 10.377 -10.930 5.864 40 HD3 LYS 5 3HD LYS 5 12.140 -10.834 5.842 41 HE2 LYS 5 2HE LYS 5 11.975 -8.542 6.834 42 HE3 LYS 5 3HE LYS 5 10.224 -8.741 6.922 43 HZ1 LYS 5 3HZ LYS 5 12.250 -10.380 8.347 44 HZ2 LYS 5 1HZ LYS 5 10.581 -10.658 8.378 45 HZ3 LYS 5 2HZ LYS 5 11.211 -9.232 9.027 46 H VAL 6 H VAL 6 10.286 -6.371 2.007 47 HA VAL 6 HA VAL 6 10.064 -4.288 4.079 48 HB VAL 6 HB VAL 6 10.223 -3.114 2.047 49 HG11 VAL 6 1HG1 VAL 6 10.282 -5.079 0.554 50 HG12 VAL 6 2HG1 VAL 6 9.241 -3.819 -0.114 51 HG13 VAL 6 3HG1 VAL 6 8.529 -5.238 0.665 52 HG21 VAL 6 3HG2 VAL 6 8.134 -2.433 3.156 53 HG22 VAL 6 1HG2 VAL 6 7.228 -3.608 2.205 54 HG23 VAL 6 2HG2 VAL 6 8.021 -2.247 1.406 55 H GLU 7 H GLU 7 8.357 -4.348 5.429 56 HA GLU 7 HA GLU 7 6.254 -6.369 4.946 57 HB2 GLU 7 2HB GLU 7 7.209 -5.145 7.571 58 HB3 GLU 7 3HB GLU 7 5.833 -6.241 7.420 59 HG2 GLU 7 2HG GLU 7 7.403 -7.970 6.446 60 HG3 GLU 7 3HG GLU 7 8.736 -6.874 6.793 61 H VAL 8 H VAL 8 4.471 -5.601 4.225 62 HA VAL 8 HA VAL 8 3.840 -2.725 4.317 63 HB VAL 8 HB VAL 8 2.835 -4.927 2.434 64 HG11 VAL 8 1HG1 VAL 8 2.431 -1.919 2.230 65 HG12 VAL 8 2HG1 VAL 8 1.190 -3.094 2.667 66 HG13 VAL 8 3HG1 VAL 8 1.900 -3.124 1.052 67 HG21 VAL 8 3HG2 VAL 8 4.299 -3.912 0.734 68 HG22 VAL 8 1HG2 VAL 8 5.238 -4.447 2.130 69 HG23 VAL 8 2HG2 VAL 8 4.877 -2.732 1.914 70 H GLN 9 H GLN 9 2.435 -2.232 5.880 71 HA GLN 9 HA GLN 9 0.545 -4.246 6.928 72 HB2 GLN 9 2HB GLN 9 1.402 -1.538 8.068 73 HB3 GLN 9 3HB GLN 9 0.424 -2.749 8.898 74 HG2 GLN 9 2HG GLN 9 2.298 -4.283 9.014 75 HG3 GLN 9 3HG GLN 9 3.272 -3.238 7.979 76 HE21 GLN 9 1HE2 GLN 9 4.221 -1.387 8.858 77 HE22 GLN 9 2HE2 GLN 9 4.340 -1.131 10.566 78 H VAL 10 H VAL 10 -1.190 -4.167 5.563 79 HA VAL 10 HA VAL 10 -2.227 -1.614 4.547 80 HB VAL 10 HB VAL 10 -3.080 -4.470 3.819 81 HG11 VAL 10 1HG1 VAL 10 -3.701 -1.827 2.436 82 HG12 VAL 10 2HG1 VAL 10 -4.840 -2.807 3.362 83 HG13 VAL 10 3HG1 VAL 10 -4.168 -3.430 1.855 84 HG21 VAL 10 3HG2 VAL 10 -1.184 -2.613 2.324 85 HG22 VAL 10 1HG2 VAL 10 -1.743 -4.192 1.756 86 HG23 VAL 10 2HG2 VAL 10 -0.726 -4.078 3.194 87 H LYS 11 H LYS 11 -3.539 -0.657 5.985 88 HA LYS 11 HA LYS 11 -5.466 -2.254 7.586 89 HB2 LYS 11 2HB LYS 11 -3.632 -1.078 8.823 90 HB3 LYS 11 3HB LYS 11 -4.141 0.448 8.158 91 HG2 LYS 11 2HG LYS 11 -6.113 -1.124 9.765 92 HG3 LYS 11 3HG LYS 11 -4.765 -0.366 10.614 93 HD2 LYS 11 2HD LYS 11 -5.454 1.817 9.414 94 HD3 LYS 11 3HD LYS 11 -6.950 0.970 8.991 95 HE2 LYS 11 2HE LYS 11 -7.338 2.225 11.000 96 HE3 LYS 11 3HE LYS 11 -7.288 0.516 11.420 97 HZ1 LYS 11 3HZ LYS 11 -5.011 0.814 12.178 98 HZ2 LYS 11 1HZ LYS 11 -6.074 1.829 13.013 99 HZ3 LYS 11 2HZ LYS 11 -5.082 2.460 11.798 100 H ILE 12 H ILE 12 -7.362 -2.149 6.443 101 HA ILE 12 HA ILE 12 -8.138 0.407 5.163 102 HB ILE 12 HB ILE 12 -7.526 -1.110 3.395 103 HG12 ILE 12 2HG1 ILE 12 -10.568 -0.957 3.607 104 HG13 ILE 12 3HG1 ILE 12 -9.510 0.284 2.945 105 HG21 ILE 12 1HG2 ILE 12 -7.648 -3.263 4.568 106 HG22 ILE 12 2HG2 ILE 12 -8.505 -3.335 3.028 107 HG23 ILE 12 3HG2 ILE 12 -9.412 -3.197 4.536 108 HD11 ILE 12 3HD1 ILE 12 -10.623 -0.907 1.182 109 HD12 ILE 12 1HD1 ILE 12 -10.010 -2.450 1.774 110 HD13 ILE 12 2HD1 ILE 12 -8.894 -1.247 1.120 111 H THR 13 H THR 13 -9.968 1.261 5.876 112 HA THR 13 HA THR 13 -11.783 -0.276 7.595 113 HB THR 13 HB THR 13 -11.759 2.718 6.962 114 HG1 THR 13 HG1 THR 13 -10.501 1.129 8.941 115 HG21 THR 13 3HG2 THR 13 -13.202 1.173 9.163 116 HG22 THR 13 1HG2 THR 13 -13.975 1.951 7.787 117 HG23 THR 13 2HG2 THR 13 -13.155 2.932 9.008 118 H CYS 14 H CYS 14 -13.569 -1.144 6.806 119 HA CYS 14 HA CYS 14 -15.220 -0.006 4.732 120 HB2 CYS 14 2HB CYS 14 -13.824 -1.046 3.149 121 HB3 CYS 14 3HB CYS 14 -13.463 -2.407 4.200 122 H ASN 15 H ASN 15 -17.316 -0.747 4.864 123 HA ASN 15 HA ASN 15 -19.197 -1.814 5.552 124 HB2 ASN 15 2HB ASN 15 -18.000 -3.743 4.447 125 HB3 ASN 15 3HB ASN 15 -17.332 -4.193 6.010 126 HD21 ASN 15 1HD2 ASN 15 -18.294 -6.248 5.844 127 HD22 ASN 15 2HD2 ASN 15 -19.991 -6.481 6.062 128 H GLY 16 H GLY 16 -17.474 -0.380 7.508 129 HA2 GLY 16 2HA GLY 16 -17.934 0.321 9.671 130 HA3 GLY 16 3HA GLY 16 -18.921 -1.109 9.930 131 H LYS 17 H LYS 17 -16.190 -2.376 8.694 132 HA LYS 17 HA LYS 17 -14.948 -2.800 11.351 133 HB2 LYS 17 2HB LYS 17 -15.001 -4.620 8.897 134 HB3 LYS 17 3HB LYS 17 -14.024 -4.924 10.331 135 HG2 LYS 17 2HG LYS 17 -16.160 -5.014 11.681 136 HG3 LYS 17 3HG LYS 17 -17.049 -4.898 10.159 137 HD2 LYS 17 2HD LYS 17 -16.885 -7.251 10.873 138 HD3 LYS 17 3HD LYS 17 -15.993 -7.003 9.370 139 HE2 LYS 17 2HE LYS 17 -13.873 -6.894 10.667 140 HE3 LYS 17 3HE LYS 17 -14.778 -7.173 12.155 141 HZ1 LYS 17 3HZ LYS 17 -14.591 -9.063 9.868 142 HZ2 LYS 17 1HZ LYS 17 -15.446 -9.330 11.301 143 HZ3 LYS 17 2HZ LYS 17 -13.763 -9.201 11.334 144 H THR 18 H THR 18 -12.623 -3.316 11.269 145 HA THR 18 HA THR 18 -11.124 -1.897 9.145 146 HB THR 18 HB THR 18 -10.326 -2.485 12.045 147 HG1 THR 18 HG1 THR 18 -11.878 -0.810 11.841 148 HG21 THR 18 3HG2 THR 18 -8.372 -1.055 11.613 149 HG22 THR 18 1HG2 THR 18 -8.852 -0.881 9.922 150 HG23 THR 18 2HG2 THR 18 -8.358 -2.457 10.545 151 H TYR 19 H TYR 19 -10.002 -3.228 7.836 152 HA TYR 19 HA TYR 19 -9.320 -5.984 8.682 153 HB2 TYR 19 2HB TYR 19 -9.460 -4.948 5.807 154 HB3 TYR 19 3HB TYR 19 -9.383 -6.623 6.343 155 HD1 TYR 19 HD2 TYR 19 -11.557 -3.667 5.972 156 HD2 TYR 19 HD1 TYR 19 -11.437 -7.791 7.089 157 HE1 TYR 19 HE2 TYR 19 -13.994 -3.753 5.915 158 HE2 TYR 19 HE1 TYR 19 -13.899 -7.871 7.033 159 HH TYR 19 HH TYR 19 -15.784 -5.321 5.692 160 H GLU 20 H GLU 20 -7.291 -5.695 9.563 161 HA GLU 20 HA GLU 20 -5.257 -4.284 7.941 162 HB2 GLU 20 2HB GLU 20 -3.926 -4.045 9.965 163 HB3 GLU 20 3HB GLU 20 -5.537 -3.402 10.228 164 HG2 GLU 20 2HG GLU 20 -5.086 -4.479 12.235 165 HG3 GLU 20 3HG GLU 20 -6.046 -5.673 11.369 166 H ARG 21 H ARG 21 -3.362 -5.335 7.364 167 HA ARG 21 HA ARG 21 -2.747 -7.966 8.381 168 HB2 ARG 21 2HB ARG 21 -4.418 -8.412 6.505 169 HB3 ARG 21 3HB ARG 21 -3.257 -7.719 5.379 170 HG2 ARG 21 2HG ARG 21 -3.101 -10.151 5.319 171 HG3 ARG 21 3HG ARG 21 -1.615 -9.491 6.009 172 HD2 ARG 21 2HD ARG 21 -2.585 -9.922 8.284 173 HD3 ARG 21 3HD ARG 21 -3.925 -10.760 7.507 174 HE ARG 21 HE ARG 21 -2.099 -12.270 6.559 175 HH11 ARG 21 1HH1 ARG 21 -1.852 -10.723 9.714 176 HH12 ARG 21 2HH1 ARG 21 -0.833 -11.957 10.376 177 HH21 ARG 21 1HH2 ARG 21 -0.771 -13.900 7.464 178 HH22 ARG 21 2HH2 ARG 21 -0.218 -13.756 9.100 179 H THR 22 H THR 22 -0.626 -8.003 8.655 180 HA THR 22 HA THR 22 1.179 -6.258 7.159 181 HB THR 22 HB THR 22 1.782 -8.235 9.417 182 HG1 THR 22 HG1 THR 22 0.351 -6.343 9.864 183 HG21 THR 22 3HG2 THR 22 3.882 -6.941 9.695 184 HG22 THR 22 1HG2 THR 22 3.466 -5.960 8.281 185 HG23 THR 22 2HG2 THR 22 3.803 -7.681 8.098 186 H TYR 23 H TYR 23 1.718 -7.005 5.202 187 HA TYR 23 HA TYR 23 2.112 -9.874 4.654 188 HB2 TYR 23 2HB TYR 23 2.095 -7.488 2.733 189 HB3 TYR 23 3HB TYR 23 2.148 -9.186 2.274 190 HD1 TYR 23 HD1 TYR 23 -0.015 -6.458 3.504 191 HD2 TYR 23 HD2 TYR 23 0.099 -10.580 2.372 192 HE1 TYR 23 HE1 TYR 23 -2.466 -6.500 3.390 193 HE2 TYR 23 HE2 TYR 23 -2.358 -10.608 2.260 194 HH TYR 23 HH TYR 23 -4.264 -9.379 3.118 195 H GLN 24 H GLN 24 4.110 -10.676 4.231 196 HA GLN 24 HA GLN 24 6.454 -8.872 4.440 197 HB2 GLN 24 2HB GLN 24 6.329 -11.925 4.643 198 HB3 GLN 24 3HB GLN 24 7.796 -10.953 4.774 199 HG2 GLN 24 2HG GLN 24 6.832 -9.826 6.784 200 HG3 GLN 24 3HG GLN 24 5.428 -10.886 6.663 201 HE21 GLN 24 1HE2 GLN 24 5.786 -11.776 8.703 202 HE22 GLN 24 2HE2 GLN 24 7.086 -12.867 9.032 203 H LEU 25 H LEU 25 7.046 -8.134 2.534 204 HA LEU 25 HA LEU 25 6.919 -9.849 0.110 205 HB2 LEU 25 2HB LEU 25 6.625 -6.814 0.350 206 HB3 LEU 25 3HB LEU 25 6.723 -7.686 -1.172 207 HG LEU 25 HG LEU 25 4.479 -7.951 0.871 208 HD11 LEU 25 1HD1 LEU 25 3.066 -6.843 -0.807 209 HD12 LEU 25 2HD1 LEU 25 4.467 -6.628 -1.862 210 HD13 LEU 25 3HD1 LEU 25 4.399 -5.805 -0.300 211 HD21 LEU 25 3HD2 LEU 25 4.756 -9.277 -1.850 212 HD22 LEU 25 1HD2 LEU 25 3.318 -9.322 -0.824 213 HD23 LEU 25 2HD2 LEU 25 4.811 -10.081 -0.279 214 H TYR 26 H TYR 26 8.788 -9.987 -1.100 215 HA TYR 26 HA TYR 26 11.198 -8.540 -0.149 216 HB2 TYR 26 2HB TYR 26 10.999 -10.889 0.831 217 HB3 TYR 26 3HB TYR 26 11.102 -11.529 -0.799 218 HD1 TYR 26 HD2 TYR 26 13.299 -11.021 -2.141 219 HD2 TYR 26 HD1 TYR 26 12.991 -10.450 2.080 220 HE1 TYR 26 HE2 TYR 26 15.744 -11.067 -1.956 221 HE2 TYR 26 HE1 TYR 26 15.438 -10.493 2.261 222 HH TYR 26 HH TYR 26 17.504 -10.322 -0.456 223 H ALA 27 H ALA 27 12.370 -7.702 -1.785 224 HA ALA 27 HA ALA 27 12.635 -9.036 -4.348 225 HB1 ALA 27 3HB ALA 27 10.592 -7.703 -4.749 226 HB2 ALA 27 1HB ALA 27 11.937 -7.082 -5.708 227 HB3 ALA 27 2HB ALA 27 11.428 -6.237 -4.241 228 H VAL 28 H VAL 28 14.428 -8.380 -5.460 229 HA VAL 28 HA VAL 28 16.631 -7.262 -4.097 230 HB VAL 28 HB VAL 28 16.240 -7.615 -7.110 231 HG11 VAL 28 1HG1 VAL 28 18.686 -7.744 -7.281 232 HG12 VAL 28 2HG1 VAL 28 18.841 -7.440 -5.549 233 HG13 VAL 28 3HG1 VAL 28 18.184 -6.190 -6.608 234 HG21 VAL 28 3HG2 VAL 28 17.319 -9.817 -6.860 235 HG22 VAL 28 1HG2 VAL 28 15.831 -9.723 -5.915 236 HG23 VAL 28 2HG2 VAL 28 17.396 -9.590 -5.111 237 H ARG 29 H ARG 29 14.269 -5.912 -6.391 238 HA ARG 29 HA ARG 29 15.089 -3.178 -5.604 239 HB2 ARG 29 2HB ARG 29 14.387 -4.096 -8.429 240 HB3 ARG 29 3HB ARG 29 14.432 -2.401 -7.947 241 HG2 ARG 29 2HG ARG 29 16.867 -2.831 -7.233 242 HG3 ARG 29 3HG ARG 29 16.737 -4.357 -8.102 243 HD2 ARG 29 2HD ARG 29 16.272 -3.142 -10.196 244 HD3 ARG 29 3HD ARG 29 16.334 -1.601 -9.328 245 HE ARG 29 HE ARG 29 18.670 -3.394 -9.356 246 HH11 ARG 29 1HH1 ARG 29 17.318 -0.257 -10.245 247 HH12 ARG 29 2HH1 ARG 29 18.868 0.406 -10.660 248 HH21 ARG 29 1HH2 ARG 29 20.666 -2.470 -9.828 249 HH22 ARG 29 2HH2 ARG 29 20.752 -0.845 -10.425 250 H ASP 30 H ASP 30 13.463 -1.683 -5.350 251 HA ASP 30 HA ASP 30 10.898 -2.652 -4.550 252 HB2 ASP 30 2HB ASP 30 10.405 -0.290 -3.993 253 HB3 ASP 30 3HB ASP 30 11.976 -0.788 -3.379 254 H GLU 31 H GLU 31 12.131 -1.255 -7.497 255 HA GLU 31 HA GLU 31 9.764 -0.653 -8.872 256 HB2 GLU 31 2HB GLU 31 12.332 -1.872 -9.972 257 HB3 GLU 31 3HB GLU 31 11.063 -1.152 -10.957 258 HG2 GLU 31 2HG GLU 31 12.737 0.302 -8.898 259 HG3 GLU 31 3HG GLU 31 12.987 0.356 -10.639 260 H GLU 32 H GLU 32 11.356 -3.756 -8.282 261 HA GLU 32 HA GLU 32 9.504 -5.314 -9.891 262 HB2 GLU 32 2HB GLU 32 11.589 -6.270 -7.887 263 HB3 GLU 32 3HB GLU 32 10.805 -7.246 -9.123 264 HG2 GLU 32 2HG GLU 32 12.744 -4.963 -9.595 265 HG3 GLU 32 3HG GLU 32 13.090 -6.680 -9.770 266 H LEU 33 H LEU 33 9.726 -4.226 -6.621 267 HA LEU 33 HA LEU 33 8.030 -6.122 -5.321 268 HB2 LEU 33 2HB LEU 33 9.779 -4.330 -4.402 269 HB3 LEU 33 3HB LEU 33 8.401 -3.259 -4.372 270 HG LEU 33 HG LEU 33 8.973 -4.266 -2.158 271 HD11 LEU 33 1HD1 LEU 33 6.216 -5.086 -3.076 272 HD12 LEU 33 2HD1 LEU 33 6.690 -3.483 -2.514 273 HD13 LEU 33 3HD1 LEU 33 6.751 -4.851 -1.408 274 HD21 LEU 33 3HD2 LEU 33 8.131 -6.914 -3.371 275 HD22 LEU 33 1HD2 LEU 33 8.494 -6.618 -1.667 276 HD23 LEU 33 2HD2 LEU 33 9.761 -6.455 -2.876 277 H LYS 34 H LYS 34 7.442 -3.381 -7.376 278 HA LYS 34 HA LYS 34 4.990 -2.370 -6.602 279 HB2 LYS 34 2HB LYS 34 6.053 -2.761 -9.421 280 HB3 LYS 34 3HB LYS 34 4.613 -1.821 -9.043 281 HG2 LYS 34 2HG LYS 34 6.013 -0.282 -7.676 282 HG3 LYS 34 3HG LYS 34 7.445 -1.205 -8.152 283 HD2 LYS 34 2HD LYS 34 7.186 0.798 -9.569 284 HD3 LYS 34 3HD LYS 34 7.010 -0.673 -10.528 285 HE2 LYS 34 2HE LYS 34 4.501 -0.414 -10.312 286 HE3 LYS 34 3HE LYS 34 4.785 1.146 -9.540 287 HZ1 LYS 34 3HZ LYS 34 5.886 1.892 -11.566 288 HZ2 LYS 34 1HZ LYS 34 4.298 1.392 -11.875 289 HZ3 LYS 34 2HZ LYS 34 5.593 0.397 -12.299 290 H GLU 35 H GLU 35 5.489 -5.038 -8.958 291 HA GLU 35 HA GLU 35 2.774 -5.478 -9.494 292 HB2 GLU 35 2HB GLU 35 3.512 -7.636 -10.517 293 HB3 GLU 35 3HB GLU 35 4.419 -6.237 -11.057 294 HG2 GLU 35 2HG GLU 35 6.099 -7.795 -10.828 295 HG3 GLU 35 3HG GLU 35 6.177 -6.988 -9.265 296 H LYS 36 H LYS 36 4.807 -6.703 -6.920 297 HA LYS 36 HA LYS 36 3.035 -8.683 -5.911 298 HB2 LYS 36 2HB LYS 36 5.114 -7.071 -4.356 299 HB3 LYS 36 3HB LYS 36 4.379 -8.594 -3.851 300 HG2 LYS 36 2HG LYS 36 5.399 -9.679 -5.881 301 HG3 LYS 36 3HG LYS 36 6.243 -8.164 -6.202 302 HD2 LYS 36 2HD LYS 36 7.383 -8.371 -3.985 303 HD3 LYS 36 3HD LYS 36 6.577 -9.926 -3.740 304 HE2 LYS 36 2HE LYS 36 8.610 -9.221 -5.882 305 HE3 LYS 36 3HE LYS 36 8.801 -10.370 -4.560 306 HZ1 LYS 36 3HZ LYS 36 6.996 -11.698 -5.589 307 HZ2 LYS 36 1HZ LYS 36 8.373 -11.564 -6.562 308 HZ3 LYS 36 2HZ LYS 36 7.004 -10.640 -6.910 309 H LEU 37 H LEU 37 3.544 -5.245 -5.125 310 HA LEU 37 HA LEU 37 1.643 -4.918 -3.089 311 HB2 LEU 37 2HB LEU 37 2.647 -2.956 -5.184 312 HB3 LEU 37 3HB LEU 37 1.615 -2.476 -3.845 313 HG LEU 37 HG LEU 37 4.379 -3.704 -3.515 314 HD11 LEU 37 1HD1 LEU 37 3.527 -0.803 -3.308 315 HD12 LEU 37 2HD1 LEU 37 4.518 -1.510 -4.586 316 HD13 LEU 37 3HD1 LEU 37 5.129 -1.448 -2.936 317 HD21 LEU 37 3HD2 LEU 37 2.520 -2.412 -1.485 318 HD22 LEU 37 1HD2 LEU 37 4.170 -2.961 -1.172 319 HD23 LEU 37 2HD2 LEU 37 2.921 -4.128 -1.591 320 H LYS 38 H LYS 38 1.292 -4.605 -6.638 321 HA LYS 38 HA LYS 38 -1.347 -3.651 -6.704 322 HB2 LYS 38 2HB LYS 38 0.184 -5.298 -8.763 323 HB3 LYS 38 3HB LYS 38 -1.337 -4.469 -9.077 324 HG2 LYS 38 2HG LYS 38 -0.231 -2.291 -8.589 325 HG3 LYS 38 3HG LYS 38 1.293 -3.148 -8.339 326 HD2 LYS 38 2HD LYS 38 1.236 -2.193 -10.596 327 HD3 LYS 38 3HD LYS 38 1.213 -3.955 -10.693 328 HE2 LYS 38 2HE LYS 38 -1.294 -3.831 -10.967 329 HE3 LYS 38 3HE LYS 38 -1.147 -2.075 -11.043 330 HZ1 LYS 38 3HZ LYS 38 -1.252 -3.033 -13.240 331 HZ2 LYS 38 1HZ LYS 38 0.092 -4.010 -12.924 332 HZ3 LYS 38 2HZ LYS 38 0.266 -2.333 -12.993 333 H LYS 39 H LYS 39 -0.060 -6.985 -6.935 334 HA LYS 39 HA LYS 39 -2.543 -8.323 -7.203 335 HB2 LYS 39 2HB LYS 39 0.114 -9.308 -6.078 336 HB3 LYS 39 3HB LYS 39 -1.258 -10.360 -6.397 337 HG2 LYS 39 2HG LYS 39 0.273 -8.756 -8.466 338 HG3 LYS 39 3HG LYS 39 0.406 -10.495 -8.187 339 HD2 LYS 39 2HD LYS 39 -1.981 -10.768 -8.857 340 HD3 LYS 39 3HD LYS 39 -2.084 -9.031 -9.161 341 HE2 LYS 39 2HE LYS 39 -0.346 -9.247 -10.911 342 HE3 LYS 39 3HE LYS 39 -0.273 -10.987 -10.620 343 HZ1 LYS 39 3HZ LYS 39 -2.659 -9.490 -11.560 344 HZ2 LYS 39 1HZ LYS 39 -2.585 -11.156 -11.294 345 HZ3 LYS 39 2HZ LYS 39 -1.662 -10.453 -12.521 346 H VAL 40 H VAL 40 -0.516 -7.772 -4.324 347 HA VAL 40 HA VAL 40 -2.085 -8.990 -2.373 348 HB VAL 40 HB VAL 40 0.043 -6.815 -2.273 349 HG11 VAL 40 1HG1 VAL 40 0.157 -7.022 0.185 350 HG12 VAL 40 2HG1 VAL 40 -1.305 -8.011 0.165 351 HG13 VAL 40 3HG1 VAL 40 -1.374 -6.325 -0.350 352 HG21 VAL 40 3HG2 VAL 40 0.791 -9.098 -2.823 353 HG22 VAL 40 1HG2 VAL 40 0.057 -9.715 -1.340 354 HG23 VAL 40 2HG2 VAL 40 1.423 -8.601 -1.253 355 H LEU 41 H LEU 41 -2.161 -5.628 -3.521 356 HA LEU 41 HA LEU 41 -4.070 -4.686 -1.609 357 HB2 LEU 41 2HB LEU 41 -2.948 -3.562 -4.192 358 HB3 LEU 41 3HB LEU 41 -4.262 -2.736 -3.368 359 HG LEU 41 HG LEU 41 -1.608 -3.362 -1.998 360 HD11 LEU 41 1HD1 LEU 41 -0.948 -1.032 -2.396 361 HD12 LEU 41 2HD1 LEU 41 -2.394 -0.773 -3.376 362 HD13 LEU 41 3HD1 LEU 41 -1.152 -1.906 -3.913 363 HD21 LEU 41 3HD2 LEU 41 -2.325 -1.646 -0.388 364 HD22 LEU 41 1HD2 LEU 41 -3.494 -2.965 -0.474 365 HD23 LEU 41 2HD2 LEU 41 -3.838 -1.425 -1.275 366 H ASN 42 H ASN 42 -4.314 -5.954 -4.928 367 HA ASN 42 HA ASN 42 -7.122 -5.528 -5.199 368 HB2 ASN 42 2HB ASN 42 -5.067 -7.095 -6.744 369 HB3 ASN 42 3HB ASN 42 -6.738 -7.596 -6.950 370 HD21 ASN 42 1HD2 ASN 42 -4.433 -5.055 -7.570 371 HD22 ASN 42 2HD2 ASN 42 -5.437 -4.146 -8.636 372 H GLU 43 H GLU 43 -5.215 -8.181 -3.837 373 HA GLU 43 HA GLU 43 -7.394 -10.040 -3.572 374 HB2 GLU 43 2HB GLU 43 -4.628 -9.964 -2.280 375 HB3 GLU 43 3HB GLU 43 -5.776 -11.281 -2.041 376 HG2 GLU 43 2HG GLU 43 -5.724 -11.808 -4.433 377 HG3 GLU 43 3HG GLU 43 -4.653 -10.441 -4.730 378 H ARG 44 H ARG 44 -5.718 -7.849 -1.321 379 HA ARG 44 HA ARG 44 -7.208 -8.316 1.009 380 HB2 ARG 44 2HB ARG 44 -5.090 -7.054 1.048 381 HB3 ARG 44 3HB ARG 44 -5.786 -5.793 0.043 382 HG2 ARG 44 2HG ARG 44 -5.678 -4.928 2.266 383 HG3 ARG 44 3HG ARG 44 -7.375 -5.249 1.933 384 HD2 ARG 44 2HD ARG 44 -5.567 -7.107 3.521 385 HD3 ARG 44 3HD ARG 44 -6.609 -5.877 4.241 386 HE ARG 44 HE ARG 44 -8.377 -7.293 2.805 387 HH11 ARG 44 1HH1 ARG 44 -5.913 -8.367 5.074 388 HH12 ARG 44 2HH1 ARG 44 -6.803 -9.770 5.565 389 HH21 ARG 44 1HH2 ARG 44 -9.523 -9.154 3.466 390 HH22 ARG 44 2HH2 ARG 44 -8.840 -10.213 4.656 391 H MET 45 H MET 45 -7.719 -6.110 -1.703 392 HA MET 45 HA MET 45 -10.203 -5.077 -0.558 393 HB2 MET 45 2HB MET 45 -8.719 -4.263 -3.080 394 HB3 MET 45 3HB MET 45 -10.196 -3.509 -2.491 395 HG2 MET 45 2HG MET 45 -8.924 -2.970 -0.349 396 HG3 MET 45 3HG MET 45 -7.464 -3.471 -1.206 397 HE1 MET 45 3HE MET 45 -10.115 0.066 -2.547 398 HE2 MET 45 1HE MET 45 -10.469 -0.919 -1.128 399 HE3 MET 45 2HE MET 45 -10.609 -1.614 -2.744 400 H ASP 46 H ASP 46 -9.543 -7.804 -2.256 401 HA ASP 46 HA ASP 46 -11.504 -7.741 -4.296 402 HB2 ASP 46 2HB ASP 46 -9.652 -9.432 -4.196 403 HB3 ASP 46 3HB ASP 46 -10.481 -10.248 -2.877 404 HA PRO 47 HA PRO 47 -14.644 -9.647 -1.028 405 HB2 PRO 47 2HB PRO 47 -14.090 -9.119 1.639 406 HB3 PRO 47 3HB PRO 47 -13.664 -10.643 0.834 407 HG2 PRO 47 2HG PRO 47 -11.921 -8.241 1.336 408 HG3 PRO 47 3HG PRO 47 -11.559 -9.963 1.601 409 HD2 PRO 47 2HD PRO 47 -10.654 -8.693 -0.576 410 HD3 PRO 47 3HD PRO 47 -11.233 -10.379 -0.689 411 H ILE 48 H ILE 48 -12.806 -6.700 -0.674 412 HA ILE 48 HA ILE 48 -14.784 -5.144 0.737 413 HB ILE 48 HB ILE 48 -12.257 -4.266 -0.739 414 HG12 ILE 48 2HG1 ILE 48 -11.645 -5.863 0.996 415 HG13 ILE 48 3HG1 ILE 48 -11.162 -4.259 1.522 416 HG21 ILE 48 1HG2 ILE 48 -12.313 -2.234 0.642 417 HG22 ILE 48 2HG2 ILE 48 -13.850 -2.743 1.341 418 HG23 ILE 48 3HG2 ILE 48 -13.748 -2.366 -0.377 419 HD11 ILE 48 3HD1 ILE 48 -12.042 -5.532 3.358 420 HD12 ILE 48 1HD1 ILE 48 -13.550 -5.823 2.493 421 HD13 ILE 48 2HD1 ILE 48 -13.126 -4.189 3.008 422 H LYS 49 H LYS 49 -13.804 -5.614 -2.632 423 HA LYS 49 HA LYS 49 -15.434 -3.527 -3.755 424 HB2 LYS 49 2HB LYS 49 -14.116 -5.926 -5.090 425 HB3 LYS 49 3HB LYS 49 -14.897 -4.599 -5.950 426 HG2 LYS 49 2HG LYS 49 -13.246 -3.019 -5.149 427 HG3 LYS 49 3HG LYS 49 -12.516 -4.241 -4.110 428 HD2 LYS 49 2HD LYS 49 -11.930 -5.549 -6.207 429 HD3 LYS 49 3HD LYS 49 -12.496 -4.167 -7.152 430 HE2 LYS 49 2HE LYS 49 -10.804 -2.733 -6.004 431 HE3 LYS 49 3HE LYS 49 -10.211 -4.156 -5.145 432 HZ1 LYS 49 3HZ LYS 49 -9.679 -5.140 -7.335 433 HZ2 LYS 49 1HZ LYS 49 -8.823 -3.713 -7.029 434 HZ3 LYS 49 2HZ LYS 49 -10.144 -3.695 -8.080 435 H LYS 50 H LYS 50 -15.790 -6.912 -3.008 436 HA LYS 50 HA LYS 50 -18.349 -7.291 -4.251 437 HB2 LYS 50 2HB LYS 50 -16.549 -9.041 -3.729 438 HB3 LYS 50 3HB LYS 50 -17.049 -8.952 -2.053 439 HG2 LYS 50 2HG LYS 50 -18.983 -9.700 -4.268 440 HG3 LYS 50 3HG LYS 50 -17.940 -10.892 -3.506 441 HD2 LYS 50 2HD LYS 50 -20.116 -9.254 -2.158 442 HD3 LYS 50 3HD LYS 50 -20.149 -10.983 -2.501 443 HE2 LYS 50 2HE LYS 50 -18.323 -9.563 -0.534 444 HE3 LYS 50 3HE LYS 50 -19.659 -10.647 -0.145 445 HZ1 LYS 50 3HZ LYS 50 -17.527 -11.731 0.021 446 HZ2 LYS 50 1HZ LYS 50 -17.198 -11.424 -1.601 447 HZ3 LYS 50 2HZ LYS 50 -18.469 -12.452 -1.172 448 H LEU 51 H LEU 51 -17.178 -6.171 -1.143 449 HA LEU 51 HA LEU 51 -19.719 -6.201 0.238 450 HB2 LEU 51 2HB LEU 51 -17.120 -4.714 0.818 451 HB3 LEU 51 3HB LEU 51 -18.540 -4.579 1.842 452 HG LEU 51 HG LEU 51 -17.029 -7.172 1.324 453 HD11 LEU 51 1HD1 LEU 51 -15.647 -5.621 2.615 454 HD12 LEU 51 2HD1 LEU 51 -16.157 -6.990 3.596 455 HD13 LEU 51 3HD1 LEU 51 -16.943 -5.422 3.798 456 HD21 LEU 51 3HD2 LEU 51 -19.380 -7.585 1.816 457 HD22 LEU 51 1HD2 LEU 51 -19.276 -6.597 3.277 458 HD23 LEU 51 2HD2 LEU 51 -18.367 -8.107 3.157 459 H GLY 52 H GLY 52 -17.961 -4.012 -1.863 460 HA2 GLY 52 2HA GLY 52 -18.689 -2.225 -3.114 461 HA3 GLY 52 3HA GLY 52 -20.310 -2.464 -2.477 462 H CYS 53 H CYS 53 -17.330 -1.918 -0.645 463 HA CYS 53 HA CYS 53 -18.420 0.282 0.824 464 HB2 CYS 53 2HB CYS 53 -15.649 -0.940 0.685 465 HB3 CYS 53 3HB CYS 53 -16.007 0.467 1.689 466 H LYS 54 H LYS 54 -18.934 2.013 -0.320 467 HA LYS 54 HA LYS 54 -18.127 2.775 -2.845 468 HB2 LYS 54 2HB LYS 54 -19.220 4.641 -0.700 469 HB3 LYS 54 3HB LYS 54 -19.335 4.880 -2.442 470 HG2 LYS 54 2HG LYS 54 -20.845 2.944 -2.626 471 HG3 LYS 54 3HG LYS 54 -20.674 2.634 -0.894 472 HD2 LYS 54 2HD LYS 54 -21.638 4.949 -0.471 473 HD3 LYS 54 3HD LYS 54 -21.978 5.061 -2.201 474 HE2 LYS 54 2HE LYS 54 -23.099 2.975 -0.300 475 HE3 LYS 54 3HE LYS 54 -23.966 4.379 -0.915 476 HZ1 LYS 54 3HZ LYS 54 -22.930 2.133 -2.551 477 HZ2 LYS 54 1HZ LYS 54 -23.753 3.483 -3.146 478 HZ3 LYS 54 2HZ LYS 54 -24.544 2.391 -2.128 479 H ARG 55 H ARG 55 -16.896 3.899 0.246 480 HA ARG 55 HA ARG 55 -14.549 5.130 -1.063 481 HB2 ARG 55 2HB ARG 55 -16.196 6.926 -0.366 482 HB3 ARG 55 3HB ARG 55 -16.085 6.345 1.292 483 HG2 ARG 55 2HG ARG 55 -13.549 6.837 1.110 484 HG3 ARG 55 3HG ARG 55 -13.953 7.734 -0.357 485 HD2 ARG 55 2HD ARG 55 -13.846 9.293 1.493 486 HD3 ARG 55 3HD ARG 55 -15.540 9.133 1.018 487 HE ARG 55 HE ARG 55 -15.748 7.525 2.925 488 HH11 ARG 55 1HH1 ARG 55 -13.258 10.020 3.065 489 HH12 ARG 55 2HH1 ARG 55 -13.210 10.028 4.800 490 HH21 ARG 55 1HH2 ARG 55 -15.640 7.525 5.160 491 HH22 ARG 55 2HH2 ARG 55 -14.566 8.605 5.991 492 H VAL 56 H VAL 56 -12.678 4.427 -0.113 493 HA VAL 56 HA VAL 56 -12.829 3.053 2.522 494 HB VAL 56 HB VAL 56 -11.071 1.459 1.707 495 HG11 VAL 56 1HG1 VAL 56 -13.640 1.389 0.076 496 HG12 VAL 56 2HG1 VAL 56 -13.431 0.768 1.714 497 HG13 VAL 56 3HG1 VAL 56 -12.562 0.021 0.375 498 HG21 VAL 56 3HG2 VAL 56 -10.610 1.230 -0.707 499 HG22 VAL 56 1HG2 VAL 56 -10.118 2.819 -0.121 500 HG23 VAL 56 2HG2 VAL 56 -11.610 2.644 -1.048 501 H ARG 57 H ARG 57 -11.160 3.409 3.941 502 HA ARG 57 HA ARG 57 -8.996 5.281 3.176 503 HB2 ARG 57 2HB ARG 57 -10.225 6.042 5.145 504 HB3 ARG 57 3HB ARG 57 -10.092 4.461 5.910 505 HG2 ARG 57 2HG ARG 57 -7.644 4.751 6.093 506 HG3 ARG 57 3HG ARG 57 -7.768 6.331 5.325 507 HD2 ARG 57 2HD ARG 57 -9.043 7.192 7.232 508 HD3 ARG 57 3HD ARG 57 -9.048 5.584 7.976 509 HE ARG 57 HE ARG 57 -6.541 5.790 7.985 510 HH11 ARG 57 1HH1 ARG 57 -8.550 8.678 8.244 511 HH12 ARG 57 2HH1 ARG 57 -7.328 9.580 9.081 512 HH21 ARG 57 1HH2 ARG 57 -4.952 7.014 9.017 513 HH22 ARG 57 2HH2 ARG 57 -5.294 8.638 9.516 514 H ILE 58 H ILE 58 -7.311 4.109 2.402 515 HA ILE 58 HA ILE 58 -6.496 1.585 3.717 516 HB ILE 58 HB ILE 58 -5.394 2.801 1.128 517 HG12 ILE 58 2HG1 ILE 58 -7.512 0.605 1.345 518 HG13 ILE 58 3HG1 ILE 58 -7.864 2.281 0.946 519 HG21 ILE 58 1HG2 ILE 58 -4.516 0.525 0.697 520 HG22 ILE 58 2HG2 ILE 58 -5.176 -0.030 2.236 521 HG23 ILE 58 3HG2 ILE 58 -3.887 1.173 2.214 522 HD11 ILE 58 3HD1 ILE 58 -6.497 2.079 -1.081 523 HD12 ILE 58 1HD1 ILE 58 -7.828 0.924 -1.037 524 HD13 ILE 58 2HD1 ILE 58 -6.187 0.384 -0.688 525 H SER 59 H SER 59 -5.231 2.141 5.478 526 HA SER 59 HA SER 59 -3.169 4.225 5.226 527 HB2 SER 59 2HB SER 59 -4.369 2.889 7.701 528 HB3 SER 59 3HB SER 59 -3.084 4.101 7.729 529 HG SER 59 HG SER 59 -4.583 5.528 6.651 530 H ILE 60 H ILE 60 -1.446 3.258 4.311 531 HA ILE 60 HA ILE 60 -0.582 0.577 5.167 532 HB ILE 60 HB ILE 60 0.283 2.292 2.796 533 HG12 ILE 60 2HG1 ILE 60 -1.302 -0.317 2.954 534 HG13 ILE 60 3HG1 ILE 60 -1.947 1.264 2.530 535 HG21 ILE 60 1HG2 ILE 60 1.296 -0.479 3.550 536 HG22 ILE 60 2HG2 ILE 60 2.232 1.014 3.605 537 HG23 ILE 60 3HG2 ILE 60 1.679 0.382 2.056 538 HD11 ILE 60 3HD1 ILE 60 -1.715 -0.038 0.558 539 HD12 ILE 60 1HD1 ILE 60 -0.027 -0.405 0.918 540 HD13 ILE 60 2HD1 ILE 60 -0.508 1.245 0.508 541 H ARG 61 H ARG 61 1.097 0.321 6.485 542 HA ARG 61 HA ARG 61 3.022 2.538 6.905 543 HB2 ARG 61 2HB ARG 61 1.580 1.873 8.899 544 HB3 ARG 61 3HB ARG 61 2.346 0.287 8.851 545 HG2 ARG 61 2HG ARG 61 4.557 1.375 9.218 546 HG3 ARG 61 3HG ARG 61 3.746 2.940 9.321 547 HD2 ARG 61 2HD ARG 61 3.441 0.594 11.214 548 HD3 ARG 61 3HD ARG 61 4.208 2.143 11.555 549 HE ARG 61 HE ARG 61 1.307 1.698 11.173 550 HH11 ARG 61 1HH1 ARG 61 3.900 3.731 12.450 551 HH12 ARG 61 2HH1 ARG 61 2.805 4.763 13.313 552 HH21 ARG 61 1HH2 ARG 61 -0.074 3.016 12.378 553 HH22 ARG 61 2HH2 ARG 61 0.569 4.359 13.270 554 H VAL 62 H VAL 62 4.967 2.103 6.067 555 HA VAL 62 HA VAL 62 5.662 -0.640 5.238 556 HB VAL 62 HB VAL 62 5.842 1.072 3.476 557 HG11 VAL 62 1HG1 VAL 62 6.272 3.075 4.844 558 HG12 VAL 62 2HG1 VAL 62 7.466 2.909 3.554 559 HG13 VAL 62 3HG1 VAL 62 7.895 2.478 5.213 560 HG21 VAL 62 3HG2 VAL 62 7.419 -0.781 3.383 561 HG22 VAL 62 1HG2 VAL 62 8.576 0.102 4.378 562 HG23 VAL 62 2HG2 VAL 62 8.178 0.679 2.755 563 H LYS 63 H LYS 63 7.492 -1.697 6.057 564 HA LYS 63 HA LYS 63 8.376 -0.768 8.657 565 HB2 LYS 63 2HB LYS 63 7.779 -3.184 8.133 566 HB3 LYS 63 3HB LYS 63 9.256 -3.283 7.182 567 HG2 LYS 63 2HG LYS 63 10.611 -2.812 9.187 568 HG3 LYS 63 3HG LYS 63 9.143 -2.618 10.149 569 HD2 LYS 63 2HD LYS 63 8.571 -5.028 9.621 570 HD3 LYS 63 3HD LYS 63 10.146 -5.175 8.841 571 HE2 LYS 63 2HE LYS 63 11.264 -4.681 10.983 572 HE3 LYS 63 3HE LYS 63 9.693 -4.480 11.764 573 HZ1 LYS 63 3HZ LYS 63 10.681 -6.995 10.521 574 HZ2 LYS 63 1HZ LYS 63 9.196 -6.794 11.300 575 HZ3 LYS 63 2HZ LYS 63 10.633 -6.673 12.179 576 H HIS 64 H HIS 64 10.175 0.370 8.986 577 HA HIS 64 HA HIS 64 12.013 0.901 6.748 578 HB2 HIS 64 2HB HIS 64 11.550 2.372 9.378 579 HB3 HIS 64 3HB HIS 64 12.768 2.839 8.191 580 HD1 HIS 64 HD1 HIS 64 9.987 4.330 9.218 581 HD2 HIS 64 HD2 HIS 64 10.879 2.723 5.487 582 HE1 HIS 64 HE1 HIS 64 8.508 5.541 7.595 583 HE2 HIS 64 HE2 HIS 64 9.076 4.575 5.347 584 H SER 65 H SER 65 14.219 0.833 7.016 585 HA SER 65 HA SER 65 15.234 -1.354 8.580 586 HB2 SER 65 2HB SER 65 16.677 0.625 6.761 587 HB3 SER 65 3HB SER 65 17.310 -0.928 7.332 588 HG SER 65 HG SER 65 14.970 -0.572 5.758 589 H ASP 66 H ASP 66 15.671 2.179 8.575 590 HA ASP 66 HA ASP 66 16.669 2.207 11.307 591 HB2 ASP 66 2HB ASP 66 18.756 1.658 10.214 592 HB3 ASP 66 3HB ASP 66 18.485 2.833 8.943 593 H ALA 67 H ALA 67 16.954 4.423 12.132 594 HA ALA 67 HA ALA 67 14.765 6.065 11.565 595 HB1 ALA 67 3HB ALA 67 15.884 5.971 13.753 596 HB2 ALA 67 1HB ALA 67 15.729 7.632 13.183 597 HB3 ALA 67 2HB ALA 67 17.288 6.804 13.082 598 H ALA 68 H ALA 68 18.184 6.521 10.625 599 HA ALA 68 HA ALA 68 17.741 9.023 9.236 600 HB1 ALA 68 3HB ALA 68 19.926 8.492 10.237 601 HB2 ALA 68 1HB ALA 68 20.080 8.791 8.505 602 HB3 ALA 68 2HB ALA 68 20.119 7.136 9.127 603 H GLU 69 H GLU 69 17.496 5.665 8.437 604 HA GLU 69 HA GLU 69 17.556 6.064 5.560 605 HB2 GLU 69 2HB GLU 69 16.854 3.584 7.182 606 HB3 GLU 69 3HB GLU 69 17.066 3.637 5.435 607 HG2 GLU 69 2HG GLU 69 19.188 4.140 7.533 608 HG3 GLU 69 3HG GLU 69 19.058 2.734 6.480 609 H GLU 70 H GLU 70 15.156 6.261 8.041 610 HA GLU 70 HA GLU 70 12.833 5.393 6.745 611 HB2 GLU 70 2HB GLU 70 13.087 7.702 8.720 612 HB3 GLU 70 3HB GLU 70 11.566 6.959 8.235 613 HG2 GLU 70 2HG GLU 70 12.433 4.787 9.171 614 HG3 GLU 70 3HG GLU 70 13.809 5.677 9.812 615 H LYS 71 H LYS 71 14.374 8.586 6.670 616 HA LYS 71 HA LYS 71 12.429 9.951 5.138 617 HB2 LYS 71 2HB LYS 71 14.215 11.642 4.744 618 HB3 LYS 71 3HB LYS 71 14.112 11.161 6.434 619 HG2 LYS 71 2HG LYS 71 16.051 9.606 6.039 620 HG3 LYS 71 3HG LYS 71 16.212 10.289 4.425 621 HD2 LYS 71 2HD LYS 71 16.430 11.903 6.998 622 HD3 LYS 71 3HD LYS 71 17.806 11.214 6.143 623 HE2 LYS 71 2HE LYS 71 17.727 13.491 5.506 624 HE3 LYS 71 3HE LYS 71 17.091 12.605 4.126 625 HZ1 LYS 71 3HZ LYS 71 15.407 13.947 6.177 626 HZ2 LYS 71 1HZ LYS 71 14.873 13.255 4.733 627 HZ3 LYS 71 2HZ LYS 71 15.836 14.641 4.703 628 H LYS 72 H LYS 72 15.165 7.931 4.192 629 HA LYS 72 HA LYS 72 15.085 8.488 1.385 630 HB2 LYS 72 2HB LYS 72 16.198 6.069 2.872 631 HB3 LYS 72 3HB LYS 72 16.467 6.415 1.164 632 HG2 LYS 72 2HG LYS 72 17.665 8.480 1.755 633 HG3 LYS 72 3HG LYS 72 17.386 8.157 3.472 634 HD2 LYS 72 2HD LYS 72 18.673 6.027 3.256 635 HD3 LYS 72 3HD LYS 72 18.983 6.403 1.558 636 HE2 LYS 72 2HE LYS 72 20.281 8.359 2.185 637 HE3 LYS 72 3HE LYS 72 19.866 8.131 3.885 638 HZ1 LYS 72 3HZ LYS 72 22.060 7.300 3.469 639 HZ2 LYS 72 1HZ LYS 72 21.511 6.303 2.220 640 HZ3 LYS 72 2HZ LYS 72 21.047 5.991 3.815 641 H GLU 73 H GLU 73 14.035 5.702 3.331 642 HA GLU 73 HA GLU 73 12.864 4.187 1.270 643 HB2 GLU 73 2HB GLU 73 12.404 4.089 4.281 644 HB3 GLU 73 3HB GLU 73 11.894 2.838 3.149 645 HG2 GLU 73 2HG GLU 73 14.193 2.296 2.614 646 HG3 GLU 73 3HG GLU 73 14.780 3.662 3.563 647 H ALA 74 H ALA 74 11.517 6.679 3.363 648 HA ALA 74 HA ALA 74 8.765 6.084 2.977 649 HB1 ALA 74 3HB ALA 74 8.345 8.344 3.832 650 HB2 ALA 74 1HB ALA 74 10.059 8.749 3.663 651 HB3 ALA 74 2HB ALA 74 9.549 7.517 4.818 652 H LYS 75 H LYS 75 10.891 8.563 1.552 653 HA LYS 75 HA LYS 75 9.192 9.558 -0.468 654 HB2 LYS 75 2HB LYS 75 11.354 10.534 0.549 655 HB3 LYS 75 3HB LYS 75 12.254 9.463 -0.502 656 HG2 LYS 75 2HG LYS 75 10.358 11.602 -1.539 657 HG3 LYS 75 3HG LYS 75 12.064 11.894 -1.221 658 HD2 LYS 75 2HD LYS 75 12.600 10.053 -2.881 659 HD3 LYS 75 3HD LYS 75 10.884 10.005 -3.290 660 HE2 LYS 75 2HE LYS 75 12.778 12.352 -3.641 661 HE3 LYS 75 3HE LYS 75 12.058 11.374 -4.918 662 HZ1 LYS 75 3HZ LYS 75 9.878 12.211 -4.235 663 HZ2 LYS 75 1HZ LYS 75 10.916 13.459 -4.690 664 HZ3 LYS 75 2HZ LYS 75 10.605 13.174 -3.060 665 H LYS 76 H LYS 76 11.644 7.035 -0.508 666 HA LYS 76 HA LYS 76 11.815 6.465 -3.244 667 HB2 LYS 76 2HB LYS 76 13.459 5.931 -1.399 668 HB3 LYS 76 3HB LYS 76 12.399 4.626 -0.886 669 HG2 LYS 76 2HG LYS 76 12.775 3.491 -3.053 670 HG3 LYS 76 3HG LYS 76 13.835 4.818 -3.554 671 HD2 LYS 76 2HD LYS 76 15.331 4.336 -1.610 672 HD3 LYS 76 3HD LYS 76 14.292 2.980 -1.160 673 HE2 LYS 76 2HE LYS 76 15.877 3.237 -3.732 674 HE3 LYS 76 3HE LYS 76 16.287 2.219 -2.352 675 HZ1 LYS 76 3HZ LYS 76 15.229 0.947 -4.092 676 HZ2 LYS 76 1HZ LYS 76 13.873 1.952 -4.051 677 HZ3 LYS 76 2HZ LYS 76 14.243 0.981 -2.722 678 H PHE 77 H PHE 77 10.172 4.652 -0.661 679 HA PHE 77 HA PHE 77 8.801 2.860 -2.441 680 HB2 PHE 77 2HB PHE 77 9.591 2.282 -0.102 681 HB3 PHE 77 3HB PHE 77 8.308 3.299 0.535 682 HD1 PHE 77 HD1 PHE 77 8.780 0.392 -1.827 683 HD2 PHE 77 HD2 PHE 77 6.298 2.222 1.140 684 HE1 PHE 77 HE1 PHE 77 7.287 -1.563 -1.859 685 HE2 PHE 77 HE2 PHE 77 4.814 0.263 1.099 686 HZ PHE 77 HZ PHE 77 5.304 -1.630 -0.397 687 H ALA 78 H ALA 78 8.143 6.001 -1.135 688 HA ALA 78 HA ALA 78 5.325 6.131 -1.425 689 HB1 ALA 78 3HB ALA 78 5.606 8.570 -1.615 690 HB2 ALA 78 1HB ALA 78 7.352 8.356 -1.809 691 HB3 ALA 78 2HB ALA 78 6.567 7.903 -0.298 692 H ALA 79 H ALA 79 7.990 6.771 -3.702 693 HA ALA 79 HA ALA 79 6.477 7.516 -5.952 694 HB1 ALA 79 3HB ALA 79 9.159 6.078 -5.862 695 HB2 ALA 79 1HB ALA 79 8.916 7.824 -5.796 696 HB3 ALA 79 2HB ALA 79 8.492 6.933 -7.258 697 H ILE 80 H ILE 80 7.531 4.369 -4.766 698 HA ILE 80 HA ILE 80 6.624 2.707 -6.855 699 HB ILE 80 HB ILE 80 7.134 2.175 -3.900 700 HG12 ILE 80 2HG1 ILE 80 9.105 2.910 -5.145 701 HG13 ILE 80 3HG1 ILE 80 9.272 1.212 -4.718 702 HG21 ILE 80 1HG2 ILE 80 7.243 -0.222 -4.388 703 HG22 ILE 80 2HG2 ILE 80 6.751 0.078 -6.054 704 HG23 ILE 80 3HG2 ILE 80 5.633 0.417 -4.736 705 HD11 ILE 80 3HD1 ILE 80 10.078 1.607 -6.949 706 HD12 ILE 80 1HD1 ILE 80 8.536 2.308 -7.434 707 HD13 ILE 80 2HD1 ILE 80 8.639 0.593 -7.023 708 H LEU 81 H LEU 81 5.060 3.608 -3.747 709 HA LEU 81 HA LEU 81 2.705 2.069 -4.111 710 HB2 LEU 81 2HB LEU 81 3.428 4.387 -2.289 711 HB3 LEU 81 3HB LEU 81 1.793 3.755 -2.315 712 HG LEU 81 HG LEU 81 4.284 2.180 -1.534 713 HD11 LEU 81 1HD1 LEU 81 3.646 3.830 0.165 714 HD12 LEU 81 2HD1 LEU 81 3.352 2.192 0.737 715 HD13 LEU 81 3HD1 LEU 81 1.999 3.192 0.197 716 HD21 LEU 81 3HD2 LEU 81 1.374 1.288 -1.537 717 HD22 LEU 81 1HD2 LEU 81 2.734 0.375 -0.874 718 HD23 LEU 81 2HD2 LEU 81 2.652 0.696 -2.602 719 H ASN 82 H ASN 82 3.559 5.416 -4.802 720 HA ASN 82 HA ASN 82 1.040 6.491 -5.454 721 HB2 ASN 82 2HB ASN 82 3.121 7.808 -4.979 722 HB3 ASN 82 3HB ASN 82 3.795 7.287 -6.518 723 HD21 ASN 82 1HD2 ASN 82 3.961 9.271 -7.437 724 HD22 ASN 82 2HD2 ASN 82 2.630 10.307 -7.792 725 H LYS 83 H LYS 83 3.511 4.897 -7.445 726 HA LYS 83 HA LYS 83 2.173 5.135 -9.953 727 HB2 LYS 83 2HB LYS 83 4.334 3.186 -9.038 728 HB3 LYS 83 3HB LYS 83 3.770 3.319 -10.699 729 HG2 LYS 83 2HG LYS 83 5.200 5.465 -9.108 730 HG3 LYS 83 3HG LYS 83 5.866 4.512 -10.436 731 HD2 LYS 83 2HD LYS 83 4.194 5.535 -11.973 732 HD3 LYS 83 3HD LYS 83 3.587 6.516 -10.637 733 HE2 LYS 83 2HE LYS 83 5.823 7.587 -10.445 734 HE3 LYS 83 3HE LYS 83 6.378 6.637 -11.827 735 HZ1 LYS 83 3HZ LYS 83 5.700 8.843 -12.513 736 HZ2 LYS 83 1HZ LYS 83 4.159 8.614 -11.856 737 HZ3 LYS 83 2HZ LYS 83 4.658 7.694 -13.180 738 H VAL 84 H VAL 84 2.200 2.635 -7.428 739 HA VAL 84 HA VAL 84 0.835 0.590 -8.848 740 HB VAL 84 HB VAL 84 1.248 1.121 -5.867 741 HG11 VAL 84 1HG1 VAL 84 -0.168 -1.289 -7.064 742 HG12 VAL 84 2HG1 VAL 84 -0.878 -0.075 -6.002 743 HG13 VAL 84 3HG1 VAL 84 0.372 -1.157 -5.389 744 HG21 VAL 84 3HG2 VAL 84 2.763 -0.827 -5.996 745 HG22 VAL 84 1HG2 VAL 84 3.237 0.422 -7.150 746 HG23 VAL 84 2HG2 VAL 84 2.388 -1.020 -7.710 747 H PHE 85 H PHE 85 -0.294 3.016 -6.510 748 HA PHE 85 HA PHE 85 -3.044 2.451 -6.584 749 HB2 PHE 85 2HB PHE 85 -1.627 5.063 -5.896 750 HB3 PHE 85 3HB PHE 85 -3.338 4.762 -5.610 751 HD1 PHE 85 HD1 PHE 85 -3.461 2.071 -4.500 752 HD2 PHE 85 HD2 PHE 85 -0.551 5.120 -3.787 753 HE1 PHE 85 HE1 PHE 85 -2.957 1.089 -2.304 754 HE2 PHE 85 HE2 PHE 85 -0.053 4.125 -1.600 755 HZ PHE 85 HZ PHE 85 -1.256 2.118 -0.858 756 H ALA 86 H ALA 86 -1.056 4.585 -8.589 757 HA ALA 86 HA ALA 86 -3.091 5.840 -10.107 758 HB1 ALA 86 3HB ALA 86 -1.317 6.336 -11.733 759 HB2 ALA 86 1HB ALA 86 -0.254 5.152 -10.956 760 HB3 ALA 86 2HB ALA 86 -0.748 6.604 -10.087 761 H GLU 87 H GLU 87 -1.592 2.689 -10.327 762 HA GLU 87 HA GLU 87 -2.744 1.980 -12.918 763 HB2 GLU 87 2HB GLU 87 -1.077 0.394 -10.909 764 HB3 GLU 87 3HB GLU 87 -1.595 -0.225 -12.476 765 HG2 GLU 87 2HG GLU 87 -0.253 1.419 -13.646 766 HG3 GLU 87 3HG GLU 87 0.131 2.244 -12.140 767 H LEU 88 H LEU 88 -3.828 2.028 -9.695 768 HA LEU 88 HA LEU 88 -5.604 -0.329 -9.993 769 HB2 LEU 88 2HB LEU 88 -5.052 1.311 -7.483 770 HB3 LEU 88 3HB LEU 88 -6.049 -0.130 -7.576 771 HG LEU 88 HG LEU 88 -3.031 0.038 -7.810 772 HD11 LEU 88 1HD1 LEU 88 -3.006 -1.397 -5.837 773 HD12 LEU 88 2HD1 LEU 88 -4.771 -1.394 -5.797 774 HD13 LEU 88 3HD1 LEU 88 -3.878 0.105 -5.529 775 HD21 LEU 88 3HD2 LEU 88 -4.721 -2.434 -8.255 776 HD22 LEU 88 1HD2 LEU 88 -2.958 -2.392 -8.135 777 HD23 LEU 88 2HD2 LEU 88 -3.769 -1.586 -9.476 778 H GLY 89 H GLY 89 -5.588 2.889 -10.657 779 HA2 GLY 89 2HA GLY 89 -7.405 4.017 -11.633 780 HA3 GLY 89 3HA GLY 89 -8.527 3.060 -10.681 781 H TYR 90 H TYR 90 -6.178 4.007 -8.556 782 HA TYR 90 HA TYR 90 -7.829 6.102 -7.403 783 HB2 TYR 90 2HB TYR 90 -5.097 5.148 -6.431 784 HB3 TYR 90 3HB TYR 90 -6.302 6.037 -5.504 785 HD1 TYR 90 HD2 TYR 90 -8.788 4.462 -6.086 786 HD2 TYR 90 HD1 TYR 90 -4.818 3.126 -5.260 787 HE1 TYR 90 HE2 TYR 90 -9.672 2.335 -5.237 788 HE2 TYR 90 HE1 TYR 90 -5.699 1.000 -4.407 789 HH TYR 90 HH TYR 90 -7.796 0.126 -3.492 790 H ASN 91 H ASN 91 -7.322 8.274 -7.296 791 HA ASN 91 HA ASN 91 -5.581 9.400 -9.276 792 HB2 ASN 91 2HB ASN 91 -7.687 10.514 -8.579 793 HB3 ASN 91 3HB ASN 91 -7.047 10.732 -6.955 794 HD21 ASN 91 1HD2 ASN 91 -7.330 12.982 -7.093 795 HD22 ASN 91 2HD2 ASN 91 -6.320 13.991 -8.070 796 H ASP 92 H ASP 92 -3.655 10.569 -8.983 797 HA ASP 92 HA ASP 92 -1.649 9.675 -7.328 798 HB2 ASP 92 2HB ASP 92 -1.333 10.972 -9.416 799 HB3 ASP 92 3HB ASP 92 -2.016 12.403 -8.665 800 H SER 93 H SER 93 -3.473 12.710 -6.987 801 HA SER 93 HA SER 93 -2.237 13.718 -4.723 802 HB2 SER 93 2HB SER 93 -3.661 14.986 -6.363 803 HB3 SER 93 3HB SER 93 -5.094 14.298 -5.604 804 HG SER 93 HG SER 93 -4.367 15.294 -3.630 805 H ASN 94 H ASN 94 -4.588 11.167 -4.831 806 HA ASN 94 HA ASN 94 -5.730 11.541 -2.205 807 HB2 ASN 94 2HB ASN 94 -5.766 9.121 -4.058 808 HB3 ASN 94 3HB ASN 94 -6.684 9.237 -2.556 809 HD21 ASN 94 1HD2 ASN 94 -7.721 8.835 -5.182 810 HD22 ASN 94 2HD2 ASN 94 -8.782 10.158 -5.516 811 H VAL 95 H VAL 95 -2.806 10.155 -3.361 812 HA VAL 95 HA VAL 95 -2.277 8.386 -1.132 813 HB VAL 95 HB VAL 95 -0.318 9.604 -3.160 814 HG11 VAL 95 1HG1 VAL 95 0.036 7.144 -1.405 815 HG12 VAL 95 2HG1 VAL 95 0.836 8.700 -1.180 816 HG13 VAL 95 3HG1 VAL 95 1.186 7.732 -2.612 817 HG21 VAL 95 3HG2 VAL 95 -0.533 7.506 -4.450 818 HG22 VAL 95 1HG2 VAL 95 -2.080 8.348 -4.329 819 HG23 VAL 95 2HG2 VAL 95 -1.766 6.932 -3.323 820 H THR 96 H THR 96 -2.264 9.420 0.856 821 HA THR 96 HA THR 96 -1.025 12.119 1.077 822 HB THR 96 HB THR 96 -3.106 10.935 2.977 823 HG1 THR 96 HG1 THR 96 -4.052 11.114 0.928 824 HG21 THR 96 3HG2 THR 96 -1.785 12.835 3.882 825 HG22 THR 96 1HG2 THR 96 -3.477 13.276 3.644 826 HG23 THR 96 2HG2 THR 96 -2.255 13.819 2.494 827 H TRP 97 H TRP 97 1.089 11.402 1.555 828 HA TRP 97 HA TRP 97 1.644 9.565 3.688 829 HB2 TRP 97 2HB TRP 97 3.353 11.470 2.046 830 HB3 TRP 97 3HB TRP 97 4.029 10.653 3.455 831 HD1 TRP 97 HD1 TRP 97 2.714 9.872 -0.097 832 HE1 TRP 97 HE1 TRP 97 3.438 7.485 -0.726 833 HE3 TRP 97 HE3 TRP 97 4.704 8.395 4.396 834 HZ2 TRP 97 HZ2 TRP 97 4.699 5.278 0.504 835 HZ3 TRP 97 HZ3 TRP 97 5.648 6.126 4.581 836 HH2 TRP 97 HH2 TRP 97 5.643 4.598 2.670 837 H ASP 98 H ASP 98 1.008 10.022 5.634 838 HA ASP 98 HA ASP 98 1.132 12.743 6.769 839 HB2 ASP 98 2HB ASP 98 -1.077 11.661 6.863 840 HB3 ASP 98 3HB ASP 98 -0.388 10.231 7.618 841 H GLY 99 H GLY 99 3.468 12.477 6.850 842 HA2 GLY 99 2HA GLY 99 5.420 12.250 8.007 843 HA3 GLY 99 3HA GLY 99 4.466 11.811 9.415 844 H ASP 100 H ASP 100 3.948 9.631 9.767 845 HA ASP 100 HA ASP 100 5.995 7.732 8.968 846 HB2 ASP 100 2HB ASP 100 5.107 8.034 11.342 847 HB3 ASP 100 3HB ASP 100 3.574 7.366 10.803 848 H THR 101 H THR 101 2.427 7.837 8.938 849 HA THR 101 HA THR 101 2.331 5.389 7.268 850 HB THR 101 HB THR 101 0.104 6.587 8.990 851 HG1 THR 101 HG1 THR 101 2.362 5.182 9.721 852 HG21 THR 101 3HG2 THR 101 -0.661 4.940 7.275 853 HG22 THR 101 1HG2 THR 101 -0.860 4.324 8.918 854 HG23 THR 101 2HG2 THR 101 0.482 3.757 7.923 855 H VAL 102 H VAL 102 0.987 5.340 5.396 856 HA VAL 102 HA VAL 102 0.242 7.995 4.317 857 HB VAL 102 HB VAL 102 1.933 6.898 2.965 858 HG11 VAL 102 1HG1 VAL 102 0.068 4.534 2.635 859 HG12 VAL 102 2HG1 VAL 102 1.585 4.554 3.532 860 HG13 VAL 102 3HG1 VAL 102 1.598 4.766 1.781 861 HG21 VAL 102 3HG2 VAL 102 0.822 6.912 0.756 862 HG22 VAL 102 1HG2 VAL 102 0.288 8.254 1.770 863 HG23 VAL 102 2HG2 VAL 102 -0.752 6.847 1.550 864 H THR 103 H THR 103 -1.853 8.446 4.251 865 HA THR 103 HA THR 103 -3.915 6.352 4.362 866 HB THR 103 HB THR 103 -3.988 9.350 4.970 867 HG1 THR 103 HG1 THR 103 -3.611 8.681 6.936 868 HG21 THR 103 3HG2 THR 103 -6.171 8.692 4.016 869 HG22 THR 103 1HG2 THR 103 -6.311 9.003 5.748 870 HG23 THR 103 2HG2 THR 103 -6.273 7.343 5.151 871 H VAL 104 H VAL 104 -4.600 5.773 2.422 872 HA VAL 104 HA VAL 104 -4.714 7.673 0.152 873 HB VAL 104 HB VAL 104 -4.478 4.618 0.057 874 HG11 VAL 104 1HG1 VAL 104 -3.949 4.920 -2.344 875 HG12 VAL 104 2HG1 VAL 104 -4.244 6.656 -2.197 876 HG13 VAL 104 3HG1 VAL 104 -5.568 5.513 -1.957 877 HG21 VAL 104 3HG2 VAL 104 -2.134 4.943 -0.589 878 HG22 VAL 104 1HG2 VAL 104 -2.444 5.624 1.008 879 HG23 VAL 104 2HG2 VAL 104 -2.299 6.688 -0.394 880 H GLU 105 H GLU 105 -6.779 8.314 -0.167 881 HA GLU 105 HA GLU 105 -9.023 6.622 0.671 882 HB2 GLU 105 2HB GLU 105 -8.995 8.992 1.373 883 HB3 GLU 105 3HB GLU 105 -8.958 9.503 -0.313 884 HG2 GLU 105 2HG GLU 105 -11.182 8.466 -0.670 885 HG3 GLU 105 3HG GLU 105 -11.229 7.980 1.024 886 H GLY 106 H GLY 106 -9.850 5.274 -0.778 887 HA2 GLY 106 2HA GLY 106 -9.470 5.764 -3.676 888 HA3 GLY 106 3HA GLY 106 -9.639 4.194 -2.909 889 H GLN 107 H GLN 107 -11.179 5.936 -5.011 890 HA GLN 107 HA GLN 107 -13.915 5.620 -4.055 891 HB2 GLN 107 2HB GLN 107 -13.283 7.512 -5.559 892 HB3 GLN 107 3HB GLN 107 -12.871 6.381 -6.832 893 HG2 GLN 107 2HG GLN 107 -15.666 6.506 -5.675 894 HG3 GLN 107 3HG GLN 107 -15.157 7.614 -6.941 895 HE21 GLN 107 1HE2 GLN 107 -17.259 5.587 -7.007 896 HE22 GLN 107 2HE2 GLN 107 -16.861 4.537 -8.319 897 H LEU 108 H LEU 108 -14.827 3.719 -4.057 898 HA LEU 108 HA LEU 108 -14.062 1.584 -5.965 899 HB2 LEU 108 2HB LEU 108 -13.311 1.203 -3.641 900 HB3 LEU 108 3HB LEU 108 -14.939 1.411 -3.043 901 HG LEU 108 HG LEU 108 -14.242 -0.879 -4.927 902 HD11 LEU 108 1HD1 LEU 108 -14.019 -0.890 -1.893 903 HD12 LEU 108 2HD1 LEU 108 -12.679 -0.994 -3.037 904 HD13 LEU 108 3HD1 LEU 108 -13.858 -2.297 -2.950 905 HD21 LEU 108 3HD2 LEU 108 -16.414 -0.609 -2.807 906 HD22 LEU 108 1HD2 LEU 108 -16.174 -1.983 -3.886 907 HD23 LEU 108 2HD2 LEU 108 -16.658 -0.429 -4.545 908 H GLU 109 H GLU 109 -15.767 0.549 -6.995 909 HA GLU 109 HA GLU 109 -18.526 1.197 -6.242 910 HB2 GLU 109 2HB GLU 109 -19.072 1.701 -8.675 911 HB3 GLU 109 3HB GLU 109 -18.163 2.933 -7.813 912 HG2 GLU 109 2HG GLU 109 -16.101 2.269 -8.925 913 HG3 GLU 109 3HG GLU 109 -16.914 0.915 -9.707 914 H GLY 110 H GLY 110 -19.623 -0.604 -6.101 915 HA2 GLY 110 2HA GLY 110 -19.055 -2.903 -7.912 916 HA3 GLY 110 3HA GLY 110 -19.751 -3.026 -6.300 917 H VAL 111 H VAL 111 -20.317 -1.810 -9.551 918 HA VAL 111 HA VAL 111 -22.914 -0.814 -9.356 919 HB VAL 111 HB VAL 111 -21.589 -2.177 -11.749 920 HG11 VAL 111 1HG1 VAL 111 -23.092 -0.858 -13.190 921 HG12 VAL 111 2HG1 VAL 111 -23.924 -0.227 -11.767 922 HG13 VAL 111 3HG1 VAL 111 -24.010 -1.947 -12.148 923 HG21 VAL 111 3HG2 VAL 111 -20.249 -0.337 -10.819 924 HG22 VAL 111 1HG2 VAL 111 -21.628 0.758 -10.966 925 HG23 VAL 111 2HG2 VAL 111 -20.879 0.078 -12.414 926 H ASP 112 H ASP 112 -21.820 -4.101 -9.869 927 HA ASP 112 HA ASP 112 -24.526 -5.150 -9.284 928 HB2 ASP 112 2HB ASP 112 -23.883 -5.523 -11.684 929 HB3 ASP 112 3HB ASP 112 -22.436 -6.376 -11.161 930 H LEU 113 H LEU 113 -24.211 -5.534 -7.137 931 HA LEU 113 HA LEU 113 -21.782 -6.729 -6.103 932 HB2 LEU 113 2HB LEU 113 -24.393 -5.921 -4.771 933 HB3 LEU 113 3HB LEU 113 -23.062 -6.664 -3.901 934 HG LEU 113 HG LEU 113 -22.959 -3.968 -5.317 935 HD11 LEU 113 1HD1 LEU 113 -22.765 -2.993 -3.071 936 HD12 LEU 113 2HD1 LEU 113 -22.942 -4.592 -2.344 937 HD13 LEU 113 3HD1 LEU 113 -24.279 -3.881 -3.248 938 HD21 LEU 113 3HD2 LEU 113 -20.803 -5.380 -3.711 939 HD22 LEU 113 1HD2 LEU 113 -20.717 -3.724 -4.321 940 HD23 LEU 113 2HD2 LEU 113 -20.786 -5.073 -5.449 941 H GLU 114 H GLU 114 -21.466 -8.773 -6.557 942 HA GLU 114 HA GLU 114 -23.531 -10.770 -6.874 943 HB2 GLU 114 2HB GLU 114 -21.683 -12.288 -7.381 944 HB3 GLU 114 3HB GLU 114 -21.457 -10.768 -8.230 945 HG2 GLU 114 2HG GLU 114 -19.333 -10.810 -7.460 946 HG3 GLU 114 3HG GLU 114 -20.003 -10.332 -5.907 947 H HIS 115 H HIS 115 -23.366 -12.896 -5.661 948 HA HIS 115 HA HIS 115 -22.166 -12.941 -3.059 949 HB2 HIS 115 2HB HIS 115 -24.307 -13.232 -1.756 950 HB3 HIS 115 3HB HIS 115 -24.079 -11.606 -2.384 951 HD1 HIS 115 HD1 HIS 115 -25.657 -10.893 -4.391 952 HD2 HIS 115 HD2 HIS 115 -26.656 -14.503 -2.589 953 HE1 HIS 115 HE1 HIS 115 -27.968 -11.448 -5.206 954 HE2 HIS 115 HE2 HIS 115 -28.584 -13.573 -4.026 955 H HIS 116 H HIS 116 -21.283 -14.652 -4.563 956 HA HIS 116 HA HIS 116 -22.774 -17.090 -4.836 957 HB2 HIS 116 2HB HIS 116 -20.655 -18.205 -5.345 958 HB3 HIS 116 3HB HIS 116 -20.752 -16.689 -6.220 959 HD1 HIS 116 HD1 HIS 116 -19.198 -14.729 -5.263 960 HD2 HIS 116 HD2 HIS 116 -18.394 -18.527 -3.817 961 HE1 HIS 116 HE1 HIS 116 -16.931 -14.577 -4.206 962 HE2 HIS 116 HE2 HIS 116 -16.569 -16.829 -3.156 963 H HIS 117 H HIS 117 -23.191 -18.638 -3.335 964 HA HIS 117 HA HIS 117 -23.751 -17.657 -0.857 965 HB2 HIS 117 2HB HIS 117 -24.975 -19.493 -1.970 966 HB3 HIS 117 3HB HIS 117 -23.646 -20.596 -1.635 967 HD1 HIS 117 HD1 HIS 117 -23.501 -21.576 0.730 968 HD2 HIS 117 HD2 HIS 117 -26.573 -18.816 0.288 969 HE1 HIS 117 HE1 HIS 117 -24.896 -21.783 2.806 970 HE2 HIS 117 HE2 HIS 117 -26.605 -19.949 2.610 971 H HIS 118 H HIS 118 -21.864 -16.820 0.034 972 HA HIS 118 HA HIS 118 -20.539 -18.547 1.992 973 HB2 HIS 118 2HB HIS 118 -19.053 -16.715 0.037 974 HB3 HIS 118 3HB HIS 118 -18.331 -17.286 1.533 975 HD1 HIS 118 HD1 HIS 118 -17.279 -19.580 1.511 976 HD2 HIS 118 HD2 HIS 118 -19.417 -18.777 -1.955 977 HE1 HIS 118 HE1 HIS 118 -16.635 -21.381 -0.114 978 HE2 HIS 118 HE2 HIS 118 -17.889 -20.835 -2.224 979 H HIS 119 H HIS 119 -18.910 -16.510 3.109 980 HA HIS 119 HA HIS 119 -20.374 -14.011 3.304 981 HB2 HIS 119 2HB HIS 119 -20.477 -14.117 5.851 982 HB3 HIS 119 3HB HIS 119 -21.615 -15.150 5.004 983 HD1 HIS 119 HD1 HIS 119 -21.471 -17.653 5.413 984 HD2 HIS 119 HD2 HIS 119 -18.399 -15.537 7.250 985 HE1 HIS 119 HE1 HIS 119 -20.328 -19.298 6.934 986 HE2 HIS 119 HE2 HIS 119 -18.625 -17.933 8.183 987 H HIS 120 H HIS 120 -18.110 -14.154 2.092 988 HA HIS 120 HA HIS 120 -16.186 -12.789 3.864 989 HB2 HIS 120 2HB HIS 120 -15.519 -15.126 2.016 990 HB3 HIS 120 3HB HIS 120 -14.291 -13.977 2.536 991 HD1 HIS 120 HD1 HIS 120 -13.484 -14.127 4.953 992 HD2 HIS 120 HD2 HIS 120 -16.413 -16.906 4.029 993 HE1 HIS 120 HE1 HIS 120 -13.528 -15.715 6.885 994 HE2 HIS 120 HE2 HIS 120 -15.085 -17.545 6.149 Start of MODEL 9 1 H1 MET 1 1H MET 1 20.860 -4.879 0.272 2 H2 MET 1 2H MET 1 22.136 -4.101 -0.511 3 H3 MET 1 3H MET 1 22.167 -5.776 -0.314 4 HA MET 1 HA MET 1 21.622 -5.212 -2.564 5 HB2 MET 1 2HB MET 1 19.259 -6.339 -0.986 6 HB3 MET 1 3HB MET 1 19.443 -6.468 -2.732 7 HG2 MET 1 2HG MET 1 21.299 -7.685 -0.674 8 HG3 MET 1 3HG MET 1 20.071 -8.546 -1.608 9 HE1 MET 1 3HE MET 1 23.495 -9.794 -3.144 10 HE2 MET 1 1HE MET 1 22.009 -10.284 -2.334 11 HE3 MET 1 2HE MET 1 23.226 -9.356 -1.457 12 H SER 2 H SER 2 19.992 -4.376 -4.062 13 HA SER 2 HA SER 2 19.025 -1.752 -3.439 14 HB2 SER 2 2HB SER 2 18.471 -3.532 -5.854 15 HB3 SER 2 3HB SER 2 18.141 -1.800 -5.761 16 HG SER 2 HG SER 2 20.161 -1.429 -6.204 17 H GLY 3 H GLY 3 17.657 -4.955 -3.415 18 HA2 GLY 3 2HA GLY 3 14.969 -3.977 -2.724 19 HA3 GLY 3 3HA GLY 3 15.437 -5.637 -3.058 20 H LYS 4 H LYS 4 14.255 -3.965 -0.675 21 HA LYS 4 HA LYS 4 15.813 -5.292 1.477 22 HB2 LYS 4 2HB LYS 4 16.125 -2.760 1.304 23 HB3 LYS 4 3HB LYS 4 14.411 -2.566 1.618 24 HG2 LYS 4 2HG LYS 4 16.257 -3.939 3.589 25 HG3 LYS 4 3HG LYS 4 16.068 -2.186 3.551 26 HD2 LYS 4 2HD LYS 4 13.610 -2.481 3.961 27 HD3 LYS 4 3HD LYS 4 13.869 -4.223 4.085 28 HE2 LYS 4 2HE LYS 4 15.073 -2.109 5.898 29 HE3 LYS 4 3HE LYS 4 13.746 -3.197 6.306 30 HZ1 LYS 4 3HZ LYS 4 16.497 -4.076 5.615 31 HZ2 LYS 4 1HZ LYS 4 15.231 -5.060 6.146 32 HZ3 LYS 4 2HZ LYS 4 15.904 -3.915 7.187 33 H LYS 5 H LYS 5 14.550 -6.601 2.755 34 HA LYS 5 HA LYS 5 11.803 -7.071 2.103 35 HB2 LYS 5 2HB LYS 5 13.320 -8.889 2.885 36 HB3 LYS 5 3HB LYS 5 13.416 -8.116 4.466 37 HG2 LYS 5 2HG LYS 5 10.895 -8.407 4.667 38 HG3 LYS 5 3HG LYS 5 10.951 -9.348 3.174 39 HD2 LYS 5 2HD LYS 5 10.938 -10.853 5.093 40 HD3 LYS 5 3HD LYS 5 12.496 -10.962 4.270 41 HE2 LYS 5 2HE LYS 5 13.490 -9.452 5.967 42 HE3 LYS 5 3HE LYS 5 11.933 -9.361 6.792 43 HZ1 LYS 5 3HZ LYS 5 13.450 -10.945 7.827 44 HZ2 LYS 5 1HZ LYS 5 13.502 -11.855 6.402 45 HZ3 LYS 5 2HZ LYS 5 12.051 -11.700 7.256 46 H VAL 6 H VAL 6 10.457 -5.486 2.561 47 HA VAL 6 HA VAL 6 10.507 -4.046 5.144 48 HB VAL 6 HB VAL 6 10.534 -2.561 3.210 49 HG11 VAL 6 1HG1 VAL 6 8.030 -3.961 2.191 50 HG12 VAL 6 2HG1 VAL 6 9.648 -4.127 1.511 51 HG13 VAL 6 3HG1 VAL 6 8.821 -2.568 1.440 52 HG21 VAL 6 3HG2 VAL 6 8.514 -1.217 3.563 53 HG22 VAL 6 1HG2 VAL 6 9.167 -1.799 5.096 54 HG23 VAL 6 2HG2 VAL 6 7.739 -2.568 4.392 55 H GLU 7 H GLU 7 8.603 -3.918 6.421 56 HA GLU 7 HA GLU 7 6.502 -5.935 5.899 57 HB2 GLU 7 2HB GLU 7 7.169 -4.428 8.461 58 HB3 GLU 7 3HB GLU 7 5.840 -5.569 8.277 59 HG2 GLU 7 2HG GLU 7 7.457 -7.381 7.791 60 HG3 GLU 7 3HG GLU 7 8.782 -6.230 7.980 61 H VAL 8 H VAL 8 4.848 -5.174 4.901 62 HA VAL 8 HA VAL 8 4.091 -2.333 4.941 63 HB VAL 8 HB VAL 8 3.447 -4.597 2.976 64 HG11 VAL 8 1HG1 VAL 8 2.659 -1.666 2.782 65 HG12 VAL 8 2HG1 VAL 8 1.563 -3.020 3.057 66 HG13 VAL 8 3HG1 VAL 8 2.424 -2.884 1.525 67 HG21 VAL 8 3HG2 VAL 8 5.237 -2.153 2.656 68 HG22 VAL 8 1HG2 VAL 8 4.912 -3.366 1.413 69 HG23 VAL 8 2HG2 VAL 8 5.790 -3.816 2.876 70 H GLN 9 H GLN 9 2.586 -1.938 6.455 71 HA GLN 9 HA GLN 9 0.658 -3.999 7.310 72 HB2 GLN 9 2HB GLN 9 1.328 -1.274 8.531 73 HB3 GLN 9 3HB GLN 9 0.275 -2.488 9.251 74 HG2 GLN 9 2HG GLN 9 2.172 -3.996 9.573 75 HG3 GLN 9 3HG GLN 9 3.245 -2.877 8.733 76 HE21 GLN 9 1HE2 GLN 9 3.520 -3.918 11.443 77 HE22 GLN 9 2HE2 GLN 9 3.505 -2.553 12.502 78 H VAL 10 H VAL 10 -1.030 -3.955 5.879 79 HA VAL 10 HA VAL 10 -2.051 -1.386 4.848 80 HB VAL 10 HB VAL 10 -2.681 -4.251 3.957 81 HG11 VAL 10 1HG1 VAL 10 -3.600 -1.616 2.733 82 HG12 VAL 10 2HG1 VAL 10 -4.618 -2.783 3.580 83 HG13 VAL 10 3HG1 VAL 10 -3.871 -3.221 2.044 84 HG21 VAL 10 3HG2 VAL 10 -0.385 -3.572 3.371 85 HG22 VAL 10 1HG2 VAL 10 -0.992 -2.106 2.595 86 HG23 VAL 10 2HG2 VAL 10 -1.380 -3.691 1.920 87 H LYS 11 H LYS 11 -3.538 -0.494 6.074 88 HA LYS 11 HA LYS 11 -5.493 -2.091 7.623 89 HB2 LYS 11 2HB LYS 11 -3.999 -0.523 8.894 90 HB3 LYS 11 3HB LYS 11 -4.570 0.813 7.902 91 HG2 LYS 11 2HG LYS 11 -6.915 0.286 8.798 92 HG3 LYS 11 3HG LYS 11 -6.125 -0.765 9.972 93 HD2 LYS 11 2HD LYS 11 -5.782 2.243 9.664 94 HD3 LYS 11 3HD LYS 11 -6.557 1.393 11.002 95 HE2 LYS 11 2HE LYS 11 -3.604 1.328 10.295 96 HE3 LYS 11 3HE LYS 11 -4.340 2.165 11.658 97 HZ1 LYS 11 3HZ LYS 11 -4.359 -0.779 11.270 98 HZ2 LYS 11 1HZ LYS 11 -4.982 0.056 12.593 99 HZ3 LYS 11 2HZ LYS 11 -3.323 0.062 12.301 100 H ILE 12 H ILE 12 -7.255 -2.335 6.211 101 HA ILE 12 HA ILE 12 -8.179 0.062 4.743 102 HB ILE 12 HB ILE 12 -7.525 -1.653 3.176 103 HG12 ILE 12 2HG1 ILE 12 -10.576 -1.509 3.300 104 HG13 ILE 12 3HG1 ILE 12 -9.532 -0.245 2.658 105 HG21 ILE 12 1HG2 ILE 12 -9.459 -3.574 4.517 106 HG22 ILE 12 2HG2 ILE 12 -7.699 -3.672 4.561 107 HG23 ILE 12 3HG2 ILE 12 -8.552 -3.890 3.032 108 HD11 ILE 12 3HD1 ILE 12 -10.512 -1.522 0.879 109 HD12 ILE 12 1HD1 ILE 12 -9.865 -3.022 1.544 110 HD13 ILE 12 2HD1 ILE 12 -8.770 -1.788 0.914 111 H THR 13 H THR 13 -9.969 0.961 5.419 112 HA THR 13 HA THR 13 -11.777 -0.399 7.280 113 HB THR 13 HB THR 13 -11.671 2.558 6.497 114 HG1 THR 13 HG1 THR 13 -9.815 1.448 7.742 115 HG21 THR 13 3HG2 THR 13 -13.018 2.912 8.540 116 HG22 THR 13 1HG2 THR 13 -13.062 1.169 8.828 117 HG23 THR 13 2HG2 THR 13 -13.869 1.855 7.415 118 H CYS 14 H CYS 14 -13.587 -1.249 6.525 119 HA CYS 14 HA CYS 14 -15.120 -0.193 4.276 120 HB2 CYS 14 2HB CYS 14 -13.536 -1.606 3.122 121 HB3 CYS 14 3HB CYS 14 -13.736 -2.904 4.292 122 H ASN 15 H ASN 15 -17.243 -0.528 4.607 123 HA ASN 15 HA ASN 15 -19.245 -1.124 5.450 124 HB2 ASN 15 2HB ASN 15 -18.310 -3.462 4.764 125 HB3 ASN 15 3HB ASN 15 -18.029 -3.727 6.482 126 HD21 ASN 15 1HD2 ASN 15 -19.858 -3.961 7.857 127 HD22 ASN 15 2HD2 ASN 15 -21.439 -4.285 7.238 128 H GLY 16 H GLY 16 -17.349 0.394 7.025 129 HA2 GLY 16 2HA GLY 16 -17.393 1.462 9.066 130 HA3 GLY 16 3HA GLY 16 -18.650 0.358 9.599 131 H LYS 17 H LYS 17 -16.127 -1.503 8.452 132 HA LYS 17 HA LYS 17 -15.005 -1.917 11.161 133 HB2 LYS 17 2HB LYS 17 -15.408 -3.932 8.899 134 HB3 LYS 17 3HB LYS 17 -14.579 -4.277 10.416 135 HG2 LYS 17 2HG LYS 17 -16.688 -3.813 11.657 136 HG3 LYS 17 3HG LYS 17 -17.503 -3.522 10.117 137 HD2 LYS 17 2HD LYS 17 -17.969 -5.796 10.939 138 HD3 LYS 17 3HD LYS 17 -17.067 -5.849 9.422 139 HE2 LYS 17 2HE LYS 17 -14.984 -6.291 10.676 140 HE3 LYS 17 3HE LYS 17 -15.880 -6.218 12.198 141 HZ1 LYS 17 3HZ LYS 17 -17.196 -8.117 11.445 142 HZ2 LYS 17 1HZ LYS 17 -15.551 -8.489 11.512 143 HZ3 LYS 17 2HZ LYS 17 -16.292 -8.202 10.023 144 H THR 18 H THR 18 -12.784 -2.805 11.185 145 HA THR 18 HA THR 18 -11.110 -1.796 8.955 146 HB THR 18 HB THR 18 -10.485 -1.976 11.943 147 HG1 THR 18 HG1 THR 18 -11.695 -0.113 10.571 148 HG21 THR 18 3HG2 THR 18 -8.327 -0.889 11.398 149 HG22 THR 18 1HG2 THR 18 -8.678 -1.042 9.676 150 HG23 THR 18 2HG2 THR 18 -8.433 -2.488 10.662 151 H TYR 19 H TYR 19 -10.206 -3.340 7.817 152 HA TYR 19 HA TYR 19 -9.549 -6.003 8.940 153 HB2 TYR 19 2HB TYR 19 -9.764 -5.300 5.967 154 HB3 TYR 19 3HB TYR 19 -9.762 -6.899 6.703 155 HD1 TYR 19 HD2 TYR 19 -11.789 -3.917 5.953 156 HD2 TYR 19 HD1 TYR 19 -11.851 -7.826 7.686 157 HE1 TYR 19 HE2 TYR 19 -14.233 -3.878 5.952 158 HE2 TYR 19 HE1 TYR 19 -14.320 -7.777 7.684 159 HH TYR 19 HH TYR 19 -16.103 -5.293 6.045 160 H GLU 20 H GLU 20 -7.344 -6.272 9.260 161 HA GLU 20 HA GLU 20 -5.462 -4.924 7.462 162 HB2 GLU 20 2HB GLU 20 -4.138 -3.959 9.297 163 HB3 GLU 20 3HB GLU 20 -5.760 -3.285 9.233 164 HG2 GLU 20 2HG GLU 20 -6.433 -4.704 11.144 165 HG3 GLU 20 3HG GLU 20 -4.805 -5.387 11.205 166 H ARG 21 H ARG 21 -3.270 -5.627 7.656 167 HA ARG 21 HA ARG 21 -2.534 -8.050 8.969 168 HB2 ARG 21 2HB ARG 21 -4.143 -8.974 7.307 169 HB3 ARG 21 3HB ARG 21 -3.260 -8.208 5.996 170 HG2 ARG 21 2HG ARG 21 -1.392 -9.699 6.277 171 HG3 ARG 21 3HG ARG 21 -2.049 -10.344 7.783 172 HD2 ARG 21 2HD ARG 21 -2.354 -11.870 5.822 173 HD3 ARG 21 3HD ARG 21 -3.878 -11.418 6.593 174 HE ARG 21 HE ARG 21 -3.524 -9.586 4.580 175 HH11 ARG 21 1HH1 ARG 21 -3.818 -13.111 4.645 176 HH12 ARG 21 2HH1 ARG 21 -4.504 -13.183 3.053 177 HH21 ARG 21 1HH2 ARG 21 -4.349 -9.730 2.495 178 HH22 ARG 21 2HH2 ARG 21 -4.802 -11.273 1.838 179 H THR 22 H THR 22 -0.340 -8.185 8.965 180 HA THR 22 HA THR 22 1.213 -6.156 7.528 181 HB THR 22 HB THR 22 2.084 -8.094 9.727 182 HG1 THR 22 HG1 THR 22 0.680 -5.760 9.795 183 HG21 THR 22 3HG2 THR 22 3.999 -7.315 8.361 184 HG22 THR 22 1HG2 THR 22 4.043 -6.584 9.968 185 HG23 THR 22 2HG2 THR 22 3.484 -5.642 8.583 186 H TYR 23 H TYR 23 2.143 -6.672 5.664 187 HA TYR 23 HA TYR 23 2.604 -9.472 4.849 188 HB2 TYR 23 2HB TYR 23 2.631 -6.912 3.160 189 HB3 TYR 23 3HB TYR 23 2.675 -8.568 2.553 190 HD1 TYR 23 HD2 TYR 23 0.621 -9.992 2.656 191 HD2 TYR 23 HD1 TYR 23 0.512 -5.894 3.856 192 HE1 TYR 23 HE2 TYR 23 -1.839 -10.024 2.566 193 HE2 TYR 23 HE1 TYR 23 -1.942 -5.928 3.776 194 HH TYR 23 HH TYR 23 -3.743 -7.158 2.734 195 H GLN 24 H GLN 24 4.674 -10.180 4.428 196 HA GLN 24 HA GLN 24 6.934 -8.279 4.832 197 HB2 GLN 24 2HB GLN 24 6.872 -11.339 4.964 198 HB3 GLN 24 3HB GLN 24 8.362 -10.414 4.915 199 HG2 GLN 24 2HG GLN 24 7.921 -11.068 7.193 200 HG3 GLN 24 3HG GLN 24 7.740 -9.319 7.063 201 HE21 GLN 24 1HE2 GLN 24 5.740 -8.408 7.503 202 HE22 GLN 24 2HE2 GLN 24 4.385 -9.308 8.085 203 H LEU 25 H LEU 25 7.508 -7.414 2.949 204 HA LEU 25 HA LEU 25 7.284 -8.961 0.441 205 HB2 LEU 25 2HB LEU 25 7.116 -5.939 0.842 206 HB3 LEU 25 3HB LEU 25 7.019 -6.765 -0.707 207 HG LEU 25 HG LEU 25 4.985 -6.875 1.560 208 HD11 LEU 25 1HD1 LEU 25 3.440 -5.870 -0.068 209 HD12 LEU 25 2HD1 LEU 25 4.739 -5.785 -1.262 210 HD13 LEU 25 3HD1 LEU 25 4.843 -4.844 0.228 211 HD21 LEU 25 3HD2 LEU 25 4.942 -8.470 -1.034 212 HD22 LEU 25 1HD2 LEU 25 3.598 -8.339 0.106 213 HD23 LEU 25 2HD2 LEU 25 5.098 -9.117 0.601 214 H TYR 26 H TYR 26 9.290 -9.842 0.360 215 HA TYR 26 HA TYR 26 11.685 -8.141 0.410 216 HB2 TYR 26 2HB TYR 26 11.969 -10.300 1.497 217 HB3 TYR 26 3HB TYR 26 11.331 -11.160 0.099 218 HD1 TYR 26 HD1 TYR 26 14.193 -8.889 1.081 219 HD2 TYR 26 HD2 TYR 26 12.873 -12.039 -1.503 220 HE1 TYR 26 HE1 TYR 26 16.454 -9.068 0.133 221 HE2 TYR 26 HE2 TYR 26 15.144 -12.218 -2.434 222 HH TYR 26 HH TYR 26 17.131 -10.877 -2.684 223 H ALA 27 H ALA 27 12.858 -7.643 -1.394 224 HA ALA 27 HA ALA 27 12.130 -8.697 -4.040 225 HB1 ALA 27 3HB ALA 27 12.104 -6.373 -4.957 226 HB2 ALA 27 1HB ALA 27 12.217 -5.738 -3.314 227 HB3 ALA 27 2HB ALA 27 10.791 -6.654 -3.815 228 H VAL 28 H VAL 28 13.787 -7.930 -5.673 229 HA VAL 28 HA VAL 28 16.507 -7.788 -4.509 230 HB VAL 28 HB VAL 28 15.704 -8.402 -7.402 231 HG11 VAL 28 1HG1 VAL 28 18.039 -9.179 -7.687 232 HG12 VAL 28 2HG1 VAL 28 18.413 -8.690 -6.033 233 HG13 VAL 28 3HG1 VAL 28 17.980 -7.474 -7.235 234 HG21 VAL 28 3HG2 VAL 28 14.900 -10.180 -5.898 235 HG22 VAL 28 1HG2 VAL 28 16.520 -10.360 -5.213 236 HG23 VAL 28 2HG2 VAL 28 16.222 -10.768 -6.905 237 H ARG 29 H ARG 29 14.174 -6.055 -6.476 238 HA ARG 29 HA ARG 29 15.883 -3.632 -6.460 239 HB2 ARG 29 2HB ARG 29 14.001 -4.476 -8.714 240 HB3 ARG 29 3HB ARG 29 14.926 -2.984 -8.654 241 HG2 ARG 29 2HG ARG 29 17.015 -4.231 -8.902 242 HG3 ARG 29 3HG ARG 29 16.133 -5.760 -8.842 243 HD2 ARG 29 2HD ARG 29 14.943 -5.180 -10.909 244 HD3 ARG 29 3HD ARG 29 15.756 -3.611 -10.955 245 HE ARG 29 HE ARG 29 17.599 -5.809 -10.948 246 HH11 ARG 29 1HH1 ARG 29 15.493 -3.901 -13.051 247 HH12 ARG 29 2HH1 ARG 29 16.417 -4.251 -14.479 248 HH21 ARG 29 1HH2 ARG 29 18.810 -6.210 -12.834 249 HH22 ARG 29 2HH2 ARG 29 18.285 -5.551 -14.351 250 H ASP 30 H ASP 30 14.430 -1.642 -6.886 251 HA ASP 30 HA ASP 30 12.217 -1.548 -5.060 252 HB2 ASP 30 2HB ASP 30 12.034 0.809 -5.672 253 HB3 ASP 30 3HB ASP 30 13.737 0.412 -5.476 254 H GLU 31 H GLU 31 12.593 -1.694 -8.578 255 HA GLU 31 HA GLU 31 9.918 -1.230 -9.368 256 HB2 GLU 31 2HB GLU 31 10.612 -2.156 -11.563 257 HB3 GLU 31 3HB GLU 31 11.784 -1.004 -10.939 258 HG2 GLU 31 2HG GLU 31 13.226 -2.863 -10.200 259 HG3 GLU 31 3HG GLU 31 12.058 -4.022 -10.824 260 H GLU 32 H GLU 32 11.522 -4.097 -8.186 261 HA GLU 32 HA GLU 32 9.699 -6.090 -9.073 262 HB2 GLU 32 2HB GLU 32 11.548 -6.110 -6.646 263 HB3 GLU 32 3HB GLU 32 10.760 -7.528 -7.331 264 HG2 GLU 32 2HG GLU 32 12.890 -5.825 -8.633 265 HG3 GLU 32 3HG GLU 32 13.081 -7.461 -8.015 266 H LEU 33 H LEU 33 9.761 -3.922 -6.330 267 HA LEU 33 HA LEU 33 7.873 -5.255 -4.670 268 HB2 LEU 33 2HB LEU 33 9.648 -3.139 -4.336 269 HB3 LEU 33 3HB LEU 33 8.120 -2.293 -4.342 270 HG LEU 33 HG LEU 33 8.775 -2.738 -2.047 271 HD11 LEU 33 1HD1 LEU 33 6.370 -2.874 -2.459 272 HD12 LEU 33 2HD1 LEU 33 6.857 -3.935 -1.140 273 HD13 LEU 33 3HD1 LEU 33 6.496 -4.615 -2.732 274 HD21 LEU 33 3HD2 LEU 33 9.137 -4.986 -1.123 275 HD22 LEU 33 1HD2 LEU 33 10.290 -4.636 -2.411 276 HD23 LEU 33 2HD2 LEU 33 8.918 -5.699 -2.724 277 H LYS 34 H LYS 34 7.505 -3.282 -7.509 278 HA LYS 34 HA LYS 34 5.018 -2.071 -7.155 279 HB2 LYS 34 2HB LYS 34 6.347 -3.116 -9.686 280 HB3 LYS 34 3HB LYS 34 4.779 -2.321 -9.710 281 HG2 LYS 34 2HG LYS 34 5.967 -0.342 -8.527 282 HG3 LYS 34 3HG LYS 34 7.472 -1.134 -9.012 283 HD2 LYS 34 2HD LYS 34 6.769 0.587 -10.660 284 HD3 LYS 34 3HD LYS 34 6.795 -1.026 -11.381 285 HE2 LYS 34 2HE LYS 34 4.328 -1.187 -11.060 286 HE3 LYS 34 3HE LYS 34 4.318 0.443 -10.393 287 HZ1 LYS 34 3HZ LYS 34 5.210 1.212 -12.556 288 HZ2 LYS 34 1HZ LYS 34 3.665 0.538 -12.655 289 HZ3 LYS 34 2HZ LYS 34 5.007 -0.349 -13.166 290 H GLU 35 H GLU 35 5.624 -5.169 -8.875 291 HA GLU 35 HA GLU 35 2.965 -5.870 -9.335 292 HB2 GLU 35 2HB GLU 35 3.759 -8.120 -9.856 293 HB3 GLU 35 3HB GLU 35 4.897 -6.936 -10.486 294 HG2 GLU 35 2HG GLU 35 6.463 -7.393 -8.686 295 HG3 GLU 35 3HG GLU 35 5.305 -8.458 -7.891 296 H LYS 36 H LYS 36 4.953 -6.350 -6.515 297 HA LYS 36 HA LYS 36 3.410 -8.307 -5.168 298 HB2 LYS 36 2HB LYS 36 5.314 -6.220 -3.999 299 HB3 LYS 36 3HB LYS 36 4.784 -7.704 -3.201 300 HG2 LYS 36 2HG LYS 36 5.904 -9.059 -4.924 301 HG3 LYS 36 3HG LYS 36 6.396 -7.590 -5.773 302 HD2 LYS 36 2HD LYS 36 7.749 -6.931 -3.770 303 HD3 LYS 36 3HD LYS 36 7.319 -8.467 -3.003 304 HE2 LYS 36 2HE LYS 36 8.840 -8.156 -5.620 305 HE3 LYS 36 3HE LYS 36 9.549 -8.557 -4.058 306 HZ1 LYS 36 3HZ LYS 36 8.240 -10.599 -4.041 307 HZ2 LYS 36 1HZ LYS 36 9.239 -10.526 -5.404 308 HZ3 LYS 36 2HZ LYS 36 7.586 -10.211 -5.547 309 H LEU 37 H LEU 37 3.579 -4.756 -4.889 310 HA LEU 37 HA LEU 37 1.537 -4.393 -2.984 311 HB2 LEU 37 2HB LEU 37 2.597 -2.505 -5.123 312 HB3 LEU 37 3HB LEU 37 1.482 -2.010 -3.856 313 HG LEU 37 HG LEU 37 4.273 -3.118 -3.355 314 HD11 LEU 37 1HD1 LEU 37 3.306 -0.248 -3.243 315 HD12 LEU 37 2HD1 LEU 37 4.373 -0.942 -4.464 316 HD13 LEU 37 3HD1 LEU 37 4.911 -0.824 -2.791 317 HD21 LEU 37 3HD2 LEU 37 3.927 -2.385 -1.030 318 HD22 LEU 37 1HD2 LEU 37 2.726 -3.587 -1.500 319 HD23 LEU 37 2HD2 LEU 37 2.280 -1.881 -1.415 320 H LYS 38 H LYS 38 1.371 -4.195 -6.592 321 HA LYS 38 HA LYS 38 -1.330 -3.538 -6.837 322 HB2 LYS 38 2HB LYS 38 0.455 -5.107 -8.758 323 HB3 LYS 38 3HB LYS 38 -1.101 -4.395 -9.188 324 HG2 LYS 38 2HG LYS 38 -0.231 -2.145 -8.743 325 HG3 LYS 38 3HG LYS 38 1.304 -2.827 -8.205 326 HD2 LYS 38 2HD LYS 38 1.552 -1.971 -10.471 327 HD3 LYS 38 3HD LYS 38 1.690 -3.730 -10.493 328 HE2 LYS 38 2HE LYS 38 -0.642 -3.904 -11.295 329 HE3 LYS 38 3HE LYS 38 -0.793 -2.144 -11.252 330 HZ1 LYS 38 3HZ LYS 38 -0.314 -2.857 -13.474 331 HZ2 LYS 38 1HZ LYS 38 1.056 -3.710 -12.967 332 HZ3 LYS 38 2HZ LYS 38 1.030 -2.026 -12.873 333 H LYS 39 H LYS 39 0.228 -6.750 -6.701 334 HA LYS 39 HA LYS 39 -2.148 -8.273 -6.996 335 HB2 LYS 39 2HB LYS 39 0.570 -8.981 -5.822 336 HB3 LYS 39 3HB LYS 39 -0.744 -10.151 -5.900 337 HG2 LYS 39 2HG LYS 39 0.528 -8.751 -8.277 338 HG3 LYS 39 3HG LYS 39 0.830 -10.414 -7.783 339 HD2 LYS 39 2HD LYS 39 -1.845 -9.314 -8.753 340 HD3 LYS 39 3HD LYS 39 -0.720 -10.278 -9.712 341 HE2 LYS 39 2HE LYS 39 -1.035 -12.198 -8.253 342 HE3 LYS 39 3HE LYS 39 -2.032 -11.247 -7.152 343 HZ1 LYS 39 3HZ LYS 39 -2.723 -11.946 -9.957 344 HZ2 LYS 39 1HZ LYS 39 -3.672 -10.998 -8.922 345 HZ3 LYS 39 2HZ LYS 39 -3.390 -12.624 -8.563 346 H VAL 40 H VAL 40 -0.343 -7.336 -4.024 347 HA VAL 40 HA VAL 40 -1.997 -8.566 -2.138 348 HB VAL 40 HB VAL 40 -0.129 -6.159 -1.933 349 HG11 VAL 40 1HG1 VAL 40 -0.369 -6.183 0.535 350 HG12 VAL 40 2HG1 VAL 40 -1.707 -7.326 0.389 351 HG13 VAL 40 3HG1 VAL 40 -1.864 -5.697 -0.270 352 HG21 VAL 40 3HG2 VAL 40 0.031 -8.976 -0.775 353 HG22 VAL 40 1HG2 VAL 40 1.263 -7.719 -0.591 354 HG23 VAL 40 2HG2 VAL 40 0.911 -8.385 -2.184 355 H LEU 41 H LEU 41 -2.257 -5.312 -3.554 356 HA LEU 41 HA LEU 41 -4.452 -4.466 -1.944 357 HB2 LEU 41 2HB LEU 41 -3.260 -3.365 -4.517 358 HB3 LEU 41 3HB LEU 41 -4.629 -2.605 -3.716 359 HG LEU 41 HG LEU 41 -1.930 -3.041 -2.362 360 HD11 LEU 41 1HD1 LEU 41 -2.964 -0.493 -3.642 361 HD12 LEU 41 2HD1 LEU 41 -1.661 -1.513 -4.257 362 HD13 LEU 41 3HD1 LEU 41 -1.463 -0.671 -2.723 363 HD21 LEU 41 3HD2 LEU 41 -4.296 -1.320 -1.530 364 HD22 LEU 41 1HD2 LEU 41 -2.752 -1.444 -0.684 365 HD23 LEU 41 2HD2 LEU 41 -3.811 -2.847 -0.785 366 H ASN 42 H ASN 42 -4.301 -5.591 -5.386 367 HA ASN 42 HA ASN 42 -7.081 -5.408 -5.852 368 HB2 ASN 42 2HB ASN 42 -4.894 -6.941 -7.309 369 HB3 ASN 42 3HB ASN 42 -6.572 -6.972 -7.854 370 HD21 ASN 42 1HD2 ASN 42 -4.166 -5.873 -9.157 371 HD22 ASN 42 2HD2 ASN 42 -4.546 -4.231 -9.507 372 H GLU 43 H GLU 43 -5.144 -8.223 -4.809 373 HA GLU 43 HA GLU 43 -7.275 -10.100 -4.930 374 HB2 GLU 43 2HB GLU 43 -4.749 -10.228 -3.227 375 HB3 GLU 43 3HB GLU 43 -5.841 -11.566 -3.513 376 HG2 GLU 43 2HG GLU 43 -3.882 -10.284 -5.408 377 HG3 GLU 43 3HG GLU 43 -4.017 -11.975 -4.939 378 H ARG 44 H ARG 44 -5.939 -8.126 -2.252 379 HA ARG 44 HA ARG 44 -7.631 -9.229 -0.234 380 HB2 ARG 44 2HB ARG 44 -5.436 -8.103 0.262 381 HB3 ARG 44 3HB ARG 44 -6.155 -6.552 -0.159 382 HG2 ARG 44 2HG ARG 44 -6.077 -6.871 2.285 383 HG3 ARG 44 3HG ARG 44 -7.745 -6.757 1.716 384 HD2 ARG 44 2HD ARG 44 -7.764 -9.329 1.700 385 HD3 ARG 44 3HD ARG 44 -6.236 -9.245 2.576 386 HE ARG 44 HE ARG 44 -7.355 -8.327 4.427 387 HH11 ARG 44 1HH1 ARG 44 -9.626 -9.147 1.867 388 HH12 ARG 44 2HH1 ARG 44 -11.000 -9.141 2.932 389 HH21 ARG 44 1HH2 ARG 44 -9.140 -8.384 5.802 390 HH22 ARG 44 2HH2 ARG 44 -10.719 -8.708 5.161 391 H MET 45 H MET 45 -7.914 -6.467 -2.388 392 HA MET 45 HA MET 45 -10.244 -5.399 -1.004 393 HB2 MET 45 2HB MET 45 -8.772 -4.436 -3.477 394 HB3 MET 45 3HB MET 45 -10.221 -3.664 -2.846 395 HG2 MET 45 2HG MET 45 -8.958 -3.390 -0.646 396 HG3 MET 45 3HG MET 45 -7.512 -3.858 -1.540 397 HE1 MET 45 3HE MET 45 -10.473 -1.245 -1.322 398 HE2 MET 45 1HE MET 45 -10.554 -1.798 -2.996 399 HE3 MET 45 2HE MET 45 -10.043 -0.149 -2.635 400 H ASP 46 H ASP 46 -9.834 -7.779 -3.356 401 HA ASP 46 HA ASP 46 -12.035 -7.309 -5.033 402 HB2 ASP 46 2HB ASP 46 -10.250 -8.970 -5.542 403 HB3 ASP 46 3HB ASP 46 -10.867 -10.024 -4.269 404 HA PRO 47 HA PRO 47 -14.891 -9.663 -1.775 405 HB2 PRO 47 2HB PRO 47 -13.957 -9.906 0.797 406 HB3 PRO 47 3HB PRO 47 -13.716 -11.164 -0.435 407 HG2 PRO 47 2HG PRO 47 -11.811 -8.991 0.418 408 HG3 PRO 47 3HG PRO 47 -11.503 -10.735 0.231 409 HD2 PRO 47 2HD PRO 47 -10.804 -9.009 -1.697 410 HD3 PRO 47 3HD PRO 47 -11.476 -10.609 -2.115 411 H ILE 48 H ILE 48 -12.815 -6.941 -1.030 412 HA ILE 48 HA ILE 48 -14.594 -5.556 0.770 413 HB ILE 48 HB ILE 48 -12.192 -4.631 -0.865 414 HG12 ILE 48 2HG1 ILE 48 -11.609 -6.293 0.857 415 HG13 ILE 48 3HG1 ILE 48 -10.943 -4.723 1.280 416 HG21 ILE 48 1HG2 ILE 48 -13.598 -3.054 1.300 417 HG22 ILE 48 2HG2 ILE 48 -13.594 -2.681 -0.422 418 HG23 ILE 48 3HG2 ILE 48 -12.096 -2.603 0.500 419 HD11 ILE 48 3HD1 ILE 48 -11.789 -5.865 3.231 420 HD12 ILE 48 1HD1 ILE 48 -13.387 -6.009 2.500 421 HD13 ILE 48 2HD1 ILE 48 -12.747 -4.418 2.924 422 H LYS 49 H LYS 49 -14.032 -5.566 -2.736 423 HA LYS 49 HA LYS 49 -15.880 -3.487 -3.436 424 HB2 LYS 49 2HB LYS 49 -14.725 -5.799 -5.059 425 HB3 LYS 49 3HB LYS 49 -15.589 -4.419 -5.732 426 HG2 LYS 49 2HG LYS 49 -13.826 -2.934 -5.342 427 HG3 LYS 49 3HG LYS 49 -13.127 -3.934 -4.075 428 HD2 LYS 49 2HD LYS 49 -11.663 -3.985 -5.993 429 HD3 LYS 49 3HD LYS 49 -12.389 -5.577 -5.798 430 HE2 LYS 49 2HE LYS 49 -13.453 -3.531 -7.747 431 HE3 LYS 49 3HE LYS 49 -12.187 -4.674 -8.172 432 HZ1 LYS 49 3HZ LYS 49 -14.270 -5.522 -8.892 433 HZ2 LYS 49 1HZ LYS 49 -14.972 -5.320 -7.371 434 HZ3 LYS 49 2HZ LYS 49 -13.759 -6.476 -7.597 435 H LYS 50 H LYS 50 -15.981 -6.994 -3.035 436 HA LYS 50 HA LYS 50 -18.639 -7.516 -3.794 437 HB2 LYS 50 2HB LYS 50 -16.809 -9.190 -3.516 438 HB3 LYS 50 3HB LYS 50 -16.856 -8.968 -1.780 439 HG2 LYS 50 2HG LYS 50 -19.322 -9.914 -3.245 440 HG3 LYS 50 3HG LYS 50 -18.019 -11.049 -2.919 441 HD2 LYS 50 2HD LYS 50 -19.591 -9.482 -0.832 442 HD3 LYS 50 3HD LYS 50 -19.774 -11.198 -1.204 443 HE2 LYS 50 2HE LYS 50 -17.388 -11.549 -0.496 444 HE3 LYS 50 3HE LYS 50 -17.325 -9.856 -0.003 445 HZ1 LYS 50 3HZ LYS 50 -19.167 -11.913 1.103 446 HZ2 LYS 50 1HZ LYS 50 -19.089 -10.296 1.592 447 HZ3 LYS 50 2HZ LYS 50 -17.778 -11.326 1.863 448 H LEU 51 H LEU 51 -17.273 -6.169 -0.836 449 HA LEU 51 HA LEU 51 -19.746 -6.255 0.682 450 HB2 LEU 51 2HB LEU 51 -17.209 -4.617 1.113 451 HB3 LEU 51 3HB LEU 51 -18.593 -4.579 2.196 452 HG LEU 51 HG LEU 51 -16.774 -6.958 1.669 453 HD11 LEU 51 1HD1 LEU 51 -15.763 -5.288 3.125 454 HD12 LEU 51 2HD1 LEU 51 -16.166 -6.731 4.047 455 HD13 LEU 51 3HD1 LEU 51 -17.182 -5.292 4.177 456 HD21 LEU 51 3HD2 LEU 51 -19.056 -7.770 1.922 457 HD22 LEU 51 1HD2 LEU 51 -19.259 -6.841 3.411 458 HD23 LEU 51 2HD2 LEU 51 -18.109 -8.181 3.348 459 H GLY 52 H GLY 52 -18.073 -3.998 -1.448 460 HA2 GLY 52 2HA GLY 52 -18.955 -2.335 -2.793 461 HA3 GLY 52 3HA GLY 52 -20.539 -2.609 -2.080 462 H CYS 53 H CYS 53 -17.572 -1.930 -0.304 463 HA CYS 53 HA CYS 53 -18.679 0.275 1.134 464 HB2 CYS 53 2HB CYS 53 -15.804 -0.682 0.885 465 HB3 CYS 53 3HB CYS 53 -16.390 0.492 2.067 466 H LYS 54 H LYS 54 -19.209 2.015 -0.007 467 HA LYS 54 HA LYS 54 -18.365 2.707 -2.566 468 HB2 LYS 54 2HB LYS 54 -19.664 4.487 -0.468 469 HB3 LYS 54 3HB LYS 54 -19.645 4.808 -2.203 470 HG2 LYS 54 2HG LYS 54 -21.048 2.877 -2.644 471 HG3 LYS 54 3HG LYS 54 -20.936 2.346 -0.964 472 HD2 LYS 54 2HD LYS 54 -22.299 4.903 -1.929 473 HD3 LYS 54 3HD LYS 54 -23.119 3.417 -1.437 474 HE2 LYS 54 2HE LYS 54 -22.197 3.660 0.843 475 HE3 LYS 54 3HE LYS 54 -21.376 5.145 0.356 476 HZ1 LYS 54 3HZ LYS 54 -24.311 4.695 0.451 477 HZ2 LYS 54 1HZ LYS 54 -23.576 6.104 -0.132 478 HZ3 LYS 54 2HZ LYS 54 -23.409 5.671 1.490 479 H ARG 55 H ARG 55 -17.212 3.899 0.544 480 HA ARG 55 HA ARG 55 -14.798 4.930 -0.833 481 HB2 ARG 55 2HB ARG 55 -16.044 6.831 0.204 482 HB3 ARG 55 3HB ARG 55 -16.023 6.001 1.759 483 HG2 ARG 55 2HG ARG 55 -13.428 6.083 1.558 484 HG3 ARG 55 3HG ARG 55 -13.694 7.259 0.267 485 HD2 ARG 55 2HD ARG 55 -13.273 8.372 2.408 486 HD3 ARG 55 3HD ARG 55 -14.917 8.715 1.858 487 HE ARG 55 HE ARG 55 -15.552 6.795 3.415 488 HH11 ARG 55 1HH1 ARG 55 -12.823 8.914 4.117 489 HH12 ARG 55 2HH1 ARG 55 -12.955 8.693 5.834 490 HH21 ARG 55 1HH2 ARG 55 -15.728 6.547 5.641 491 HH22 ARG 55 2HH2 ARG 55 -14.606 7.349 6.694 492 H VAL 56 H VAL 56 -12.924 4.023 -0.124 493 HA VAL 56 HA VAL 56 -12.917 2.386 2.360 494 HB VAL 56 HB VAL 56 -11.109 0.993 1.263 495 HG11 VAL 56 1HG1 VAL 56 -12.635 -0.348 -0.139 496 HG12 VAL 56 2HG1 VAL 56 -13.785 0.992 -0.192 497 HG13 VAL 56 3HG1 VAL 56 -13.432 0.189 1.341 498 HG21 VAL 56 3HG2 VAL 56 -11.898 2.502 -1.274 499 HG22 VAL 56 1HG2 VAL 56 -10.837 1.091 -1.213 500 HG23 VAL 56 2HG2 VAL 56 -10.342 2.598 -0.445 501 H ARG 57 H ARG 57 -11.388 2.953 3.850 502 HA ARG 57 HA ARG 57 -9.311 4.935 3.118 503 HB2 ARG 57 2HB ARG 57 -10.638 5.525 5.113 504 HB3 ARG 57 3HB ARG 57 -10.285 3.965 5.852 505 HG2 ARG 57 2HG ARG 57 -7.838 4.591 5.812 506 HG3 ARG 57 3HG ARG 57 -8.315 6.199 5.278 507 HD2 ARG 57 2HD ARG 57 -9.460 6.604 7.391 508 HD3 ARG 57 3HD ARG 57 -9.173 4.930 7.903 509 HE ARG 57 HE ARG 57 -6.686 5.864 7.343 510 HH11 ARG 57 1HH1 ARG 57 -9.188 7.018 9.537 511 HH12 ARG 57 2HH1 ARG 57 -8.046 7.712 10.644 512 HH21 ARG 57 1HH2 ARG 57 -5.227 6.753 8.780 513 HH22 ARG 57 2HH2 ARG 57 -5.790 7.555 10.208 514 H ILE 58 H ILE 58 -7.534 3.885 2.343 515 HA ILE 58 HA ILE 58 -6.586 1.394 3.648 516 HB ILE 58 HB ILE 58 -5.615 2.613 1.009 517 HG12 ILE 58 2HG1 ILE 58 -7.647 0.347 1.330 518 HG13 ILE 58 3HG1 ILE 58 -8.055 1.998 0.877 519 HG21 ILE 58 1HG2 ILE 58 -5.238 -0.188 2.154 520 HG22 ILE 58 2HG2 ILE 58 -4.008 1.074 2.078 521 HG23 ILE 58 3HG2 ILE 58 -4.642 0.375 0.589 522 HD11 ILE 58 3HD1 ILE 58 -8.008 0.573 -1.055 523 HD12 ILE 58 1HD1 ILE 58 -6.345 0.094 -0.715 524 HD13 ILE 58 2HD1 ILE 58 -6.713 1.764 -1.158 525 H SER 59 H SER 59 -5.314 2.083 5.380 526 HA SER 59 HA SER 59 -3.295 4.181 5.028 527 HB2 SER 59 2HB SER 59 -4.314 2.791 7.558 528 HB3 SER 59 3HB SER 59 -3.123 4.097 7.517 529 HG SER 59 HG SER 59 -4.792 5.363 6.449 530 H ILE 60 H ILE 60 -1.607 3.254 4.040 531 HA ILE 60 HA ILE 60 -0.582 0.611 4.828 532 HB ILE 60 HB ILE 60 0.176 2.480 2.525 533 HG12 ILE 60 2HG1 ILE 60 -1.409 -0.135 2.474 534 HG13 ILE 60 3HG1 ILE 60 -2.086 1.476 2.273 535 HG21 ILE 60 1HG2 ILE 60 2.120 1.137 3.201 536 HG22 ILE 60 2HG2 ILE 60 1.528 0.620 1.624 537 HG23 ILE 60 3HG2 ILE 60 1.170 -0.345 3.058 538 HD11 ILE 60 3HD1 ILE 60 -0.798 1.743 0.195 539 HD12 ILE 60 1HD1 ILE 60 -1.899 0.366 0.152 540 HD13 ILE 60 2HD1 ILE 60 -0.173 0.102 0.390 541 H ARG 61 H ARG 61 0.721 0.798 6.627 542 HA ARG 61 HA ARG 61 2.665 2.999 6.804 543 HB2 ARG 61 2HB ARG 61 1.452 2.233 8.902 544 HB3 ARG 61 3HB ARG 61 2.268 0.674 8.764 545 HG2 ARG 61 2HG ARG 61 4.469 1.850 8.937 546 HG3 ARG 61 3HG ARG 61 3.613 3.377 9.126 547 HD2 ARG 61 2HD ARG 61 2.591 2.478 11.238 548 HD3 ARG 61 3HD ARG 61 3.604 1.034 11.060 549 HE ARG 61 HE ARG 61 5.044 3.545 10.961 550 HH11 ARG 61 1HH1 ARG 61 3.918 1.029 13.155 551 HH12 ARG 61 2HH1 ARG 61 5.087 1.424 14.379 552 HH21 ARG 61 1HH2 ARG 61 6.544 4.061 12.554 553 HH22 ARG 61 2HH2 ARG 61 6.575 3.146 14.036 554 H VAL 62 H VAL 62 4.744 2.737 6.275 555 HA VAL 62 HA VAL 62 5.702 0.148 5.252 556 HB VAL 62 HB VAL 62 5.983 2.388 3.958 557 HG11 VAL 62 1HG1 VAL 62 8.203 2.884 5.955 558 HG12 VAL 62 2HG1 VAL 62 6.693 3.796 5.859 559 HG13 VAL 62 3HG1 VAL 62 7.842 3.853 4.521 560 HG21 VAL 62 3HG2 VAL 62 7.232 0.387 3.324 561 HG22 VAL 62 1HG2 VAL 62 8.497 0.782 4.491 562 HG23 VAL 62 2HG2 VAL 62 8.218 1.833 3.097 563 H LYS 63 H LYS 63 7.564 -0.860 6.239 564 HA LYS 63 HA LYS 63 7.885 -0.310 9.071 565 HB2 LYS 63 2HB LYS 63 7.850 -2.646 7.888 566 HB3 LYS 63 3HB LYS 63 9.529 -2.336 7.493 567 HG2 LYS 63 2HG LYS 63 8.458 -2.344 10.337 568 HG3 LYS 63 3HG LYS 63 9.085 -3.787 9.543 569 HD2 LYS 63 2HD LYS 63 11.305 -2.774 9.362 570 HD3 LYS 63 3HD LYS 63 10.702 -1.246 10.005 571 HE2 LYS 63 2HE LYS 63 10.804 -3.878 11.525 572 HE3 LYS 63 3HE LYS 63 11.939 -2.537 11.712 573 HZ1 LYS 63 3HZ LYS 63 10.034 -1.144 12.393 574 HZ2 LYS 63 1HZ LYS 63 10.315 -2.439 13.434 575 HZ3 LYS 63 2HZ LYS 63 9.039 -2.509 12.339 576 H HIS 64 H HIS 64 9.412 0.883 9.929 577 HA HIS 64 HA HIS 64 11.436 2.198 8.268 578 HB2 HIS 64 2HB HIS 64 10.295 2.816 11.035 579 HB3 HIS 64 3HB HIS 64 11.662 3.686 10.347 580 HD1 HIS 64 HD1 HIS 64 10.365 5.905 10.353 581 HD2 HIS 64 HD2 HIS 64 8.581 2.948 8.036 582 HE1 HIS 64 HE1 HIS 64 8.690 7.095 8.907 583 HE2 HIS 64 HE2 HIS 64 7.458 5.245 7.734 584 H SER 65 H SER 65 13.220 1.006 8.142 585 HA SER 65 HA SER 65 14.099 -0.978 9.940 586 HB2 SER 65 2HB SER 65 16.240 -0.788 8.516 587 HB3 SER 65 3HB SER 65 14.744 -1.121 7.639 588 HG SER 65 HG SER 65 15.953 0.556 6.647 589 H ASP 66 H ASP 66 15.096 2.369 9.435 590 HA ASP 66 HA ASP 66 15.998 2.781 12.128 591 HB2 ASP 66 2HB ASP 66 18.009 1.639 11.339 592 HB3 ASP 66 3HB ASP 66 18.064 2.618 9.883 593 H ALA 67 H ALA 67 16.623 5.106 12.439 594 HA ALA 67 HA ALA 67 14.736 6.788 11.197 595 HB1 ALA 67 3HB ALA 67 17.114 7.605 12.903 596 HB2 ALA 67 1HB ALA 67 15.523 7.130 13.495 597 HB3 ALA 67 2HB ALA 67 15.699 8.601 12.539 598 H ALA 68 H ALA 68 18.091 6.183 10.369 599 HA ALA 68 HA ALA 68 18.290 8.416 8.486 600 HB1 ALA 68 3HB ALA 68 20.294 7.717 9.739 601 HB2 ALA 68 1HB ALA 68 20.545 7.516 8.006 602 HB3 ALA 68 2HB ALA 68 20.207 6.108 9.020 603 H GLU 69 H GLU 69 18.005 4.878 8.420 604 HA GLU 69 HA GLU 69 18.302 4.534 5.606 605 HB2 GLU 69 2HB GLU 69 17.042 2.620 7.614 606 HB3 GLU 69 3HB GLU 69 17.659 2.201 6.022 607 HG2 GLU 69 2HG GLU 69 19.314 3.178 8.366 608 HG3 GLU 69 3HG GLU 69 19.183 1.509 7.819 609 H GLU 70 H GLU 70 15.540 5.170 7.644 610 HA GLU 70 HA GLU 70 13.453 4.201 5.966 611 HB2 GLU 70 2HB GLU 70 11.920 5.497 7.401 612 HB3 GLU 70 3HB GLU 70 13.097 4.633 8.388 613 HG2 GLU 70 2HG GLU 70 14.346 6.649 8.819 614 HG3 GLU 70 3HG GLU 70 13.429 7.543 7.614 615 H LYS 71 H LYS 71 15.317 7.167 6.000 616 HA LYS 71 HA LYS 71 13.457 8.851 4.642 617 HB2 LYS 71 2HB LYS 71 16.491 9.144 4.701 618 HB3 LYS 71 3HB LYS 71 15.321 10.410 4.337 619 HG2 LYS 71 2HG LYS 71 15.779 9.052 7.008 620 HG3 LYS 71 3HG LYS 71 16.147 10.727 6.589 621 HD2 LYS 71 2HD LYS 71 13.712 11.188 6.341 622 HD3 LYS 71 3HD LYS 71 13.354 9.508 6.750 623 HE2 LYS 71 2HE LYS 71 14.479 9.899 8.984 624 HE3 LYS 71 3HE LYS 71 14.589 11.610 8.564 625 HZ1 LYS 71 3HZ LYS 71 12.645 11.094 9.934 626 HZ2 LYS 71 1HZ LYS 71 12.058 10.054 8.737 627 HZ3 LYS 71 2HZ LYS 71 12.193 11.712 8.430 628 H LYS 72 H LYS 72 15.978 6.631 3.595 629 HA LYS 72 HA LYS 72 15.715 7.149 0.782 630 HB2 LYS 72 2HB LYS 72 17.766 6.111 1.760 631 HB3 LYS 72 3HB LYS 72 16.840 4.686 2.212 632 HG2 LYS 72 2HG LYS 72 18.198 4.333 0.165 633 HG3 LYS 72 3HG LYS 72 16.473 4.119 -0.130 634 HD2 LYS 72 2HD LYS 72 17.405 5.316 -2.006 635 HD3 LYS 72 3HD LYS 72 16.401 6.443 -1.102 636 HE2 LYS 72 2HE LYS 72 19.435 6.314 -0.837 637 HE3 LYS 72 3HE LYS 72 18.599 7.390 -1.952 638 HZ1 LYS 72 3HZ LYS 72 19.128 8.611 -0.006 639 HZ2 LYS 72 1HZ LYS 72 18.465 7.435 1.015 640 HZ3 LYS 72 2HZ LYS 72 17.459 8.354 0.020 641 H GLU 73 H GLU 73 14.588 4.530 2.950 642 HA GLU 73 HA GLU 73 13.418 2.998 0.878 643 HB2 GLU 73 2HB GLU 73 13.193 2.768 3.908 644 HB3 GLU 73 3HB GLU 73 12.493 1.602 2.791 645 HG2 GLU 73 2HG GLU 73 15.435 2.253 3.098 646 HG3 GLU 73 3HG GLU 73 14.622 0.774 3.618 647 H ALA 74 H ALA 74 12.007 5.442 2.997 648 HA ALA 74 HA ALA 74 9.263 4.659 2.493 649 HB1 ALA 74 3HB ALA 74 9.857 5.736 4.624 650 HB2 ALA 74 1HB ALA 74 8.639 6.670 3.758 651 HB3 ALA 74 2HB ALA 74 10.322 7.209 3.770 652 H LYS 75 H LYS 75 11.414 7.296 1.415 653 HA LYS 75 HA LYS 75 9.597 8.555 -0.375 654 HB2 LYS 75 2HB LYS 75 11.690 9.610 0.570 655 HB3 LYS 75 3HB LYS 75 12.652 8.577 -0.479 656 HG2 LYS 75 2HG LYS 75 12.466 10.824 -1.425 657 HG3 LYS 75 3HG LYS 75 11.648 9.658 -2.471 658 HD2 LYS 75 2HD LYS 75 9.463 10.337 -1.504 659 HD3 LYS 75 3HD LYS 75 10.284 11.506 -0.467 660 HE2 LYS 75 2HE LYS 75 11.047 12.742 -2.464 661 HE3 LYS 75 3HE LYS 75 10.250 11.556 -3.505 662 HZ1 LYS 75 3HZ LYS 75 8.911 13.351 -1.550 663 HZ2 LYS 75 1HZ LYS 75 8.127 12.161 -2.458 664 HZ3 LYS 75 2HZ LYS 75 8.851 13.477 -3.234 665 H LYS 76 H LYS 76 12.040 6.080 -0.820 666 HA LYS 76 HA LYS 76 11.913 5.512 -3.565 667 HB2 LYS 76 2HB LYS 76 13.674 4.592 -2.239 668 HB3 LYS 76 3HB LYS 76 12.561 3.918 -1.065 669 HG2 LYS 76 2HG LYS 76 11.876 2.211 -2.777 670 HG3 LYS 76 3HG LYS 76 13.134 2.848 -3.850 671 HD2 LYS 76 2HD LYS 76 14.874 2.301 -2.221 672 HD3 LYS 76 3HD LYS 76 13.665 1.825 -1.027 673 HE2 LYS 76 2HE LYS 76 13.005 -0.070 -2.484 674 HE3 LYS 76 3HE LYS 76 14.263 0.401 -3.635 675 HZ1 LYS 76 3HZ LYS 76 14.808 -0.258 -0.792 676 HZ2 LYS 76 1HZ LYS 76 15.938 -0.026 -2.030 677 HZ3 LYS 76 2HZ LYS 76 14.924 -1.373 -2.059 678 H PHE 77 H PHE 77 10.117 4.145 -0.817 679 HA PHE 77 HA PHE 77 8.511 2.319 -2.313 680 HB2 PHE 77 2HB PHE 77 9.151 2.095 0.123 681 HB3 PHE 77 3HB PHE 77 8.061 3.418 0.504 682 HD1 PHE 77 HD1 PHE 77 8.033 0.089 -1.252 683 HD2 PHE 77 HD2 PHE 77 5.918 2.813 1.281 684 HE1 PHE 77 HE1 PHE 77 6.242 -1.556 -0.957 685 HE2 PHE 77 HE2 PHE 77 4.128 1.149 1.571 686 HZ PHE 77 HZ PHE 77 4.294 -1.036 0.459 687 H ALA 78 H ALA 78 8.199 5.657 -1.332 688 HA ALA 78 HA ALA 78 5.408 6.044 -1.689 689 HB1 ALA 78 3HB ALA 78 6.812 7.623 -0.427 690 HB2 ALA 78 1HB ALA 78 5.955 8.447 -1.729 691 HB3 ALA 78 2HB ALA 78 7.672 8.066 -1.903 692 H ALA 79 H ALA 79 8.232 6.502 -3.828 693 HA ALA 79 HA ALA 79 6.901 7.407 -6.142 694 HB1 ALA 79 3HB ALA 79 9.508 5.851 -5.915 695 HB2 ALA 79 1HB ALA 79 9.338 7.603 -5.817 696 HB3 ALA 79 2HB ALA 79 8.975 6.767 -7.329 697 H ILE 80 H ILE 80 7.781 4.133 -5.037 698 HA ILE 80 HA ILE 80 6.798 2.628 -7.217 699 HB ILE 80 HB ILE 80 7.055 1.808 -4.278 700 HG12 ILE 80 2HG1 ILE 80 9.198 2.526 -5.239 701 HG13 ILE 80 3HG1 ILE 80 9.220 0.787 -4.987 702 HG21 ILE 80 1HG2 ILE 80 7.096 -0.540 -5.065 703 HG22 ILE 80 2HG2 ILE 80 6.755 -0.000 -6.710 704 HG23 ILE 80 3HG2 ILE 80 5.556 0.240 -5.440 705 HD11 ILE 80 3HD1 ILE 80 8.807 0.454 -7.393 706 HD12 ILE 80 1HD1 ILE 80 10.278 1.371 -7.075 707 HD13 ILE 80 2HD1 ILE 80 8.829 2.206 -7.627 708 H LEU 81 H LEU 81 5.212 3.787 -4.244 709 HA LEU 81 HA LEU 81 2.735 2.439 -4.535 710 HB2 LEU 81 2HB LEU 81 3.607 4.880 -2.957 711 HB3 LEU 81 3HB LEU 81 1.930 4.374 -2.959 712 HG LEU 81 HG LEU 81 4.254 2.669 -1.970 713 HD11 LEU 81 1HD1 LEU 81 3.369 3.093 0.285 714 HD12 LEU 81 2HD1 LEU 81 2.157 4.192 -0.382 715 HD13 LEU 81 3HD1 LEU 81 3.874 4.585 -0.506 716 HD21 LEU 81 3HD2 LEU 81 2.531 1.151 -1.087 717 HD22 LEU 81 1HD2 LEU 81 2.418 1.287 -2.841 718 HD23 LEU 81 2HD2 LEU 81 1.263 2.139 -1.816 719 H ASN 82 H ASN 82 3.927 5.591 -5.651 720 HA ASN 82 HA ASN 82 1.556 6.789 -6.580 721 HB2 ASN 82 2HB ASN 82 4.420 7.025 -7.641 722 HB3 ASN 82 3HB ASN 82 3.096 8.055 -8.188 723 HD21 ASN 82 1HD2 ASN 82 5.630 8.615 -6.709 724 HD22 ASN 82 2HD2 ASN 82 5.122 9.519 -5.327 725 H LYS 83 H LYS 83 3.847 4.609 -8.173 726 HA LYS 83 HA LYS 83 2.637 4.596 -10.743 727 HB2 LYS 83 2HB LYS 83 4.406 2.429 -9.531 728 HB3 LYS 83 3HB LYS 83 4.114 2.702 -11.242 729 HG2 LYS 83 2HG LYS 83 5.709 4.443 -9.346 730 HG3 LYS 83 3HG LYS 83 6.332 3.450 -10.654 731 HD2 LYS 83 2HD LYS 83 6.404 5.481 -11.739 732 HD3 LYS 83 3HD LYS 83 4.728 5.087 -12.121 733 HE2 LYS 83 2HE LYS 83 4.033 6.426 -10.109 734 HE3 LYS 83 3HE LYS 83 5.721 6.884 -9.882 735 HZ1 LYS 83 3HZ LYS 83 3.996 7.549 -12.209 736 HZ2 LYS 83 1HZ LYS 83 5.650 7.870 -12.130 737 HZ3 LYS 83 2HZ LYS 83 4.600 8.614 -11.042 738 H VAL 84 H VAL 84 2.291 2.549 -7.879 739 HA VAL 84 HA VAL 84 0.744 0.452 -9.028 740 HB VAL 84 HB VAL 84 1.187 1.360 -6.139 741 HG11 VAL 84 1HG1 VAL 84 -0.297 -1.138 -7.042 742 HG12 VAL 84 2HG1 VAL 84 -0.987 0.236 -6.179 743 HG13 VAL 84 3HG1 VAL 84 0.206 -0.792 -5.385 744 HG21 VAL 84 3HG2 VAL 84 3.167 0.447 -7.306 745 HG22 VAL 84 1HG2 VAL 84 2.281 -1.030 -7.683 746 HG23 VAL 84 2HG2 VAL 84 2.656 -0.627 -6.005 747 H PHE 85 H PHE 85 -0.179 3.181 -6.907 748 HA PHE 85 HA PHE 85 -2.955 2.759 -6.864 749 HB2 PHE 85 2HB PHE 85 -1.461 5.394 -6.489 750 HB3 PHE 85 3HB PHE 85 -3.145 5.119 -6.055 751 HD1 PHE 85 HD1 PHE 85 -2.781 2.294 -4.844 752 HD2 PHE 85 HD2 PHE 85 -0.625 5.960 -4.321 753 HE1 PHE 85 HE1 PHE 85 -2.098 1.584 -2.587 754 HE2 PHE 85 HE2 PHE 85 0.048 5.230 -2.073 755 HZ PHE 85 HZ PHE 85 -0.686 3.048 -1.206 756 H ALA 86 H ALA 86 -0.943 4.694 -9.049 757 HA ALA 86 HA ALA 86 -2.964 5.997 -10.540 758 HB1 ALA 86 3HB ALA 86 -1.215 6.398 -12.226 759 HB2 ALA 86 1HB ALA 86 -0.172 5.200 -11.442 760 HB3 ALA 86 2HB ALA 86 -0.596 6.690 -10.600 761 H GLU 87 H GLU 87 -1.621 2.758 -10.752 762 HA GLU 87 HA GLU 87 -2.956 2.129 -13.282 763 HB2 GLU 87 2HB GLU 87 -1.224 0.434 -11.431 764 HB3 GLU 87 3HB GLU 87 -1.903 -0.132 -12.959 765 HG2 GLU 87 2HG GLU 87 -0.639 1.668 -14.152 766 HG3 GLU 87 3HG GLU 87 0.084 2.137 -12.614 767 H LEU 88 H LEU 88 -3.924 2.276 -10.070 768 HA LEU 88 HA LEU 88 -5.834 0.013 -10.309 769 HB2 LEU 88 2HB LEU 88 -5.003 1.483 -7.773 770 HB3 LEU 88 3HB LEU 88 -6.101 0.115 -7.867 771 HG LEU 88 HG LEU 88 -3.104 0.092 -8.352 772 HD11 LEU 88 1HD1 LEU 88 -3.011 -1.411 -6.430 773 HD12 LEU 88 2HD1 LEU 88 -4.763 -1.299 -6.237 774 HD13 LEU 88 3HD1 LEU 88 -3.754 0.130 -5.998 775 HD21 LEU 88 3HD2 LEU 88 -5.021 -2.225 -8.719 776 HD22 LEU 88 1HD2 LEU 88 -3.258 -2.328 -8.756 777 HD23 LEU 88 2HD2 LEU 88 -4.112 -1.405 -9.990 778 H GLY 89 H GLY 89 -5.525 3.414 -10.344 779 HA2 GLY 89 2HA GLY 89 -7.190 4.877 -11.108 780 HA3 GLY 89 3HA GLY 89 -8.435 3.768 -10.562 781 H TYR 90 H TYR 90 -5.992 4.287 -8.217 782 HA TYR 90 HA TYR 90 -7.696 6.049 -6.626 783 HB2 TYR 90 2HB TYR 90 -4.941 4.958 -5.899 784 HB3 TYR 90 3HB TYR 90 -6.120 5.667 -4.800 785 HD1 TYR 90 HD2 TYR 90 -8.627 4.229 -5.655 786 HD2 TYR 90 HD1 TYR 90 -4.647 2.766 -5.066 787 HE1 TYR 90 HE2 TYR 90 -9.510 1.979 -5.207 788 HE2 TYR 90 HE1 TYR 90 -5.545 0.527 -4.619 789 HH TYR 90 HH TYR 90 -7.613 -0.510 -3.900 790 H ASN 91 H ASN 91 -7.399 8.196 -6.486 791 HA ASN 91 HA ASN 91 -5.590 9.442 -8.404 792 HB2 ASN 91 2HB ASN 91 -8.089 10.006 -8.072 793 HB3 ASN 91 3HB ASN 91 -7.617 10.809 -6.583 794 HD21 ASN 91 1HD2 ASN 91 -8.882 11.898 -8.963 795 HD22 ASN 91 2HD2 ASN 91 -7.864 13.179 -9.526 796 H ASP 92 H ASP 92 -3.985 10.914 -7.905 797 HA ASP 92 HA ASP 92 -2.400 10.838 -5.628 798 HB2 ASP 92 2HB ASP 92 -1.521 11.729 -7.690 799 HB3 ASP 92 3HB ASP 92 -2.780 12.953 -7.791 800 H SER 93 H SER 93 -5.130 12.916 -6.382 801 HA SER 93 HA SER 93 -5.051 14.849 -4.388 802 HB2 SER 93 2HB SER 93 -7.534 13.548 -5.593 803 HB3 SER 93 3HB SER 93 -7.446 15.151 -4.857 804 HG SER 93 HG SER 93 -7.304 15.093 -7.209 805 H ASN 94 H ASN 94 -5.730 11.488 -4.025 806 HA ASN 94 HA ASN 94 -7.198 11.787 -1.471 807 HB2 ASN 94 2HB ASN 94 -6.959 9.414 -3.380 808 HB3 ASN 94 3HB ASN 94 -7.851 9.396 -1.859 809 HD21 ASN 94 1HD2 ASN 94 -9.762 8.858 -2.996 810 HD22 ASN 94 2HD2 ASN 94 -10.632 10.028 -3.923 811 H VAL 95 H VAL 95 -4.110 11.130 -2.633 812 HA VAL 95 HA VAL 95 -3.377 9.051 -0.711 813 HB VAL 95 HB VAL 95 -1.675 10.474 -2.824 814 HG11 VAL 95 1HG1 VAL 95 -1.089 7.970 -1.201 815 HG12 VAL 95 2HG1 VAL 95 -0.295 9.535 -1.029 816 HG13 VAL 95 3HG1 VAL 95 -0.085 8.603 -2.509 817 HG21 VAL 95 3HG2 VAL 95 -3.528 9.191 -3.836 818 HG22 VAL 95 1HG2 VAL 95 -3.031 7.747 -2.953 819 HG23 VAL 95 2HG2 VAL 95 -1.976 8.436 -4.191 820 H THR 96 H THR 96 -3.110 9.786 1.330 821 HA THR 96 HA THR 96 -1.976 12.477 1.852 822 HB THR 96 HB THR 96 -3.780 10.761 3.638 823 HG1 THR 96 HG1 THR 96 -4.810 11.551 1.707 824 HG21 THR 96 3HG2 THR 96 -2.979 13.693 3.896 825 HG22 THR 96 1HG2 THR 96 -2.382 12.376 4.912 826 HG23 THR 96 2HG2 THR 96 -4.088 12.822 4.958 827 H TRP 97 H TRP 97 0.143 12.371 2.536 828 HA TRP 97 HA TRP 97 1.125 10.014 4.029 829 HB2 TRP 97 2HB TRP 97 2.506 12.251 2.508 830 HB3 TRP 97 3HB TRP 97 3.402 11.290 3.685 831 HD1 TRP 97 HD1 TRP 97 1.636 10.908 0.270 832 HE1 TRP 97 HE1 TRP 97 2.445 8.716 -0.798 833 HE3 TRP 97 HE3 TRP 97 4.388 9.011 4.167 834 HZ2 TRP 97 HZ2 TRP 97 4.038 6.518 -0.135 835 HZ3 TRP 97 HZ3 TRP 97 5.532 6.842 3.854 836 HH2 TRP 97 HH2 TRP 97 5.352 5.625 1.738 837 H ASP 98 H ASP 98 1.899 10.113 6.042 838 HA ASP 98 HA ASP 98 2.296 12.698 7.408 839 HB2 ASP 98 2HB ASP 98 0.950 10.214 8.607 840 HB3 ASP 98 3HB ASP 98 1.463 11.618 9.541 841 H GLY 99 H GLY 99 4.378 11.972 6.320 842 HA2 GLY 99 2HA GLY 99 6.554 11.252 6.395 843 HA3 GLY 99 3HA GLY 99 6.414 11.760 8.058 844 H ASP 100 H ASP 100 4.746 8.855 6.860 845 HA ASP 100 HA ASP 100 6.545 6.875 7.813 846 HB2 ASP 100 2HB ASP 100 6.252 7.884 10.006 847 HB3 ASP 100 3HB ASP 100 4.508 7.935 9.823 848 H THR 101 H THR 101 3.110 7.760 7.846 849 HA THR 101 HA THR 101 2.342 5.152 6.645 850 HB THR 101 HB THR 101 0.687 6.905 8.544 851 HG1 THR 101 HG1 THR 101 2.624 5.220 9.130 852 HG21 THR 101 3HG2 THR 101 0.103 4.112 7.461 853 HG22 THR 101 1HG2 THR 101 -0.736 5.590 6.988 854 HG23 THR 101 2HG2 THR 101 -0.877 4.991 8.640 855 H VAL 102 H VAL 102 0.668 5.242 5.041 856 HA VAL 102 HA VAL 102 -0.039 7.916 4.004 857 HB VAL 102 HB VAL 102 1.652 7.024 2.526 858 HG11 VAL 102 1HG1 VAL 102 1.398 4.943 1.223 859 HG12 VAL 102 2HG1 VAL 102 -0.056 4.547 2.145 860 HG13 VAL 102 3HG1 VAL 102 1.506 4.631 2.959 861 HG21 VAL 102 3HG2 VAL 102 0.431 7.093 0.382 862 HG22 VAL 102 1HG2 VAL 102 -0.143 8.327 1.506 863 HG23 VAL 102 2HG2 VAL 102 -1.091 6.863 1.243 864 H THR 103 H THR 103 -2.149 8.215 4.285 865 HA THR 103 HA THR 103 -4.107 6.045 4.216 866 HB THR 103 HB THR 103 -4.289 8.976 5.055 867 HG1 THR 103 HG1 THR 103 -3.252 7.513 6.516 868 HG21 THR 103 3HG2 THR 103 -6.471 8.301 4.097 869 HG22 THR 103 1HG2 THR 103 -6.574 8.498 5.846 870 HG23 THR 103 2HG2 THR 103 -6.499 6.880 5.146 871 H VAL 104 H VAL 104 -4.490 5.559 2.145 872 HA VAL 104 HA VAL 104 -5.104 7.612 0.127 873 HB VAL 104 HB VAL 104 -4.530 4.630 -0.289 874 HG11 VAL 104 1HG1 VAL 104 -5.962 5.546 -2.063 875 HG12 VAL 104 2HG1 VAL 104 -4.350 5.210 -2.696 876 HG13 VAL 104 3HG1 VAL 104 -4.825 6.873 -2.333 877 HG21 VAL 104 3HG2 VAL 104 -2.349 5.339 -1.179 878 HG22 VAL 104 1HG2 VAL 104 -2.529 5.780 0.517 879 HG23 VAL 104 2HG2 VAL 104 -2.700 7.009 -0.738 880 H GLU 105 H GLU 105 -7.223 8.010 0.126 881 HA GLU 105 HA GLU 105 -9.190 5.879 0.604 882 HB2 GLU 105 2HB GLU 105 -9.508 8.904 0.367 883 HB3 GLU 105 3HB GLU 105 -10.834 7.774 0.650 884 HG2 GLU 105 2HG GLU 105 -9.921 7.129 2.803 885 HG3 GLU 105 3HG GLU 105 -8.444 8.036 2.488 886 H GLY 106 H GLY 106 -10.898 5.540 -0.942 887 HA2 GLY 106 2HA GLY 106 -10.659 6.783 -3.593 888 HA3 GLY 106 3HA GLY 106 -10.387 5.045 -3.508 889 H GLN 107 H GLN 107 -12.549 6.889 -4.685 890 HA GLN 107 HA GLN 107 -15.019 5.953 -3.542 891 HB2 GLN 107 2HB GLN 107 -14.677 8.051 -5.024 892 HB3 GLN 107 3HB GLN 107 -14.555 6.960 -6.394 893 HG2 GLN 107 2HG GLN 107 -16.783 7.760 -6.407 894 HG3 GLN 107 3HG GLN 107 -16.889 6.121 -5.770 895 HE21 GLN 107 1HE2 GLN 107 -17.587 5.835 -3.646 896 HE22 GLN 107 2HE2 GLN 107 -18.174 7.118 -2.650 897 H LEU 108 H LEU 108 -15.101 3.777 -3.435 898 HA LEU 108 HA LEU 108 -14.081 2.019 -5.506 899 HB2 LEU 108 2HB LEU 108 -13.860 1.646 -2.974 900 HB3 LEU 108 3HB LEU 108 -15.577 1.296 -2.959 901 HG LEU 108 HG LEU 108 -15.106 -0.595 -4.602 902 HD11 LEU 108 1HD1 LEU 108 -12.220 -0.035 -3.864 903 HD12 LEU 108 2HD1 LEU 108 -12.958 0.152 -5.458 904 HD13 LEU 108 3HD1 LEU 108 -12.809 -1.449 -4.742 905 HD21 LEU 108 3HD2 LEU 108 -15.550 -1.025 -2.244 906 HD22 LEU 108 1HD2 LEU 108 -13.845 -0.790 -1.849 907 HD23 LEU 108 2HD2 LEU 108 -14.342 -2.148 -2.862 908 H GLU 109 H GLU 109 -15.410 0.316 -6.404 909 HA GLU 109 HA GLU 109 -17.916 1.108 -7.463 910 HB2 GLU 109 2HB GLU 109 -17.962 -1.177 -8.443 911 HB3 GLU 109 3HB GLU 109 -16.423 -0.366 -8.716 912 HG2 GLU 109 2HG GLU 109 -15.274 -1.724 -7.162 913 HG3 GLU 109 3HG GLU 109 -16.759 -2.248 -6.374 914 H GLY 110 H GLY 110 -19.618 -0.775 -7.486 915 HA2 GLY 110 2HA GLY 110 -20.515 -2.384 -5.593 916 HA3 GLY 110 3HA GLY 110 -20.840 -0.817 -4.840 917 H VAL 111 H VAL 111 -22.604 0.300 -5.470 918 HA VAL 111 HA VAL 111 -24.169 -0.573 -7.849 919 HB VAL 111 HB VAL 111 -26.251 -0.088 -6.514 920 HG11 VAL 111 1HG1 VAL 111 -24.517 -2.299 -5.348 921 HG12 VAL 111 2HG1 VAL 111 -25.515 -2.409 -6.800 922 HG13 VAL 111 3HG1 VAL 111 -26.278 -2.188 -5.226 923 HG21 VAL 111 3HG2 VAL 111 -24.359 0.074 -4.123 924 HG22 VAL 111 1HG2 VAL 111 -26.124 0.049 -4.036 925 HG23 VAL 111 2HG2 VAL 111 -25.299 1.405 -4.800 926 H ASP 112 H ASP 112 -25.765 1.121 -8.535 927 HA ASP 112 HA ASP 112 -26.668 3.140 -8.902 928 HB2 ASP 112 2HB ASP 112 -26.529 3.656 -6.499 929 HB3 ASP 112 3HB ASP 112 -24.881 4.228 -6.692 930 H LEU 113 H LEU 113 -23.215 2.909 -8.964 931 HA LEU 113 HA LEU 113 -22.550 5.365 -10.229 932 HB2 LEU 113 2HB LEU 113 -21.034 2.729 -10.210 933 HB3 LEU 113 3HB LEU 113 -20.344 4.295 -10.600 934 HG LEU 113 HG LEU 113 -21.434 3.480 -7.875 935 HD11 LEU 113 1HD1 LEU 113 -19.367 2.287 -8.403 936 HD12 LEU 113 2HD1 LEU 113 -19.108 3.460 -7.118 937 HD13 LEU 113 3HD1 LEU 113 -18.550 3.813 -8.755 938 HD21 LEU 113 3HD2 LEU 113 -20.457 5.574 -7.034 939 HD22 LEU 113 1HD2 LEU 113 -21.707 5.883 -8.238 940 HD23 LEU 113 2HD2 LEU 113 -20.005 6.037 -8.677 941 H GLU 114 H GLU 114 -22.104 5.831 -12.399 942 HA GLU 114 HA GLU 114 -24.044 4.836 -14.198 943 HB2 GLU 114 2HB GLU 114 -23.336 6.523 -15.729 944 HB3 GLU 114 3HB GLU 114 -23.163 7.198 -14.119 945 HG2 GLU 114 2HG GLU 114 -20.913 6.153 -15.866 946 HG3 GLU 114 3HG GLU 114 -21.306 7.847 -15.589 947 H HIS 115 H HIS 115 -20.684 3.966 -13.851 948 HA HIS 115 HA HIS 115 -20.267 2.863 -16.450 949 HB2 HIS 115 2HB HIS 115 -18.213 1.814 -15.440 950 HB3 HIS 115 3HB HIS 115 -18.339 3.542 -15.183 951 HD1 HIS 115 HD1 HIS 115 -16.514 3.053 -13.321 952 HD2 HIS 115 HD2 HIS 115 -20.321 1.585 -12.501 953 HE1 HIS 115 HE1 HIS 115 -16.498 2.454 -10.877 954 HE2 HIS 115 HE2 HIS 115 -18.813 1.605 -10.403 955 H HIS 116 H HIS 116 -19.635 0.465 -16.720 956 HA HIS 116 HA HIS 116 -22.093 -0.903 -16.632 957 HB2 HIS 116 2HB HIS 116 -20.974 -2.769 -17.769 958 HB3 HIS 116 3HB HIS 116 -20.491 -1.242 -18.481 959 HD1 HIS 116 HD1 HIS 116 -18.008 -0.683 -18.456 960 HD2 HIS 116 HD2 HIS 116 -18.910 -4.208 -16.445 961 HE1 HIS 116 HE1 HIS 116 -15.808 -1.828 -18.074 962 HE2 HIS 116 HE2 HIS 116 -16.366 -3.855 -16.710 963 H HIS 117 H HIS 117 -22.990 -2.237 -15.216 964 HA HIS 117 HA HIS 117 -21.438 -3.605 -13.138 965 HB2 HIS 117 2HB HIS 117 -22.861 -2.764 -11.316 966 HB3 HIS 117 3HB HIS 117 -22.105 -1.406 -12.143 967 HD1 HIS 117 HD1 HIS 117 -25.352 -2.660 -11.067 968 HD2 HIS 117 HD2 HIS 117 -23.971 0.006 -13.949 969 HE1 HIS 117 HE1 HIS 117 -27.339 -1.271 -11.714 970 HE2 HIS 117 HE2 HIS 117 -26.427 0.455 -13.292 971 H HIS 118 H HIS 118 -22.308 -5.490 -12.522 972 HA HIS 118 HA HIS 118 -24.972 -6.340 -13.522 973 HB2 HIS 118 2HB HIS 118 -22.620 -8.091 -12.629 974 HB3 HIS 118 3HB HIS 118 -24.124 -8.649 -13.361 975 HD1 HIS 118 HD1 HIS 118 -20.932 -8.742 -14.352 976 HD2 HIS 118 HD2 HIS 118 -24.162 -6.720 -16.012 977 HE1 HIS 118 HE1 HIS 118 -20.323 -8.354 -16.758 978 HE2 HIS 118 HE2 HIS 118 -22.232 -7.022 -17.697 979 H HIS 119 H HIS 119 -25.884 -8.101 -11.921 980 HA HIS 119 HA HIS 119 -25.836 -7.152 -9.180 981 HB2 HIS 119 2HB HIS 119 -27.236 -9.540 -10.486 982 HB3 HIS 119 3HB HIS 119 -27.301 -9.230 -8.754 983 HD1 HIS 119 HD1 HIS 119 -28.659 -7.171 -7.955 984 HD2 HIS 119 HD2 HIS 119 -28.876 -7.852 -12.052 985 HE1 HIS 119 HE1 HIS 119 -30.568 -5.763 -8.775 986 HE2 HIS 119 HE2 HIS 119 -30.788 -6.333 -11.211 987 H HIS 120 H HIS 120 -23.636 -7.282 -8.816 988 HA HIS 120 HA HIS 120 -21.967 -9.551 -9.071 989 HB2 HIS 120 2HB HIS 120 -21.148 -7.197 -8.971 990 HB3 HIS 120 3HB HIS 120 -21.677 -7.072 -7.300 991 HD1 HIS 120 HD1 HIS 120 -20.386 -8.900 -5.643 992 HD2 HIS 120 HD2 HIS 120 -18.540 -7.861 -9.211 993 HE1 HIS 120 HE1 HIS 120 -17.986 -9.559 -5.378 994 HE2 HIS 120 HE2 HIS 120 -16.943 -9.084 -7.601 Start of MODEL 10 1 H1 MET 1 1H MET 1 21.902 -2.576 2.984 2 H2 MET 1 2H MET 1 20.437 -2.411 2.168 3 H3 MET 1 3H MET 1 21.806 -1.627 1.585 4 HA MET 1 HA MET 1 22.843 -3.699 1.069 5 HB2 MET 1 2HB MET 1 20.219 -4.980 1.965 6 HB3 MET 1 3HB MET 1 21.611 -5.827 1.295 7 HG2 MET 1 2HG MET 1 21.588 -6.201 3.659 8 HG3 MET 1 3HG MET 1 22.923 -5.098 3.316 9 HE1 MET 1 3HE MET 1 21.599 -5.601 6.257 10 HE2 MET 1 1HE MET 1 21.523 -3.955 6.882 11 HE3 MET 1 2HE MET 1 22.963 -4.505 6.027 12 H SER 2 H SER 2 22.232 -4.942 -0.956 13 HA SER 2 HA SER 2 20.744 -3.282 -2.788 14 HB2 SER 2 2HB SER 2 22.044 -5.998 -3.288 15 HB3 SER 2 3HB SER 2 21.558 -4.819 -4.509 16 HG SER 2 HG SER 2 23.712 -4.752 -2.713 17 H GLY 3 H GLY 3 18.736 -3.483 -1.565 18 HA2 GLY 3 2HA GLY 3 16.551 -4.551 -2.232 19 HA3 GLY 3 3HA GLY 3 17.311 -6.075 -1.792 20 H LYS 4 H LYS 4 14.932 -5.158 -0.657 21 HA LYS 4 HA LYS 4 15.698 -5.128 2.169 22 HB2 LYS 4 2HB LYS 4 14.082 -3.388 2.791 23 HB3 LYS 4 3HB LYS 4 15.305 -2.735 1.722 24 HG2 LYS 4 2HG LYS 4 12.625 -3.611 0.619 25 HG3 LYS 4 3HG LYS 4 12.799 -2.045 1.400 26 HD2 LYS 4 2HD LYS 4 14.423 -2.970 -1.006 27 HD3 LYS 4 3HD LYS 4 13.010 -1.912 -1.081 28 HE2 LYS 4 2HE LYS 4 14.186 -0.231 0.296 29 HE3 LYS 4 3HE LYS 4 15.594 -1.291 0.391 30 HZ1 LYS 4 3HZ LYS 4 14.535 -0.393 -2.219 31 HZ2 LYS 4 1HZ LYS 4 16.072 -0.984 -1.846 32 HZ3 LYS 4 2HZ LYS 4 15.610 0.562 -1.336 33 H LYS 5 H LYS 5 14.254 -6.120 3.510 34 HA LYS 5 HA LYS 5 11.849 -7.379 2.360 35 HB2 LYS 5 2HB LYS 5 13.471 -8.747 3.703 36 HB3 LYS 5 3HB LYS 5 13.150 -7.744 5.105 37 HG2 LYS 5 2HG LYS 5 10.862 -9.204 3.769 38 HG3 LYS 5 3HG LYS 5 11.970 -10.098 4.803 39 HD2 LYS 5 2HD LYS 5 10.263 -7.720 5.644 40 HD3 LYS 5 3HD LYS 5 9.984 -9.413 6.060 41 HE2 LYS 5 2HE LYS 5 12.193 -9.432 7.264 42 HE3 LYS 5 3HE LYS 5 12.340 -7.702 6.939 43 HZ1 LYS 5 3HZ LYS 5 11.465 -8.123 9.153 44 HZ2 LYS 5 1HZ LYS 5 10.163 -8.986 8.509 45 HZ3 LYS 5 2HZ LYS 5 10.312 -7.328 8.209 46 H VAL 6 H VAL 6 10.302 -5.916 2.258 47 HA VAL 6 HA VAL 6 9.870 -3.941 4.403 48 HB VAL 6 HB VAL 6 10.007 -2.728 2.368 49 HG11 VAL 6 1HG1 VAL 6 8.895 -3.348 0.243 50 HG12 VAL 6 2HG1 VAL 6 8.271 -4.818 1.000 51 HG13 VAL 6 3HG1 VAL 6 10.008 -4.606 0.789 52 HG21 VAL 6 3HG2 VAL 6 7.748 -1.871 1.893 53 HG22 VAL 6 1HG2 VAL 6 7.983 -2.102 3.628 54 HG23 VAL 6 2HG2 VAL 6 7.030 -3.265 2.705 55 H GLU 7 H GLU 7 8.078 -4.054 5.612 56 HA GLU 7 HA GLU 7 6.056 -6.137 5.056 57 HB2 GLU 7 2HB GLU 7 6.741 -4.774 7.697 58 HB3 GLU 7 3HB GLU 7 5.499 -6.006 7.474 59 HG2 GLU 7 2HG GLU 7 7.143 -7.688 6.933 60 HG3 GLU 7 3HG GLU 7 8.429 -6.480 6.853 61 H VAL 8 H VAL 8 4.343 -5.367 4.157 62 HA VAL 8 HA VAL 8 3.591 -2.531 4.312 63 HB VAL 8 HB VAL 8 2.680 -4.763 2.417 64 HG11 VAL 8 1HG1 VAL 8 1.691 -2.991 1.026 65 HG12 VAL 8 2HG1 VAL 8 2.147 -1.774 2.220 66 HG13 VAL 8 3HG1 VAL 8 0.958 -3.012 2.631 67 HG21 VAL 8 3HG2 VAL 8 5.070 -4.190 2.144 68 HG22 VAL 8 1HG2 VAL 8 4.645 -2.491 1.910 69 HG23 VAL 8 2HG2 VAL 8 4.129 -3.706 0.735 70 H GLN 9 H GLN 9 2.193 -2.133 5.935 71 HA GLN 9 HA GLN 9 0.336 -4.216 6.895 72 HB2 GLN 9 2HB GLN 9 1.116 -1.511 8.100 73 HB3 GLN 9 3HB GLN 9 0.080 -2.713 8.871 74 HG2 GLN 9 2HG GLN 9 1.942 -4.268 9.072 75 HG3 GLN 9 3HG GLN 9 2.984 -3.199 8.130 76 HE21 GLN 9 1HE2 GLN 9 3.831 -1.334 9.115 77 HE22 GLN 9 2HE2 GLN 9 3.830 -1.115 10.828 78 H VAL 10 H VAL 10 -1.377 -4.173 5.530 79 HA VAL 10 HA VAL 10 -2.521 -1.639 4.566 80 HB VAL 10 HB VAL 10 -3.121 -4.536 3.757 81 HG11 VAL 10 1HG1 VAL 10 -4.466 -3.601 1.905 82 HG12 VAL 10 2HG1 VAL 10 -4.199 -1.968 2.519 83 HG13 VAL 10 3HG1 VAL 10 -5.130 -3.126 3.470 84 HG21 VAL 10 3HG2 VAL 10 -1.972 -3.961 1.639 85 HG22 VAL 10 1HG2 VAL 10 -0.896 -3.782 3.027 86 HG23 VAL 10 2HG2 VAL 10 -1.605 -2.354 2.270 87 H LYS 11 H LYS 11 -3.808 -0.783 6.069 88 HA LYS 11 HA LYS 11 -5.714 -2.494 7.576 89 HB2 LYS 11 2HB LYS 11 -3.836 -1.405 8.884 90 HB3 LYS 11 3HB LYS 11 -4.435 0.173 8.389 91 HG2 LYS 11 2HG LYS 11 -6.426 -0.062 9.692 92 HG3 LYS 11 3HG LYS 11 -6.154 -1.788 9.943 93 HD2 LYS 11 2HD LYS 11 -4.453 0.466 11.101 94 HD3 LYS 11 3HD LYS 11 -5.643 -0.488 11.985 95 HE2 LYS 11 2HE LYS 11 -4.277 -2.538 11.500 96 HE3 LYS 11 3HE LYS 11 -3.056 -1.504 10.761 97 HZ1 LYS 11 3HZ LYS 11 -2.380 -1.938 12.964 98 HZ2 LYS 11 1HZ LYS 11 -3.900 -1.561 13.600 99 HZ3 LYS 11 2HZ LYS 11 -2.928 -0.340 12.959 100 H ILE 12 H ILE 12 -7.591 -2.296 6.449 101 HA ILE 12 HA ILE 12 -8.327 0.324 5.250 102 HB ILE 12 HB ILE 12 -7.758 -1.231 3.475 103 HG12 ILE 12 2HG1 ILE 12 -10.805 -1.002 3.648 104 HG13 ILE 12 3HG1 ILE 12 -9.718 0.252 3.061 105 HG21 ILE 12 1HG2 ILE 12 -7.980 -3.372 4.650 106 HG22 ILE 12 2HG2 ILE 12 -8.849 -3.415 3.116 107 HG23 ILE 12 3HG2 ILE 12 -9.740 -3.224 4.629 108 HD11 ILE 12 3HD1 ILE 12 -10.801 -0.880 1.226 109 HD12 ILE 12 1HD1 ILE 12 -10.186 -2.439 1.773 110 HD13 ILE 12 2HD1 ILE 12 -9.070 -1.201 1.189 111 H THR 13 H THR 13 -10.186 1.201 5.973 112 HA THR 13 HA THR 13 -12.006 -0.402 7.628 113 HB THR 13 HB THR 13 -12.001 2.612 7.122 114 HG1 THR 13 HG1 THR 13 -10.163 1.609 8.330 115 HG21 THR 13 3HG2 THR 13 -13.481 2.722 9.099 116 HG22 THR 13 1HG2 THR 13 -13.492 0.960 9.212 117 HG23 THR 13 2HG2 THR 13 -14.231 1.764 7.825 118 H CYS 14 H CYS 14 -13.755 -1.240 6.820 119 HA CYS 14 HA CYS 14 -15.435 -0.063 4.763 120 HB2 CYS 14 2HB CYS 14 -13.869 -1.229 3.323 121 HB3 CYS 14 3HB CYS 14 -13.886 -2.656 4.351 122 H ASN 15 H ASN 15 -17.577 -0.920 4.901 123 HA ASN 15 HA ASN 15 -19.404 -2.043 5.676 124 HB2 ASN 15 2HB ASN 15 -18.109 -4.058 4.929 125 HB3 ASN 15 3HB ASN 15 -17.380 -4.176 6.519 126 HD21 ASN 15 1HD2 ASN 15 -18.499 -5.221 8.142 127 HD22 ASN 15 2HD2 ASN 15 -20.027 -5.995 7.910 128 H GLY 16 H GLY 16 -17.681 -0.230 7.388 129 HA2 GLY 16 2HA GLY 16 -17.928 0.798 9.435 130 HA3 GLY 16 3HA GLY 16 -19.102 -0.428 9.887 131 H LYS 17 H LYS 17 -16.276 -1.875 8.793 132 HA LYS 17 HA LYS 17 -15.114 -2.159 11.508 133 HB2 LYS 17 2HB LYS 17 -15.399 -4.341 9.377 134 HB3 LYS 17 3HB LYS 17 -14.629 -4.532 10.953 135 HG2 LYS 17 2HG LYS 17 -16.854 -3.988 12.023 136 HG3 LYS 17 3HG LYS 17 -17.562 -3.998 10.410 137 HD2 LYS 17 2HD LYS 17 -18.033 -6.128 11.393 138 HD3 LYS 17 3HD LYS 17 -16.798 -6.399 10.166 139 HE2 LYS 17 2HE LYS 17 -16.169 -6.085 13.121 140 HE3 LYS 17 3HE LYS 17 -16.479 -7.642 12.358 141 HZ1 LYS 17 3HZ LYS 17 -14.147 -7.297 12.495 142 HZ2 LYS 17 1HZ LYS 17 -14.247 -5.780 11.763 143 HZ3 LYS 17 2HZ LYS 17 -14.579 -7.175 10.869 144 H THR 18 H THR 18 -12.796 -3.094 11.363 145 HA THR 18 HA THR 18 -11.348 -1.793 9.105 146 HB THR 18 HB THR 18 -10.362 -2.016 11.996 147 HG1 THR 18 HG1 THR 18 -11.221 0.383 10.719 148 HG21 THR 18 3HG2 THR 18 -9.299 -0.402 9.637 149 HG22 THR 18 1HG2 THR 18 -8.539 -1.841 10.326 150 HG23 THR 18 2HG2 THR 18 -8.665 -0.367 11.284 151 H TYR 19 H TYR 19 -10.330 -3.240 7.900 152 HA TYR 19 HA TYR 19 -9.701 -5.950 8.885 153 HB2 TYR 19 2HB TYR 19 -10.044 -5.006 5.991 154 HB3 TYR 19 3HB TYR 19 -9.881 -6.669 6.542 155 HD1 TYR 19 HD1 TYR 19 -11.799 -7.728 7.845 156 HD2 TYR 19 HD2 TYR 19 -12.185 -3.925 5.935 157 HE1 TYR 19 HE1 TYR 19 -14.251 -7.911 7.967 158 HE2 TYR 19 HE2 TYR 19 -14.622 -4.113 6.059 159 HH TYR 19 HH TYR 19 -16.328 -5.927 6.212 160 H GLU 20 H GLU 20 -7.578 -5.848 9.560 161 HA GLU 20 HA GLU 20 -5.576 -4.495 7.850 162 HB2 GLU 20 2HB GLU 20 -4.129 -4.467 9.871 163 HB3 GLU 20 3HB GLU 20 -5.631 -3.588 10.072 164 HG2 GLU 20 2HG GLU 20 -5.457 -4.638 12.116 165 HG3 GLU 20 3HG GLU 20 -6.474 -5.778 11.239 166 H ARG 21 H ARG 21 -3.483 -5.495 7.573 167 HA ARG 21 HA ARG 21 -2.916 -8.174 8.386 168 HB2 ARG 21 2HB ARG 21 -4.572 -8.600 6.524 169 HB3 ARG 21 3HB ARG 21 -3.489 -7.792 5.397 170 HG2 ARG 21 2HG ARG 21 -1.826 -9.532 5.634 171 HG3 ARG 21 3HG ARG 21 -2.710 -10.274 6.971 172 HD2 ARG 21 2HD ARG 21 -4.570 -10.829 5.424 173 HD3 ARG 21 3HD ARG 21 -3.676 -10.092 4.094 174 HE ARG 21 HE ARG 21 -1.941 -11.849 4.503 175 HH11 ARG 21 1HH1 ARG 21 -5.291 -12.481 5.394 176 HH12 ARG 21 2HH1 ARG 21 -5.135 -14.200 5.226 177 HH21 ARG 21 1HH2 ARG 21 -1.779 -14.093 4.243 178 HH22 ARG 21 2HH2 ARG 21 -3.146 -15.109 4.573 179 H THR 22 H THR 22 -0.750 -8.370 8.506 180 HA THR 22 HA THR 22 1.013 -6.337 7.327 181 HB THR 22 HB THR 22 1.687 -8.568 9.313 182 HG1 THR 22 HG1 THR 22 0.462 -7.357 10.566 183 HG21 THR 22 3HG2 THR 22 3.660 -7.218 9.879 184 HG22 THR 22 1HG2 THR 22 3.194 -5.990 8.700 185 HG23 THR 22 2HG2 THR 22 3.678 -7.598 8.157 186 H TYR 23 H TYR 23 1.801 -6.798 5.336 187 HA TYR 23 HA TYR 23 2.140 -9.579 4.413 188 HB2 TYR 23 2HB TYR 23 2.175 -6.940 2.866 189 HB3 TYR 23 3HB TYR 23 2.353 -8.536 2.144 190 HD1 TYR 23 HD1 TYR 23 -0.028 -6.269 3.878 191 HD2 TYR 23 HD2 TYR 23 0.404 -9.904 1.675 192 HE1 TYR 23 HE1 TYR 23 -2.462 -6.385 3.600 193 HE2 TYR 23 HE2 TYR 23 -2.035 -10.017 1.397 194 HH TYR 23 HH TYR 23 -4.071 -7.432 2.002 195 H GLN 24 H GLN 24 4.110 -10.429 4.407 196 HA GLN 24 HA GLN 24 6.530 -8.753 4.579 197 HB2 GLN 24 2HB GLN 24 6.122 -11.772 4.832 198 HB3 GLN 24 3HB GLN 24 7.719 -11.039 4.714 199 HG2 GLN 24 2HG GLN 24 7.245 -11.465 7.033 200 HG3 GLN 24 3HG GLN 24 7.249 -9.722 6.776 201 HE21 GLN 24 1HE2 GLN 24 5.979 -9.255 8.559 202 HE22 GLN 24 2HE2 GLN 24 4.311 -9.680 8.677 203 H LEU 25 H LEU 25 7.260 -8.008 2.723 204 HA LEU 25 HA LEU 25 7.194 -9.646 0.251 205 HB2 LEU 25 2HB LEU 25 6.836 -6.612 0.462 206 HB3 LEU 25 3HB LEU 25 6.829 -7.548 -1.026 207 HG LEU 25 HG LEU 25 4.721 -7.706 1.170 208 HD11 LEU 25 1HD1 LEU 25 4.524 -6.466 -1.591 209 HD12 LEU 25 2HD1 LEU 25 4.607 -5.592 -0.060 210 HD13 LEU 25 3HD1 LEU 25 3.214 -6.609 -0.414 211 HD21 LEU 25 3HD2 LEU 25 3.417 -9.098 -0.390 212 HD22 LEU 25 1HD2 LEU 25 4.938 -9.870 0.059 213 HD23 LEU 25 2HD2 LEU 25 4.773 -9.105 -1.523 214 H TYR 26 H TYR 26 9.262 -10.101 -0.368 215 HA TYR 26 HA TYR 26 11.453 -8.203 0.333 216 HB2 TYR 26 2HB TYR 26 11.694 -10.418 1.433 217 HB3 TYR 26 3HB TYR 26 11.607 -11.233 -0.127 218 HD1 TYR 26 HD1 TYR 26 13.646 -8.767 1.815 219 HD2 TYR 26 HD2 TYR 26 13.648 -11.594 -1.379 220 HE1 TYR 26 HE1 TYR 26 16.069 -8.501 1.600 221 HE2 TYR 26 HE2 TYR 26 16.088 -11.331 -1.599 222 HH TYR 26 HH TYR 26 17.987 -9.769 0.751 223 H ALA 27 H ALA 27 12.742 -7.444 -1.317 224 HA ALA 27 HA ALA 27 12.944 -8.792 -3.875 225 HB1 ALA 27 3HB ALA 27 10.884 -7.469 -4.242 226 HB2 ALA 27 1HB ALA 27 12.206 -6.867 -5.243 227 HB3 ALA 27 2HB ALA 27 11.735 -5.996 -3.782 228 H VAL 28 H VAL 28 14.700 -8.132 -5.068 229 HA VAL 28 HA VAL 28 16.945 -6.965 -3.756 230 HB VAL 28 HB VAL 28 16.603 -7.456 -6.759 231 HG11 VAL 28 1HG1 VAL 28 19.054 -7.727 -6.809 232 HG12 VAL 28 2HG1 VAL 28 19.143 -7.353 -5.085 233 HG13 VAL 28 3HG1 VAL 28 18.596 -6.124 -6.229 234 HG21 VAL 28 3HG2 VAL 28 16.029 -9.511 -5.547 235 HG22 VAL 28 1HG2 VAL 28 17.555 -9.444 -4.664 236 HG23 VAL 28 2HG2 VAL 28 17.554 -9.706 -6.408 237 H ARG 29 H ARG 29 14.420 -5.734 -5.807 238 HA ARG 29 HA ARG 29 15.434 -2.979 -5.550 239 HB2 ARG 29 2HB ARG 29 14.355 -4.264 -8.096 240 HB3 ARG 29 3HB ARG 29 14.505 -2.527 -7.883 241 HG2 ARG 29 2HG ARG 29 16.968 -2.798 -7.609 242 HG3 ARG 29 3HG ARG 29 16.786 -4.527 -7.920 243 HD2 ARG 29 2HD ARG 29 15.954 -4.081 -10.169 244 HD3 ARG 29 3HD ARG 29 15.956 -2.342 -9.862 245 HE ARG 29 HE ARG 29 18.513 -3.752 -9.662 246 HH11 ARG 29 1HH1 ARG 29 16.451 -1.649 -11.605 247 HH12 ARG 29 2HH1 ARG 29 17.751 -1.133 -12.632 248 HH21 ARG 29 1HH2 ARG 29 20.199 -3.072 -11.043 249 HH22 ARG 29 2HH2 ARG 29 19.866 -1.938 -12.314 250 H ASP 30 H ASP 30 13.872 -1.496 -4.975 251 HA ASP 30 HA ASP 30 11.251 -2.382 -4.207 252 HB2 ASP 30 2HB ASP 30 10.860 0.090 -3.646 253 HB3 ASP 30 3HB ASP 30 12.146 -0.726 -2.776 254 H GLU 31 H GLU 31 12.506 -1.089 -7.164 255 HA GLU 31 HA GLU 31 10.012 -0.243 -8.306 256 HB2 GLU 31 2HB GLU 31 11.159 -0.309 -10.480 257 HB3 GLU 31 3HB GLU 31 12.172 0.471 -9.272 258 HG2 GLU 31 2HG GLU 31 13.506 -1.578 -9.039 259 HG3 GLU 31 3HG GLU 31 12.482 -2.399 -10.209 260 H GLU 32 H GLU 32 11.548 -3.356 -7.880 261 HA GLU 32 HA GLU 32 9.737 -4.807 -9.640 262 HB2 GLU 32 2HB GLU 32 11.711 -5.886 -7.582 263 HB3 GLU 32 3HB GLU 32 10.907 -6.822 -8.837 264 HG2 GLU 32 2HG GLU 32 12.955 -4.628 -9.291 265 HG3 GLU 32 3HG GLU 32 13.252 -6.360 -9.392 266 H LEU 33 H LEU 33 9.887 -3.826 -6.320 267 HA LEU 33 HA LEU 33 8.089 -5.674 -5.122 268 HB2 LEU 33 2HB LEU 33 9.787 -3.792 -4.145 269 HB3 LEU 33 3HB LEU 33 8.322 -2.841 -4.075 270 HG LEU 33 HG LEU 33 8.850 -3.846 -1.899 271 HD11 LEU 33 1HD1 LEU 33 6.367 -5.152 -3.016 272 HD12 LEU 33 2HD1 LEU 33 6.487 -3.512 -2.374 273 HD13 LEU 33 3HD1 LEU 33 6.745 -4.890 -1.309 274 HD21 LEU 33 3HD2 LEU 33 10.081 -5.818 -2.600 275 HD22 LEU 33 1HD2 LEU 33 8.608 -6.562 -3.224 276 HD23 LEU 33 2HD2 LEU 33 8.791 -6.267 -1.491 277 H LYS 34 H LYS 34 7.615 -2.941 -7.216 278 HA LYS 34 HA LYS 34 5.136 -1.907 -6.681 279 HB2 LYS 34 2HB LYS 34 6.455 -2.471 -9.356 280 HB3 LYS 34 3HB LYS 34 4.891 -1.675 -9.260 281 HG2 LYS 34 2HG LYS 34 5.905 0.183 -7.985 282 HG3 LYS 34 3HG LYS 34 7.477 -0.624 -8.071 283 HD2 LYS 34 2HD LYS 34 7.322 1.119 -9.808 284 HD3 LYS 34 3HD LYS 34 7.429 -0.477 -10.548 285 HE2 LYS 34 2HE LYS 34 4.898 -0.426 -10.791 286 HE3 LYS 34 3HE LYS 34 4.950 1.259 -10.271 287 HZ1 LYS 34 3HZ LYS 34 6.314 1.786 -12.176 288 HZ2 LYS 34 1HZ LYS 34 4.902 1.021 -12.698 289 HZ3 LYS 34 2HZ LYS 34 6.363 0.168 -12.657 290 H GLU 35 H GLU 35 5.701 -4.728 -8.857 291 HA GLU 35 HA GLU 35 3.015 -5.255 -9.421 292 HB2 GLU 35 2HB GLU 35 3.789 -7.420 -10.337 293 HB3 GLU 35 3HB GLU 35 4.805 -6.079 -10.837 294 HG2 GLU 35 2HG GLU 35 6.434 -7.605 -10.383 295 HG3 GLU 35 3HG GLU 35 6.309 -6.875 -8.787 296 H LYS 36 H LYS 36 4.977 -6.285 -6.722 297 HA LYS 36 HA LYS 36 3.261 -8.347 -5.744 298 HB2 LYS 36 2HB LYS 36 5.387 -6.713 -4.279 299 HB3 LYS 36 3HB LYS 36 4.649 -8.205 -3.684 300 HG2 LYS 36 2HG LYS 36 5.529 -9.364 -5.746 301 HG3 LYS 36 3HG LYS 36 6.417 -7.884 -6.126 302 HD2 LYS 36 2HD LYS 36 7.800 -8.108 -4.172 303 HD3 LYS 36 3HD LYS 36 6.761 -9.372 -3.501 304 HE2 LYS 36 2HE LYS 36 7.370 -10.831 -5.451 305 HE3 LYS 36 3HE LYS 36 8.513 -9.587 -5.967 306 HZ1 LYS 36 3HZ LYS 36 9.564 -11.359 -4.692 307 HZ2 LYS 36 1HZ LYS 36 8.597 -11.002 -3.356 308 HZ3 LYS 36 2HZ LYS 36 9.719 -9.872 -3.923 309 H LEU 37 H LEU 37 3.675 -4.913 -5.007 310 HA LEU 37 HA LEU 37 1.713 -4.621 -3.004 311 HB2 LEU 37 2HB LEU 37 2.759 -2.642 -5.061 312 HB3 LEU 37 3HB LEU 37 1.750 -2.188 -3.695 313 HG LEU 37 HG LEU 37 4.482 -3.489 -3.396 314 HD11 LEU 37 1HD1 LEU 37 5.358 -1.270 -2.838 315 HD12 LEU 37 2HD1 LEU 37 3.800 -0.539 -3.232 316 HD13 LEU 37 3HD1 LEU 37 4.754 -1.323 -4.493 317 HD21 LEU 37 3HD2 LEU 37 4.326 -2.719 -1.072 318 HD22 LEU 37 1HD2 LEU 37 3.006 -3.814 -1.475 319 HD23 LEU 37 2HD2 LEU 37 2.711 -2.076 -1.380 320 H LYS 38 H LYS 38 1.484 -4.592 -6.573 321 HA LYS 38 HA LYS 38 -1.206 -3.795 -6.829 322 HB2 LYS 38 2HB LYS 38 0.470 -5.592 -8.635 323 HB3 LYS 38 3HB LYS 38 -1.078 -4.874 -9.084 324 HG2 LYS 38 2HG LYS 38 -0.109 -2.621 -8.922 325 HG3 LYS 38 3HG LYS 38 1.428 -3.311 -8.389 326 HD2 LYS 38 2HD LYS 38 1.540 -2.734 -10.772 327 HD3 LYS 38 3HD LYS 38 1.668 -4.481 -10.559 328 HE2 LYS 38 2HE LYS 38 -0.727 -4.719 -11.162 329 HE3 LYS 38 3HE LYS 38 -0.840 -2.970 -11.384 330 HZ1 LYS 38 3HZ LYS 38 0.829 -3.151 -13.142 331 HZ2 LYS 38 1HZ LYS 38 -0.548 -4.069 -13.485 332 HZ3 LYS 38 2HZ LYS 38 0.864 -4.830 -12.957 333 H LYS 39 H LYS 39 0.308 -7.023 -6.498 334 HA LYS 39 HA LYS 39 -2.039 -8.595 -6.643 335 HB2 LYS 39 2HB LYS 39 0.397 -9.237 -4.913 336 HB3 LYS 39 3HB LYS 39 -0.788 -10.380 -5.534 337 HG2 LYS 39 2HG LYS 39 1.293 -8.857 -7.111 338 HG3 LYS 39 3HG LYS 39 1.252 -10.589 -6.795 339 HD2 LYS 39 2HD LYS 39 -0.809 -10.773 -8.175 340 HD3 LYS 39 3HD LYS 39 -0.734 -9.042 -8.512 341 HE2 LYS 39 2HE LYS 39 1.323 -11.125 -9.326 342 HE3 LYS 39 3HE LYS 39 0.189 -10.295 -10.395 343 HZ1 LYS 39 3HZ LYS 39 2.327 -9.266 -10.531 344 HZ2 LYS 39 1HZ LYS 39 2.403 -9.053 -8.861 345 HZ3 LYS 39 2HZ LYS 39 1.273 -8.192 -9.772 346 H VAL 40 H VAL 40 -0.315 -7.254 -3.850 347 HA VAL 40 HA VAL 40 -1.874 -8.149 -1.751 348 HB VAL 40 HB VAL 40 -0.118 -5.676 -2.082 349 HG11 VAL 40 1HG1 VAL 40 -1.420 -6.576 0.511 350 HG12 VAL 40 2HG1 VAL 40 -1.737 -5.068 -0.351 351 HG13 VAL 40 3HG1 VAL 40 -0.154 -5.353 0.372 352 HG21 VAL 40 3HG2 VAL 40 1.458 -6.944 -0.645 353 HG22 VAL 40 1HG2 VAL 40 1.037 -7.853 -2.098 354 HG23 VAL 40 2HG2 VAL 40 0.302 -8.274 -0.550 355 H LEU 41 H LEU 41 -2.205 -5.047 -3.532 356 HA LEU 41 HA LEU 41 -4.383 -4.062 -1.993 357 HB2 LEU 41 2HB LEU 41 -3.286 -3.274 -4.709 358 HB3 LEU 41 3HB LEU 41 -4.663 -2.453 -3.995 359 HG LEU 41 HG LEU 41 -1.891 -2.570 -2.735 360 HD11 LEU 41 1HD1 LEU 41 -3.228 -0.288 -4.235 361 HD12 LEU 41 2HD1 LEU 41 -1.874 -1.263 -4.811 362 HD13 LEU 41 3HD1 LEU 41 -1.667 -0.220 -3.408 363 HD21 LEU 41 3HD2 LEU 41 -3.672 -2.333 -1.059 364 HD22 LEU 41 1HD2 LEU 41 -4.350 -0.958 -1.941 365 HD23 LEU 41 2HD2 LEU 41 -2.749 -0.841 -1.202 366 H ASN 42 H ASN 42 -4.278 -5.565 -5.261 367 HA ASN 42 HA ASN 42 -7.040 -5.304 -5.772 368 HB2 ASN 42 2HB ASN 42 -5.359 -5.525 -7.555 369 HB3 ASN 42 3HB ASN 42 -4.989 -7.166 -7.047 370 HD21 ASN 42 1HD2 ASN 42 -7.522 -5.117 -8.381 371 HD22 ASN 42 2HD2 ASN 42 -8.395 -6.387 -9.164 372 H GLU 43 H GLU 43 -5.160 -8.023 -4.430 373 HA GLU 43 HA GLU 43 -7.340 -9.872 -4.269 374 HB2 GLU 43 2HB GLU 43 -4.690 -9.778 -2.769 375 HB3 GLU 43 3HB GLU 43 -5.823 -11.114 -2.659 376 HG2 GLU 43 2HG GLU 43 -4.343 -10.226 -5.156 377 HG3 GLU 43 3HG GLU 43 -3.971 -11.635 -4.168 378 H ARG 44 H ARG 44 -5.886 -7.564 -1.940 379 HA ARG 44 HA ARG 44 -7.495 -8.320 0.280 380 HB2 ARG 44 2HB ARG 44 -5.279 -7.061 0.392 381 HB3 ARG 44 3HB ARG 44 -6.144 -5.612 -0.101 382 HG2 ARG 44 2HG ARG 44 -5.769 -5.711 2.353 383 HG3 ARG 44 3HG ARG 44 -7.490 -5.670 1.953 384 HD2 ARG 44 2HD ARG 44 -7.661 -8.086 2.291 385 HD3 ARG 44 3HD ARG 44 -5.928 -8.202 2.583 386 HE ARG 44 HE ARG 44 -6.488 -6.644 4.575 387 HH11 ARG 44 1HH1 ARG 44 -8.584 -9.195 3.356 388 HH12 ARG 44 2HH1 ARG 44 -9.299 -9.528 4.906 389 HH21 ARG 44 1HH2 ARG 44 -7.310 -7.205 6.648 390 HH22 ARG 44 2HH2 ARG 44 -8.571 -8.394 6.777 391 H MET 45 H MET 45 -7.932 -5.956 -2.277 392 HA MET 45 HA MET 45 -10.298 -4.803 -1.000 393 HB2 MET 45 2HB MET 45 -8.782 -3.994 -3.503 394 HB3 MET 45 3HB MET 45 -10.280 -3.231 -2.998 395 HG2 MET 45 2HG MET 45 -9.088 -2.748 -0.760 396 HG3 MET 45 3HG MET 45 -7.604 -3.179 -1.611 397 HE1 MET 45 3HE MET 45 -10.783 -1.283 -3.072 398 HE2 MET 45 1HE MET 45 -10.298 0.389 -2.792 399 HE3 MET 45 2HE MET 45 -10.632 -0.671 -1.424 400 H ASP 46 H ASP 46 -9.701 -7.363 -3.139 401 HA ASP 46 HA ASP 46 -11.953 -7.293 -4.804 402 HB2 ASP 46 2HB ASP 46 -10.082 -8.897 -5.097 403 HB3 ASP 46 3HB ASP 46 -10.590 -9.774 -3.661 404 HA PRO 47 HA PRO 47 -14.601 -9.476 -1.257 405 HB2 PRO 47 2HB PRO 47 -13.700 -9.222 1.335 406 HB3 PRO 47 3HB PRO 47 -13.289 -10.609 0.305 407 HG2 PRO 47 2HG PRO 47 -11.665 -8.138 0.850 408 HG3 PRO 47 3HG PRO 47 -11.156 -9.843 0.895 409 HD2 PRO 47 2HD PRO 47 -10.631 -8.318 -1.240 410 HD3 PRO 47 3HD PRO 47 -11.093 -10.025 -1.436 411 H ILE 48 H ILE 48 -12.809 -6.493 -0.789 412 HA ILE 48 HA ILE 48 -14.689 -5.105 0.884 413 HB ILE 48 HB ILE 48 -12.399 -4.070 -0.852 414 HG12 ILE 48 2HG1 ILE 48 -11.593 -5.646 0.850 415 HG13 ILE 48 3HG1 ILE 48 -11.060 -4.019 1.236 416 HG21 ILE 48 1HG2 ILE 48 -12.417 -2.033 0.525 417 HG22 ILE 48 2HG2 ILE 48 -13.859 -2.601 1.364 418 HG23 ILE 48 3HG2 ILE 48 -13.929 -2.233 -0.360 419 HD11 ILE 48 3HD1 ILE 48 -13.305 -5.526 2.579 420 HD12 ILE 48 1HD1 ILE 48 -12.800 -3.879 2.969 421 HD13 ILE 48 2HD1 ILE 48 -11.693 -5.225 3.226 422 H LYS 49 H LYS 49 -14.127 -5.362 -2.591 423 HA LYS 49 HA LYS 49 -15.972 -3.342 -3.471 424 HB2 LYS 49 2HB LYS 49 -14.719 -5.744 -4.875 425 HB3 LYS 49 3HB LYS 49 -15.683 -4.522 -5.706 426 HG2 LYS 49 2HG LYS 49 -14.040 -2.826 -5.351 427 HG3 LYS 49 3HG LYS 49 -13.199 -3.784 -4.133 428 HD2 LYS 49 2HD LYS 49 -11.922 -3.735 -6.230 429 HD3 LYS 49 3HD LYS 49 -12.457 -5.374 -5.862 430 HE2 LYS 49 2HE LYS 49 -14.327 -5.086 -7.481 431 HE3 LYS 49 3HE LYS 49 -13.701 -3.482 -7.880 432 HZ1 LYS 49 3HZ LYS 49 -12.984 -5.170 -9.466 433 HZ2 LYS 49 1HZ LYS 49 -12.218 -6.040 -8.233 434 HZ3 LYS 49 2HZ LYS 49 -11.664 -4.501 -8.654 435 H LYS 50 H LYS 50 -16.135 -6.799 -2.774 436 HA LYS 50 HA LYS 50 -18.848 -7.228 -3.530 437 HB2 LYS 50 2HB LYS 50 -17.185 -9.033 -3.352 438 HB3 LYS 50 3HB LYS 50 -17.010 -8.758 -1.632 439 HG2 LYS 50 2HG LYS 50 -19.695 -9.577 -2.767 440 HG3 LYS 50 3HG LYS 50 -18.442 -10.787 -2.530 441 HD2 LYS 50 2HD LYS 50 -19.696 -9.043 -0.370 442 HD3 LYS 50 3HD LYS 50 -19.974 -10.766 -0.622 443 HE2 LYS 50 2HE LYS 50 -17.331 -9.498 0.185 444 HE3 LYS 50 3HE LYS 50 -18.423 -10.385 1.246 445 HZ1 LYS 50 3HZ LYS 50 -18.062 -12.359 -0.087 446 HZ2 LYS 50 1HZ LYS 50 -16.599 -11.765 0.511 447 HZ3 LYS 50 2HZ LYS 50 -17.010 -11.514 -1.108 448 H LEU 51 H LEU 51 -17.291 -6.066 -0.582 449 HA LEU 51 HA LEU 51 -19.606 -6.197 1.123 450 HB2 LEU 51 2HB LEU 51 -17.042 -4.565 1.325 451 HB3 LEU 51 3HB LEU 51 -18.296 -4.521 2.557 452 HG LEU 51 HG LEU 51 -16.727 -7.015 1.771 453 HD11 LEU 51 1HD1 LEU 51 -15.273 -5.390 2.891 454 HD12 LEU 51 2HD1 LEU 51 -15.560 -6.798 3.906 455 HD13 LEU 51 3HD1 LEU 51 -16.404 -5.284 4.244 456 HD21 LEU 51 3HD2 LEU 51 -17.730 -8.037 3.772 457 HD22 LEU 51 1HD2 LEU 51 -18.949 -7.582 2.583 458 HD23 LEU 51 2HD2 LEU 51 -18.711 -6.590 4.024 459 H GLY 52 H GLY 52 -18.270 -3.870 -1.135 460 HA2 GLY 52 2HA GLY 52 -19.592 -2.498 -2.485 461 HA3 GLY 52 3HA GLY 52 -20.893 -2.568 -1.314 462 H CYS 53 H CYS 53 -17.705 -1.854 -0.164 463 HA CYS 53 HA CYS 53 -18.571 0.646 0.912 464 HB2 CYS 53 2HB CYS 53 -15.830 -0.647 0.840 465 HB3 CYS 53 3HB CYS 53 -16.234 0.802 1.766 466 H LYS 54 H LYS 54 -19.004 2.207 -0.503 467 HA LYS 54 HA LYS 54 -17.811 2.909 -2.924 468 HB2 LYS 54 2HB LYS 54 -19.145 4.732 -0.866 469 HB3 LYS 54 3HB LYS 54 -18.903 5.140 -2.559 470 HG2 LYS 54 2HG LYS 54 -20.612 2.823 -1.591 471 HG3 LYS 54 3HG LYS 54 -21.244 4.427 -1.956 472 HD2 LYS 54 2HD LYS 54 -19.837 2.603 -3.946 473 HD3 LYS 54 3HD LYS 54 -21.585 2.817 -3.819 474 HE2 LYS 54 2HE LYS 54 -21.318 5.227 -4.364 475 HE3 LYS 54 3HE LYS 54 -19.578 4.990 -4.528 476 HZ1 LYS 54 3HZ LYS 54 -20.718 4.987 -6.670 477 HZ2 LYS 54 1HZ LYS 54 -21.649 3.658 -6.187 478 HZ3 LYS 54 2HZ LYS 54 -19.977 3.498 -6.369 479 H ARG 55 H ARG 55 -17.332 4.404 0.270 480 HA ARG 55 HA ARG 55 -14.665 5.413 -0.499 481 HB2 ARG 55 2HB ARG 55 -16.061 7.196 0.323 482 HB3 ARG 55 3HB ARG 55 -16.621 6.242 1.687 483 HG2 ARG 55 2HG ARG 55 -15.049 8.037 2.355 484 HG3 ARG 55 3HG ARG 55 -14.456 6.434 2.786 485 HD2 ARG 55 2HD ARG 55 -12.639 7.825 1.927 486 HD3 ARG 55 3HD ARG 55 -12.942 6.473 0.838 487 HE ARG 55 HE ARG 55 -13.970 7.985 -0.712 488 HH11 ARG 55 1HH1 ARG 55 -12.309 9.611 1.943 489 HH12 ARG 55 2HH1 ARG 55 -12.164 11.110 1.079 490 HH21 ARG 55 1HH2 ARG 55 -13.719 9.957 -1.832 491 HH22 ARG 55 2HH2 ARG 55 -12.961 11.300 -1.044 492 H VAL 56 H VAL 56 -12.972 4.351 0.200 493 HA VAL 56 HA VAL 56 -13.050 2.852 2.756 494 HB VAL 56 HB VAL 56 -11.295 1.350 1.843 495 HG11 VAL 56 1HG1 VAL 56 -13.808 1.422 0.132 496 HG12 VAL 56 2HG1 VAL 56 -13.626 0.636 1.702 497 HG13 VAL 56 3HG1 VAL 56 -12.723 0.037 0.312 498 HG21 VAL 56 3HG2 VAL 56 -11.737 2.750 -0.832 499 HG22 VAL 56 1HG2 VAL 56 -10.742 1.312 -0.569 500 HG23 VAL 56 2HG2 VAL 56 -10.280 2.848 0.159 501 H ARG 57 H ARG 57 -11.397 3.282 4.181 502 HA ARG 57 HA ARG 57 -9.283 5.206 3.375 503 HB2 ARG 57 2HB ARG 57 -10.688 6.059 5.201 504 HB3 ARG 57 3HB ARG 57 -10.438 4.589 6.136 505 HG2 ARG 57 2HG ARG 57 -8.063 5.122 6.414 506 HG3 ARG 57 3HG ARG 57 -8.233 6.541 5.379 507 HD2 ARG 57 2HD ARG 57 -9.717 6.182 8.006 508 HD3 ARG 57 3HD ARG 57 -8.179 7.030 7.851 509 HE ARG 57 HE ARG 57 -9.299 8.648 6.400 510 HH11 ARG 57 1HH1 ARG 57 -11.422 6.689 8.428 511 HH12 ARG 57 2HH1 ARG 57 -12.710 7.849 8.382 512 HH21 ARG 57 1HH2 ARG 57 -10.976 10.134 6.361 513 HH22 ARG 57 2HH2 ARG 57 -12.453 9.804 7.208 514 H ILE 58 H ILE 58 -7.600 4.042 2.763 515 HA ILE 58 HA ILE 58 -6.824 1.542 4.136 516 HB ILE 58 HB ILE 58 -5.666 2.665 1.526 517 HG12 ILE 58 2HG1 ILE 58 -7.931 0.624 1.785 518 HG13 ILE 58 3HG1 ILE 58 -8.124 2.287 1.249 519 HG21 ILE 58 1HG2 ILE 58 -4.266 0.990 2.680 520 HG22 ILE 58 2HG2 ILE 58 -4.889 0.343 1.166 521 HG23 ILE 58 3HG2 ILE 58 -5.612 -0.153 2.698 522 HD11 ILE 58 3HD1 ILE 58 -6.744 1.820 -0.714 523 HD12 ILE 58 1HD1 ILE 58 -8.142 0.751 -0.614 524 HD13 ILE 58 2HD1 ILE 58 -6.546 0.148 -0.176 525 H SER 59 H SER 59 -5.390 1.944 5.755 526 HA SER 59 HA SER 59 -3.385 4.090 5.534 527 HB2 SER 59 2HB SER 59 -4.278 2.423 7.944 528 HB3 SER 59 3HB SER 59 -3.136 3.771 7.985 529 HG SER 59 HG SER 59 -5.115 4.874 6.875 530 H ILE 60 H ILE 60 -1.709 3.284 4.410 531 HA ILE 60 HA ILE 60 -0.700 0.555 4.907 532 HB ILE 60 HB ILE 60 -0.090 2.531 2.658 533 HG12 ILE 60 2HG1 ILE 60 -1.602 -0.126 2.624 534 HG13 ILE 60 3HG1 ILE 60 -2.334 1.470 2.507 535 HG21 ILE 60 1HG2 ILE 60 1.251 0.731 1.606 536 HG22 ILE 60 2HG2 ILE 60 1.010 -0.280 3.033 537 HG23 ILE 60 3HG2 ILE 60 1.930 1.220 3.160 538 HD11 ILE 60 3HD1 ILE 60 -1.170 1.815 0.362 539 HD12 ILE 60 1HD1 ILE 60 -2.257 0.427 0.351 540 HD13 ILE 60 2HD1 ILE 60 -0.517 0.178 0.478 541 H ARG 61 H ARG 61 0.790 0.463 6.475 542 HA ARG 61 HA ARG 61 2.802 2.608 6.782 543 HB2 ARG 61 2HB ARG 61 2.032 0.273 8.600 544 HB3 ARG 61 3HB ARG 61 3.382 1.364 8.917 545 HG2 ARG 61 2HG ARG 61 1.779 3.274 8.962 546 HG3 ARG 61 3HG ARG 61 0.452 2.133 8.761 547 HD2 ARG 61 2HD ARG 61 0.891 1.138 10.922 548 HD3 ARG 61 3HD ARG 61 2.394 2.056 11.095 549 HE ARG 61 HE ARG 61 0.232 3.844 10.737 550 HH11 ARG 61 1HH1 ARG 61 1.524 1.691 13.218 551 HH12 ARG 61 2HH1 ARG 61 0.878 2.633 14.530 552 HH21 ARG 61 1HH2 ARG 61 -0.566 5.080 12.469 553 HH22 ARG 61 2HH2 ARG 61 -0.306 4.553 14.103 554 H VAL 62 H VAL 62 4.734 2.305 5.895 555 HA VAL 62 HA VAL 62 5.526 -0.321 4.829 556 HB VAL 62 HB VAL 62 5.692 1.636 3.293 557 HG11 VAL 62 1HG1 VAL 62 7.753 2.777 5.201 558 HG12 VAL 62 2HG1 VAL 62 6.139 3.433 4.907 559 HG13 VAL 62 3HG1 VAL 62 7.337 3.428 3.610 560 HG21 VAL 62 3HG2 VAL 62 8.046 1.357 2.542 561 HG22 VAL 62 1HG2 VAL 62 7.264 -0.178 2.917 562 HG23 VAL 62 2HG2 VAL 62 8.412 0.523 4.056 563 H LYS 63 H LYS 63 7.121 -1.533 5.855 564 HA LYS 63 HA LYS 63 8.177 -0.545 8.382 565 HB2 LYS 63 2HB LYS 63 7.318 -2.919 7.951 566 HB3 LYS 63 3HB LYS 63 8.768 -3.203 7.012 567 HG2 LYS 63 2HG LYS 63 8.861 -2.372 9.928 568 HG3 LYS 63 3HG LYS 63 8.740 -4.061 9.432 569 HD2 LYS 63 2HD LYS 63 10.878 -3.899 8.246 570 HD3 LYS 63 3HD LYS 63 10.984 -2.179 8.620 571 HE2 LYS 63 2HE LYS 63 11.023 -2.819 11.075 572 HE3 LYS 63 3HE LYS 63 11.183 -4.501 10.555 573 HZ1 LYS 63 3HZ LYS 63 13.342 -3.560 10.997 574 HZ2 LYS 63 1HZ LYS 63 13.060 -2.280 9.926 575 HZ3 LYS 63 2HZ LYS 63 13.202 -3.862 9.342 576 H HIS 64 H HIS 64 9.994 0.557 8.492 577 HA HIS 64 HA HIS 64 11.634 1.125 6.205 578 HB2 HIS 64 2HB HIS 64 12.154 1.821 9.127 579 HB3 HIS 64 3HB HIS 64 12.888 2.590 7.725 580 HD1 HIS 64 HD1 HIS 64 10.886 3.654 10.159 581 HD2 HIS 64 HD2 HIS 64 10.212 3.437 6.061 582 HE1 HIS 64 HE1 HIS 64 9.105 5.339 9.682 583 HE2 HIS 64 HE2 HIS 64 8.567 5.035 7.254 584 H SER 65 H SER 65 13.517 0.164 5.655 585 HA SER 65 HA SER 65 14.340 -2.294 6.701 586 HB2 SER 65 2HB SER 65 14.794 -1.602 4.386 587 HB3 SER 65 3HB SER 65 15.887 -0.341 4.952 588 HG SER 65 HG SER 65 17.376 -1.809 5.417 589 H ASP 66 H ASP 66 15.668 0.978 7.204 590 HA ASP 66 HA ASP 66 16.844 0.254 9.765 591 HB2 ASP 66 2HB ASP 66 18.635 -0.436 8.223 592 HB3 ASP 66 3HB ASP 66 18.596 1.121 7.416 593 H ALA 67 H ALA 67 17.798 2.172 10.860 594 HA ALA 67 HA ALA 67 16.074 4.336 11.035 595 HB1 ALA 67 3HB ALA 67 17.723 5.298 12.588 596 HB2 ALA 67 1HB ALA 67 18.948 4.166 12.000 597 HB3 ALA 67 2HB ALA 67 17.532 3.566 12.862 598 H ALA 68 H ALA 68 19.320 4.244 9.506 599 HA ALA 68 HA ALA 68 19.279 6.962 8.586 600 HB1 ALA 68 3HB ALA 68 21.262 6.332 7.258 601 HB2 ALA 68 1HB ALA 68 20.973 4.628 7.632 602 HB3 ALA 68 2HB ALA 68 21.386 5.759 8.920 603 H GLU 69 H GLU 69 18.197 3.904 7.287 604 HA GLU 69 HA GLU 69 17.783 4.775 4.570 605 HB2 GLU 69 2HB GLU 69 16.831 2.280 6.034 606 HB3 GLU 69 3HB GLU 69 16.586 2.577 4.314 607 HG2 GLU 69 2HG GLU 69 19.089 2.706 4.054 608 HG3 GLU 69 3HG GLU 69 19.229 2.202 5.739 609 H GLU 70 H GLU 70 15.941 5.214 7.441 610 HA GLU 70 HA GLU 70 13.315 4.793 6.638 611 HB2 GLU 70 2HB GLU 70 14.342 6.923 8.568 612 HB3 GLU 70 3HB GLU 70 12.645 6.489 8.385 613 HG2 GLU 70 2HG GLU 70 13.206 4.175 9.094 614 HG3 GLU 70 3HG GLU 70 14.862 4.686 9.377 615 H LYS 71 H LYS 71 15.125 7.861 6.475 616 HA LYS 71 HA LYS 71 13.001 9.412 5.397 617 HB2 LYS 71 2HB LYS 71 16.001 9.974 5.313 618 HB3 LYS 71 3HB LYS 71 14.718 11.163 5.080 619 HG2 LYS 71 2HG LYS 71 13.969 10.831 7.403 620 HG3 LYS 71 3HG LYS 71 15.219 9.606 7.638 621 HD2 LYS 71 2HD LYS 71 16.957 11.363 7.181 622 HD3 LYS 71 3HD LYS 71 15.668 12.568 7.086 623 HE2 LYS 71 2HE LYS 71 16.360 10.882 9.518 624 HE3 LYS 71 3HE LYS 71 16.740 12.588 9.297 625 HZ1 LYS 71 3HZ LYS 71 13.997 11.457 9.409 626 HZ2 LYS 71 1HZ LYS 71 14.399 13.096 9.293 627 HZ3 LYS 71 2HZ LYS 71 14.785 12.225 10.694 628 H LYS 72 H LYS 72 15.826 7.847 3.930 629 HA LYS 72 HA LYS 72 15.515 8.795 1.284 630 HB2 LYS 72 2HB LYS 72 17.635 7.860 2.114 631 HB3 LYS 72 3HB LYS 72 16.891 6.281 2.346 632 HG2 LYS 72 2HG LYS 72 16.596 6.021 -0.064 633 HG3 LYS 72 3HG LYS 72 17.220 7.645 -0.352 634 HD2 LYS 72 2HD LYS 72 18.799 5.322 0.831 635 HD3 LYS 72 3HD LYS 72 18.901 5.884 -0.839 636 HE2 LYS 72 2HE LYS 72 19.686 7.466 1.633 637 HE3 LYS 72 3HE LYS 72 20.788 6.736 0.468 638 HZ1 LYS 72 3HZ LYS 72 20.586 9.048 -0.004 639 HZ2 LYS 72 1HZ LYS 72 18.896 8.963 -0.042 640 HZ3 LYS 72 2HZ LYS 72 19.807 8.197 -1.234 641 H GLU 73 H GLU 73 14.704 5.623 2.695 642 HA GLU 73 HA GLU 73 13.525 4.650 0.285 643 HB2 GLU 73 2HB GLU 73 13.636 3.437 3.076 644 HB3 GLU 73 3HB GLU 73 12.991 2.612 1.660 645 HG2 GLU 73 2HG GLU 73 15.843 3.505 2.111 646 HG3 GLU 73 3HG GLU 73 15.235 1.853 2.060 647 H ALA 74 H ALA 74 12.149 6.330 3.055 648 HA ALA 74 HA ALA 74 9.454 5.406 2.631 649 HB1 ALA 74 3HB ALA 74 10.116 6.408 4.782 650 HB2 ALA 74 1HB ALA 74 8.759 7.276 4.064 651 HB3 ALA 74 2HB ALA 74 10.387 7.961 3.991 652 H LYS 75 H LYS 75 11.302 8.277 1.654 653 HA LYS 75 HA LYS 75 9.375 9.509 0.006 654 HB2 LYS 75 2HB LYS 75 11.412 10.631 0.888 655 HB3 LYS 75 3HB LYS 75 12.420 9.648 -0.168 656 HG2 LYS 75 2HG LYS 75 11.398 10.714 -2.150 657 HG3 LYS 75 3HG LYS 75 10.354 11.677 -1.099 658 HD2 LYS 75 2HD LYS 75 12.373 12.761 -0.112 659 HD3 LYS 75 3HD LYS 75 13.398 11.812 -1.194 660 HE2 LYS 75 2HE LYS 75 11.329 13.864 -2.059 661 HE3 LYS 75 3HE LYS 75 13.076 14.099 -2.036 662 HZ1 LYS 75 3HZ LYS 75 12.289 13.574 -4.248 663 HZ2 LYS 75 1HZ LYS 75 11.617 12.123 -3.700 664 HZ3 LYS 75 2HZ LYS 75 13.292 12.341 -3.676 665 H LYS 76 H LYS 76 11.820 7.037 -0.729 666 HA LYS 76 HA LYS 76 11.389 6.955 -3.570 667 HB2 LYS 76 2HB LYS 76 12.661 4.950 -1.655 668 HB3 LYS 76 3HB LYS 76 12.632 4.730 -3.407 669 HG2 LYS 76 2HG LYS 76 13.968 6.729 -3.734 670 HG3 LYS 76 3HG LYS 76 13.879 7.114 -2.018 671 HD2 LYS 76 2HD LYS 76 16.058 6.216 -2.431 672 HD3 LYS 76 3HD LYS 76 15.151 5.000 -1.535 673 HE2 LYS 76 2HE LYS 76 15.466 4.914 -4.549 674 HE3 LYS 76 3HE LYS 76 16.612 4.163 -3.443 675 HZ1 LYS 76 3HZ LYS 76 14.659 2.920 -2.508 676 HZ2 LYS 76 1HZ LYS 76 15.117 2.494 -4.080 677 HZ3 LYS 76 2HZ LYS 76 13.762 3.466 -3.834 678 H PHE 77 H PHE 77 10.130 5.097 -0.810 679 HA PHE 77 HA PHE 77 8.648 3.242 -2.455 680 HB2 PHE 77 2HB PHE 77 9.688 2.934 0.017 681 HB3 PHE 77 3HB PHE 77 8.084 3.456 0.511 682 HD1 PHE 77 HD1 PHE 77 10.013 0.849 -1.299 683 HD2 PHE 77 HD2 PHE 77 6.178 1.949 0.261 684 HE1 PHE 77 HE1 PHE 77 9.200 -1.463 -1.618 685 HE2 PHE 77 HE2 PHE 77 5.385 -0.358 -0.057 686 HZ PHE 77 HZ PHE 77 6.892 -2.055 -0.990 687 H ALA 78 H ALA 78 8.113 6.319 -1.023 688 HA ALA 78 HA ALA 78 5.303 6.512 -1.085 689 HB1 ALA 78 3HB ALA 78 6.734 8.256 -0.100 690 HB2 ALA 78 1HB ALA 78 5.650 8.943 -1.311 691 HB3 ALA 78 2HB ALA 78 7.353 8.677 -1.697 692 H ALA 79 H ALA 79 7.771 7.091 -3.588 693 HA ALA 79 HA ALA 79 5.949 7.676 -5.723 694 HB1 ALA 79 3HB ALA 79 8.255 8.537 -5.684 695 HB2 ALA 79 1HB ALA 79 7.956 7.600 -7.149 696 HB3 ALA 79 2HB ALA 79 8.886 6.896 -5.821 697 H ILE 80 H ILE 80 7.568 4.715 -4.565 698 HA ILE 80 HA ILE 80 6.886 2.964 -6.680 699 HB ILE 80 HB ILE 80 7.279 2.326 -3.715 700 HG12 ILE 80 2HG1 ILE 80 9.310 3.245 -4.703 701 HG13 ILE 80 3HG1 ILE 80 9.545 1.532 -4.420 702 HG21 ILE 80 1HG2 ILE 80 7.212 0.354 -6.026 703 HG22 ILE 80 2HG2 ILE 80 5.995 0.509 -4.759 704 HG23 ILE 80 3HG2 ILE 80 7.624 -0.026 -4.352 705 HD11 ILE 80 3HD1 ILE 80 10.525 2.165 -6.507 706 HD12 ILE 80 1HD1 ILE 80 9.008 2.860 -7.079 707 HD13 ILE 80 2HD1 ILE 80 9.147 1.116 -6.825 708 H LEU 81 H LEU 81 5.231 3.589 -3.561 709 HA LEU 81 HA LEU 81 2.979 1.955 -3.958 710 HB2 LEU 81 2HB LEU 81 3.557 4.325 -2.143 711 HB3 LEU 81 3HB LEU 81 1.939 3.647 -2.192 712 HG LEU 81 HG LEU 81 4.426 2.054 -1.434 713 HD11 LEU 81 1HD1 LEU 81 3.635 2.189 0.891 714 HD12 LEU 81 2HD1 LEU 81 2.313 3.252 0.398 715 HD13 LEU 81 3HD1 LEU 81 3.986 3.790 0.243 716 HD21 LEU 81 3HD2 LEU 81 1.475 1.336 -1.245 717 HD22 LEU 81 1HD2 LEU 81 2.815 0.366 -0.621 718 HD23 LEU 81 2HD2 LEU 81 2.660 0.637 -2.353 719 H ASN 82 H ASN 82 3.587 5.383 -4.652 720 HA ASN 82 HA ASN 82 0.928 6.126 -5.325 721 HB2 ASN 82 2HB ASN 82 2.693 7.756 -4.642 722 HB3 ASN 82 3HB ASN 82 3.546 7.470 -6.154 723 HD21 ASN 82 1HD2 ASN 82 3.394 9.717 -6.590 724 HD22 ASN 82 2HD2 ASN 82 1.920 10.442 -7.130 725 H LYS 83 H LYS 83 3.628 4.863 -7.231 726 HA LYS 83 HA LYS 83 2.293 5.059 -9.763 727 HB2 LYS 83 2HB LYS 83 4.799 3.648 -8.816 728 HB3 LYS 83 3HB LYS 83 4.125 3.242 -10.391 729 HG2 LYS 83 2HG LYS 83 4.982 6.024 -9.519 730 HG3 LYS 83 3HG LYS 83 5.901 4.938 -10.570 731 HD2 LYS 83 2HD LYS 83 4.049 4.981 -12.228 732 HD3 LYS 83 3HD LYS 83 3.143 6.082 -11.184 733 HE2 LYS 83 2HE LYS 83 4.202 7.343 -12.952 734 HE3 LYS 83 3HE LYS 83 4.983 7.753 -11.425 735 HZ1 LYS 83 3HZ LYS 83 6.627 7.454 -13.116 736 HZ2 LYS 83 1HZ LYS 83 6.026 5.926 -13.526 737 HZ3 LYS 83 2HZ LYS 83 6.761 6.172 -12.023 738 H VAL 84 H VAL 84 2.437 2.542 -7.253 739 HA VAL 84 HA VAL 84 1.177 0.457 -8.745 740 HB VAL 84 HB VAL 84 1.351 0.929 -5.725 741 HG11 VAL 84 1HG1 VAL 84 -0.576 -0.531 -6.179 742 HG12 VAL 84 2HG1 VAL 84 0.728 -1.448 -5.436 743 HG13 VAL 84 3HG1 VAL 84 0.427 -1.592 -7.167 744 HG21 VAL 84 3HG2 VAL 84 3.516 0.588 -6.846 745 HG22 VAL 84 1HG2 VAL 84 2.933 -0.921 -7.551 746 HG23 VAL 84 2HG2 VAL 84 3.127 -0.775 -5.802 747 H PHE 85 H PHE 85 0.000 3.026 -6.683 748 HA PHE 85 HA PHE 85 -2.761 2.473 -6.764 749 HB2 PHE 85 2HB PHE 85 -1.326 5.147 -6.446 750 HB3 PHE 85 3HB PHE 85 -3.048 4.913 -6.171 751 HD1 PHE 85 HD1 PHE 85 -3.086 2.300 -4.713 752 HD2 PHE 85 HD2 PHE 85 -0.468 5.652 -4.277 753 HE1 PHE 85 HE1 PHE 85 -2.613 1.649 -2.384 754 HE2 PHE 85 HE2 PHE 85 -0.003 4.988 -1.961 755 HZ PHE 85 HZ PHE 85 -1.071 2.988 -1.014 756 H ALA 86 H ALA 86 -0.683 4.383 -8.942 757 HA ALA 86 HA ALA 86 -2.742 5.095 -10.804 758 HB1 ALA 86 3HB ALA 86 0.276 4.984 -11.194 759 HB2 ALA 86 1HB ALA 86 -0.652 6.372 -10.627 760 HB3 ALA 86 2HB ALA 86 -0.875 5.781 -12.273 761 H GLU 87 H GLU 87 -0.699 2.250 -10.413 762 HA GLU 87 HA GLU 87 -0.992 1.027 -12.960 763 HB2 GLU 87 2HB GLU 87 -0.448 -0.151 -10.199 764 HB3 GLU 87 3HB GLU 87 -0.507 -1.148 -11.639 765 HG2 GLU 87 2HG GLU 87 1.458 1.121 -11.250 766 HG3 GLU 87 3HG GLU 87 1.790 -0.555 -10.831 767 H LEU 88 H LEU 88 -3.098 1.183 -10.133 768 HA LEU 88 HA LEU 88 -4.801 -1.006 -11.169 769 HB2 LEU 88 2HB LEU 88 -4.503 0.012 -8.317 770 HB3 LEU 88 3HB LEU 88 -5.594 -1.267 -8.827 771 HG LEU 88 HG LEU 88 -2.552 -1.371 -8.810 772 HD11 LEU 88 1HD1 LEU 88 -2.859 -3.171 -7.169 773 HD12 LEU 88 2HD1 LEU 88 -4.606 -2.938 -7.224 774 HD13 LEU 88 3HD1 LEU 88 -3.560 -1.654 -6.611 775 HD21 LEU 88 3HD2 LEU 88 -2.736 -3.703 -9.606 776 HD22 LEU 88 1HD2 LEU 88 -3.335 -2.553 -10.800 777 HD23 LEU 88 2HD2 LEU 88 -4.475 -3.490 -9.831 778 H GLY 89 H GLY 89 -4.708 2.354 -10.851 779 HA2 GLY 89 2HA GLY 89 -6.332 3.765 -11.800 780 HA3 GLY 89 3HA GLY 89 -7.557 2.532 -11.560 781 H TYR 90 H TYR 90 -5.290 4.201 -9.409 782 HA TYR 90 HA TYR 90 -7.529 5.402 -7.881 783 HB2 TYR 90 2HB TYR 90 -4.695 4.867 -6.865 784 HB3 TYR 90 3HB TYR 90 -5.998 5.599 -5.944 785 HD1 TYR 90 HD1 TYR 90 -4.739 2.418 -7.392 786 HD2 TYR 90 HD2 TYR 90 -7.619 4.182 -4.769 787 HE1 TYR 90 HE1 TYR 90 -5.245 0.207 -6.471 788 HE2 TYR 90 HE2 TYR 90 -8.129 1.944 -3.856 789 HH TYR 90 HH TYR 90 -7.924 -0.375 -4.416 790 H ASN 91 H ASN 91 -7.331 7.634 -7.513 791 HA ASN 91 HA ASN 91 -5.722 9.145 -9.373 792 HB2 ASN 91 2HB ASN 91 -7.542 10.083 -7.105 793 HB3 ASN 91 3HB ASN 91 -6.886 11.112 -8.379 794 HD21 ASN 91 1HD2 ASN 91 -7.807 10.995 -10.455 795 HD22 ASN 91 2HD2 ASN 91 -9.266 10.134 -10.783 796 H ASP 92 H ASP 92 -4.224 10.870 -8.740 797 HA ASP 92 HA ASP 92 -2.278 10.153 -6.814 798 HB2 ASP 92 2HB ASP 92 -1.838 11.513 -8.876 799 HB3 ASP 92 3HB ASP 92 -2.745 12.852 -8.183 800 H SER 93 H SER 93 -4.942 12.434 -6.811 801 HA SER 93 HA SER 93 -4.747 13.799 -4.459 802 HB2 SER 93 2HB SER 93 -7.291 12.593 -5.608 803 HB3 SER 93 3HB SER 93 -7.192 14.011 -4.556 804 HG SER 93 HG SER 93 -6.139 15.120 -6.178 805 H ASN 94 H ASN 94 -5.767 10.439 -4.857 806 HA ASN 94 HA ASN 94 -6.874 9.867 -2.343 807 HB2 ASN 94 2HB ASN 94 -5.307 8.001 -4.193 808 HB3 ASN 94 3HB ASN 94 -6.325 7.477 -2.852 809 HD21 ASN 94 1HD2 ASN 94 -7.420 6.198 -4.460 810 HD22 ASN 94 2HD2 ASN 94 -8.628 6.911 -5.471 811 H VAL 95 H VAL 95 -3.523 10.078 -3.387 812 HA VAL 95 HA VAL 95 -2.428 8.528 -1.176 813 HB VAL 95 HB VAL 95 -0.908 10.062 -3.353 814 HG11 VAL 95 1HG1 VAL 95 0.905 8.444 -2.943 815 HG12 VAL 95 2HG1 VAL 95 -0.057 7.652 -1.695 816 HG13 VAL 95 3HG1 VAL 95 0.491 9.313 -1.464 817 HG21 VAL 95 3HG2 VAL 95 -0.877 7.985 -4.695 818 HG22 VAL 95 1HG2 VAL 95 -2.518 8.596 -4.466 819 HG23 VAL 95 2HG2 VAL 95 -1.953 7.214 -3.527 820 H THR 96 H THR 96 -2.393 9.675 0.766 821 HA THR 96 HA THR 96 -0.815 12.186 0.806 822 HB THR 96 HB THR 96 -3.371 11.737 2.436 823 HG1 THR 96 HG1 THR 96 -3.545 12.289 0.077 824 HG21 THR 96 3HG2 THR 96 -1.673 13.110 3.638 825 HG22 THR 96 1HG2 THR 96 -3.075 14.070 3.168 826 HG23 THR 96 2HG2 THR 96 -1.576 14.198 2.250 827 H TRP 97 H TRP 97 0.977 11.680 1.936 828 HA TRP 97 HA TRP 97 1.067 9.611 3.963 829 HB2 TRP 97 2HB TRP 97 3.160 11.534 2.876 830 HB3 TRP 97 3HB TRP 97 3.493 10.488 4.251 831 HD1 TRP 97 HD1 TRP 97 2.634 10.197 0.462 832 HE1 TRP 97 HE1 TRP 97 3.514 7.931 -0.380 833 HE3 TRP 97 HE3 TRP 97 4.251 8.211 4.911 834 HZ2 TRP 97 HZ2 TRP 97 4.752 5.630 0.673 835 HZ3 TRP 97 HZ3 TRP 97 5.273 5.968 4.896 836 HH2 TRP 97 HH2 TRP 97 5.516 4.705 2.817 837 H ASP 98 H ASP 98 0.455 9.934 5.969 838 HA ASP 98 HA ASP 98 0.795 12.506 7.375 839 HB2 ASP 98 2HB ASP 98 -0.759 9.959 8.090 840 HB3 ASP 98 3HB ASP 98 -0.534 11.307 9.208 841 H GLY 99 H GLY 99 3.035 12.425 7.584 842 HA2 GLY 99 2HA GLY 99 5.058 11.922 8.522 843 HA3 GLY 99 3HA GLY 99 4.192 10.970 9.720 844 H ASP 100 H ASP 100 4.191 8.764 9.547 845 HA ASP 100 HA ASP 100 5.863 7.571 7.407 846 HB2 ASP 100 2HB ASP 100 5.295 6.627 10.250 847 HB3 ASP 100 3HB ASP 100 6.263 5.737 9.081 848 H THR 101 H THR 101 2.644 7.793 8.374 849 HA THR 101 HA THR 101 1.888 5.186 7.156 850 HB THR 101 HB THR 101 0.199 7.036 8.925 851 HG1 THR 101 HG1 THR 101 2.039 5.905 9.952 852 HG21 THR 101 3HG2 THR 101 -1.350 5.124 9.091 853 HG22 THR 101 1HG2 THR 101 -0.339 4.174 7.999 854 HG23 THR 101 2HG2 THR 101 -1.169 5.617 7.410 855 H VAL 102 H VAL 102 0.913 5.328 5.126 856 HA VAL 102 HA VAL 102 0.104 8.013 4.191 857 HB VAL 102 HB VAL 102 1.677 6.843 2.705 858 HG11 VAL 102 1HG1 VAL 102 -0.406 4.689 2.303 859 HG12 VAL 102 2HG1 VAL 102 1.147 4.505 3.118 860 HG13 VAL 102 3HG1 VAL 102 1.098 4.860 1.390 861 HG21 VAL 102 3HG2 VAL 102 0.442 7.125 0.569 862 HG22 VAL 102 1HG2 VAL 102 0.131 8.438 1.707 863 HG23 VAL 102 2HG2 VAL 102 -1.076 7.175 1.468 864 H THR 103 H THR 103 -1.967 8.527 4.355 865 HA THR 103 HA THR 103 -4.062 6.504 4.664 866 HB THR 103 HB THR 103 -4.210 9.552 4.919 867 HG1 THR 103 HG1 THR 103 -3.196 9.159 6.720 868 HG21 THR 103 3HG2 THR 103 -6.328 9.146 6.125 869 HG22 THR 103 1HG2 THR 103 -6.189 7.414 5.813 870 HG23 THR 103 2HG2 THR 103 -6.421 8.540 4.472 871 H VAL 104 H VAL 104 -4.492 5.745 2.692 872 HA VAL 104 HA VAL 104 -4.921 7.532 0.385 873 HB VAL 104 HB VAL 104 -4.596 4.485 0.455 874 HG11 VAL 104 1HG1 VAL 104 -5.913 5.213 -1.493 875 HG12 VAL 104 2HG1 VAL 104 -4.329 4.634 -2.004 876 HG13 VAL 104 3HG1 VAL 104 -4.657 6.369 -1.945 877 HG21 VAL 104 3HG2 VAL 104 -2.342 4.847 -0.442 878 HG22 VAL 104 1HG2 VAL 104 -2.523 5.632 1.124 879 HG23 VAL 104 2HG2 VAL 104 -2.560 6.594 -0.356 880 H GLU 105 H GLU 105 -7.012 8.158 0.320 881 HA GLU 105 HA GLU 105 -9.142 6.227 1.000 882 HB2 GLU 105 2HB GLU 105 -9.252 9.256 0.667 883 HB3 GLU 105 3HB GLU 105 -10.641 8.226 1.010 884 HG2 GLU 105 2HG GLU 105 -9.460 7.491 3.136 885 HG3 GLU 105 3HG GLU 105 -8.244 8.721 2.799 886 H GLY 106 H GLY 106 -9.890 5.126 -0.644 887 HA2 GLY 106 2HA GLY 106 -9.685 6.210 -3.408 888 HA3 GLY 106 3HA GLY 106 -9.432 4.527 -2.968 889 H GLN 107 H GLN 107 -11.279 5.707 -4.872 890 HA GLN 107 HA GLN 107 -13.824 4.605 -3.838 891 HB2 GLN 107 2HB GLN 107 -14.886 5.613 -5.826 892 HB3 GLN 107 3HB GLN 107 -14.067 6.824 -4.850 893 HG2 GLN 107 2HG GLN 107 -12.261 6.990 -6.444 894 HG3 GLN 107 3HG GLN 107 -12.876 5.613 -7.356 895 HE21 GLN 107 1HE2 GLN 107 -14.713 5.895 -8.671 896 HE22 GLN 107 2HE2 GLN 107 -15.261 7.460 -9.153 897 H LEU 108 H LEU 108 -14.873 2.997 -5.018 898 HA LEU 108 HA LEU 108 -13.621 1.692 -7.272 899 HB2 LEU 108 2HB LEU 108 -13.605 -0.590 -6.200 900 HB3 LEU 108 3HB LEU 108 -12.369 0.495 -5.629 901 HG LEU 108 HG LEU 108 -13.143 -0.897 -3.806 902 HD11 LEU 108 1HD1 LEU 108 -13.730 0.723 -2.087 903 HD12 LEU 108 2HD1 LEU 108 -14.144 1.909 -3.327 904 HD13 LEU 108 3HD1 LEU 108 -12.480 1.351 -3.162 905 HD21 LEU 108 3HD2 LEU 108 -15.959 0.151 -4.199 906 HD22 LEU 108 1HD2 LEU 108 -15.411 -0.925 -2.910 907 HD23 LEU 108 2HD2 LEU 108 -15.392 -1.475 -4.584 908 H GLU 109 H GLU 109 -15.041 -0.226 -8.003 909 HA GLU 109 HA GLU 109 -17.787 0.672 -8.055 910 HB2 GLU 109 2HB GLU 109 -16.614 -0.275 -10.089 911 HB3 GLU 109 3HB GLU 109 -16.623 -1.854 -9.312 912 HG2 GLU 109 2HG GLU 109 -18.444 -1.690 -10.926 913 HG3 GLU 109 3HG GLU 109 -19.084 -1.842 -9.290 914 H GLY 110 H GLY 110 -18.207 0.488 -5.827 915 HA2 GLY 110 2HA GLY 110 -18.204 -2.093 -4.491 916 HA3 GLY 110 3HA GLY 110 -18.693 -0.544 -3.819 917 H VAL 111 H VAL 111 -19.753 -3.438 -5.335 918 HA VAL 111 HA VAL 111 -22.397 -2.638 -6.082 919 HB VAL 111 HB VAL 111 -21.449 -5.440 -5.336 920 HG11 VAL 111 1HG1 VAL 111 -23.828 -4.569 -7.018 921 HG12 VAL 111 2HG1 VAL 111 -23.894 -5.263 -5.397 922 HG13 VAL 111 3HG1 VAL 111 -23.317 -6.239 -6.747 923 HG21 VAL 111 3HG2 VAL 111 -21.048 -5.793 -7.759 924 HG22 VAL 111 1HG2 VAL 111 -20.011 -4.524 -7.103 925 HG23 VAL 111 2HG2 VAL 111 -21.426 -4.095 -8.067 926 H ASP 112 H ASP 112 -23.899 -1.992 -4.701 927 HA ASP 112 HA ASP 112 -23.651 -2.246 -1.868 928 HB2 ASP 112 2HB ASP 112 -24.659 -0.275 -3.094 929 HB3 ASP 112 3HB ASP 112 -26.045 -1.287 -3.478 930 H LEU 113 H LEU 113 -23.971 -4.192 -0.971 931 HA LEU 113 HA LEU 113 -26.233 -5.919 -1.779 932 HB2 LEU 113 2HB LEU 113 -23.851 -6.446 0.051 933 HB3 LEU 113 3HB LEU 113 -25.108 -7.619 -0.310 934 HG LEU 113 HG LEU 113 -23.069 -6.486 -2.266 935 HD11 LEU 113 1HD1 LEU 113 -22.162 -8.192 -0.771 936 HD12 LEU 113 2HD1 LEU 113 -22.263 -8.797 -2.422 937 HD13 LEU 113 3HD1 LEU 113 -23.455 -9.309 -1.222 938 HD21 LEU 113 3HD2 LEU 113 -25.355 -8.401 -2.855 939 HD22 LEU 113 1HD2 LEU 113 -24.049 -7.983 -3.970 940 HD23 LEU 113 2HD2 LEU 113 -25.189 -6.747 -3.452 941 H GLU 114 H GLU 114 -26.101 -3.329 0.016 942 HA GLU 114 HA GLU 114 -27.047 -4.282 2.585 943 HB2 GLU 114 2HB GLU 114 -26.793 -1.447 1.489 944 HB3 GLU 114 3HB GLU 114 -27.274 -1.854 3.138 945 HG2 GLU 114 2HG GLU 114 -25.063 -3.028 3.421 946 HG3 GLU 114 3HG GLU 114 -24.602 -2.429 1.832 947 H HIS 115 H HIS 115 -28.971 -5.215 2.498 948 HA HIS 115 HA HIS 115 -31.263 -4.270 1.050 949 HB2 HIS 115 2HB HIS 115 -31.067 -6.208 3.399 950 HB3 HIS 115 3HB HIS 115 -32.520 -5.943 2.439 951 HD1 HIS 115 HD1 HIS 115 -30.620 -8.636 2.773 952 HD2 HIS 115 HD2 HIS 115 -31.074 -6.183 -0.557 953 HE1 HIS 115 HE1 HIS 115 -30.010 -10.056 0.794 954 HE2 HIS 115 HE2 HIS 115 -30.080 -8.482 -1.167 955 H HIS 116 H HIS 116 -33.367 -3.902 2.482 956 HA HIS 116 HA HIS 116 -34.564 -2.191 3.374 957 HB2 HIS 116 2HB HIS 116 -32.246 -1.770 5.316 958 HB3 HIS 116 3HB HIS 116 -33.883 -1.157 5.506 959 HD1 HIS 116 HD1 HIS 116 -35.555 -2.698 6.635 960 HD2 HIS 116 HD2 HIS 116 -31.995 -4.632 5.702 961 HE1 HIS 116 HE1 HIS 116 -35.669 -4.925 7.794 962 HE2 HIS 116 HE2 HIS 116 -33.470 -6.029 7.293 963 H HIS 117 H HIS 117 -33.170 -1.767 1.104 964 HA HIS 117 HA HIS 117 -31.204 0.293 1.164 965 HB2 HIS 117 2HB HIS 117 -31.267 -1.591 -0.473 966 HB3 HIS 117 3HB HIS 117 -32.694 -0.889 -1.219 967 HD1 HIS 117 HD1 HIS 117 -28.978 -0.382 -0.870 968 HD2 HIS 117 HD2 HIS 117 -32.170 1.192 -3.020 969 HE1 HIS 117 HE1 HIS 117 -27.960 1.084 -2.636 970 HE2 HIS 117 HE2 HIS 117 -29.906 2.083 -3.868 971 H HIS 118 H HIS 118 -34.598 0.554 1.286 972 HA HIS 118 HA HIS 118 -35.060 2.933 -0.197 973 HB2 HIS 118 2HB HIS 118 -36.533 1.837 2.231 974 HB3 HIS 118 3HB HIS 118 -37.079 3.241 1.316 975 HD1 HIS 118 HD1 HIS 118 -38.509 2.775 -0.696 976 HD2 HIS 118 HD2 HIS 118 -36.582 -0.650 0.648 977 HE1 HIS 118 HE1 HIS 118 -39.514 0.884 -2.002 978 HE2 HIS 118 HE2 HIS 118 -38.209 -1.142 -1.300 979 H HIS 119 H HIS 119 -33.453 2.418 2.831 980 HA HIS 119 HA HIS 119 -33.021 5.347 3.105 981 HB2 HIS 119 2HB HIS 119 -32.538 5.072 5.449 982 HB3 HIS 119 3HB HIS 119 -34.030 4.198 5.153 983 HD1 HIS 119 HD1 HIS 119 -30.311 3.477 5.610 984 HD2 HIS 119 HD2 HIS 119 -33.985 1.586 6.057 985 HE1 HIS 119 HE1 HIS 119 -29.808 1.287 6.714 986 HE2 HIS 119 HE2 HIS 119 -32.020 0.104 6.847 987 H HIS 120 H HIS 120 -30.839 6.043 3.487 988 HA HIS 120 HA HIS 120 -28.688 4.044 3.027 989 HB2 HIS 120 2HB HIS 120 -28.778 5.762 1.226 990 HB3 HIS 120 3HB HIS 120 -28.640 7.046 2.423 991 HD1 HIS 120 HD1 HIS 120 -26.281 7.393 3.528 992 HD2 HIS 120 HD2 HIS 120 -26.354 4.448 0.585 993 HE1 HIS 120 HE1 HIS 120 -23.872 6.887 3.013 994 HE2 HIS 120 HE2 HIS 120 -23.941 5.194 1.158 Start of MODEL 11 1 H1 MET 1 1H MET 1 20.508 0.493 1.711 2 H2 MET 1 2H MET 1 21.954 -0.221 2.201 3 H3 MET 1 3H MET 1 20.490 -0.791 2.808 4 HA MET 1 HA MET 1 21.379 -0.921 -0.005 5 HB2 MET 1 2HB MET 1 21.034 -3.152 2.052 6 HB3 MET 1 3HB MET 1 21.445 -3.387 0.355 7 HG2 MET 1 2HG MET 1 23.430 -3.600 1.718 8 HG3 MET 1 3HG MET 1 23.560 -2.160 0.708 9 HE1 MET 1 3HE MET 1 25.456 -1.147 4.036 10 HE2 MET 1 1HE MET 1 25.591 -1.246 2.281 11 HE3 MET 1 2HE MET 1 25.446 -2.722 3.240 12 H SER 2 H SER 2 19.630 -0.700 -1.289 13 HA SER 2 HA SER 2 16.929 -1.345 -0.582 14 HB2 SER 2 2HB SER 2 18.170 -1.042 -3.367 15 HB3 SER 2 3HB SER 2 16.444 -0.964 -2.975 16 HG SER 2 HG SER 2 17.456 0.767 -1.394 17 H GLY 3 H GLY 3 16.584 -3.413 0.020 18 HA2 GLY 3 2HA GLY 3 16.224 -5.561 -1.612 19 HA3 GLY 3 3HA GLY 3 17.907 -5.710 -1.106 20 H LYS 4 H LYS 4 14.924 -4.662 0.495 21 HA LYS 4 HA LYS 4 15.811 -6.010 2.962 22 HB2 LYS 4 2HB LYS 4 13.672 -3.867 2.623 23 HB3 LYS 4 3HB LYS 4 14.390 -4.419 4.136 24 HG2 LYS 4 2HG LYS 4 16.539 -3.403 3.513 25 HG3 LYS 4 3HG LYS 4 15.876 -2.934 1.939 26 HD2 LYS 4 2HD LYS 4 14.152 -1.550 3.163 27 HD3 LYS 4 3HD LYS 4 14.998 -1.918 4.670 28 HE2 LYS 4 2HE LYS 4 16.171 -0.447 2.284 29 HE3 LYS 4 3HE LYS 4 15.630 0.298 3.788 30 HZ1 LYS 4 3HZ LYS 4 18.000 0.042 3.781 31 HZ2 LYS 4 1HZ LYS 4 17.874 -1.619 3.492 32 HZ3 LYS 4 2HZ LYS 4 17.341 -0.972 4.960 33 H LYS 5 H LYS 5 14.383 -7.309 4.131 34 HA LYS 5 HA LYS 5 11.894 -8.221 2.958 35 HB2 LYS 5 2HB LYS 5 13.333 -9.703 4.392 36 HB3 LYS 5 3HB LYS 5 13.052 -8.644 5.761 37 HG2 LYS 5 2HG LYS 5 10.730 -10.025 4.366 38 HG3 LYS 5 3HG LYS 5 11.692 -10.875 5.571 39 HD2 LYS 5 2HD LYS 5 10.060 -8.335 6.030 40 HD3 LYS 5 3HD LYS 5 9.669 -9.958 6.611 41 HE2 LYS 5 2HE LYS 5 11.603 -9.968 8.074 42 HE3 LYS 5 3HE LYS 5 12.177 -8.437 7.407 43 HZ1 LYS 5 3HZ LYS 5 10.062 -7.459 8.265 44 HZ2 LYS 5 1HZ LYS 5 11.159 -7.966 9.446 45 HZ3 LYS 5 2HZ LYS 5 9.799 -8.904 9.097 46 H VAL 6 H VAL 6 10.437 -6.630 2.793 47 HA VAL 6 HA VAL 6 10.016 -4.656 4.949 48 HB VAL 6 HB VAL 6 10.348 -3.411 2.942 49 HG11 VAL 6 1HG1 VAL 6 8.564 -5.382 1.445 50 HG12 VAL 6 2HG1 VAL 6 10.324 -5.291 1.340 51 HG13 VAL 6 3HG1 VAL 6 9.339 -3.955 0.741 52 HG21 VAL 6 3HG2 VAL 6 7.326 -3.758 3.101 53 HG22 VAL 6 1HG2 VAL 6 8.176 -2.405 2.344 54 HG23 VAL 6 2HG2 VAL 6 8.295 -2.662 4.086 55 H GLU 7 H GLU 7 8.092 -4.682 6.045 56 HA GLU 7 HA GLU 7 6.031 -6.630 5.199 57 HB2 GLU 7 2HB GLU 7 6.672 -5.592 7.973 58 HB3 GLU 7 3HB GLU 7 5.254 -6.550 7.584 59 HG2 GLU 7 2HG GLU 7 6.719 -8.404 6.853 60 HG3 GLU 7 3HG GLU 7 8.134 -7.443 7.290 61 H VAL 8 H VAL 8 4.415 -5.758 4.313 62 HA VAL 8 HA VAL 8 3.847 -2.883 4.435 63 HB VAL 8 HB VAL 8 2.910 -5.068 2.497 64 HG11 VAL 8 1HG1 VAL 8 2.458 -2.064 2.318 65 HG12 VAL 8 2HG1 VAL 8 1.218 -3.277 2.640 66 HG13 VAL 8 3HG1 VAL 8 2.032 -3.241 1.074 67 HG21 VAL 8 3HG2 VAL 8 5.322 -4.572 2.300 68 HG22 VAL 8 1HG2 VAL 8 4.960 -2.854 2.091 69 HG23 VAL 8 2HG2 VAL 8 4.446 -4.022 0.868 70 H GLN 9 H GLN 9 2.319 -2.331 5.936 71 HA GLN 9 HA GLN 9 0.368 -4.345 6.863 72 HB2 GLN 9 2HB GLN 9 1.026 -1.615 8.074 73 HB3 GLN 9 3HB GLN 9 -0.008 -2.857 8.777 74 HG2 GLN 9 2HG GLN 9 2.081 -4.349 8.828 75 HG3 GLN 9 3HG GLN 9 3.003 -2.891 8.460 76 HE21 GLN 9 1HE2 GLN 9 1.140 -4.580 10.872 77 HE22 GLN 9 2HE2 GLN 9 1.523 -3.536 12.195 78 H VAL 10 H VAL 10 -1.301 -4.291 5.430 79 HA VAL 10 HA VAL 10 -2.369 -1.724 4.460 80 HB VAL 10 HB VAL 10 -3.056 -4.579 3.597 81 HG11 VAL 10 1HG1 VAL 10 -4.977 -3.068 3.262 82 HG12 VAL 10 2HG1 VAL 10 -4.276 -3.527 1.708 83 HG13 VAL 10 3HG1 VAL 10 -3.949 -1.930 2.386 84 HG21 VAL 10 3HG2 VAL 10 -0.763 -3.946 2.940 85 HG22 VAL 10 1HG2 VAL 10 -1.371 -2.469 2.184 86 HG23 VAL 10 2HG2 VAL 10 -1.808 -4.047 1.520 87 H LYS 11 H LYS 11 -3.693 -0.845 5.912 88 HA LYS 11 HA LYS 11 -5.653 -2.504 7.390 89 HB2 LYS 11 2HB LYS 11 -4.017 -1.249 8.801 90 HB3 LYS 11 3HB LYS 11 -4.511 0.256 8.032 91 HG2 LYS 11 2HG LYS 11 -6.794 -0.033 8.965 92 HG3 LYS 11 3HG LYS 11 -6.275 -1.523 9.747 93 HD2 LYS 11 2HD LYS 11 -6.290 0.320 11.362 94 HD3 LYS 11 3HD LYS 11 -4.637 -0.243 11.102 95 HE2 LYS 11 2HE LYS 11 -4.183 1.667 9.642 96 HE3 LYS 11 3HE LYS 11 -5.864 2.187 9.751 97 HZ1 LYS 11 3HZ LYS 11 -5.543 2.540 12.125 98 HZ2 LYS 11 1HZ LYS 11 -4.482 3.482 11.208 99 HZ3 LYS 11 2HZ LYS 11 -3.927 2.095 11.987 100 H ILE 12 H ILE 12 -7.446 -2.470 6.118 101 HA ILE 12 HA ILE 12 -8.315 0.055 4.872 102 HB ILE 12 HB ILE 12 -7.777 -1.583 3.175 103 HG12 ILE 12 2HG1 ILE 12 -10.809 -1.353 3.392 104 HG13 ILE 12 3HG1 ILE 12 -9.746 -0.076 2.814 105 HG21 ILE 12 1HG2 ILE 12 -8.897 -3.765 2.935 106 HG22 ILE 12 2HG2 ILE 12 -9.749 -3.504 4.457 107 HG23 ILE 12 3HG2 ILE 12 -7.992 -3.675 4.453 108 HD11 ILE 12 3HD1 ILE 12 -10.162 -2.760 1.512 109 HD12 ILE 12 1HD1 ILE 12 -9.076 -1.491 0.940 110 HD13 ILE 12 2HD1 ILE 12 -10.816 -1.212 0.981 111 H THR 13 H THR 13 -10.034 0.974 5.734 112 HA THR 13 HA THR 13 -11.765 -0.475 7.596 113 HB THR 13 HB THR 13 -11.847 2.514 6.960 114 HG1 THR 13 HG1 THR 13 -10.213 1.118 8.844 115 HG21 THR 13 3HG2 THR 13 -12.674 0.920 9.422 116 HG22 THR 13 1HG2 THR 13 -13.778 1.618 8.231 117 HG23 THR 13 2HG2 THR 13 -12.788 2.672 9.244 118 H CYS 14 H CYS 14 -13.456 -1.481 6.646 119 HA CYS 14 HA CYS 14 -14.941 -0.210 4.419 120 HB2 CYS 14 2HB CYS 14 -13.438 -1.958 3.537 121 HB3 CYS 14 3HB CYS 14 -14.106 -3.129 4.654 122 H ASN 15 H ASN 15 -16.912 0.184 5.098 123 HA ASN 15 HA ASN 15 -19.063 -0.095 5.654 124 HB2 ASN 15 2HB ASN 15 -18.878 -2.445 4.849 125 HB3 ASN 15 3HB ASN 15 -18.383 -2.960 6.455 126 HD21 ASN 15 1HD2 ASN 15 -21.043 -1.575 4.610 127 HD22 ASN 15 2HD2 ASN 15 -22.296 -2.112 5.669 128 H GLY 16 H GLY 16 -16.550 -0.139 7.810 129 HA2 GLY 16 2HA GLY 16 -16.959 1.118 9.914 130 HA3 GLY 16 3HA GLY 16 -18.297 0.019 10.217 131 H LYS 17 H LYS 17 -15.992 -1.859 8.803 132 HA LYS 17 HA LYS 17 -14.883 -2.716 11.415 133 HB2 LYS 17 2HB LYS 17 -15.304 -4.278 8.829 134 HB3 LYS 17 3HB LYS 17 -14.441 -4.902 10.232 135 HG2 LYS 17 2HG LYS 17 -16.500 -4.729 11.586 136 HG3 LYS 17 3HG LYS 17 -17.369 -4.102 10.181 137 HD2 LYS 17 2HD LYS 17 -17.828 -6.510 10.488 138 HD3 LYS 17 3HD LYS 17 -16.972 -6.223 8.971 139 HE2 LYS 17 2HE LYS 17 -14.849 -6.925 10.047 140 HE3 LYS 17 3HE LYS 17 -15.715 -7.221 11.556 141 HZ1 LYS 17 3HZ LYS 17 -15.362 -9.254 10.322 142 HZ2 LYS 17 1HZ LYS 17 -16.184 -8.629 8.986 143 HZ3 LYS 17 2HZ LYS 17 -17.012 -8.914 10.428 144 H THR 18 H THR 18 -12.710 -3.042 11.611 145 HA THR 18 HA THR 18 -10.944 -1.779 9.639 146 HB THR 18 HB THR 18 -10.372 -2.763 12.476 147 HG1 THR 18 HG1 THR 18 -11.892 -0.962 12.235 148 HG21 THR 18 3HG2 THR 18 -8.310 -2.615 11.100 149 HG22 THR 18 1HG2 THR 18 -8.343 -1.362 12.346 150 HG23 THR 18 2HG2 THR 18 -8.721 -0.953 10.672 151 H TYR 19 H TYR 19 -10.301 -3.197 8.083 152 HA TYR 19 HA TYR 19 -9.640 -6.003 8.763 153 HB2 TYR 19 2HB TYR 19 -9.944 -4.747 5.996 154 HB3 TYR 19 3HB TYR 19 -9.703 -6.454 6.344 155 HD1 TYR 19 HD1 TYR 19 -11.576 -7.841 7.211 156 HD2 TYR 19 HD2 TYR 19 -12.145 -3.700 6.292 157 HE1 TYR 19 HE1 TYR 19 -14.021 -8.158 7.240 158 HE2 TYR 19 HE2 TYR 19 -14.568 -4.028 6.325 159 HH TYR 19 HH TYR 19 -16.208 -5.751 6.100 160 H GLU 20 H GLU 20 -7.551 -5.939 9.509 161 HA GLU 20 HA GLU 20 -5.527 -4.610 7.814 162 HB2 GLU 20 2HB GLU 20 -4.235 -4.305 10.074 163 HB3 GLU 20 3HB GLU 20 -5.498 -3.183 9.629 164 HG2 GLU 20 2HG GLU 20 -5.669 -3.641 11.977 165 HG3 GLU 20 3HG GLU 20 -7.068 -4.336 11.160 166 H ARG 21 H ARG 21 -3.671 -5.642 7.409 167 HA ARG 21 HA ARG 21 -2.890 -8.067 8.770 168 HB2 ARG 21 2HB ARG 21 -4.512 -8.924 7.081 169 HB3 ARG 21 3HB ARG 21 -3.578 -8.166 5.793 170 HG2 ARG 21 2HG ARG 21 -1.680 -9.654 6.238 171 HG3 ARG 21 3HG ARG 21 -2.511 -10.342 7.637 172 HD2 ARG 21 2HD ARG 21 -3.407 -10.572 4.744 173 HD3 ARG 21 3HD ARG 21 -2.629 -11.846 5.687 174 HE ARG 21 HE ARG 21 -4.748 -11.349 7.217 175 HH11 ARG 21 1HH1 ARG 21 -4.658 -11.723 3.716 176 HH12 ARG 21 2HH1 ARG 21 -6.274 -12.348 3.634 177 HH21 ARG 21 1HH2 ARG 21 -6.846 -12.225 7.078 178 HH22 ARG 21 2HH2 ARG 21 -7.503 -12.631 5.525 179 H THR 22 H THR 22 -0.756 -8.287 8.721 180 HA THR 22 HA THR 22 0.909 -6.341 7.294 181 HB THR 22 HB THR 22 1.658 -8.342 9.485 182 HG1 THR 22 HG1 THR 22 0.067 -6.607 10.009 183 HG21 THR 22 3HG2 THR 22 3.637 -6.904 9.817 184 HG22 THR 22 1HG2 THR 22 3.125 -5.874 8.486 185 HG23 THR 22 2HG2 THR 22 3.604 -7.546 8.170 186 H TYR 23 H TYR 23 1.767 -6.976 5.406 187 HA TYR 23 HA TYR 23 1.907 -9.825 4.652 188 HB2 TYR 23 2HB TYR 23 2.055 -7.292 2.941 189 HB3 TYR 23 3HB TYR 23 2.088 -8.941 2.318 190 HD1 TYR 23 HD2 TYR 23 0.042 -10.364 2.414 191 HD2 TYR 23 HD1 TYR 23 -0.072 -6.281 3.659 192 HE1 TYR 23 HE2 TYR 23 -2.413 -10.403 2.332 193 HE2 TYR 23 HE1 TYR 23 -2.529 -6.329 3.592 194 HH TYR 23 HH TYR 23 -4.315 -7.676 2.383 195 H GLN 24 H GLN 24 3.838 -10.806 4.713 196 HA GLN 24 HA GLN 24 6.312 -9.260 4.991 197 HB2 GLN 24 2HB GLN 24 5.839 -12.278 5.023 198 HB3 GLN 24 3HB GLN 24 7.426 -11.535 5.165 199 HG2 GLN 24 2HG GLN 24 6.711 -12.161 7.367 200 HG3 GLN 24 3HG GLN 24 6.672 -10.410 7.261 201 HE21 GLN 24 1HE2 GLN 24 4.702 -9.345 7.467 202 HE22 GLN 24 2HE2 GLN 24 3.241 -10.149 7.910 203 H LEU 25 H LEU 25 7.111 -8.464 3.164 204 HA LEU 25 HA LEU 25 7.183 -10.095 0.681 205 HB2 LEU 25 2HB LEU 25 6.989 -7.057 0.953 206 HB3 LEU 25 3HB LEU 25 7.177 -7.918 -0.568 207 HG LEU 25 HG LEU 25 4.751 -8.085 1.275 208 HD11 LEU 25 1HD1 LEU 25 4.888 -5.935 0.116 209 HD12 LEU 25 2HD1 LEU 25 3.542 -6.897 -0.487 210 HD13 LEU 25 3HD1 LEU 25 5.024 -6.757 -1.440 211 HD21 LEU 25 3HD2 LEU 25 3.683 -9.393 -0.532 212 HD22 LEU 25 1HD2 LEU 25 5.086 -10.224 0.143 213 HD23 LEU 25 2HD2 LEU 25 5.210 -9.416 -1.422 214 H TYR 26 H TYR 26 9.124 -10.078 -0.467 215 HA TYR 26 HA TYR 26 11.393 -8.499 0.565 216 HB2 TYR 26 2HB TYR 26 11.589 -10.856 1.460 217 HB3 TYR 26 3HB TYR 26 11.586 -11.464 -0.192 218 HD1 TYR 26 HD2 TYR 26 13.605 -11.088 -1.669 219 HD2 TYR 26 HD1 TYR 26 13.573 -9.766 2.395 220 HE1 TYR 26 HE2 TYR 26 16.039 -10.753 -1.758 221 HE2 TYR 26 HE1 TYR 26 15.996 -9.423 2.305 222 HH TYR 26 HH TYR 26 17.757 -9.377 -0.547 223 H ALA 27 H ALA 27 12.640 -7.668 -1.025 224 HA ALA 27 HA ALA 27 12.838 -8.770 -3.673 225 HB1 ALA 27 3HB ALA 27 11.983 -6.804 -4.867 226 HB2 ALA 27 1HB ALA 27 11.494 -6.062 -3.345 227 HB3 ALA 27 2HB ALA 27 10.710 -7.538 -3.906 228 H VAL 28 H VAL 28 14.571 -7.847 -4.821 229 HA VAL 28 HA VAL 28 16.580 -6.492 -3.271 230 HB VAL 28 HB VAL 28 16.608 -7.067 -6.276 231 HG11 VAL 28 1HG1 VAL 28 19.079 -6.890 -6.062 232 HG12 VAL 28 2HG1 VAL 28 18.900 -6.454 -4.362 233 HG13 VAL 28 3HG1 VAL 28 18.278 -5.379 -5.616 234 HG21 VAL 28 3HG2 VAL 28 17.910 -9.110 -5.735 235 HG22 VAL 28 1HG2 VAL 28 16.290 -9.171 -5.033 236 HG23 VAL 28 2HG2 VAL 28 17.681 -8.800 -4.012 237 H ARG 29 H ARG 29 15.204 -5.615 -6.480 238 HA ARG 29 HA ARG 29 15.706 -2.799 -5.992 239 HB2 ARG 29 2HB ARG 29 14.462 -4.190 -8.397 240 HB3 ARG 29 3HB ARG 29 14.843 -2.469 -8.310 241 HG2 ARG 29 2HG ARG 29 17.255 -3.092 -7.953 242 HG3 ARG 29 3HG ARG 29 16.814 -4.778 -8.250 243 HD2 ARG 29 2HD ARG 29 17.735 -3.707 -10.274 244 HD3 ARG 29 3HD ARG 29 16.056 -4.193 -10.512 245 HE ARG 29 HE ARG 29 15.391 -1.913 -10.404 246 HH11 ARG 29 1HH1 ARG 29 18.892 -2.258 -10.429 247 HH12 ARG 29 2HH1 ARG 29 19.164 -0.617 -10.914 248 HH21 ARG 29 1HH2 ARG 29 15.771 0.235 -11.011 249 HH22 ARG 29 2HH2 ARG 29 17.398 0.791 -11.241 250 H ASP 30 H ASP 30 14.137 -1.173 -6.122 251 HA ASP 30 HA ASP 30 11.689 -1.617 -4.737 252 HB2 ASP 30 2HB ASP 30 11.286 0.848 -5.274 253 HB3 ASP 30 3HB ASP 30 12.763 0.492 -4.394 254 H GLU 31 H GLU 31 12.542 -1.355 -8.148 255 HA GLU 31 HA GLU 31 10.017 -1.222 -9.342 256 HB2 GLU 31 2HB GLU 31 12.564 -2.616 -10.247 257 HB3 GLU 31 3HB GLU 31 11.127 -2.522 -11.263 258 HG2 GLU 31 2HG GLU 31 12.743 -0.179 -10.229 259 HG3 GLU 31 3HG GLU 31 12.755 -0.809 -11.876 260 H GLU 32 H GLU 32 11.719 -3.953 -7.935 261 HA GLU 32 HA GLU 32 10.077 -6.058 -8.893 262 HB2 GLU 32 2HB GLU 32 11.793 -5.913 -6.391 263 HB3 GLU 32 3HB GLU 32 11.203 -7.396 -7.135 264 HG2 GLU 32 2HG GLU 32 13.077 -5.441 -8.502 265 HG3 GLU 32 3HG GLU 32 13.629 -6.816 -7.553 266 H LEU 33 H LEU 33 9.917 -3.915 -6.096 267 HA LEU 33 HA LEU 33 7.959 -5.390 -4.617 268 HB2 LEU 33 2HB LEU 33 9.713 -3.301 -4.007 269 HB3 LEU 33 3HB LEU 33 8.165 -2.492 -3.978 270 HG LEU 33 HG LEU 33 8.786 -3.211 -1.717 271 HD11 LEU 33 1HD1 LEU 33 6.387 -3.232 -2.200 272 HD12 LEU 33 2HD1 LEU 33 6.816 -4.467 -1.020 273 HD13 LEU 33 3HD1 LEU 33 6.486 -4.924 -2.695 274 HD21 LEU 33 3HD2 LEU 33 9.034 -5.583 -1.097 275 HD22 LEU 33 1HD2 LEU 33 10.261 -5.078 -2.259 276 HD23 LEU 33 2HD2 LEU 33 8.886 -6.048 -2.794 277 H LYS 34 H LYS 34 7.809 -3.033 -7.185 278 HA LYS 34 HA LYS 34 5.336 -1.823 -6.855 279 HB2 LYS 34 2HB LYS 34 6.817 -2.617 -9.386 280 HB3 LYS 34 3HB LYS 34 5.322 -1.685 -9.430 281 HG2 LYS 34 2HG LYS 34 6.336 0.156 -8.257 282 HG3 LYS 34 3HG LYS 34 7.790 -0.788 -7.915 283 HD2 LYS 34 2HD LYS 34 8.192 0.805 -9.744 284 HD3 LYS 34 3HD LYS 34 8.335 -0.860 -10.306 285 HE2 LYS 34 2HE LYS 34 5.991 -0.673 -11.217 286 HE3 LYS 34 3HE LYS 34 6.017 1.042 -10.792 287 HZ1 LYS 34 3HZ LYS 34 6.617 0.646 -13.111 288 HZ2 LYS 34 1HZ LYS 34 7.935 -0.296 -12.627 289 HZ3 LYS 34 2HZ LYS 34 7.890 1.349 -12.261 290 H GLU 35 H GLU 35 5.944 -4.719 -8.905 291 HA GLU 35 HA GLU 35 3.303 -5.314 -9.553 292 HB2 GLU 35 2HB GLU 35 4.122 -7.553 -10.197 293 HB3 GLU 35 3HB GLU 35 5.220 -6.290 -10.744 294 HG2 GLU 35 2HG GLU 35 6.755 -6.790 -8.879 295 HG3 GLU 35 3HG GLU 35 5.654 -8.040 -8.295 296 H LYS 36 H LYS 36 5.150 -6.163 -6.690 297 HA LYS 36 HA LYS 36 3.430 -8.186 -5.653 298 HB2 LYS 36 2HB LYS 36 5.382 -6.407 -4.122 299 HB3 LYS 36 3HB LYS 36 4.704 -7.941 -3.567 300 HG2 LYS 36 2HG LYS 36 5.861 -9.118 -5.407 301 HG3 LYS 36 3HG LYS 36 6.546 -7.581 -5.953 302 HD2 LYS 36 2HD LYS 36 7.693 -7.368 -3.723 303 HD3 LYS 36 3HD LYS 36 7.089 -8.976 -3.298 304 HE2 LYS 36 2HE LYS 36 8.973 -8.295 -5.584 305 HE3 LYS 36 3HE LYS 36 9.401 -9.119 -4.085 306 HZ1 LYS 36 3HZ LYS 36 7.893 -10.927 -4.742 307 HZ2 LYS 36 1HZ LYS 36 9.155 -10.702 -5.844 308 HZ3 LYS 36 2HZ LYS 36 7.604 -10.146 -6.209 309 H LEU 37 H LEU 37 3.786 -4.692 -5.060 310 HA LEU 37 HA LEU 37 1.761 -4.394 -3.110 311 HB2 LEU 37 2HB LEU 37 2.990 -2.399 -5.047 312 HB3 LEU 37 3HB LEU 37 1.865 -1.937 -3.774 313 HG LEU 37 HG LEU 37 4.528 -3.307 -3.253 314 HD11 LEU 37 1HD1 LEU 37 4.891 -1.110 -4.256 315 HD12 LEU 37 2HD1 LEU 37 5.386 -1.142 -2.569 316 HD13 LEU 37 3HD1 LEU 37 3.868 -0.366 -3.025 317 HD21 LEU 37 3HD2 LEU 37 2.592 -1.946 -1.342 318 HD22 LEU 37 1HD2 LEU 37 4.170 -2.614 -0.916 319 HD23 LEU 37 2HD2 LEU 37 2.884 -3.683 -1.468 320 H LYS 38 H LYS 38 1.687 -4.213 -6.690 321 HA LYS 38 HA LYS 38 -0.950 -3.279 -6.971 322 HB2 LYS 38 2HB LYS 38 0.734 -5.000 -8.846 323 HB3 LYS 38 3HB LYS 38 -0.799 -4.245 -9.293 324 HG2 LYS 38 2HG LYS 38 0.189 -2.008 -8.849 325 HG3 LYS 38 3HG LYS 38 1.725 -2.783 -8.454 326 HD2 LYS 38 2HD LYS 38 1.823 -1.931 -10.731 327 HD3 LYS 38 3HD LYS 38 1.838 -3.693 -10.773 328 HE2 LYS 38 2HE LYS 38 -0.528 -3.730 -11.414 329 HE3 LYS 38 3HE LYS 38 -0.628 -1.975 -11.252 330 HZ1 LYS 38 3HZ LYS 38 1.142 -3.374 -13.185 331 HZ2 LYS 38 1HZ LYS 38 0.870 -1.712 -13.076 332 HZ3 LYS 38 2HZ LYS 38 -0.379 -2.737 -13.563 333 H LYS 39 H LYS 39 0.404 -6.586 -6.777 334 HA LYS 39 HA LYS 39 -2.067 -7.948 -7.021 335 HB2 LYS 39 2HB LYS 39 0.608 -8.830 -5.877 336 HB3 LYS 39 3HB LYS 39 -0.783 -9.909 -5.931 337 HG2 LYS 39 2HG LYS 39 0.583 -8.622 -8.313 338 HG3 LYS 39 3HG LYS 39 0.694 -10.319 -7.834 339 HD2 LYS 39 2HD LYS 39 -1.766 -10.573 -8.266 340 HD3 LYS 39 3HD LYS 39 -1.834 -8.884 -8.778 341 HE2 LYS 39 2HE LYS 39 -0.216 -9.435 -10.613 342 HE3 LYS 39 3HE LYS 39 -0.309 -11.135 -10.140 343 HZ1 LYS 39 3HZ LYS 39 -2.678 -11.091 -10.616 344 HZ2 LYS 39 1HZ LYS 39 -1.792 -10.630 -11.976 345 HZ3 LYS 39 2HZ LYS 39 -2.588 -9.462 -11.050 346 H VAL 40 H VAL 40 -0.198 -6.993 -4.113 347 HA VAL 40 HA VAL 40 -1.815 -8.155 -2.152 348 HB VAL 40 HB VAL 40 0.004 -5.701 -1.985 349 HG11 VAL 40 1HG1 VAL 40 -1.347 -7.127 0.334 350 HG12 VAL 40 2HG1 VAL 40 -1.674 -5.476 -0.200 351 HG13 VAL 40 3HG1 VAL 40 -0.098 -5.886 0.481 352 HG21 VAL 40 3HG2 VAL 40 1.150 -7.855 -2.423 353 HG22 VAL 40 1HG2 VAL 40 0.395 -8.552 -0.990 354 HG23 VAL 40 2HG2 VAL 40 1.561 -7.236 -0.822 355 H LEU 41 H LEU 41 -2.025 -4.953 -3.688 356 HA LEU 41 HA LEU 41 -4.236 -4.039 -2.126 357 HB2 LEU 41 2HB LEU 41 -2.970 -3.019 -4.681 358 HB3 LEU 41 3HB LEU 41 -4.402 -2.262 -3.996 359 HG LEU 41 HG LEU 41 -1.746 -2.541 -2.533 360 HD11 LEU 41 1HD1 LEU 41 -1.449 -0.149 -2.892 361 HD12 LEU 41 2HD1 LEU 41 -2.933 -0.087 -3.846 362 HD13 LEU 41 3HD1 LEU 41 -1.546 -1.009 -4.428 363 HD21 LEU 41 3HD2 LEU 41 -3.642 -2.480 -0.979 364 HD22 LEU 41 1HD2 LEU 41 -4.267 -1.020 -1.760 365 HD23 LEU 41 2HD2 LEU 41 -2.728 -0.977 -0.892 366 H ASN 42 H ASN 42 -4.031 -5.272 -5.540 367 HA ASN 42 HA ASN 42 -6.739 -5.080 -6.182 368 HB2 ASN 42 2HB ASN 42 -4.628 -7.024 -7.196 369 HB3 ASN 42 3HB ASN 42 -6.262 -7.003 -7.856 370 HD21 ASN 42 1HD2 ASN 42 -3.764 -6.452 -9.194 371 HD22 ASN 42 2HD2 ASN 42 -3.897 -4.858 -9.837 372 H GLU 43 H GLU 43 -5.056 -7.912 -4.820 373 HA GLU 43 HA GLU 43 -7.300 -9.601 -4.592 374 HB2 GLU 43 2HB GLU 43 -4.726 -9.603 -2.958 375 HB3 GLU 43 3HB GLU 43 -5.899 -10.913 -2.990 376 HG2 GLU 43 2HG GLU 43 -4.159 -9.966 -5.283 377 HG3 GLU 43 3HG GLU 43 -4.017 -11.483 -4.399 378 H ARG 44 H ARG 44 -5.929 -7.175 -2.402 379 HA ARG 44 HA ARG 44 -7.534 -7.666 -0.142 380 HB2 ARG 44 2HB ARG 44 -5.422 -6.174 -0.350 381 HB3 ARG 44 3HB ARG 44 -6.490 -4.920 -0.963 382 HG2 ARG 44 2HG ARG 44 -6.020 -4.606 1.423 383 HG3 ARG 44 3HG ARG 44 -7.739 -4.935 1.168 384 HD2 ARG 44 2HD ARG 44 -7.524 -7.180 1.948 385 HD3 ARG 44 3HD ARG 44 -5.762 -7.126 1.871 386 HE ARG 44 HE ARG 44 -6.521 -5.190 3.701 387 HH11 ARG 44 1HH1 ARG 44 -6.883 -8.688 3.404 388 HH12 ARG 44 2HH1 ARG 44 -6.882 -8.949 5.119 389 HH21 ARG 44 1HH2 ARG 44 -6.434 -5.587 5.943 390 HH22 ARG 44 2HH2 ARG 44 -6.628 -7.208 6.537 391 H MET 45 H MET 45 -8.006 -5.597 -2.975 392 HA MET 45 HA MET 45 -10.309 -4.229 -1.894 393 HB2 MET 45 2HB MET 45 -8.990 -4.083 -4.633 394 HB3 MET 45 3HB MET 45 -10.289 -3.025 -4.085 395 HG2 MET 45 2HG MET 45 -7.520 -3.211 -2.876 396 HG3 MET 45 3HG MET 45 -8.139 -1.905 -3.883 397 HE1 MET 45 3HE MET 45 -11.115 -1.607 -2.764 398 HE2 MET 45 1HE MET 45 -10.085 -0.205 -3.057 399 HE3 MET 45 2HE MET 45 -10.905 -0.394 -1.508 400 H ASP 46 H ASP 46 -9.801 -7.034 -3.855 401 HA ASP 46 HA ASP 46 -12.080 -7.050 -5.470 402 HB2 ASP 46 2HB ASP 46 -10.236 -8.595 -5.903 403 HB3 ASP 46 3HB ASP 46 -10.500 -9.418 -4.376 404 HA PRO 47 HA PRO 47 -14.594 -9.441 -2.032 405 HB2 PRO 47 2HB PRO 47 -13.661 -9.513 0.550 406 HB3 PRO 47 3HB PRO 47 -13.228 -10.747 -0.655 407 HG2 PRO 47 2HG PRO 47 -11.644 -8.335 0.199 408 HG3 PRO 47 3HG PRO 47 -11.101 -10.019 0.002 409 HD2 PRO 47 2HD PRO 47 -10.665 -8.174 -1.911 410 HD3 PRO 47 3HD PRO 47 -11.019 -9.863 -2.318 411 H ILE 48 H ILE 48 -12.794 -6.533 -1.269 412 HA ILE 48 HA ILE 48 -14.604 -5.353 0.593 413 HB ILE 48 HB ILE 48 -12.404 -4.142 -1.126 414 HG12 ILE 48 2HG1 ILE 48 -11.606 -5.844 0.491 415 HG13 ILE 48 3HG1 ILE 48 -11.013 -4.246 0.908 416 HG21 ILE 48 1HG2 ILE 48 -13.811 -2.851 1.223 417 HG22 ILE 48 2HG2 ILE 48 -13.972 -2.376 -0.465 418 HG23 ILE 48 3HG2 ILE 48 -12.425 -2.190 0.358 419 HD11 ILE 48 3HD1 ILE 48 -11.624 -5.482 2.879 420 HD12 ILE 48 1HD1 ILE 48 -13.259 -5.733 2.269 421 HD13 ILE 48 2HD1 ILE 48 -12.710 -4.109 2.688 422 H LYS 49 H LYS 49 -14.279 -5.166 -2.954 423 HA LYS 49 HA LYS 49 -16.276 -3.184 -3.406 424 HB2 LYS 49 2HB LYS 49 -15.287 -5.423 -5.214 425 HB3 LYS 49 3HB LYS 49 -16.361 -4.129 -5.740 426 HG2 LYS 49 2HG LYS 49 -14.593 -2.464 -5.255 427 HG3 LYS 49 3HG LYS 49 -13.522 -3.764 -4.721 428 HD2 LYS 49 2HD LYS 49 -12.957 -3.127 -7.022 429 HD3 LYS 49 3HD LYS 49 -13.609 -4.766 -6.999 430 HE2 LYS 49 2HE LYS 49 -15.806 -3.890 -7.755 431 HE3 LYS 49 3HE LYS 49 -15.142 -2.258 -7.785 432 HZ1 LYS 49 3HZ LYS 49 -14.227 -4.533 -9.460 433 HZ2 LYS 49 1HZ LYS 49 -13.579 -2.974 -9.484 434 HZ3 LYS 49 2HZ LYS 49 -15.174 -3.233 -9.977 435 H LYS 50 H LYS 50 -16.342 -6.695 -3.033 436 HA LYS 50 HA LYS 50 -19.088 -7.148 -3.605 437 HB2 LYS 50 2HB LYS 50 -17.023 -8.821 -3.365 438 HB3 LYS 50 3HB LYS 50 -17.516 -8.902 -1.688 439 HG2 LYS 50 2HG LYS 50 -19.237 -9.648 -4.079 440 HG3 LYS 50 3HG LYS 50 -18.367 -10.789 -3.060 441 HD2 LYS 50 2HD LYS 50 -20.690 -9.015 -2.195 442 HD3 LYS 50 3HD LYS 50 -20.766 -10.748 -2.508 443 HE2 LYS 50 2HE LYS 50 -19.288 -11.187 -0.601 444 HE3 LYS 50 3HE LYS 50 -19.101 -9.455 -0.318 445 HZ1 LYS 50 3HZ LYS 50 -20.704 -10.313 1.195 446 HZ2 LYS 50 1HZ LYS 50 -21.592 -11.040 -0.044 447 HZ3 LYS 50 2HZ LYS 50 -21.523 -9.357 0.068 448 H LEU 51 H LEU 51 -17.304 -6.276 -0.657 449 HA LEU 51 HA LEU 51 -19.521 -6.417 1.162 450 HB2 LEU 51 2HB LEU 51 -16.920 -4.843 1.382 451 HB3 LEU 51 3HB LEU 51 -18.077 -5.058 2.690 452 HG LEU 51 HG LEU 51 -16.409 -7.255 1.398 453 HD11 LEU 51 1HD1 LEU 51 -15.093 -5.784 2.839 454 HD12 LEU 51 2HD1 LEU 51 -15.255 -7.387 3.552 455 HD13 LEU 51 3HD1 LEU 51 -16.222 -6.045 4.171 456 HD21 LEU 51 3HD2 LEU 51 -17.313 -8.764 3.126 457 HD22 LEU 51 1HD2 LEU 51 -18.576 -8.172 2.047 458 HD23 LEU 51 2HD2 LEU 51 -18.412 -7.493 3.669 459 H GLY 52 H GLY 52 -18.318 -4.037 -1.089 460 HA2 GLY 52 2HA GLY 52 -19.470 -2.383 -2.134 461 HA3 GLY 52 3HA GLY 52 -20.898 -2.821 -1.213 462 H CYS 53 H CYS 53 -17.734 -1.714 -0.033 463 HA CYS 53 HA CYS 53 -19.003 0.221 1.688 464 HB2 CYS 53 2HB CYS 53 -16.086 -0.448 1.202 465 HB3 CYS 53 3HB CYS 53 -16.674 0.651 2.456 466 H LYS 54 H LYS 54 -19.698 2.054 0.910 467 HA LYS 54 HA LYS 54 -19.269 3.396 -1.413 468 HB2 LYS 54 2HB LYS 54 -20.291 5.377 -0.383 469 HB3 LYS 54 3HB LYS 54 -21.116 3.926 0.158 470 HG2 LYS 54 2HG LYS 54 -19.100 5.518 1.791 471 HG3 LYS 54 3HG LYS 54 -20.850 5.603 1.971 472 HD2 LYS 54 2HD LYS 54 -20.823 3.150 2.612 473 HD3 LYS 54 3HD LYS 54 -19.059 3.209 2.556 474 HE2 LYS 54 2HE LYS 54 -19.804 3.414 4.858 475 HE3 LYS 54 3HE LYS 54 -19.092 4.942 4.341 476 HZ1 LYS 54 3HZ LYS 54 -21.271 5.867 4.062 477 HZ2 LYS 54 1HZ LYS 54 -21.170 5.198 5.612 478 HZ3 LYS 54 2HZ LYS 54 -22.009 4.386 4.392 479 H ARG 55 H ARG 55 -17.331 3.754 1.537 480 HA ARG 55 HA ARG 55 -15.140 4.861 -0.034 481 HB2 ARG 55 2HB ARG 55 -16.581 6.768 1.149 482 HB3 ARG 55 3HB ARG 55 -15.778 6.233 2.614 483 HG2 ARG 55 2HG ARG 55 -14.292 7.152 0.125 484 HG3 ARG 55 3HG ARG 55 -14.743 8.232 1.439 485 HD2 ARG 55 2HD ARG 55 -13.033 5.780 1.931 486 HD3 ARG 55 3HD ARG 55 -12.334 7.300 1.393 487 HE ARG 55 HE ARG 55 -12.985 8.320 3.439 488 HH11 ARG 55 1HH1 ARG 55 -13.496 4.840 3.514 489 HH12 ARG 55 2HH1 ARG 55 -13.518 4.765 5.243 490 HH21 ARG 55 1HH2 ARG 55 -12.928 8.171 5.683 491 HH22 ARG 55 2HH2 ARG 55 -13.198 6.647 6.472 492 H VAL 56 H VAL 56 -13.240 4.029 0.649 493 HA VAL 56 HA VAL 56 -13.067 2.534 3.194 494 HB VAL 56 HB VAL 56 -11.495 0.957 2.078 495 HG11 VAL 56 1HG1 VAL 56 -13.187 -0.317 0.808 496 HG12 VAL 56 2HG1 VAL 56 -14.236 1.102 0.784 497 HG13 VAL 56 3HG1 VAL 56 -13.834 0.321 2.317 498 HG21 VAL 56 3HG2 VAL 56 -10.684 2.375 0.230 499 HG22 VAL 56 1HG2 VAL 56 -12.284 2.340 -0.526 500 HG23 VAL 56 2HG2 VAL 56 -11.333 0.862 -0.393 501 H ARG 57 H ARG 57 -11.229 2.851 4.376 502 HA ARG 57 HA ARG 57 -9.213 4.781 3.362 503 HB2 ARG 57 2HB ARG 57 -10.499 5.517 5.348 504 HB3 ARG 57 3HB ARG 57 -9.993 4.072 6.217 505 HG2 ARG 57 2HG ARG 57 -7.608 4.864 6.034 506 HG3 ARG 57 3HG ARG 57 -8.206 6.357 5.297 507 HD2 ARG 57 2HD ARG 57 -7.753 6.597 7.740 508 HD3 ARG 57 3HD ARG 57 -9.445 6.910 7.324 509 HE ARG 57 HE ARG 57 -8.801 4.183 8.144 510 HH11 ARG 57 1HH1 ARG 57 -10.118 7.278 9.180 511 HH12 ARG 57 2HH1 ARG 57 -10.901 6.601 10.570 512 HH21 ARG 57 1HH2 ARG 57 -9.817 3.327 9.934 513 HH22 ARG 57 2HH2 ARG 57 -10.726 4.356 10.996 514 H ILE 58 H ILE 58 -7.618 3.587 2.520 515 HA ILE 58 HA ILE 58 -6.559 1.158 3.749 516 HB ILE 58 HB ILE 58 -5.730 2.545 1.144 517 HG12 ILE 58 2HG1 ILE 58 -7.616 0.159 1.433 518 HG13 ILE 58 3HG1 ILE 58 -8.128 1.801 1.060 519 HG21 ILE 58 1HG2 ILE 58 -4.652 0.389 0.569 520 HG22 ILE 58 2HG2 ILE 58 -5.133 -0.271 2.131 521 HG23 ILE 58 3HG2 ILE 58 -3.984 1.066 2.059 522 HD11 ILE 58 3HD1 ILE 58 -6.376 0.053 -0.673 523 HD12 ILE 58 1HD1 ILE 58 -6.863 1.713 -1.038 524 HD13 ILE 58 2HD1 ILE 58 -8.076 0.440 -0.931 525 H SER 59 H SER 59 -5.125 1.664 5.363 526 HA SER 59 HA SER 59 -3.187 3.866 5.040 527 HB2 SER 59 2HB SER 59 -4.029 2.389 7.580 528 HB3 SER 59 3HB SER 59 -2.943 3.781 7.493 529 HG SER 59 HG SER 59 -5.110 4.528 6.245 530 H ILE 60 H ILE 60 -1.444 3.032 4.037 531 HA ILE 60 HA ILE 60 -0.459 0.321 4.661 532 HB ILE 60 HB ILE 60 0.311 2.260 2.435 533 HG12 ILE 60 2HG1 ILE 60 -1.231 -0.375 2.312 534 HG13 ILE 60 3HG1 ILE 60 -1.945 1.228 2.171 535 HG21 ILE 60 1HG2 ILE 60 1.340 -0.560 2.909 536 HG22 ILE 60 2HG2 ILE 60 2.277 0.926 3.063 537 HG23 ILE 60 3HG2 ILE 60 1.680 0.422 1.482 538 HD11 ILE 60 3HD1 ILE 60 -0.674 1.595 0.103 539 HD12 ILE 60 1HD1 ILE 60 -1.741 0.194 0.012 540 HD13 ILE 60 2HD1 ILE 60 -0.007 -0.037 0.238 541 H ARG 61 H ARG 61 1.145 0.126 6.110 542 HA ARG 61 HA ARG 61 3.039 2.358 6.585 543 HB2 ARG 61 2HB ARG 61 2.284 0.019 8.395 544 HB3 ARG 61 3HB ARG 61 3.540 1.203 8.766 545 HG2 ARG 61 2HG ARG 61 1.790 2.993 8.727 546 HG3 ARG 61 3HG ARG 61 0.566 1.740 8.490 547 HD2 ARG 61 2HD ARG 61 1.226 0.708 10.641 548 HD3 ARG 61 3HD ARG 61 2.439 1.970 10.877 549 HE ARG 61 HE ARG 61 -0.495 2.328 10.926 550 HH11 ARG 61 1HH1 ARG 61 2.701 3.605 11.674 551 HH12 ARG 61 2HH1 ARG 61 2.072 4.895 12.649 552 HH21 ARG 61 1HH2 ARG 61 -1.276 3.975 12.266 553 HH22 ARG 61 2HH2 ARG 61 -0.171 5.107 12.982 554 H VAL 62 H VAL 62 5.150 2.022 6.181 555 HA VAL 62 HA VAL 62 6.126 -0.658 5.417 556 HB VAL 62 HB VAL 62 6.593 1.310 3.887 557 HG11 VAL 62 1HG1 VAL 62 6.978 3.069 5.580 558 HG12 VAL 62 2HG1 VAL 62 8.331 2.943 4.451 559 HG13 VAL 62 3HG1 VAL 62 8.472 2.260 6.072 560 HG21 VAL 62 3HG2 VAL 62 8.965 0.756 3.455 561 HG22 VAL 62 1HG2 VAL 62 7.988 -0.683 3.745 562 HG23 VAL 62 2HG2 VAL 62 9.050 -0.071 5.014 563 H LYS 63 H LYS 63 7.675 -1.704 6.663 564 HA LYS 63 HA LYS 63 8.052 -0.793 9.393 565 HB2 LYS 63 2HB LYS 63 8.982 -3.295 7.955 566 HB3 LYS 63 3HB LYS 63 9.296 -2.978 9.653 567 HG2 LYS 63 2HG LYS 63 6.523 -3.252 8.442 568 HG3 LYS 63 3HG LYS 63 7.416 -4.552 9.222 569 HD2 LYS 63 2HD LYS 63 6.029 -3.866 10.958 570 HD3 LYS 63 3HD LYS 63 7.479 -2.930 11.300 571 HE2 LYS 63 2HE LYS 63 6.433 -0.958 10.213 572 HE3 LYS 63 3HE LYS 63 4.987 -1.914 9.892 573 HZ1 LYS 63 3HZ LYS 63 6.072 -1.257 12.574 574 HZ2 LYS 63 1HZ LYS 63 4.702 -2.197 12.272 575 HZ3 LYS 63 2HZ LYS 63 4.711 -0.564 11.848 576 H HIS 64 H HIS 64 9.784 0.197 10.204 577 HA HIS 64 HA HIS 64 12.384 0.107 8.930 578 HB2 HIS 64 2HB HIS 64 12.615 2.588 8.864 579 HB3 HIS 64 3HB HIS 64 11.412 1.981 7.732 580 HD1 HIS 64 HD1 HIS 64 11.487 3.521 11.229 581 HD2 HIS 64 HD2 HIS 64 9.109 3.429 7.818 582 HE1 HIS 64 HE1 HIS 64 9.600 5.106 11.674 583 HE2 HIS 64 HE2 HIS 64 8.132 4.951 9.648 584 H SER 65 H SER 65 14.071 0.792 10.302 585 HA SER 65 HA SER 65 13.674 2.001 12.871 586 HB2 SER 65 2HB SER 65 14.548 0.072 14.236 587 HB3 SER 65 3HB SER 65 12.988 -0.289 13.492 588 HG SER 65 HG SER 65 14.412 -1.211 11.727 589 H ASP 66 H ASP 66 15.099 2.512 10.490 590 HA ASP 66 HA ASP 66 17.919 2.533 11.367 591 HB2 ASP 66 2HB ASP 66 17.531 0.621 9.737 592 HB3 ASP 66 3HB ASP 66 16.993 1.791 8.544 593 H ALA 67 H ALA 67 17.531 4.707 11.919 594 HA ALA 67 HA ALA 67 15.861 6.458 10.485 595 HB1 ALA 67 3HB ALA 67 16.212 6.619 12.898 596 HB2 ALA 67 1HB ALA 67 16.557 8.160 12.108 597 HB3 ALA 67 2HB ALA 67 17.884 7.122 12.644 598 H ALA 68 H ALA 68 19.039 5.604 9.745 599 HA ALA 68 HA ALA 68 19.804 8.012 8.358 600 HB1 ALA 68 3HB ALA 68 21.496 6.443 9.197 601 HB2 ALA 68 1HB ALA 68 21.629 6.608 7.446 602 HB3 ALA 68 2HB ALA 68 20.869 5.174 8.147 603 H GLU 69 H GLU 69 18.905 4.721 7.186 604 HA GLU 69 HA GLU 69 18.691 5.725 4.463 605 HB2 GLU 69 2HB GLU 69 18.612 2.932 5.646 606 HB3 GLU 69 3HB GLU 69 18.325 3.237 3.937 607 HG2 GLU 69 2HG GLU 69 20.857 4.002 5.418 608 HG3 GLU 69 3HG GLU 69 20.656 2.542 4.451 609 H GLU 70 H GLU 70 16.443 4.805 6.989 610 HA GLU 70 HA GLU 70 14.312 3.811 5.437 611 HB2 GLU 70 2HB GLU 70 12.889 4.179 7.382 612 HB3 GLU 70 3HB GLU 70 14.448 3.537 7.884 613 HG2 GLU 70 2HG GLU 70 15.157 5.757 8.630 614 HG3 GLU 70 3HG GLU 70 13.648 6.460 8.048 615 H LYS 71 H LYS 71 15.265 7.091 6.092 616 HA LYS 71 HA LYS 71 12.805 8.383 5.349 617 HB2 LYS 71 2HB LYS 71 15.636 9.463 5.734 618 HB3 LYS 71 3HB LYS 71 14.181 10.455 5.594 619 HG2 LYS 71 2HG LYS 71 13.274 9.511 7.654 620 HG3 LYS 71 3HG LYS 71 14.632 8.387 7.778 621 HD2 LYS 71 2HD LYS 71 16.176 10.302 8.106 622 HD3 LYS 71 3HD LYS 71 14.815 11.423 7.972 623 HE2 LYS 71 2HE LYS 71 13.799 10.481 9.990 624 HE3 LYS 71 3HE LYS 71 15.075 9.266 10.097 625 HZ1 LYS 71 3HZ LYS 71 16.673 11.049 10.438 626 HZ2 LYS 71 1HZ LYS 71 15.468 11.069 11.621 627 HZ3 LYS 71 2HZ LYS 71 15.439 12.199 10.367 628 H LYS 72 H LYS 72 15.784 7.471 3.773 629 HA LYS 72 HA LYS 72 15.338 8.701 1.225 630 HB2 LYS 72 2HB LYS 72 17.585 8.044 1.978 631 HB3 LYS 72 3HB LYS 72 17.080 6.366 2.123 632 HG2 LYS 72 2HG LYS 72 16.730 6.328 -0.377 633 HG3 LYS 72 3HG LYS 72 17.425 7.950 -0.445 634 HD2 LYS 72 2HD LYS 72 18.825 5.436 0.554 635 HD3 LYS 72 3HD LYS 72 19.107 6.229 -0.996 636 HE2 LYS 72 2HE LYS 72 20.012 8.200 0.143 637 HE3 LYS 72 3HE LYS 72 19.640 7.492 1.718 638 HZ1 LYS 72 3HZ LYS 72 21.192 5.699 1.221 639 HZ2 LYS 72 1HZ LYS 72 21.955 7.207 1.174 640 HZ3 LYS 72 2HZ LYS 72 21.571 6.413 -0.262 641 H GLU 73 H GLU 73 14.627 5.548 2.693 642 HA GLU 73 HA GLU 73 13.779 4.316 0.219 643 HB2 GLU 73 2HB GLU 73 13.563 3.255 3.069 644 HB3 GLU 73 3HB GLU 73 13.346 2.317 1.593 645 HG2 GLU 73 2HG GLU 73 15.919 3.624 2.522 646 HG3 GLU 73 3HG GLU 73 15.545 1.911 2.601 647 H ALA 74 H ALA 74 12.179 6.016 2.836 648 HA ALA 74 HA ALA 74 9.503 5.125 2.221 649 HB1 ALA 74 3HB ALA 74 8.781 6.930 3.731 650 HB2 ALA 74 1HB ALA 74 10.431 7.569 3.781 651 HB3 ALA 74 2HB ALA 74 10.076 5.981 4.462 652 H LYS 75 H LYS 75 11.481 7.985 1.509 653 HA LYS 75 HA LYS 75 9.862 9.426 -0.245 654 HB2 LYS 75 2HB LYS 75 12.094 10.140 0.634 655 HB3 LYS 75 3HB LYS 75 12.873 8.959 -0.410 656 HG2 LYS 75 2HG LYS 75 11.932 10.219 -2.398 657 HG3 LYS 75 3HG LYS 75 11.365 11.458 -1.274 658 HD2 LYS 75 2HD LYS 75 14.246 10.631 -1.791 659 HD3 LYS 75 3HD LYS 75 13.488 12.156 -2.248 660 HE2 LYS 75 2HE LYS 75 14.011 11.209 0.599 661 HE3 LYS 75 3HE LYS 75 14.926 12.440 -0.268 662 HZ1 LYS 75 3HZ LYS 75 13.366 13.469 1.208 663 HZ2 LYS 75 1HZ LYS 75 12.073 12.612 0.536 664 HZ3 LYS 75 2HZ LYS 75 12.888 13.772 -0.379 665 H LYS 76 H LYS 76 11.983 6.686 -0.841 666 HA LYS 76 HA LYS 76 11.712 6.434 -3.643 667 HB2 LYS 76 2HB LYS 76 13.567 5.489 -2.353 668 HB3 LYS 76 3HB LYS 76 12.467 4.429 -1.485 669 HG2 LYS 76 2HG LYS 76 12.033 3.143 -3.508 670 HG3 LYS 76 3HG LYS 76 12.996 4.270 -4.470 671 HD2 LYS 76 2HD LYS 76 14.053 2.514 -2.216 672 HD3 LYS 76 3HD LYS 76 14.267 2.207 -3.944 673 HE2 LYS 76 2HE LYS 76 15.566 4.310 -4.152 674 HE3 LYS 76 3HE LYS 76 15.339 4.620 -2.427 675 HZ1 LYS 76 3HZ LYS 76 16.566 2.643 -1.921 676 HZ2 LYS 76 1HZ LYS 76 17.486 3.647 -2.920 677 HZ3 LYS 76 2HZ LYS 76 16.747 2.274 -3.562 678 H PHE 77 H PHE 77 10.036 4.944 -0.892 679 HA PHE 77 HA PHE 77 8.443 3.098 -2.400 680 HB2 PHE 77 2HB PHE 77 9.274 2.933 0.066 681 HB3 PHE 77 3HB PHE 77 7.936 3.993 0.471 682 HD1 PHE 77 HD1 PHE 77 8.663 0.731 -1.268 683 HD2 PHE 77 HD2 PHE 77 5.864 2.986 1.066 684 HE1 PHE 77 HE1 PHE 77 7.244 -1.268 -1.021 685 HE2 PHE 77 HE2 PHE 77 4.456 0.982 1.298 686 HZ PHE 77 HZ PHE 77 5.145 -1.142 0.264 687 H ALA 78 H ALA 78 8.160 6.406 -1.391 688 HA ALA 78 HA ALA 78 5.391 6.846 -1.655 689 HB1 ALA 78 3HB ALA 78 6.903 8.456 -0.576 690 HB2 ALA 78 1HB ALA 78 5.974 9.220 -1.868 691 HB3 ALA 78 2HB ALA 78 7.668 8.792 -2.131 692 H ALA 79 H ALA 79 8.081 7.125 -3.958 693 HA ALA 79 HA ALA 79 6.513 7.848 -6.214 694 HB1 ALA 79 3HB ALA 79 8.580 7.461 -7.484 695 HB2 ALA 79 1HB ALA 79 9.308 6.671 -6.076 696 HB3 ALA 79 2HB ALA 79 8.898 8.386 -6.017 697 H ILE 80 H ILE 80 7.655 4.755 -4.921 698 HA ILE 80 HA ILE 80 6.955 3.059 -7.046 699 HB ILE 80 HB ILE 80 7.208 2.518 -4.057 700 HG12 ILE 80 2HG1 ILE 80 9.304 3.154 -5.139 701 HG13 ILE 80 3HG1 ILE 80 9.369 1.436 -4.767 702 HG21 ILE 80 1HG2 ILE 80 6.867 0.434 -6.240 703 HG22 ILE 80 2HG2 ILE 80 5.713 0.789 -4.958 704 HG23 ILE 80 3HG2 ILE 80 7.286 0.096 -4.560 705 HD11 ILE 80 3HD1 ILE 80 10.311 1.906 -6.947 706 HD12 ILE 80 1HD1 ILE 80 8.803 2.640 -7.484 707 HD13 ILE 80 2HD1 ILE 80 8.867 0.913 -7.113 708 H LEU 81 H LEU 81 5.080 3.799 -4.062 709 HA LEU 81 HA LEU 81 2.745 2.451 -4.945 710 HB2 LEU 81 2HB LEU 81 3.391 4.272 -2.639 711 HB3 LEU 81 3HB LEU 81 1.701 4.007 -3.023 712 HG LEU 81 HG LEU 81 3.693 1.806 -2.318 713 HD11 LEU 81 1HD1 LEU 81 3.149 3.165 -0.362 714 HD12 LEU 81 2HD1 LEU 81 2.414 1.570 -0.228 715 HD13 LEU 81 3HD1 LEU 81 1.422 2.963 -0.670 716 HD21 LEU 81 3HD2 LEU 81 1.984 0.983 -3.874 717 HD22 LEU 81 1HD2 LEU 81 0.701 1.622 -2.840 718 HD23 LEU 81 2HD2 LEU 81 1.731 0.304 -2.269 719 H ASN 82 H ASN 82 3.944 5.711 -5.456 720 HA ASN 82 HA ASN 82 1.573 6.978 -6.345 721 HB2 ASN 82 2HB ASN 82 3.595 8.270 -5.856 722 HB3 ASN 82 3HB ASN 82 4.492 7.439 -7.115 723 HD21 ASN 82 1HD2 ASN 82 4.318 8.140 -9.216 724 HD22 ASN 82 2HD2 ASN 82 3.421 9.538 -9.690 725 H LYS 83 H LYS 83 3.969 4.960 -8.035 726 HA LYS 83 HA LYS 83 2.730 4.952 -10.596 727 HB2 LYS 83 2HB LYS 83 4.557 2.886 -9.300 728 HB3 LYS 83 3HB LYS 83 4.092 2.872 -11.000 729 HG2 LYS 83 2HG LYS 83 5.616 5.127 -9.662 730 HG3 LYS 83 3HG LYS 83 6.374 3.806 -10.545 731 HD2 LYS 83 2HD LYS 83 4.380 5.741 -11.806 732 HD3 LYS 83 3HD LYS 83 6.128 5.979 -11.828 733 HE2 LYS 83 2HE LYS 83 5.668 4.999 -13.924 734 HE3 LYS 83 3HE LYS 83 6.258 3.652 -12.959 735 HZ1 LYS 83 3HZ LYS 83 3.431 4.260 -13.629 736 HZ2 LYS 83 1HZ LYS 83 3.905 3.024 -12.583 737 HZ3 LYS 83 2HZ LYS 83 4.352 2.973 -14.207 738 H VAL 84 H VAL 84 2.427 2.812 -7.746 739 HA VAL 84 HA VAL 84 1.039 0.683 -8.982 740 HB VAL 84 HB VAL 84 1.251 1.506 -6.046 741 HG11 VAL 84 1HG1 VAL 84 0.101 -1.083 -7.152 742 HG12 VAL 84 2HG1 VAL 84 -0.788 0.163 -6.275 743 HG13 VAL 84 3HG1 VAL 84 0.459 -0.774 -5.452 744 HG21 VAL 84 3HG2 VAL 84 3.387 0.829 -7.100 745 HG22 VAL 84 1HG2 VAL 84 2.665 -0.705 -7.589 746 HG23 VAL 84 2HG2 VAL 84 2.887 -0.338 -5.875 747 H PHE 85 H PHE 85 -0.159 3.247 -6.807 748 HA PHE 85 HA PHE 85 -2.892 2.705 -6.904 749 HB2 PHE 85 2HB PHE 85 -1.480 5.364 -6.413 750 HB3 PHE 85 3HB PHE 85 -3.212 5.133 -6.194 751 HD1 PHE 85 HD1 PHE 85 -3.591 2.686 -4.796 752 HD2 PHE 85 HD2 PHE 85 -0.398 5.493 -4.327 753 HE1 PHE 85 HE1 PHE 85 -3.232 1.910 -2.489 754 HE2 PHE 85 HE2 PHE 85 -0.043 4.699 -2.032 755 HZ PHE 85 HZ PHE 85 -1.456 2.913 -1.112 756 H ALA 86 H ALA 86 -0.959 4.838 -9.007 757 HA ALA 86 HA ALA 86 -3.078 5.951 -10.518 758 HB1 ALA 86 3HB ALA 86 -0.175 5.556 -11.313 759 HB2 ALA 86 1HB ALA 86 -0.832 6.942 -10.447 760 HB3 ALA 86 2HB ALA 86 -1.327 6.633 -12.113 761 H GLU 87 H GLU 87 -1.323 2.926 -10.795 762 HA GLU 87 HA GLU 87 -2.365 2.245 -13.445 763 HB2 GLU 87 2HB GLU 87 -0.515 0.783 -11.513 764 HB3 GLU 87 3HB GLU 87 -1.035 0.098 -13.055 765 HG2 GLU 87 2HG GLU 87 0.071 1.883 -14.290 766 HG3 GLU 87 3HG GLU 87 0.473 2.723 -12.789 767 H LEU 88 H LEU 88 -3.485 2.004 -10.249 768 HA LEU 88 HA LEU 88 -5.152 -0.390 -10.812 769 HB2 LEU 88 2HB LEU 88 -4.435 0.810 -8.109 770 HB3 LEU 88 3HB LEU 88 -5.483 -0.576 -8.362 771 HG LEU 88 HG LEU 88 -2.479 -0.426 -8.788 772 HD11 LEU 88 1HD1 LEU 88 -2.395 -2.235 -7.150 773 HD12 LEU 88 2HD1 LEU 88 -4.153 -2.206 -6.999 774 HD13 LEU 88 3HD1 LEU 88 -3.197 -0.810 -6.489 775 HD21 LEU 88 3HD2 LEU 88 -3.362 -1.664 -10.695 776 HD22 LEU 88 1HD2 LEU 88 -4.293 -2.712 -9.622 777 HD23 LEU 88 2HD2 LEU 88 -2.528 -2.757 -9.594 778 H GLY 89 H GLY 89 -5.372 2.788 -11.181 779 HA2 GLY 89 2HA GLY 89 -7.272 3.925 -11.870 780 HA3 GLY 89 3HA GLY 89 -8.285 2.711 -11.112 781 H TYR 90 H TYR 90 -5.857 3.953 -9.042 782 HA TYR 90 HA TYR 90 -7.779 5.651 -7.612 783 HB2 TYR 90 2HB TYR 90 -4.978 4.749 -6.802 784 HB3 TYR 90 3HB TYR 90 -6.079 5.682 -5.791 785 HD1 TYR 90 HD2 TYR 90 -8.511 4.563 -5.517 786 HD2 TYR 90 HD1 TYR 90 -4.919 2.411 -6.426 787 HE1 TYR 90 HE2 TYR 90 -9.528 2.493 -4.670 788 HE2 TYR 90 HE1 TYR 90 -5.946 0.344 -5.573 789 HH TYR 90 HH TYR 90 -7.770 -0.267 -3.990 790 H ASN 91 H ASN 91 -7.606 7.795 -7.480 791 HA ASN 91 HA ASN 91 -5.695 9.233 -9.170 792 HB2 ASN 91 2HB ASN 91 -8.184 9.734 -9.231 793 HB3 ASN 91 3HB ASN 91 -8.083 10.285 -7.567 794 HD21 ASN 91 1HD2 ASN 91 -7.265 11.008 -10.883 795 HD22 ASN 91 2HD2 ASN 91 -6.891 12.677 -10.635 796 H ASP 92 H ASP 92 -4.607 11.166 -8.262 797 HA ASP 92 HA ASP 92 -3.129 10.710 -5.920 798 HB2 ASP 92 2HB ASP 92 -2.279 12.110 -7.737 799 HB3 ASP 92 3HB ASP 92 -3.555 13.296 -7.479 800 H SER 93 H SER 93 -6.157 12.349 -6.421 801 HA SER 93 HA SER 93 -6.424 13.866 -4.087 802 HB2 SER 93 2HB SER 93 -7.949 14.074 -6.020 803 HB3 SER 93 3HB SER 93 -8.606 12.468 -5.699 804 HG SER 93 HG SER 93 -8.712 14.724 -3.979 805 H ASN 94 H ASN 94 -6.871 10.415 -4.659 806 HA ASN 94 HA ASN 94 -8.121 9.843 -2.135 807 HB2 ASN 94 2HB ASN 94 -6.702 7.880 -3.996 808 HB3 ASN 94 3HB ASN 94 -7.850 7.477 -2.717 809 HD21 ASN 94 1HD2 ASN 94 -10.084 8.338 -2.995 810 HD22 ASN 94 2HD2 ASN 94 -10.721 8.443 -4.602 811 H VAL 95 H VAL 95 -4.808 10.181 -3.224 812 HA VAL 95 HA VAL 95 -3.755 8.528 -0.995 813 HB VAL 95 HB VAL 95 -2.402 9.328 -3.617 814 HG11 VAL 95 1HG1 VAL 95 -1.548 7.289 -1.530 815 HG12 VAL 95 2HG1 VAL 95 -0.785 8.856 -1.816 816 HG13 VAL 95 3HG1 VAL 95 -0.727 7.603 -3.060 817 HG21 VAL 95 3HG2 VAL 95 -4.337 7.855 -4.060 818 HG22 VAL 95 1HG2 VAL 95 -3.703 6.670 -2.911 819 HG23 VAL 95 2HG2 VAL 95 -2.814 7.024 -4.395 820 H THR 96 H THR 96 -3.066 9.789 0.701 821 HA THR 96 HA THR 96 -1.309 12.107 0.090 822 HB THR 96 HB THR 96 -3.421 12.939 1.033 823 HG1 THR 96 HG1 THR 96 -1.782 14.224 1.628 824 HG21 THR 96 3HG2 THR 96 -2.811 11.307 3.520 825 HG22 THR 96 1HG2 THR 96 -4.144 11.020 2.395 826 HG23 THR 96 2HG2 THR 96 -4.105 12.496 3.355 827 H TRP 97 H TRP 97 0.722 11.853 0.785 828 HA TRP 97 HA TRP 97 1.446 9.577 2.482 829 HB2 TRP 97 2HB TRP 97 2.929 11.303 0.497 830 HB3 TRP 97 3HB TRP 97 3.871 10.516 1.756 831 HD1 TRP 97 HD1 TRP 97 1.875 9.690 -1.416 832 HE1 TRP 97 HE1 TRP 97 2.324 7.229 -2.031 833 HE3 TRP 97 HE3 TRP 97 4.479 8.257 2.762 834 HZ2 TRP 97 HZ2 TRP 97 3.612 4.989 -0.898 835 HZ3 TRP 97 HZ3 TRP 97 5.289 5.935 2.916 836 HH2 TRP 97 HH2 TRP 97 4.859 4.333 1.118 837 H ASP 98 H ASP 98 2.554 9.684 4.364 838 HA ASP 98 HA ASP 98 3.717 12.151 5.357 839 HB2 ASP 98 2HB ASP 98 1.342 12.267 6.166 840 HB3 ASP 98 3HB ASP 98 1.558 10.725 6.987 841 H GLY 99 H GLY 99 5.432 10.659 4.706 842 HA2 GLY 99 2HA GLY 99 7.337 9.574 5.291 843 HA3 GLY 99 3HA GLY 99 6.871 9.824 6.959 844 H ASP 100 H ASP 100 5.804 8.190 8.076 845 HA ASP 100 HA ASP 100 6.613 5.516 7.483 846 HB2 ASP 100 2HB ASP 100 6.526 6.357 9.798 847 HB3 ASP 100 3HB ASP 100 4.800 6.654 9.668 848 H THR 101 H THR 101 3.517 7.238 7.409 849 HA THR 101 HA THR 101 2.126 4.829 6.386 850 HB THR 101 HB THR 101 0.875 6.997 8.142 851 HG1 THR 101 HG1 THR 101 2.394 4.809 8.830 852 HG21 THR 101 3HG2 THR 101 -0.955 5.350 8.448 853 HG22 THR 101 1HG2 THR 101 -0.142 4.234 7.358 854 HG23 THR 101 2HG2 THR 101 -0.766 5.768 6.739 855 H VAL 102 H VAL 102 0.954 5.126 4.566 856 HA VAL 102 HA VAL 102 0.337 7.861 3.631 857 HB VAL 102 HB VAL 102 1.563 6.577 1.952 858 HG11 VAL 102 1HG1 VAL 102 1.026 4.282 2.630 859 HG12 VAL 102 2HG1 VAL 102 0.717 4.521 0.909 860 HG13 VAL 102 3HG1 VAL 102 -0.630 4.483 2.049 861 HG21 VAL 102 3HG2 VAL 102 0.008 6.782 0.042 862 HG22 VAL 102 1HG2 VAL 102 -0.126 8.154 1.144 863 HG23 VAL 102 2HG2 VAL 102 -1.354 6.886 1.162 864 H THR 103 H THR 103 -1.720 8.529 3.790 865 HA THR 103 HA THR 103 -3.841 6.661 4.605 866 HB THR 103 HB THR 103 -3.854 9.717 4.563 867 HG1 THR 103 HG1 THR 103 -2.926 7.867 6.422 868 HG21 THR 103 3HG2 THR 103 -5.821 9.490 6.059 869 HG22 THR 103 1HG2 THR 103 -5.764 7.739 5.881 870 HG23 THR 103 2HG2 THR 103 -6.131 8.758 4.481 871 H VAL 104 H VAL 104 -4.664 5.766 2.806 872 HA VAL 104 HA VAL 104 -5.307 7.418 0.441 873 HB VAL 104 HB VAL 104 -5.193 4.366 0.682 874 HG11 VAL 104 1HG1 VAL 104 -5.302 4.366 -1.805 875 HG12 VAL 104 2HG1 VAL 104 -5.494 6.122 -1.793 876 HG13 VAL 104 3HG1 VAL 104 -6.745 5.094 -1.091 877 HG21 VAL 104 3HG2 VAL 104 -3.159 6.248 -0.561 878 HG22 VAL 104 1HG2 VAL 104 -3.080 4.486 -0.566 879 HG23 VAL 104 2HG2 VAL 104 -2.957 5.369 0.956 880 H GLU 105 H GLU 105 -7.378 8.196 0.717 881 HA GLU 105 HA GLU 105 -9.475 6.313 1.638 882 HB2 GLU 105 2HB GLU 105 -9.493 9.368 1.573 883 HB3 GLU 105 3HB GLU 105 -10.873 8.365 2.014 884 HG2 GLU 105 2HG GLU 105 -9.500 7.434 3.910 885 HG3 GLU 105 3HG GLU 105 -8.245 8.610 3.513 886 H GLY 106 H GLY 106 -10.350 5.355 -0.070 887 HA2 GLY 106 2HA GLY 106 -10.818 6.902 -2.568 888 HA3 GLY 106 3HA GLY 106 -10.419 5.189 -2.512 889 H GLN 107 H GLN 107 -12.863 7.030 -3.247 890 HA GLN 107 HA GLN 107 -15.035 5.661 -1.907 891 HB2 GLN 107 2HB GLN 107 -16.533 6.963 -3.269 892 HB3 GLN 107 3HB GLN 107 -15.217 8.045 -2.850 893 HG2 GLN 107 2HG GLN 107 -15.558 6.646 -5.524 894 HG3 GLN 107 3HG GLN 107 -15.976 8.322 -5.192 895 HE21 GLN 107 1HE2 GLN 107 -14.027 7.027 -7.075 896 HE22 GLN 107 2HE2 GLN 107 -12.533 7.842 -6.789 897 H LEU 108 H LEU 108 -16.191 3.909 -2.721 898 HA LEU 108 HA LEU 108 -15.167 2.629 -5.195 899 HB2 LEU 108 2HB LEU 108 -16.289 1.280 -2.707 900 HB3 LEU 108 3HB LEU 108 -15.875 0.447 -4.197 901 HG LEU 108 HG LEU 108 -13.934 1.838 -2.310 902 HD11 LEU 108 1HD1 LEU 108 -14.781 -0.311 -1.491 903 HD12 LEU 108 2HD1 LEU 108 -13.075 -0.412 -1.907 904 HD13 LEU 108 3HD1 LEU 108 -14.285 -1.099 -2.995 905 HD21 LEU 108 3HD2 LEU 108 -13.332 0.429 -4.944 906 HD22 LEU 108 1HD2 LEU 108 -12.128 1.003 -3.785 907 HD23 LEU 108 2HD2 LEU 108 -13.165 2.156 -4.620 908 H GLU 109 H GLU 109 -16.575 1.835 -6.612 909 HA GLU 109 HA GLU 109 -19.234 2.623 -6.889 910 HB2 GLU 109 2HB GLU 109 -19.302 0.787 -8.643 911 HB3 GLU 109 3HB GLU 109 -17.947 1.898 -8.815 912 HG2 GLU 109 2HG GLU 109 -16.454 0.253 -7.738 913 HG3 GLU 109 3HG GLU 109 -17.807 -0.861 -7.555 914 H GLY 110 H GLY 110 -17.779 -0.186 -5.329 915 HA2 GLY 110 2HA GLY 110 -18.549 -1.788 -3.906 916 HA3 GLY 110 3HA GLY 110 -19.983 -0.794 -3.662 917 H VAL 111 H VAL 111 -21.609 -2.278 -3.860 918 HA VAL 111 HA VAL 111 -21.783 -4.019 -6.221 919 HB VAL 111 HB VAL 111 -23.872 -3.760 -4.005 920 HG11 VAL 111 1HG1 VAL 111 -23.271 -6.046 -5.927 921 HG12 VAL 111 2HG1 VAL 111 -24.634 -4.930 -6.039 922 HG13 VAL 111 3HG1 VAL 111 -24.523 -6.052 -4.680 923 HG21 VAL 111 3HG2 VAL 111 -21.471 -5.640 -4.008 924 HG22 VAL 111 1HG2 VAL 111 -22.808 -5.688 -2.854 925 HG23 VAL 111 2HG2 VAL 111 -21.734 -4.288 -2.902 926 H ASP 112 H ASP 112 -21.645 -1.691 -7.234 927 HA ASP 112 HA ASP 112 -22.497 -0.000 -8.460 928 HB2 ASP 112 2HB ASP 112 -23.665 -1.932 -9.568 929 HB3 ASP 112 3HB ASP 112 -25.044 -1.690 -8.501 930 H LEU 113 H LEU 113 -22.748 0.086 -5.521 931 HA LEU 113 HA LEU 113 -25.262 1.299 -4.804 932 HB2 LEU 113 2HB LEU 113 -22.638 1.211 -3.256 933 HB3 LEU 113 3HB LEU 113 -24.209 1.656 -2.600 934 HG LEU 113 HG LEU 113 -23.415 -1.106 -3.615 935 HD11 LEU 113 1HD1 LEU 113 -23.973 -0.163 -0.786 936 HD12 LEU 113 2HD1 LEU 113 -22.389 -0.539 -1.468 937 HD13 LEU 113 3HD1 LEU 113 -23.589 -1.812 -1.287 938 HD21 LEU 113 3HD2 LEU 113 -25.782 -0.698 -4.095 939 HD22 LEU 113 1HD2 LEU 113 -26.067 -0.213 -2.419 940 HD23 LEU 113 2HD2 LEU 113 -25.606 -1.876 -2.798 941 H GLU 114 H GLU 114 -25.776 3.419 -4.827 942 HA GLU 114 HA GLU 114 -24.123 5.345 -6.145 943 HB2 GLU 114 2HB GLU 114 -26.668 5.866 -4.553 944 HB3 GLU 114 3HB GLU 114 -25.961 6.903 -5.792 945 HG2 GLU 114 2HG GLU 114 -26.436 5.138 -7.490 946 HG3 GLU 114 3HG GLU 114 -27.196 4.168 -6.228 947 H HIS 115 H HIS 115 -22.458 6.329 -5.170 948 HA HIS 115 HA HIS 115 -22.064 6.549 -2.346 949 HB2 HIS 115 2HB HIS 115 -20.172 6.367 -3.908 950 HB3 HIS 115 3HB HIS 115 -20.632 7.870 -4.691 951 HD1 HIS 115 HD1 HIS 115 -19.897 10.050 -3.588 952 HD2 HIS 115 HD2 HIS 115 -18.911 6.678 -1.377 953 HE1 HIS 115 HE1 HIS 115 -18.277 10.839 -1.843 954 HE2 HIS 115 HE2 HIS 115 -17.830 8.809 -0.428 955 H HIS 116 H HIS 116 -23.833 7.651 -1.516 956 HA HIS 116 HA HIS 116 -24.204 10.515 -2.165 957 HB2 HIS 116 2HB HIS 116 -25.942 8.523 -0.643 958 HB3 HIS 116 3HB HIS 116 -26.265 10.254 -0.640 959 HD1 HIS 116 HD1 HIS 116 -26.792 11.316 -3.054 960 HD2 HIS 116 HD2 HIS 116 -27.048 7.178 -2.782 961 HE1 HIS 116 HE1 HIS 116 -28.131 10.591 -5.048 962 HE2 HIS 116 HE2 HIS 116 -28.448 8.116 -4.746 963 H HIS 117 H HIS 117 -24.190 12.046 -0.486 964 HA HIS 117 HA HIS 117 -23.440 11.340 2.227 965 HB2 HIS 117 2HB HIS 117 -21.230 11.470 1.022 966 HB3 HIS 117 3HB HIS 117 -21.593 13.131 0.569 967 HD1 HIS 117 HD1 HIS 117 -21.287 14.947 2.358 968 HD2 HIS 117 HD2 HIS 117 -20.595 11.109 3.792 969 HE1 HIS 117 HE1 HIS 117 -20.241 15.240 4.614 970 HE2 HIS 117 HE2 HIS 117 -19.671 12.916 5.369 971 H HIS 118 H HIS 118 -25.110 12.367 3.123 972 HA HIS 118 HA HIS 118 -26.074 14.966 2.239 973 HB2 HIS 118 2HB HIS 118 -27.011 13.072 4.440 974 HB3 HIS 118 3HB HIS 118 -27.756 14.634 4.134 975 HD1 HIS 118 HD1 HIS 118 -29.579 14.695 2.435 976 HD2 HIS 118 HD2 HIS 118 -27.308 11.228 2.155 977 HE1 HIS 118 HE1 HIS 118 -30.773 13.237 0.780 978 HE2 HIS 118 HE2 HIS 118 -29.451 11.101 0.730 979 H HIS 119 H HIS 119 -26.308 16.772 3.694 980 HA HIS 119 HA HIS 119 -24.684 16.844 6.147 981 HB2 HIS 119 2HB HIS 119 -23.171 17.649 4.351 982 HB3 HIS 119 3HB HIS 119 -24.359 18.848 3.858 983 HD1 HIS 119 HD1 HIS 119 -23.391 21.057 4.478 984 HD2 HIS 119 HD2 HIS 119 -22.757 18.224 7.461 985 HE1 HIS 119 HE1 HIS 119 -22.266 22.280 6.360 986 HE2 HIS 119 HE2 HIS 119 -22.084 20.595 8.209 987 H HIS 120 H HIS 120 -27.481 17.758 4.383 988 HA HIS 120 HA HIS 120 -28.319 19.998 5.953 989 HB2 HIS 120 2HB HIS 120 -29.889 18.097 4.175 990 HB3 HIS 120 3HB HIS 120 -30.613 19.485 4.972 991 HD1 HIS 120 HD1 HIS 120 -29.751 18.680 1.776 992 HD2 HIS 120 HD2 HIS 120 -28.669 21.895 4.175 993 HE1 HIS 120 HE1 HIS 120 -29.075 20.504 0.193 994 HE2 HIS 120 HE2 HIS 120 -28.228 22.347 1.673 Start of MODEL 12 1 H1 MET 1 1H MET 1 21.433 -0.754 -3.907 2 H2 MET 1 2H MET 1 22.501 -1.848 -4.636 3 H3 MET 1 3H MET 1 22.387 -1.766 -2.950 4 HA MET 1 HA MET 1 20.237 -2.602 -4.780 5 HB2 MET 1 2HB MET 1 22.066 -4.255 -4.670 6 HB3 MET 1 3HB MET 1 21.995 -4.254 -2.916 7 HG2 MET 1 2HG MET 1 19.807 -5.308 -2.958 8 HG3 MET 1 3HG MET 1 19.736 -5.180 -4.716 9 HE1 MET 1 3HE MET 1 22.473 -7.758 -5.848 10 HE2 MET 1 1HE MET 1 22.680 -6.018 -5.650 11 HE3 MET 1 2HE MET 1 21.207 -6.654 -6.385 12 H SER 2 H SER 2 18.250 -2.789 -3.882 13 HA SER 2 HA SER 2 17.833 -1.863 -1.107 14 HB2 SER 2 2HB SER 2 15.853 -2.089 -3.430 15 HB3 SER 2 3HB SER 2 15.545 -1.322 -1.870 16 HG SER 2 HG SER 2 17.651 -0.123 -2.655 17 H GLY 3 H GLY 3 18.781 -4.510 -1.555 18 HA2 GLY 3 2HA GLY 3 16.743 -6.496 -1.564 19 HA3 GLY 3 3HA GLY 3 18.419 -6.709 -1.093 20 H LYS 4 H LYS 4 15.247 -5.690 0.035 21 HA LYS 4 HA LYS 4 15.926 -6.352 2.811 22 HB2 LYS 4 2HB LYS 4 16.424 -3.847 2.243 23 HB3 LYS 4 3HB LYS 4 14.684 -3.649 2.134 24 HG2 LYS 4 2HG LYS 4 14.899 -3.052 4.327 25 HG3 LYS 4 3HG LYS 4 14.829 -4.789 4.606 26 HD2 LYS 4 2HD LYS 4 17.378 -3.137 4.362 27 HD3 LYS 4 3HD LYS 4 16.652 -3.654 5.878 28 HE2 LYS 4 2HE LYS 4 17.748 -5.541 3.755 29 HE3 LYS 4 3HE LYS 4 18.607 -5.040 5.208 30 HZ1 LYS 4 3HZ LYS 4 16.864 -6.075 6.540 31 HZ2 LYS 4 1HZ LYS 4 17.616 -7.187 5.515 32 HZ3 LYS 4 2HZ LYS 4 16.079 -6.597 5.136 33 H LYS 5 H LYS 5 14.134 -7.005 3.993 34 HA LYS 5 HA LYS 5 11.592 -7.397 2.633 35 HB2 LYS 5 2HB LYS 5 12.552 -9.201 4.068 36 HB3 LYS 5 3HB LYS 5 12.460 -8.133 5.465 37 HG2 LYS 5 2HG LYS 5 9.937 -8.027 5.100 38 HG3 LYS 5 3HG LYS 5 10.135 -9.281 3.878 39 HD2 LYS 5 2HD LYS 5 9.462 -10.429 5.846 40 HD3 LYS 5 3HD LYS 5 11.194 -10.724 5.720 41 HE2 LYS 5 2HE LYS 5 10.011 -8.550 7.481 42 HE3 LYS 5 3HE LYS 5 10.306 -10.190 8.046 43 HZ1 LYS 5 3HZ LYS 5 12.359 -8.292 7.059 44 HZ2 LYS 5 1HZ LYS 5 12.659 -9.890 7.524 45 HZ3 LYS 5 2HZ LYS 5 12.110 -8.763 8.659 46 H VAL 6 H VAL 6 10.279 -5.679 2.585 47 HA VAL 6 HA VAL 6 9.919 -3.983 4.983 48 HB VAL 6 HB VAL 6 10.153 -2.537 3.085 49 HG11 VAL 6 1HG1 VAL 6 9.902 -4.203 1.285 50 HG12 VAL 6 2HG1 VAL 6 8.929 -2.765 0.964 51 HG13 VAL 6 3HG1 VAL 6 8.159 -4.241 1.555 52 HG21 VAL 6 3HG2 VAL 6 7.957 -1.436 2.860 53 HG22 VAL 6 1HG2 VAL 6 8.244 -1.924 4.534 54 HG23 VAL 6 2HG2 VAL 6 7.158 -2.868 3.510 55 H GLU 7 H GLU 7 8.020 -4.064 6.071 56 HA GLU 7 HA GLU 7 6.055 -6.144 5.323 57 HB2 GLU 7 2HB GLU 7 6.508 -4.765 8.003 58 HB3 GLU 7 3HB GLU 7 5.257 -5.961 7.685 59 HG2 GLU 7 2HG GLU 7 6.951 -7.679 7.264 60 HG3 GLU 7 3HG GLU 7 8.235 -6.483 7.451 61 H VAL 8 H VAL 8 4.414 -5.377 4.249 62 HA VAL 8 HA VAL 8 3.652 -2.546 4.349 63 HB VAL 8 HB VAL 8 2.921 -4.776 2.380 64 HG11 VAL 8 1HG1 VAL 8 1.073 -3.146 2.514 65 HG12 VAL 8 2HG1 VAL 8 1.904 -3.028 0.962 66 HG13 VAL 8 3HG1 VAL 8 2.205 -1.826 2.217 67 HG21 VAL 8 3HG2 VAL 8 4.759 -2.374 2.043 68 HG22 VAL 8 1HG2 VAL 8 4.374 -3.560 0.791 69 HG23 VAL 8 2HG2 VAL 8 5.276 -4.052 2.227 70 H GLN 9 H GLN 9 2.156 -2.115 5.868 71 HA GLN 9 HA GLN 9 0.280 -4.212 6.766 72 HB2 GLN 9 2HB GLN 9 0.883 -1.482 8.004 73 HB3 GLN 9 3HB GLN 9 -0.058 -2.780 8.735 74 HG2 GLN 9 2HG GLN 9 2.005 -4.191 8.794 75 HG3 GLN 9 3HG GLN 9 2.919 -2.828 8.148 76 HE21 GLN 9 1HE2 GLN 9 1.174 -4.037 10.944 77 HE22 GLN 9 2HE2 GLN 9 1.834 -2.906 12.074 78 H VAL 10 H VAL 10 -1.429 -4.192 5.354 79 HA VAL 10 HA VAL 10 -2.540 -1.642 4.382 80 HB VAL 10 HB VAL 10 -3.204 -4.508 3.523 81 HG11 VAL 10 1HG1 VAL 10 -4.382 -3.473 1.607 82 HG12 VAL 10 2HG1 VAL 10 -4.049 -1.869 2.265 83 HG13 VAL 10 3HG1 VAL 10 -5.105 -2.979 3.142 84 HG21 VAL 10 3HG2 VAL 10 -1.915 -4.009 1.472 85 HG22 VAL 10 1HG2 VAL 10 -0.895 -3.885 2.910 86 HG23 VAL 10 2HG2 VAL 10 -1.488 -2.423 2.118 87 H LYS 11 H LYS 11 -3.961 -0.766 5.754 88 HA LYS 11 HA LYS 11 -5.882 -2.460 7.258 89 HB2 LYS 11 2HB LYS 11 -4.302 -1.039 8.608 90 HB3 LYS 11 3HB LYS 11 -4.916 0.395 7.791 91 HG2 LYS 11 2HG LYS 11 -7.228 -0.238 8.740 92 HG3 LYS 11 3HG LYS 11 -6.379 -1.406 9.756 93 HD2 LYS 11 2HD LYS 11 -6.055 1.617 9.758 94 HD3 LYS 11 3HD LYS 11 -6.763 0.623 11.031 95 HE2 LYS 11 2HE LYS 11 -3.843 0.610 10.181 96 HE3 LYS 11 3HE LYS 11 -4.503 1.363 11.629 97 HZ1 LYS 11 3HZ LYS 11 -3.525 -0.745 12.168 98 HZ2 LYS 11 1HZ LYS 11 -4.495 -1.545 11.035 99 HZ3 LYS 11 2HZ LYS 11 -5.197 -0.835 12.392 100 H ILE 12 H ILE 12 -7.715 -2.544 5.945 101 HA ILE 12 HA ILE 12 -8.605 -0.011 4.685 102 HB ILE 12 HB ILE 12 -8.027 -1.658 2.991 103 HG12 ILE 12 2HG1 ILE 12 -11.045 -1.280 3.172 104 HG13 ILE 12 3HG1 ILE 12 -9.903 -0.087 2.565 105 HG21 ILE 12 1HG2 ILE 12 -8.351 -3.755 4.221 106 HG22 ILE 12 2HG2 ILE 12 -9.221 -3.787 2.686 107 HG23 ILE 12 3HG2 ILE 12 -10.101 -3.514 4.193 108 HD11 ILE 12 3HD1 ILE 12 -11.045 -1.195 0.757 109 HD12 ILE 12 1HD1 ILE 12 -10.486 -2.770 1.321 110 HD13 ILE 12 2HD1 ILE 12 -9.327 -1.580 0.722 111 H THR 13 H THR 13 -10.406 0.863 5.397 112 HA THR 13 HA THR 13 -12.163 -0.620 7.244 113 HB THR 13 HB THR 13 -12.019 2.396 6.770 114 HG1 THR 13 HG1 THR 13 -10.073 1.108 7.690 115 HG21 THR 13 3HG2 THR 13 -13.126 2.557 8.975 116 HG22 THR 13 1HG2 THR 13 -13.158 0.802 9.109 117 HG23 THR 13 2HG2 THR 13 -14.118 1.608 7.863 118 H CYS 14 H CYS 14 -13.726 -1.609 6.020 119 HA CYS 14 HA CYS 14 -15.142 -0.088 3.888 120 HB2 CYS 14 2HB CYS 14 -14.020 -2.036 2.965 121 HB3 CYS 14 3HB CYS 14 -14.679 -3.077 4.217 122 H ASN 15 H ASN 15 -17.184 0.386 4.235 123 HA ASN 15 HA ASN 15 -19.334 0.410 4.842 124 HB2 ASN 15 2HB ASN 15 -19.457 -1.993 4.322 125 HB3 ASN 15 3HB ASN 15 -18.844 -2.392 5.925 126 HD21 ASN 15 1HD2 ASN 15 -21.619 -1.206 4.127 127 HD22 ASN 15 2HD2 ASN 15 -22.773 -1.427 5.397 128 H GLY 16 H GLY 16 -17.994 -1.410 7.621 129 HA2 GLY 16 2HA GLY 16 -17.795 0.933 9.306 130 HA3 GLY 16 3HA GLY 16 -19.150 -0.117 9.722 131 H LYS 17 H LYS 17 -16.428 -1.730 8.367 132 HA LYS 17 HA LYS 17 -15.396 -2.538 11.035 133 HB2 LYS 17 2HB LYS 17 -15.890 -4.371 8.638 134 HB3 LYS 17 3HB LYS 17 -15.083 -4.851 10.127 135 HG2 LYS 17 2HG LYS 17 -17.171 -4.498 11.397 136 HG3 LYS 17 3HG LYS 17 -17.974 -3.948 9.924 137 HD2 LYS 17 2HD LYS 17 -18.579 -6.277 10.423 138 HD3 LYS 17 3HD LYS 17 -17.681 -6.176 8.906 139 HE2 LYS 17 2HE LYS 17 -16.930 -8.105 10.208 140 HE3 LYS 17 3HE LYS 17 -15.624 -6.922 10.117 141 HZ1 LYS 17 3HZ LYS 17 -17.466 -7.308 12.428 142 HZ2 LYS 17 1HZ LYS 17 -16.217 -6.168 12.350 143 HZ3 LYS 17 2HZ LYS 17 -15.857 -7.816 12.348 144 H THR 18 H THR 18 -13.205 -3.302 11.041 145 HA THR 18 HA THR 18 -11.476 -2.104 8.964 146 HB THR 18 HB THR 18 -10.791 -2.894 11.843 147 HG1 THR 18 HG1 THR 18 -11.280 -0.901 12.365 148 HG21 THR 18 3HG2 THR 18 -9.147 -1.330 9.815 149 HG22 THR 18 1HG2 THR 18 -8.806 -2.981 10.349 150 HG23 THR 18 2HG2 THR 18 -8.698 -1.640 11.491 151 H TYR 19 H TYR 19 -10.533 -3.483 7.606 152 HA TYR 19 HA TYR 19 -10.005 -6.305 8.352 153 HB2 TYR 19 2HB TYR 19 -10.394 -5.208 5.517 154 HB3 TYR 19 3HB TYR 19 -10.302 -6.897 6.004 155 HD1 TYR 19 HD1 TYR 19 -12.243 -8.004 7.095 156 HD2 TYR 19 HD2 TYR 19 -12.469 -3.929 5.812 157 HE1 TYR 19 HE1 TYR 19 -14.692 -8.053 7.331 158 HE2 TYR 19 HE2 TYR 19 -14.905 -3.980 6.047 159 HH TYR 19 HH TYR 19 -16.717 -5.641 6.045 160 H GLU 20 H GLU 20 -7.841 -6.382 8.881 161 HA GLU 20 HA GLU 20 -5.899 -5.027 7.108 162 HB2 GLU 20 2HB GLU 20 -4.636 -4.178 9.057 163 HB3 GLU 20 3HB GLU 20 -6.251 -3.488 8.956 164 HG2 GLU 20 2HG GLU 20 -7.034 -4.976 10.747 165 HG3 GLU 20 3HG GLU 20 -5.452 -5.750 10.821 166 H ARG 21 H ARG 21 -3.795 -5.795 7.145 167 HA ARG 21 HA ARG 21 -2.955 -8.037 8.733 168 HB2 ARG 21 2HB ARG 21 -4.310 -9.251 7.060 169 HB3 ARG 21 3HB ARG 21 -3.460 -8.451 5.740 170 HG2 ARG 21 2HG ARG 21 -1.380 -9.603 6.351 171 HG3 ARG 21 3HG ARG 21 -2.180 -10.351 7.733 172 HD2 ARG 21 2HD ARG 21 -3.662 -11.602 6.230 173 HD3 ARG 21 3HD ARG 21 -2.940 -10.798 4.829 174 HE ARG 21 HE ARG 21 -1.004 -12.151 6.457 175 HH11 ARG 21 1HH1 ARG 21 -3.346 -12.697 3.868 176 HH12 ARG 21 2HH1 ARG 21 -2.517 -14.106 3.279 177 HH21 ARG 21 1HH2 ARG 21 0.029 -14.002 5.663 178 HH22 ARG 21 2HH2 ARG 21 -0.627 -14.831 4.289 179 H THR 22 H THR 22 -0.750 -8.139 8.820 180 HA THR 22 HA THR 22 0.858 -6.184 7.354 181 HB THR 22 HB THR 22 1.596 -8.108 9.617 182 HG1 THR 22 HG1 THR 22 0.065 -6.191 9.932 183 HG21 THR 22 3HG2 THR 22 3.595 -7.484 8.303 184 HG22 THR 22 1HG2 THR 22 3.623 -6.694 9.884 185 HG23 THR 22 2HG2 THR 22 3.166 -5.778 8.446 186 H TYR 23 H TYR 23 1.672 -6.812 5.412 187 HA TYR 23 HA TYR 23 2.080 -9.666 4.759 188 HB2 TYR 23 2HB TYR 23 2.086 -7.200 2.945 189 HB3 TYR 23 3HB TYR 23 2.194 -8.871 2.402 190 HD1 TYR 23 HD2 TYR 23 0.185 -10.365 2.533 191 HD2 TYR 23 HD1 TYR 23 -0.061 -6.231 3.593 192 HE1 TYR 23 HE2 TYR 23 -2.272 -10.471 2.412 193 HE2 TYR 23 HE1 TYR 23 -2.509 -6.338 3.478 194 HH TYR 23 HH TYR 23 -4.238 -7.732 2.337 195 H GLN 24 H GLN 24 4.077 -10.495 4.517 196 HA GLN 24 HA GLN 24 6.443 -8.776 4.960 197 HB2 GLN 24 2HB GLN 24 6.106 -11.811 4.968 198 HB3 GLN 24 3HB GLN 24 7.680 -11.028 5.030 199 HG2 GLN 24 2HG GLN 24 7.025 -11.707 7.264 200 HG3 GLN 24 3HG GLN 24 7.073 -9.951 7.168 201 HE21 GLN 24 1HE2 GLN 24 5.163 -8.794 7.438 202 HE22 GLN 24 2HE2 GLN 24 3.687 -9.522 7.960 203 H LEU 25 H LEU 25 7.245 -7.891 3.153 204 HA LEU 25 HA LEU 25 7.221 -9.413 0.607 205 HB2 LEU 25 2HB LEU 25 6.721 -6.419 0.973 206 HB3 LEU 25 3HB LEU 25 6.854 -7.241 -0.573 207 HG LEU 25 HG LEU 25 4.637 -7.629 1.479 208 HD11 LEU 25 1HD1 LEU 25 4.432 -5.536 0.236 209 HD12 LEU 25 2HD1 LEU 25 3.165 -6.666 -0.228 210 HD13 LEU 25 3HD1 LEU 25 4.547 -6.405 -1.297 211 HD21 LEU 25 3HD2 LEU 25 5.109 -9.765 0.395 212 HD22 LEU 25 1HD2 LEU 25 5.005 -9.013 -1.201 213 HD23 LEU 25 2HD2 LEU 25 3.572 -9.120 -0.172 214 H TYR 26 H TYR 26 9.323 -10.064 0.589 215 HA TYR 26 HA TYR 26 11.524 -8.199 0.969 216 HB2 TYR 26 2HB TYR 26 11.785 -10.589 1.636 217 HB3 TYR 26 3HB TYR 26 11.549 -11.093 -0.037 218 HD1 TYR 26 HD1 TYR 26 13.850 -9.316 2.274 219 HD2 TYR 26 HD2 TYR 26 13.407 -10.941 -1.655 220 HE1 TYR 26 HE1 TYR 26 16.242 -8.996 1.873 221 HE2 TYR 26 HE2 TYR 26 15.816 -10.625 -2.054 222 HH TYR 26 HH TYR 26 17.635 -9.155 -1.178 223 H ALA 27 H ALA 27 12.471 -7.058 -0.622 224 HA ALA 27 HA ALA 27 12.095 -7.816 -3.463 225 HB1 ALA 27 3HB ALA 27 11.896 -5.400 -4.001 226 HB2 ALA 27 1HB ALA 27 11.894 -5.023 -2.278 227 HB3 ALA 27 2HB ALA 27 10.576 -5.963 -2.983 228 H VAL 28 H VAL 28 13.852 -7.335 -4.785 229 HA VAL 28 HA VAL 28 16.461 -7.014 -3.498 230 HB VAL 28 HB VAL 28 15.773 -7.496 -6.445 231 HG11 VAL 28 1HG1 VAL 28 18.123 -8.224 -6.689 232 HG12 VAL 28 2HG1 VAL 28 18.436 -7.792 -5.007 233 HG13 VAL 28 3HG1 VAL 28 18.020 -6.537 -6.177 234 HG21 VAL 28 3HG2 VAL 28 16.338 -9.871 -6.033 235 HG22 VAL 28 1HG2 VAL 28 14.961 -9.355 -5.052 236 HG23 VAL 28 2HG2 VAL 28 16.557 -9.524 -4.315 237 H ARG 29 H ARG 29 14.375 -5.401 -5.790 238 HA ARG 29 HA ARG 29 15.745 -2.821 -5.341 239 HB2 ARG 29 2HB ARG 29 13.972 -3.530 -7.744 240 HB3 ARG 29 3HB ARG 29 14.936 -2.070 -7.522 241 HG2 ARG 29 2HG ARG 29 17.005 -3.381 -7.784 242 HG3 ARG 29 3HG ARG 29 16.051 -4.861 -7.938 243 HD2 ARG 29 2HD ARG 29 14.935 -3.799 -9.977 244 HD3 ARG 29 3HD ARG 29 16.148 -2.514 -9.870 245 HE ARG 29 HE ARG 29 17.330 -5.103 -9.891 246 HH11 ARG 29 1HH1 ARG 29 15.953 -2.716 -12.064 247 HH12 ARG 29 2HH1 ARG 29 16.836 -3.288 -13.446 248 HH21 ARG 29 1HH2 ARG 29 18.425 -5.899 -11.700 249 HH22 ARG 29 2HH2 ARG 29 18.241 -5.100 -13.229 250 H ASP 30 H ASP 30 14.282 -1.076 -4.947 251 HA ASP 30 HA ASP 30 11.777 -1.425 -3.756 252 HB2 ASP 30 2HB ASP 30 11.423 1.016 -4.264 253 HB3 ASP 30 3HB ASP 30 12.965 0.665 -3.492 254 H GLU 31 H GLU 31 12.710 -1.203 -7.109 255 HA GLU 31 HA GLU 31 10.211 -0.877 -8.375 256 HB2 GLU 31 2HB GLU 31 12.750 -2.213 -9.392 257 HB3 GLU 31 3HB GLU 31 11.390 -1.729 -10.407 258 HG2 GLU 31 2HG GLU 31 11.773 0.639 -9.797 259 HG3 GLU 31 3HG GLU 31 13.123 0.153 -8.765 260 H GLU 32 H GLU 32 11.813 -3.753 -7.082 261 HA GLU 32 HA GLU 32 10.176 -5.695 -8.366 262 HB2 GLU 32 2HB GLU 32 11.598 -5.956 -5.688 263 HB3 GLU 32 3HB GLU 32 10.983 -7.282 -6.665 264 HG2 GLU 32 2HG GLU 32 13.273 -5.427 -7.332 265 HG3 GLU 32 3HG GLU 32 13.390 -7.123 -6.887 266 H LEU 33 H LEU 33 9.797 -3.726 -5.494 267 HA LEU 33 HA LEU 33 7.669 -5.192 -4.291 268 HB2 LEU 33 2HB LEU 33 9.401 -3.214 -3.436 269 HB3 LEU 33 3HB LEU 33 7.929 -2.289 -3.611 270 HG LEU 33 HG LEU 33 8.213 -3.017 -1.295 271 HD11 LEU 33 1HD1 LEU 33 5.905 -2.855 -2.032 272 HD12 LEU 33 2HD1 LEU 33 6.094 -4.115 -0.818 273 HD13 LEU 33 3HD1 LEU 33 5.914 -4.550 -2.522 274 HD21 LEU 33 3HD2 LEU 33 8.174 -5.386 -0.620 275 HD22 LEU 33 1HD2 LEU 33 9.586 -4.983 -1.591 276 HD23 LEU 33 2HD2 LEU 33 8.246 -5.867 -2.317 277 H LYS 34 H LYS 34 7.753 -3.000 -6.949 278 HA LYS 34 HA LYS 34 5.342 -1.628 -6.869 279 HB2 LYS 34 2HB LYS 34 6.785 -2.827 -9.268 280 HB3 LYS 34 3HB LYS 34 5.422 -1.720 -9.413 281 HG2 LYS 34 2HG LYS 34 6.707 0.060 -8.335 282 HG3 LYS 34 3HG LYS 34 8.059 -1.050 -8.074 283 HD2 LYS 34 2HD LYS 34 8.431 0.436 -10.035 284 HD3 LYS 34 3HD LYS 34 8.406 -1.272 -10.486 285 HE2 LYS 34 2HE LYS 34 7.158 0.091 -12.111 286 HE3 LYS 34 3HE LYS 34 6.068 -1.018 -11.274 287 HZ1 LYS 34 3HZ LYS 34 5.021 1.076 -11.355 288 HZ2 LYS 34 1HZ LYS 34 6.399 1.893 -10.836 289 HZ3 LYS 34 2HZ LYS 34 5.549 0.903 -9.760 290 H GLU 35 H GLU 35 5.846 -4.645 -8.721 291 HA GLU 35 HA GLU 35 3.167 -5.172 -9.260 292 HB2 GLU 35 2HB GLU 35 3.997 -7.500 -9.855 293 HB3 GLU 35 3HB GLU 35 4.797 -6.161 -10.657 294 HG2 GLU 35 2HG GLU 35 6.584 -7.537 -10.164 295 HG3 GLU 35 3HG GLU 35 6.619 -6.425 -8.801 296 H LYS 36 H LYS 36 5.078 -5.993 -6.436 297 HA LYS 36 HA LYS 36 3.374 -7.959 -5.314 298 HB2 LYS 36 2HB LYS 36 5.216 -6.069 -3.783 299 HB3 LYS 36 3HB LYS 36 4.598 -7.627 -3.227 300 HG2 LYS 36 2HG LYS 36 5.868 -8.748 -5.062 301 HG3 LYS 36 3HG LYS 36 6.524 -7.174 -5.524 302 HD2 LYS 36 2HD LYS 36 7.432 -7.041 -3.108 303 HD3 LYS 36 3HD LYS 36 7.049 -8.760 -2.993 304 HE2 LYS 36 2HE LYS 36 8.980 -7.432 -4.917 305 HE3 LYS 36 3HE LYS 36 9.381 -8.519 -3.592 306 HZ1 LYS 36 3HZ LYS 36 7.893 -9.238 -6.055 307 HZ2 LYS 36 1HZ LYS 36 8.217 -10.291 -4.773 308 HZ3 LYS 36 2HZ LYS 36 9.490 -9.661 -5.695 309 H LEU 37 H LEU 37 3.630 -4.435 -4.835 310 HA LEU 37 HA LEU 37 1.570 -4.061 -2.960 311 HB2 LEU 37 2HB LEU 37 2.656 -2.211 -5.116 312 HB3 LEU 37 3HB LEU 37 1.489 -1.686 -3.912 313 HG LEU 37 HG LEU 37 4.248 -2.750 -3.220 314 HD11 LEU 37 1HD1 LEU 37 4.900 -0.424 -2.848 315 HD12 LEU 37 2HD1 LEU 37 3.335 0.124 -3.453 316 HD13 LEU 37 3HD1 LEU 37 4.458 -0.709 -4.529 317 HD21 LEU 37 3HD2 LEU 37 2.203 -1.274 -1.521 318 HD22 LEU 37 1HD2 LEU 37 3.823 -1.761 -1.011 319 HD23 LEU 37 2HD2 LEU 37 2.618 -2.986 -1.395 320 H LYS 38 H LYS 38 1.504 -4.015 -6.565 321 HA LYS 38 HA LYS 38 -1.138 -3.262 -6.935 322 HB2 LYS 38 2HB LYS 38 0.563 -5.076 -8.697 323 HB3 LYS 38 3HB LYS 38 -0.931 -4.283 -9.202 324 HG2 LYS 38 2HG LYS 38 0.146 -2.063 -8.757 325 HG3 LYS 38 3HG LYS 38 1.643 -2.912 -8.371 326 HD2 LYS 38 2HD LYS 38 1.786 -2.079 -10.640 327 HD3 LYS 38 3HD LYS 38 1.670 -3.839 -10.699 328 HE2 LYS 38 2HE LYS 38 -0.719 -3.675 -11.282 329 HE3 LYS 38 3HE LYS 38 -0.645 -1.915 -11.151 330 HZ1 LYS 38 3HZ LYS 38 -0.501 -2.627 -13.444 331 HZ2 LYS 38 1HZ LYS 38 0.871 -3.563 -13.113 332 HZ3 LYS 38 2HZ LYS 38 0.938 -1.882 -12.974 333 H LYS 39 H LYS 39 0.223 -6.583 -6.725 334 HA LYS 39 HA LYS 39 -2.273 -7.897 -7.024 335 HB2 LYS 39 2HB LYS 39 0.261 -8.989 -5.739 336 HB3 LYS 39 3HB LYS 39 -1.114 -9.954 -6.265 337 HG2 LYS 39 2HG LYS 39 0.795 -8.375 -8.001 338 HG3 LYS 39 3HG LYS 39 0.643 -10.128 -7.916 339 HD2 LYS 39 2HD LYS 39 -1.626 -9.970 -8.937 340 HD3 LYS 39 3HD LYS 39 -1.469 -8.210 -8.997 341 HE2 LYS 39 2HE LYS 39 0.524 -8.486 -10.486 342 HE3 LYS 39 3HE LYS 39 0.233 -10.228 -10.504 343 HZ1 LYS 39 3HZ LYS 39 -1.656 -8.147 -11.456 344 HZ2 LYS 39 1HZ LYS 39 -1.937 -9.814 -11.485 345 HZ3 LYS 39 2HZ LYS 39 -0.717 -9.143 -12.442 346 H VAL 40 H VAL 40 -0.377 -7.098 -4.084 347 HA VAL 40 HA VAL 40 -1.982 -8.267 -2.130 348 HB VAL 40 HB VAL 40 -0.189 -5.790 -2.004 349 HG11 VAL 40 1HG1 VAL 40 -1.573 -7.098 0.362 350 HG12 VAL 40 2HG1 VAL 40 -1.874 -5.469 -0.249 351 HG13 VAL 40 3HG1 VAL 40 -0.311 -5.866 0.467 352 HG21 VAL 40 3HG2 VAL 40 0.969 -7.951 -2.319 353 HG22 VAL 40 1HG2 VAL 40 0.186 -8.591 -0.875 354 HG23 VAL 40 2HG2 VAL 40 1.343 -7.264 -0.736 355 H LEU 41 H LEU 41 -2.266 -5.025 -3.591 356 HA LEU 41 HA LEU 41 -4.428 -4.109 -2.007 357 HB2 LEU 41 2HB LEU 41 -3.276 -3.217 -4.663 358 HB3 LEU 41 3HB LEU 41 -4.726 -2.458 -4.026 359 HG LEU 41 HG LEU 41 -2.042 -2.519 -2.578 360 HD11 LEU 41 1HD1 LEU 41 -1.923 -1.134 -4.598 361 HD12 LEU 41 2HD1 LEU 41 -1.858 -0.143 -3.142 362 HD13 LEU 41 3HD1 LEU 41 -3.351 -0.231 -4.082 363 HD21 LEU 41 3HD2 LEU 41 -4.609 -1.031 -1.914 364 HD22 LEU 41 1HD2 LEU 41 -3.071 -0.878 -1.062 365 HD23 LEU 41 2HD2 LEU 41 -3.940 -2.408 -1.029 366 H ASN 42 H ASN 42 -4.364 -5.553 -5.299 367 HA ASN 42 HA ASN 42 -7.117 -5.498 -5.848 368 HB2 ASN 42 2HB ASN 42 -5.049 -7.564 -6.752 369 HB3 ASN 42 3HB ASN 42 -6.645 -7.369 -7.470 370 HD21 ASN 42 1HD2 ASN 42 -3.973 -7.139 -8.624 371 HD22 ASN 42 2HD2 ASN 42 -3.900 -5.576 -9.351 372 H GLU 43 H GLU 43 -5.178 -8.069 -4.341 373 HA GLU 43 HA GLU 43 -7.229 -10.008 -4.062 374 HB2 GLU 43 2HB GLU 43 -4.541 -9.716 -2.642 375 HB3 GLU 43 3HB GLU 43 -5.573 -11.138 -2.513 376 HG2 GLU 43 2HG GLU 43 -5.342 -11.519 -4.945 377 HG3 GLU 43 3HG GLU 43 -4.296 -10.110 -5.070 378 H ARG 44 H ARG 44 -5.869 -7.604 -1.800 379 HA ARG 44 HA ARG 44 -7.438 -8.298 0.435 380 HB2 ARG 44 2HB ARG 44 -5.401 -6.869 0.607 381 HB3 ARG 44 3HB ARG 44 -6.220 -5.588 -0.275 382 HG2 ARG 44 2HG ARG 44 -6.223 -4.990 2.051 383 HG3 ARG 44 3HG ARG 44 -7.876 -5.409 1.613 384 HD2 ARG 44 2HD ARG 44 -5.932 -7.213 3.107 385 HD3 ARG 44 3HD ARG 44 -7.224 -6.271 3.844 386 HE ARG 44 HE ARG 44 -8.800 -7.662 2.472 387 HH11 ARG 44 1HH1 ARG 44 -5.670 -8.992 3.426 388 HH12 ARG 44 2HH1 ARG 44 -6.209 -10.634 3.326 389 HH21 ARG 44 1HH2 ARG 44 -9.448 -9.816 2.265 390 HH22 ARG 44 2HH2 ARG 44 -8.350 -11.101 2.670 391 H MET 45 H MET 45 -8.011 -6.126 -2.287 392 HA MET 45 HA MET 45 -10.468 -5.079 -1.094 393 HB2 MET 45 2HB MET 45 -8.924 -4.241 -3.562 394 HB3 MET 45 3HB MET 45 -10.442 -3.509 -3.073 395 HG2 MET 45 2HG MET 45 -9.244 -3.052 -0.807 396 HG3 MET 45 3HG MET 45 -7.764 -3.359 -1.716 397 HE1 MET 45 3HE MET 45 -11.116 -1.641 -3.047 398 HE2 MET 45 1HE MET 45 -10.721 0.045 -2.735 399 HE3 MET 45 2HE MET 45 -10.961 -1.064 -1.386 400 H ASP 46 H ASP 46 -9.760 -7.648 -3.146 401 HA ASP 46 HA ASP 46 -11.918 -7.433 -4.983 402 HB2 ASP 46 2HB ASP 46 -9.890 -8.889 -5.349 403 HB3 ASP 46 3HB ASP 46 -10.522 -10.018 -4.154 404 HA PRO 47 HA PRO 47 -14.582 -9.975 -1.774 405 HB2 PRO 47 2HB PRO 47 -13.746 -10.038 0.845 406 HB3 PRO 47 3HB PRO 47 -13.300 -11.290 -0.337 407 HG2 PRO 47 2HG PRO 47 -11.695 -8.902 0.550 408 HG3 PRO 47 3HG PRO 47 -11.184 -10.602 0.402 409 HD2 PRO 47 2HD PRO 47 -10.621 -8.813 -1.525 410 HD3 PRO 47 3HD PRO 47 -11.030 -10.494 -1.929 411 H ILE 48 H ILE 48 -12.822 -7.030 -0.986 412 HA ILE 48 HA ILE 48 -14.713 -5.815 0.777 413 HB ILE 48 HB ILE 48 -12.562 -4.604 -1.004 414 HG12 ILE 48 2HG1 ILE 48 -11.680 -6.098 0.753 415 HG13 ILE 48 3HG1 ILE 48 -11.200 -4.435 1.038 416 HG21 ILE 48 1HG2 ILE 48 -12.694 -2.534 0.334 417 HG22 ILE 48 2HG2 ILE 48 -14.110 -3.172 1.169 418 HG23 ILE 48 3HG2 ILE 48 -14.184 -2.845 -0.561 419 HD11 ILE 48 3HD1 ILE 48 -12.930 -4.264 2.787 420 HD12 ILE 48 1HD1 ILE 48 -11.741 -5.528 3.099 421 HD13 ILE 48 2HD1 ILE 48 -13.344 -5.958 2.508 422 H LYS 49 H LYS 49 -14.357 -5.905 -2.748 423 HA LYS 49 HA LYS 49 -16.274 -4.054 -3.608 424 HB2 LYS 49 2HB LYS 49 -15.793 -6.812 -4.827 425 HB3 LYS 49 3HB LYS 49 -16.450 -5.401 -5.653 426 HG2 LYS 49 2HG LYS 49 -14.279 -4.279 -5.514 427 HG3 LYS 49 3HG LYS 49 -13.619 -5.629 -4.587 428 HD2 LYS 49 2HD LYS 49 -14.019 -7.132 -6.537 429 HD3 LYS 49 3HD LYS 49 -14.624 -5.753 -7.458 430 HE2 LYS 49 2HE LYS 49 -12.430 -4.690 -7.386 431 HE3 LYS 49 3HE LYS 49 -11.810 -5.967 -6.334 432 HZ1 LYS 49 3HZ LYS 49 -12.776 -6.366 -9.121 433 HZ2 LYS 49 1HZ LYS 49 -12.119 -7.559 -8.115 434 HZ3 LYS 49 2HZ LYS 49 -11.154 -6.278 -8.650 435 H LYS 50 H LYS 50 -16.565 -7.453 -2.754 436 HA LYS 50 HA LYS 50 -19.333 -7.799 -3.218 437 HB2 LYS 50 2HB LYS 50 -17.762 -9.651 -3.302 438 HB3 LYS 50 3HB LYS 50 -17.297 -9.399 -1.623 439 HG2 LYS 50 2HG LYS 50 -19.494 -10.124 -0.858 440 HG3 LYS 50 3HG LYS 50 -20.069 -10.223 -2.522 441 HD2 LYS 50 2HD LYS 50 -19.552 -12.446 -1.590 442 HD3 LYS 50 3HD LYS 50 -18.540 -12.071 -2.986 443 HE2 LYS 50 2HE LYS 50 -16.691 -11.444 -1.410 444 HE3 LYS 50 3HE LYS 50 -17.718 -11.949 -0.062 445 HZ1 LYS 50 3HZ LYS 50 -16.798 -13.687 -2.289 446 HZ2 LYS 50 1HZ LYS 50 -17.799 -14.176 -1.018 447 HZ3 LYS 50 2HZ LYS 50 -16.207 -13.708 -0.707 448 H LEU 51 H LEU 51 -17.494 -6.738 -0.392 449 HA LEU 51 HA LEU 51 -19.643 -6.932 1.498 450 HB2 LEU 51 2HB LEU 51 -17.151 -5.175 1.580 451 HB3 LEU 51 3HB LEU 51 -18.229 -5.481 2.936 452 HG LEU 51 HG LEU 51 -16.502 -7.569 1.552 453 HD11 LEU 51 1HD1 LEU 51 -15.201 -7.586 3.622 454 HD12 LEU 51 2HD1 LEU 51 -16.190 -6.275 4.268 455 HD13 LEU 51 3HD1 LEU 51 -15.176 -6.003 2.850 456 HD21 LEU 51 3HD2 LEU 51 -17.172 -9.087 3.368 457 HD22 LEU 51 1HD2 LEU 51 -18.553 -8.591 2.390 458 HD23 LEU 51 2HD2 LEU 51 -18.297 -7.870 3.980 459 H GLY 52 H GLY 52 -18.538 -4.463 -0.782 460 HA2 GLY 52 2HA GLY 52 -19.777 -2.849 -1.844 461 HA3 GLY 52 3HA GLY 52 -21.193 -3.387 -0.956 462 H CYS 53 H CYS 53 -18.359 -1.296 -0.851 463 HA CYS 53 HA CYS 53 -19.705 0.445 1.121 464 HB2 CYS 53 2HB CYS 53 -17.215 0.896 1.926 465 HB3 CYS 53 3HB CYS 53 -18.112 -0.488 2.535 466 H LYS 54 H LYS 54 -19.705 2.536 0.702 467 HA LYS 54 HA LYS 54 -19.021 3.509 -1.904 468 HB2 LYS 54 2HB LYS 54 -20.037 5.038 0.542 469 HB3 LYS 54 3HB LYS 54 -19.967 5.673 -1.098 470 HG2 LYS 54 2HG LYS 54 -21.684 3.342 -0.189 471 HG3 LYS 54 3HG LYS 54 -22.247 4.994 -0.451 472 HD2 LYS 54 2HD LYS 54 -21.637 4.808 -2.858 473 HD3 LYS 54 3HD LYS 54 -21.097 3.147 -2.587 474 HE2 LYS 54 2HE LYS 54 -23.330 3.128 -3.553 475 HE3 LYS 54 3HE LYS 54 -23.419 2.540 -1.895 476 HZ1 LYS 54 3HZ LYS 54 -24.102 5.292 -2.788 477 HZ2 LYS 54 1HZ LYS 54 -24.224 4.709 -1.209 478 HZ3 LYS 54 2HZ LYS 54 -25.215 4.075 -2.423 479 H ARG 55 H ARG 55 -17.688 3.927 1.364 480 HA ARG 55 HA ARG 55 -15.260 5.097 0.130 481 HB2 ARG 55 2HB ARG 55 -16.445 6.872 1.405 482 HB3 ARG 55 3HB ARG 55 -16.396 5.877 2.859 483 HG2 ARG 55 2HG ARG 55 -13.890 5.954 2.796 484 HG3 ARG 55 3HG ARG 55 -13.975 6.997 1.376 485 HD2 ARG 55 2HD ARG 55 -15.067 7.671 4.128 486 HD3 ARG 55 3HD ARG 55 -13.552 8.273 3.459 487 HE ARG 55 HE ARG 55 -15.115 9.217 1.620 488 HH11 ARG 55 1HH1 ARG 55 -15.958 9.010 5.024 489 HH12 ARG 55 2HH1 ARG 55 -17.018 10.385 4.971 490 HH21 ARG 55 1HH2 ARG 55 -16.428 11.063 1.568 491 HH22 ARG 55 2HH2 ARG 55 -17.286 11.561 2.995 492 H VAL 56 H VAL 56 -13.502 4.016 0.538 493 HA VAL 56 HA VAL 56 -13.226 2.277 2.904 494 HB VAL 56 HB VAL 56 -11.575 0.940 1.580 495 HG11 VAL 56 1HG1 VAL 56 -14.323 1.075 0.293 496 HG12 VAL 56 2HG1 VAL 56 -13.888 0.152 1.734 497 HG13 VAL 56 3HG1 VAL 56 -13.190 -0.278 0.172 498 HG21 VAL 56 3HG2 VAL 56 -11.438 1.167 -0.888 499 HG22 VAL 56 1HG2 VAL 56 -10.875 2.628 -0.074 500 HG23 VAL 56 2HG2 VAL 56 -12.473 2.594 -0.817 501 H ARG 57 H ARG 57 -11.473 2.752 4.202 502 HA ARG 57 HA ARG 57 -9.515 4.786 3.286 503 HB2 ARG 57 2HB ARG 57 -10.786 5.296 5.411 504 HB3 ARG 57 3HB ARG 57 -10.053 3.876 6.149 505 HG2 ARG 57 2HG ARG 57 -7.770 5.035 5.485 506 HG3 ARG 57 3HG ARG 57 -8.761 6.487 5.340 507 HD2 ARG 57 2HD ARG 57 -8.405 4.778 7.815 508 HD3 ARG 57 3HD ARG 57 -7.720 6.380 7.536 509 HE ARG 57 HE ARG 57 -10.454 6.686 7.295 510 HH11 ARG 57 1HH1 ARG 57 -8.255 5.627 9.849 511 HH12 ARG 57 2HH1 ARG 57 -9.289 6.172 11.131 512 HH21 ARG 57 1HH2 ARG 57 -11.803 7.378 8.991 513 HH22 ARG 57 2HH2 ARG 57 -11.305 7.169 10.642 514 H ILE 58 H ILE 58 -7.844 3.720 2.399 515 HA ILE 58 HA ILE 58 -6.816 1.197 3.508 516 HB ILE 58 HB ILE 58 -5.928 2.644 0.960 517 HG12 ILE 58 2HG1 ILE 58 -7.947 0.360 1.126 518 HG13 ILE 58 3HG1 ILE 58 -8.389 2.047 0.893 519 HG21 ILE 58 1HG2 ILE 58 -5.555 -0.249 1.830 520 HG22 ILE 58 2HG2 ILE 58 -4.304 0.995 1.833 521 HG23 ILE 58 3HG2 ILE 58 -5.000 0.448 0.306 522 HD11 ILE 58 3HD1 ILE 58 -7.137 2.074 -1.215 523 HD12 ILE 58 1HD1 ILE 58 -8.426 0.876 -1.197 524 HD13 ILE 58 2HD1 ILE 58 -6.751 0.362 -0.999 525 H SER 59 H SER 59 -5.461 1.657 5.174 526 HA SER 59 HA SER 59 -3.565 3.910 5.025 527 HB2 SER 59 2HB SER 59 -5.169 3.846 6.966 528 HB3 SER 59 3HB SER 59 -4.501 2.285 7.446 529 HG SER 59 HG SER 59 -3.358 4.849 7.568 530 H ILE 60 H ILE 60 -1.779 3.137 4.038 531 HA ILE 60 HA ILE 60 -0.783 0.411 4.587 532 HB ILE 60 HB ILE 60 -0.189 2.375 2.330 533 HG12 ILE 60 2HG1 ILE 60 -1.600 -0.330 2.346 534 HG13 ILE 60 3HG1 ILE 60 -2.370 1.241 2.149 535 HG21 ILE 60 1HG2 ILE 60 1.052 -0.367 2.747 536 HG22 ILE 60 2HG2 ILE 60 1.892 1.180 2.852 537 HG23 ILE 60 3HG2 ILE 60 1.243 0.633 1.306 538 HD11 ILE 60 3HD1 ILE 60 -1.149 1.541 0.032 539 HD12 ILE 60 1HD1 ILE 60 -2.210 0.137 0.037 540 HD13 ILE 60 2HD1 ILE 60 -0.470 -0.079 0.216 541 H ARG 61 H ARG 61 0.844 0.228 6.007 542 HA ARG 61 HA ARG 61 2.651 2.515 6.528 543 HB2 ARG 61 2HB ARG 61 2.361 -0.074 8.111 544 HB3 ARG 61 3HB ARG 61 3.281 1.356 8.580 545 HG2 ARG 61 2HG ARG 61 1.072 2.634 8.584 546 HG3 ARG 61 3HG ARG 61 0.264 1.074 8.400 547 HD2 ARG 61 2HD ARG 61 0.321 1.790 10.755 548 HD3 ARG 61 3HD ARG 61 1.255 0.306 10.520 549 HE ARG 61 HE ARG 61 2.802 2.755 10.354 550 HH11 ARG 61 1HH1 ARG 61 1.643 0.278 12.564 551 HH12 ARG 61 2HH1 ARG 61 2.890 0.575 13.729 552 HH21 ARG 61 1HH2 ARG 61 4.460 3.076 11.851 553 HH22 ARG 61 2HH2 ARG 61 4.485 2.158 13.328 554 H VAL 62 H VAL 62 4.744 2.428 5.910 555 HA VAL 62 HA VAL 62 5.828 -0.024 4.695 556 HB VAL 62 HB VAL 62 5.999 2.209 3.454 557 HG11 VAL 62 1HG1 VAL 62 7.710 3.843 4.085 558 HG12 VAL 62 2HG1 VAL 62 8.062 2.917 5.549 559 HG13 VAL 62 3HG1 VAL 62 6.489 3.693 5.357 560 HG21 VAL 62 3HG2 VAL 62 7.467 0.348 2.862 561 HG22 VAL 62 1HG2 VAL 62 8.638 0.855 4.077 562 HG23 VAL 62 2HG2 VAL 62 8.317 1.884 2.676 563 H LYS 63 H LYS 63 6.998 -1.339 6.039 564 HA LYS 63 HA LYS 63 7.832 -0.352 8.675 565 HB2 LYS 63 2HB LYS 63 6.541 -2.405 8.622 566 HB3 LYS 63 3HB LYS 63 7.654 -3.131 7.485 567 HG2 LYS 63 2HG LYS 63 8.062 -4.116 9.624 568 HG3 LYS 63 3HG LYS 63 9.431 -3.064 9.256 569 HD2 LYS 63 2HD LYS 63 8.595 -1.352 10.771 570 HD3 LYS 63 3HD LYS 63 7.099 -2.255 11.035 571 HE2 LYS 63 2HE LYS 63 9.880 -3.182 11.837 572 HE3 LYS 63 3HE LYS 63 8.669 -2.501 12.923 573 HZ1 LYS 63 3HZ LYS 63 8.693 -4.903 13.045 574 HZ2 LYS 63 1HZ LYS 63 8.392 -5.034 11.388 575 HZ3 LYS 63 2HZ LYS 63 7.217 -4.375 12.411 576 H HIS 64 H HIS 64 9.753 0.533 8.724 577 HA HIS 64 HA HIS 64 12.012 -0.552 7.167 578 HB2 HIS 64 2HB HIS 64 13.011 1.758 7.531 579 HB3 HIS 64 3HB HIS 64 11.578 1.723 6.508 580 HD1 HIS 64 HD1 HIS 64 12.767 2.876 9.887 581 HD2 HIS 64 HD2 HIS 64 9.362 3.144 7.512 582 HE1 HIS 64 HE1 HIS 64 11.304 4.589 10.987 583 HE2 HIS 64 HE2 HIS 64 9.330 4.832 9.457 584 H SER 65 H SER 65 13.150 -1.876 8.427 585 HA SER 65 HA SER 65 13.241 -1.780 11.285 586 HB2 SER 65 2HB SER 65 13.531 -3.894 9.984 587 HB3 SER 65 3HB SER 65 15.073 -3.295 9.369 588 HG SER 65 HG SER 65 15.935 -3.427 11.384 589 H ASP 66 H ASP 66 15.213 -0.498 8.714 590 HA ASP 66 HA ASP 66 17.370 0.448 10.429 591 HB2 ASP 66 2HB ASP 66 17.987 -0.324 8.212 592 HB3 ASP 66 3HB ASP 66 16.779 0.700 7.445 593 H ALA 67 H ALA 67 17.917 2.728 10.590 594 HA ALA 67 HA ALA 67 15.573 4.550 10.578 595 HB1 ALA 67 3HB ALA 67 16.511 5.586 12.596 596 HB2 ALA 67 1HB ALA 67 17.887 4.477 12.547 597 HB3 ALA 67 2HB ALA 67 16.260 3.858 12.837 598 H ALA 68 H ALA 68 18.591 4.058 9.137 599 HA ALA 68 HA ALA 68 19.466 6.842 9.045 600 HB1 ALA 68 3HB ALA 68 20.634 4.366 7.734 601 HB2 ALA 68 1HB ALA 68 21.123 5.040 9.288 602 HB3 ALA 68 2HB ALA 68 21.401 5.958 7.806 603 H GLU 69 H GLU 69 18.948 4.402 6.494 604 HA GLU 69 HA GLU 69 18.778 6.355 4.402 605 HB2 GLU 69 2HB GLU 69 18.507 3.330 4.481 606 HB3 GLU 69 3HB GLU 69 18.306 4.236 2.986 607 HG2 GLU 69 2HG GLU 69 20.819 4.417 4.667 608 HG3 GLU 69 3HG GLU 69 20.595 3.191 3.425 609 H GLU 70 H GLU 70 16.428 4.992 6.489 610 HA GLU 70 HA GLU 70 14.321 4.443 4.735 611 HB2 GLU 70 2HB GLU 70 12.847 4.566 6.770 612 HB3 GLU 70 3HB GLU 70 14.248 3.519 6.912 613 HG2 GLU 70 2HG GLU 70 14.039 4.596 8.989 614 HG3 GLU 70 3HG GLU 70 15.396 5.367 8.181 615 H LYS 71 H LYS 71 15.296 7.547 6.011 616 HA LYS 71 HA LYS 71 13.000 9.045 5.321 617 HB2 LYS 71 2HB LYS 71 14.559 11.010 5.447 618 HB3 LYS 71 3HB LYS 71 14.611 9.950 6.850 619 HG2 LYS 71 2HG LYS 71 16.697 8.886 5.882 620 HG3 LYS 71 3HG LYS 71 16.692 10.153 4.647 621 HD2 LYS 71 2HD LYS 71 16.856 11.882 6.415 622 HD3 LYS 71 3HD LYS 71 16.821 10.629 7.656 623 HE2 LYS 71 2HE LYS 71 19.106 11.361 7.353 624 HE3 LYS 71 3HE LYS 71 18.962 9.720 6.724 625 HZ1 LYS 71 3HZ LYS 71 18.874 12.171 5.052 626 HZ2 LYS 71 1HZ LYS 71 18.904 10.573 4.504 627 HZ3 LYS 71 2HZ LYS 71 20.250 11.219 5.289 628 H LYS 72 H LYS 72 15.891 8.153 3.484 629 HA LYS 72 HA LYS 72 15.214 9.452 1.027 630 HB2 LYS 72 2HB LYS 72 17.521 8.724 1.621 631 HB3 LYS 72 3HB LYS 72 17.001 7.042 1.592 632 HG2 LYS 72 2HG LYS 72 16.477 7.314 -0.866 633 HG3 LYS 72 3HG LYS 72 17.174 8.936 -0.783 634 HD2 LYS 72 2HD LYS 72 18.629 6.327 -0.199 635 HD3 LYS 72 3HD LYS 72 18.825 7.318 -1.644 636 HE2 LYS 72 2HE LYS 72 19.817 9.114 -0.337 637 HE3 LYS 72 3HE LYS 72 19.482 8.258 1.171 638 HZ1 LYS 72 3HZ LYS 72 21.051 6.598 0.622 639 HZ2 LYS 72 1HZ LYS 72 21.802 8.088 0.351 640 HZ3 LYS 72 2HZ LYS 72 21.245 7.172 -0.956 641 H GLU 73 H GLU 73 14.779 6.207 2.386 642 HA GLU 73 HA GLU 73 13.679 4.988 0.080 643 HB2 GLU 73 2HB GLU 73 13.379 4.047 2.967 644 HB3 GLU 73 3HB GLU 73 13.168 3.078 1.515 645 HG2 GLU 73 2HG GLU 73 15.755 4.219 2.590 646 HG3 GLU 73 3HG GLU 73 15.283 2.526 2.521 647 H ALA 74 H ALA 74 12.257 6.994 2.506 648 HA ALA 74 HA ALA 74 9.538 6.209 2.252 649 HB1 ALA 74 3HB ALA 74 10.722 8.922 2.930 650 HB2 ALA 74 1HB ALA 74 10.368 7.628 4.077 651 HB3 ALA 74 2HB ALA 74 9.051 8.420 3.211 652 H LYS 75 H LYS 75 11.344 8.907 0.786 653 HA LYS 75 HA LYS 75 9.423 9.752 -1.097 654 HB2 LYS 75 2HB LYS 75 12.463 9.985 -1.165 655 HB3 LYS 75 3HB LYS 75 11.352 10.940 -2.145 656 HG2 LYS 75 2HG LYS 75 10.524 12.130 -0.235 657 HG3 LYS 75 3HG LYS 75 11.278 10.995 0.890 658 HD2 LYS 75 2HD LYS 75 12.535 13.120 0.800 659 HD3 LYS 75 3HD LYS 75 13.516 11.776 0.223 660 HE2 LYS 75 2HE LYS 75 12.969 12.486 -2.135 661 HE3 LYS 75 3HE LYS 75 12.149 13.900 -1.467 662 HZ1 LYS 75 3HZ LYS 75 15.025 13.239 -1.057 663 HZ2 LYS 75 1HZ LYS 75 14.225 14.610 -0.475 664 HZ3 LYS 75 2HZ LYS 75 14.430 14.395 -2.136 665 H LYS 76 H LYS 76 12.077 7.478 -1.293 666 HA LYS 76 HA LYS 76 12.114 6.933 -4.064 667 HB2 LYS 76 2HB LYS 76 14.027 6.594 -2.625 668 HB3 LYS 76 3HB LYS 76 13.140 5.478 -1.601 669 HG2 LYS 76 2HG LYS 76 13.206 3.756 -3.288 670 HG3 LYS 76 3HG LYS 76 13.860 4.885 -4.485 671 HD2 LYS 76 2HD LYS 76 15.954 5.086 -3.285 672 HD3 LYS 76 3HD LYS 76 15.302 4.231 -1.884 673 HE2 LYS 76 2HE LYS 76 15.678 2.948 -4.604 674 HE3 LYS 76 3HE LYS 76 16.868 2.872 -3.300 675 HZ1 LYS 76 3HZ LYS 76 14.073 1.932 -3.051 676 HZ2 LYS 76 1HZ LYS 76 15.310 1.746 -1.917 677 HZ3 LYS 76 2HZ LYS 76 15.390 0.935 -3.400 678 H PHE 77 H PHE 77 10.577 5.286 -1.324 679 HA PHE 77 HA PHE 77 9.279 3.258 -2.921 680 HB2 PHE 77 2HB PHE 77 9.982 2.967 -0.484 681 HB3 PHE 77 3HB PHE 77 8.652 4.023 -0.029 682 HD1 PHE 77 HD1 PHE 77 9.382 0.864 -1.909 683 HD2 PHE 77 HD2 PHE 77 6.531 3.036 0.438 684 HE1 PHE 77 HE1 PHE 77 7.894 -1.092 -1.875 685 HE2 PHE 77 HE2 PHE 77 5.057 1.065 0.468 686 HZ PHE 77 HZ PHE 77 5.734 -1.000 -0.692 687 H ALA 78 H ALA 78 8.553 6.474 -1.894 688 HA ALA 78 HA ALA 78 5.730 6.485 -2.129 689 HB1 ALA 78 3HB ALA 78 6.956 8.327 -1.088 690 HB2 ALA 78 1HB ALA 78 5.913 8.916 -2.381 691 HB3 ALA 78 2HB ALA 78 7.653 8.770 -2.649 692 H ALA 79 H ALA 79 8.315 7.063 -4.520 693 HA ALA 79 HA ALA 79 6.709 7.617 -6.771 694 HB1 ALA 79 3HB ALA 79 9.122 8.066 -6.700 695 HB2 ALA 79 1HB ALA 79 8.719 7.059 -8.090 696 HB3 ALA 79 2HB ALA 79 9.459 6.334 -6.658 697 H ILE 80 H ILE 80 7.815 4.586 -5.360 698 HA ILE 80 HA ILE 80 6.881 2.762 -7.304 699 HB ILE 80 HB ILE 80 7.310 2.414 -4.303 700 HG12 ILE 80 2HG1 ILE 80 9.365 3.100 -5.445 701 HG13 ILE 80 3HG1 ILE 80 9.506 1.414 -4.965 702 HG21 ILE 80 1HG2 ILE 80 7.486 -0.012 -4.705 703 HG22 ILE 80 2HG2 ILE 80 7.025 0.235 -6.388 704 HG23 ILE 80 3HG2 ILE 80 5.878 0.601 -5.104 705 HD11 ILE 80 3HD1 ILE 80 9.016 0.735 -7.289 706 HD12 ILE 80 1HD1 ILE 80 10.447 1.755 -7.153 707 HD13 ILE 80 2HD1 ILE 80 8.938 2.438 -7.751 708 H LEU 81 H LEU 81 5.366 4.119 -4.363 709 HA LEU 81 HA LEU 81 2.960 2.630 -4.447 710 HB2 LEU 81 2HB LEU 81 3.768 5.200 -3.059 711 HB3 LEU 81 3HB LEU 81 2.118 4.610 -2.946 712 HG LEU 81 HG LEU 81 4.567 3.047 -2.017 713 HD11 LEU 81 1HD1 LEU 81 3.841 3.566 0.253 714 HD12 LEU 81 2HD1 LEU 81 2.517 4.556 -0.371 715 HD13 LEU 81 3HD1 LEU 81 4.192 5.043 -0.643 716 HD21 LEU 81 3HD2 LEU 81 1.605 2.472 -1.629 717 HD22 LEU 81 1HD2 LEU 81 2.944 1.555 -0.931 718 HD23 LEU 81 2HD2 LEU 81 2.710 1.577 -2.677 719 H ASN 82 H ASN 82 3.779 5.893 -5.654 720 HA ASN 82 HA ASN 82 1.135 6.691 -6.316 721 HB2 ASN 82 2HB ASN 82 3.839 7.773 -7.217 722 HB3 ASN 82 3HB ASN 82 2.330 8.452 -7.824 723 HD21 ASN 82 1HD2 ASN 82 4.568 8.516 -5.272 724 HD22 ASN 82 2HD2 ASN 82 3.679 9.549 -4.212 725 H LYS 83 H LYS 83 3.609 4.993 -8.187 726 HA LYS 83 HA LYS 83 2.184 5.045 -10.672 727 HB2 LYS 83 2HB LYS 83 4.451 3.276 -9.692 728 HB3 LYS 83 3HB LYS 83 3.793 3.182 -11.319 729 HG2 LYS 83 2HG LYS 83 5.184 5.586 -10.089 730 HG3 LYS 83 3HG LYS 83 5.868 4.485 -11.280 731 HD2 LYS 83 2HD LYS 83 3.546 6.405 -11.715 732 HD3 LYS 83 3HD LYS 83 5.185 6.578 -12.340 733 HE2 LYS 83 2HE LYS 83 3.218 4.392 -13.111 734 HE3 LYS 83 3HE LYS 83 3.648 5.792 -14.088 735 HZ1 LYS 83 3HZ LYS 83 5.454 3.572 -13.300 736 HZ2 LYS 83 1HZ LYS 83 5.944 4.952 -14.146 737 HZ3 LYS 83 2HZ LYS 83 4.844 3.878 -14.842 738 H VAL 84 H VAL 84 2.247 2.791 -7.930 739 HA VAL 84 HA VAL 84 0.839 0.620 -9.147 740 HB VAL 84 HB VAL 84 1.360 1.412 -6.240 741 HG11 VAL 84 1HG1 VAL 84 0.530 -0.824 -5.541 742 HG12 VAL 84 2HG1 VAL 84 -0.053 -1.109 -7.181 743 HG13 VAL 84 3HG1 VAL 84 -0.756 0.183 -6.209 744 HG21 VAL 84 3HG2 VAL 84 2.467 -0.847 -7.948 745 HG22 VAL 84 1HG2 VAL 84 2.906 -0.519 -6.269 746 HG23 VAL 84 2HG2 VAL 84 3.313 0.643 -7.532 747 H PHE 85 H PHE 85 -0.156 3.155 -6.866 748 HA PHE 85 HA PHE 85 -2.901 2.737 -6.788 749 HB2 PHE 85 2HB PHE 85 -1.284 5.293 -6.423 750 HB3 PHE 85 3HB PHE 85 -3.014 5.218 -6.118 751 HD1 PHE 85 HD1 PHE 85 -3.497 2.778 -4.673 752 HD2 PHE 85 HD2 PHE 85 -0.127 5.400 -4.370 753 HE1 PHE 85 HE1 PHE 85 -3.093 2.010 -2.369 754 HE2 PHE 85 HE2 PHE 85 0.272 4.619 -2.076 755 HZ PHE 85 HZ PHE 85 -1.208 2.931 -1.075 756 H ALA 86 H ALA 86 -0.991 4.712 -9.033 757 HA ALA 86 HA ALA 86 -3.042 5.944 -10.496 758 HB1 ALA 86 3HB ALA 86 -1.337 6.339 -12.217 759 HB2 ALA 86 1HB ALA 86 -0.278 5.136 -11.461 760 HB3 ALA 86 2HB ALA 86 -0.680 6.624 -10.607 761 H GLU 87 H GLU 87 -1.691 2.701 -10.759 762 HA GLU 87 HA GLU 87 -2.890 2.185 -13.371 763 HB2 GLU 87 2HB GLU 87 -1.121 0.501 -11.557 764 HB3 GLU 87 3HB GLU 87 -1.782 -0.089 -13.080 765 HG2 GLU 87 2HG GLU 87 -0.627 1.842 -14.241 766 HG3 GLU 87 3HG GLU 87 0.150 2.217 -12.703 767 H LEU 88 H LEU 88 -3.954 1.958 -10.146 768 HA LEU 88 HA LEU 88 -5.625 -0.442 -10.688 769 HB2 LEU 88 2HB LEU 88 -4.688 0.663 -8.019 770 HB3 LEU 88 3HB LEU 88 -5.787 -0.695 -8.211 771 HG LEU 88 HG LEU 88 -2.855 -0.610 -9.030 772 HD11 LEU 88 1HD1 LEU 88 -3.208 -0.887 -6.632 773 HD12 LEU 88 2HD1 LEU 88 -2.568 -2.358 -7.351 774 HD13 LEU 88 3HD1 LEU 88 -4.276 -2.264 -6.923 775 HD21 LEU 88 3HD2 LEU 88 -4.087 -1.901 -10.710 776 HD22 LEU 88 1HD2 LEU 88 -4.827 -2.886 -9.444 777 HD23 LEU 88 2HD2 LEU 88 -3.085 -2.960 -9.722 778 H GLY 89 H GLY 89 -5.827 2.934 -10.319 779 HA2 GLY 89 2HA GLY 89 -7.991 3.808 -11.117 780 HA3 GLY 89 3HA GLY 89 -8.788 2.724 -9.990 781 H TYR 90 H TYR 90 -5.972 4.168 -8.724 782 HA TYR 90 HA TYR 90 -7.510 6.261 -7.287 783 HB2 TYR 90 2HB TYR 90 -4.755 5.215 -6.495 784 HB3 TYR 90 3HB TYR 90 -5.895 6.105 -5.502 785 HD1 TYR 90 HD1 TYR 90 -5.044 2.793 -6.898 786 HD2 TYR 90 HD2 TYR 90 -7.721 4.923 -4.327 787 HE1 TYR 90 HE1 TYR 90 -5.824 0.667 -5.960 788 HE2 TYR 90 HE2 TYR 90 -8.502 2.786 -3.394 789 HH TYR 90 HH TYR 90 -8.588 0.443 -3.985 790 H ASN 91 H ASN 91 -6.661 8.388 -7.283 791 HA ASN 91 HA ASN 91 -4.651 9.071 -9.291 792 HB2 ASN 91 2HB ASN 91 -6.214 10.817 -7.332 793 HB3 ASN 91 3HB ASN 91 -5.120 11.440 -8.561 794 HD21 ASN 91 1HD2 ASN 91 -5.925 9.574 -10.644 795 HD22 ASN 91 2HD2 ASN 91 -7.518 10.033 -11.124 796 H ASP 92 H ASP 92 -2.826 10.556 -8.647 797 HA ASP 92 HA ASP 92 -1.470 9.642 -6.213 798 HB2 ASP 92 2HB ASP 92 0.513 10.732 -7.126 799 HB3 ASP 92 3HB ASP 92 -0.217 9.703 -8.349 800 H SER 93 H SER 93 -3.812 11.231 -5.968 801 HA SER 93 HA SER 93 -2.863 13.704 -4.632 802 HB2 SER 93 2HB SER 93 -5.225 14.478 -4.842 803 HB3 SER 93 3HB SER 93 -4.542 14.115 -6.428 804 HG SER 93 HG SER 93 -6.734 13.110 -5.325 805 H ASN 94 H ASN 94 -4.523 10.646 -4.438 806 HA ASN 94 HA ASN 94 -5.533 10.899 -1.755 807 HB2 ASN 94 2HB ASN 94 -5.087 8.359 -3.385 808 HB3 ASN 94 3HB ASN 94 -6.151 8.545 -1.993 809 HD21 ASN 94 1HD2 ASN 94 -8.102 9.787 -2.254 810 HD22 ASN 94 2HD2 ASN 94 -8.777 10.022 -3.831 811 H VAL 95 H VAL 95 -2.425 10.519 -2.966 812 HA VAL 95 HA VAL 95 -1.459 8.592 -0.987 813 HB VAL 95 HB VAL 95 0.112 10.044 -3.180 814 HG11 VAL 95 1HG1 VAL 95 1.763 8.233 -2.924 815 HG12 VAL 95 2HG1 VAL 95 0.782 7.493 -1.657 816 HG13 VAL 95 3HG1 VAL 95 1.528 9.070 -1.386 817 HG21 VAL 95 3HG2 VAL 95 -1.727 8.761 -4.201 818 HG22 VAL 95 1HG2 VAL 95 -1.225 7.314 -3.321 819 HG23 VAL 95 2HG2 VAL 95 -0.173 8.003 -4.561 820 H THR 96 H THR 96 -1.407 9.593 0.990 821 HA THR 96 HA THR 96 0.068 12.148 1.292 822 HB THR 96 HB THR 96 -2.405 11.282 2.865 823 HG1 THR 96 HG1 THR 96 -3.020 11.977 0.836 824 HG21 THR 96 3HG2 THR 96 -0.880 12.649 4.262 825 HG22 THR 96 1HG2 THR 96 -2.340 13.561 3.853 826 HG23 THR 96 2HG2 THR 96 -0.826 13.889 3.010 827 H TRP 97 H TRP 97 1.943 11.507 2.152 828 HA TRP 97 HA TRP 97 2.228 9.323 4.010 829 HB2 TRP 97 2HB TRP 97 4.184 11.399 2.945 830 HB3 TRP 97 3HB TRP 97 4.637 10.214 4.166 831 HD1 TRP 97 HD1 TRP 97 3.342 10.260 0.482 832 HE1 TRP 97 HE1 TRP 97 4.282 8.169 -0.687 833 HE3 TRP 97 HE3 TRP 97 5.614 8.021 4.491 834 HZ2 TRP 97 HZ2 TRP 97 5.787 5.877 -0.006 835 HZ3 TRP 97 HZ3 TRP 97 6.779 5.880 4.150 836 HH2 TRP 97 HH2 TRP 97 6.864 4.827 1.943 837 H ASP 98 H ASP 98 1.529 9.569 5.981 838 HA ASP 98 HA ASP 98 2.150 11.967 7.603 839 HB2 ASP 98 2HB ASP 98 -0.284 11.307 7.523 840 HB3 ASP 98 3HB ASP 98 0.136 9.701 8.098 841 H GLY 99 H GLY 99 4.255 11.457 8.138 842 HA2 GLY 99 2HA GLY 99 6.062 10.390 9.041 843 HA3 GLY 99 3HA GLY 99 4.933 9.374 9.929 844 H ASP 100 H ASP 100 5.222 7.267 9.511 845 HA ASP 100 HA ASP 100 6.518 6.333 7.039 846 HB2 ASP 100 2HB ASP 100 6.647 4.131 8.237 847 HB3 ASP 100 3HB ASP 100 7.383 5.437 9.156 848 H THR 101 H THR 101 3.415 7.077 7.728 849 HA THR 101 HA THR 101 2.198 4.631 6.566 850 HB THR 101 HB THR 101 1.031 6.548 8.645 851 HG1 THR 101 HG1 THR 101 2.775 4.773 9.127 852 HG21 THR 101 3HG2 THR 101 -0.808 4.892 8.833 853 HG22 THR 101 1HG2 THR 101 -0.112 3.967 7.506 854 HG23 THR 101 2HG2 THR 101 -0.742 5.592 7.211 855 H VAL 102 H VAL 102 1.373 5.066 4.582 856 HA VAL 102 HA VAL 102 0.501 7.779 3.856 857 HB VAL 102 HB VAL 102 1.938 6.673 2.205 858 HG11 VAL 102 1HG1 VAL 102 1.505 4.316 2.695 859 HG12 VAL 102 2HG1 VAL 102 1.278 4.640 0.975 860 HG13 VAL 102 3HG1 VAL 102 -0.125 4.456 2.031 861 HG21 VAL 102 3HG2 VAL 102 -0.920 6.840 1.198 862 HG22 VAL 102 1HG2 VAL 102 0.531 6.897 0.190 863 HG23 VAL 102 2HG2 VAL 102 0.209 8.188 1.351 864 H THR 103 H THR 103 -1.634 8.312 3.860 865 HA THR 103 HA THR 103 -3.688 6.234 4.310 866 HB THR 103 HB THR 103 -3.856 9.244 4.839 867 HG1 THR 103 HG1 THR 103 -2.392 8.125 6.255 868 HG21 THR 103 3HG2 THR 103 -5.896 8.685 6.121 869 HG22 THR 103 1HG2 THR 103 -5.727 6.991 5.677 870 HG23 THR 103 2HG2 THR 103 -6.077 8.197 4.431 871 H VAL 104 H VAL 104 -4.645 5.670 2.477 872 HA VAL 104 HA VAL 104 -5.276 7.613 0.330 873 HB VAL 104 HB VAL 104 -4.776 4.584 0.190 874 HG11 VAL 104 1HG1 VAL 104 -5.496 6.473 -2.075 875 HG12 VAL 104 2HG1 VAL 104 -6.524 5.196 -1.424 876 HG13 VAL 104 3HG1 VAL 104 -5.027 4.781 -2.263 877 HG21 VAL 104 3HG2 VAL 104 -2.811 5.182 -1.194 878 HG22 VAL 104 1HG2 VAL 104 -2.690 5.861 0.431 879 HG23 VAL 104 2HG2 VAL 104 -3.141 6.894 -0.929 880 H GLU 105 H GLU 105 -7.390 8.138 0.465 881 HA GLU 105 HA GLU 105 -9.385 6.067 1.212 882 HB2 GLU 105 2HB GLU 105 -10.772 7.765 2.269 883 HB3 GLU 105 3HB GLU 105 -9.184 7.762 3.015 884 HG2 GLU 105 2HG GLU 105 -10.231 9.815 1.037 885 HG3 GLU 105 3HG GLU 105 -10.046 10.037 2.774 886 H GLY 106 H GLY 106 -11.315 6.081 0.093 887 HA2 GLY 106 2HA GLY 106 -12.304 7.660 -1.892 888 HA3 GLY 106 3HA GLY 106 -10.988 6.791 -2.685 889 H GLN 107 H GLN 107 -12.371 5.597 -4.036 890 HA GLN 107 HA GLN 107 -13.616 3.285 -2.715 891 HB2 GLN 107 2HB GLN 107 -15.681 3.414 -3.935 892 HB3 GLN 107 3HB GLN 107 -15.449 4.973 -3.166 893 HG2 GLN 107 2HG GLN 107 -14.935 4.370 -6.092 894 HG3 GLN 107 3HG GLN 107 -16.381 5.136 -5.448 895 HE21 GLN 107 1HE2 GLN 107 -14.480 6.144 -7.411 896 HE22 GLN 107 2HE2 GLN 107 -13.896 7.645 -6.789 897 H LEU 108 H LEU 108 -14.079 1.562 -4.263 898 HA LEU 108 HA LEU 108 -12.169 1.450 -6.497 899 HB2 LEU 108 2HB LEU 108 -12.374 -0.997 -6.431 900 HB3 LEU 108 3HB LEU 108 -11.828 -0.357 -4.906 901 HG LEU 108 HG LEU 108 -13.247 -2.283 -4.508 902 HD11 LEU 108 1HD1 LEU 108 -14.871 -1.495 -2.927 903 HD12 LEU 108 2HD1 LEU 108 -14.865 0.113 -3.648 904 HD13 LEU 108 3HD1 LEU 108 -13.421 -0.490 -2.836 905 HD21 LEU 108 3HD2 LEU 108 -14.577 -2.324 -6.558 906 HD22 LEU 108 1HD2 LEU 108 -15.525 -0.947 -5.995 907 HD23 LEU 108 2HD2 LEU 108 -15.597 -2.485 -5.130 908 H GLU 109 H GLU 109 -12.896 0.521 -8.534 909 HA GLU 109 HA GLU 109 -15.753 0.929 -9.084 910 HB2 GLU 109 2HB GLU 109 -14.219 2.016 -10.659 911 HB3 GLU 109 3HB GLU 109 -13.453 0.472 -11.031 912 HG2 GLU 109 2HG GLU 109 -15.538 -0.374 -12.004 913 HG3 GLU 109 3HG GLU 109 -16.389 1.095 -11.528 914 H GLY 110 H GLY 110 -16.980 -0.782 -8.744 915 HA2 GLY 110 2HA GLY 110 -16.247 -3.402 -9.891 916 HA3 GLY 110 3HA GLY 110 -16.740 -3.317 -8.199 917 H VAL 111 H VAL 111 -17.803 -3.416 -11.445 918 HA VAL 111 HA VAL 111 -20.475 -2.461 -11.038 919 HB VAL 111 HB VAL 111 -21.016 -3.501 -13.222 920 HG11 VAL 111 1HG1 VAL 111 -20.030 -1.257 -13.179 921 HG12 VAL 111 2HG1 VAL 111 -19.510 -2.141 -14.613 922 HG13 VAL 111 3HG1 VAL 111 -18.403 -1.948 -13.249 923 HG21 VAL 111 3HG2 VAL 111 -19.292 -4.622 -14.578 924 HG22 VAL 111 1HG2 VAL 111 -19.624 -5.533 -13.102 925 HG23 VAL 111 2HG2 VAL 111 -18.160 -4.554 -13.224 926 H ASP 112 H ASP 112 -18.872 -5.539 -10.710 927 HA ASP 112 HA ASP 112 -21.359 -6.884 -9.836 928 HB2 ASP 112 2HB ASP 112 -19.799 -7.920 -11.622 929 HB3 ASP 112 3HB ASP 112 -18.635 -8.179 -10.332 930 H LEU 113 H LEU 113 -21.604 -6.244 -7.742 931 HA LEU 113 HA LEU 113 -19.432 -6.691 -5.782 932 HB2 LEU 113 2HB LEU 113 -22.239 -5.623 -5.230 933 HB3 LEU 113 3HB LEU 113 -20.856 -5.591 -4.150 934 HG LEU 113 HG LEU 113 -21.275 -3.893 -6.643 935 HD11 LEU 113 1HD1 LEU 113 -21.174 -1.995 -5.096 936 HD12 LEU 113 2HD1 LEU 113 -20.990 -3.095 -3.726 937 HD13 LEU 113 3HD1 LEU 113 -22.482 -3.099 -4.672 938 HD21 LEU 113 3HD2 LEU 113 -19.108 -2.842 -6.221 939 HD22 LEU 113 1HD2 LEU 113 -18.917 -4.558 -6.572 940 HD23 LEU 113 2HD2 LEU 113 -18.783 -3.979 -4.910 941 H GLU 114 H GLU 114 -22.934 -7.299 -5.850 942 HA GLU 114 HA GLU 114 -22.628 -10.180 -6.031 943 HB2 GLU 114 2HB GLU 114 -23.813 -8.820 -3.576 944 HB3 GLU 114 3HB GLU 114 -24.543 -10.318 -4.138 945 HG2 GLU 114 2HG GLU 114 -22.351 -11.470 -3.890 946 HG3 GLU 114 3HG GLU 114 -21.658 -9.971 -3.261 947 H HIS 115 H HIS 115 -24.174 -10.922 -7.410 948 HA HIS 115 HA HIS 115 -26.437 -9.310 -8.238 949 HB2 HIS 115 2HB HIS 115 -25.784 -12.251 -8.769 950 HB3 HIS 115 3HB HIS 115 -27.119 -11.381 -9.511 951 HD1 HIS 115 HD1 HIS 115 -26.630 -10.055 -11.585 952 HD2 HIS 115 HD2 HIS 115 -23.174 -11.337 -9.667 953 HE1 HIS 115 HE1 HIS 115 -24.757 -9.585 -13.177 954 HE2 HIS 115 HE2 HIS 115 -22.674 -10.280 -11.958 955 H HIS 116 H HIS 116 -28.709 -10.182 -7.993 956 HA HIS 116 HA HIS 116 -29.214 -11.123 -5.258 957 HB2 HIS 116 2HB HIS 116 -30.450 -9.162 -6.359 958 HB3 HIS 116 3HB HIS 116 -31.266 -10.346 -7.372 959 HD1 HIS 116 HD1 HIS 116 -33.384 -11.273 -6.439 960 HD2 HIS 116 HD2 HIS 116 -31.010 -9.580 -3.489 961 HE1 HIS 116 HE1 HIS 116 -34.751 -11.382 -4.342 962 HE2 HIS 116 HE2 HIS 116 -33.350 -10.201 -2.613 963 H HIS 117 H HIS 117 -27.990 -12.949 -7.072 964 HA HIS 117 HA HIS 117 -29.798 -14.883 -8.107 965 HB2 HIS 117 2HB HIS 117 -27.597 -14.671 -9.115 966 HB3 HIS 117 3HB HIS 117 -26.779 -14.934 -7.578 967 HD1 HIS 117 HD1 HIS 117 -28.810 -16.817 -10.186 968 HD2 HIS 117 HD2 HIS 117 -26.224 -17.586 -7.033 969 HE1 HIS 117 HE1 HIS 117 -28.348 -19.282 -10.275 970 HE2 HIS 117 HE2 HIS 117 -26.692 -19.695 -8.434 971 H HIS 118 H HIS 118 -28.377 -14.320 -4.951 972 HA HIS 118 HA HIS 118 -28.431 -16.934 -3.932 973 HB2 HIS 118 2HB HIS 118 -27.219 -15.098 -2.785 974 HB3 HIS 118 3HB HIS 118 -28.752 -14.333 -2.371 975 HD1 HIS 118 HD1 HIS 118 -26.454 -17.073 -1.330 976 HD2 HIS 118 HD2 HIS 118 -30.219 -15.665 -0.288 977 HE1 HIS 118 HE1 HIS 118 -27.067 -18.265 0.787 978 HE2 HIS 118 HE2 HIS 118 -29.370 -17.444 1.364 979 H HIS 119 H HIS 119 -30.290 -17.960 -4.459 980 HA HIS 119 HA HIS 119 -32.620 -17.381 -2.705 981 HB2 HIS 119 2HB HIS 119 -32.548 -19.143 -5.220 982 HB3 HIS 119 3HB HIS 119 -33.967 -18.796 -4.228 983 HD1 HIS 119 HD1 HIS 119 -31.805 -17.372 -6.889 984 HD2 HIS 119 HD2 HIS 119 -35.038 -16.155 -4.582 985 HE1 HIS 119 HE1 HIS 119 -32.598 -15.236 -7.926 986 HE2 HIS 119 HE2 HIS 119 -34.535 -14.501 -6.501 987 H HIS 120 H HIS 120 -30.421 -19.751 -4.057 988 HA HIS 120 HA HIS 120 -30.354 -21.248 -1.516 989 HB2 HIS 120 2HB HIS 120 -31.578 -22.576 -3.253 990 HB3 HIS 120 3HB HIS 120 -30.192 -22.434 -4.332 991 HD1 HIS 120 HD1 HIS 120 -27.965 -23.691 -3.506 992 HD2 HIS 120 HD2 HIS 120 -31.453 -24.681 -1.469 993 HE1 HIS 120 HE1 HIS 120 -27.451 -25.823 -2.283 994 HE2 HIS 120 HE2 HIS 120 -29.542 -26.349 -0.988 Start of MODEL 13 1 H1 MET 1 1H MET 1 23.560 -2.686 -2.446 2 H2 MET 1 2H MET 1 24.550 -2.624 -1.081 3 H3 MET 1 3H MET 1 23.246 -1.558 -1.229 4 HA MET 1 HA MET 1 23.085 -4.493 -0.950 5 HB2 MET 1 2HB MET 1 22.360 -2.254 0.994 6 HB3 MET 1 3HB MET 1 22.025 -3.959 1.269 7 HG2 MET 1 2HG MET 1 24.805 -2.791 0.958 8 HG3 MET 1 3HG MET 1 24.018 -3.119 2.502 9 HE1 MET 1 3HE MET 1 23.549 -5.566 3.454 10 HE2 MET 1 1HE MET 1 23.795 -7.039 2.517 11 HE3 MET 1 2HE MET 1 22.533 -5.900 2.051 12 H SER 2 H SER 2 21.779 -4.631 -2.815 13 HA SER 2 HA SER 2 19.053 -3.516 -2.661 14 HB2 SER 2 2HB SER 2 18.891 -4.529 -5.027 15 HB3 SER 2 3HB SER 2 20.016 -3.186 -4.839 16 HG SER 2 HG SER 2 20.739 -5.945 -4.810 17 H GLY 3 H GLY 3 17.966 -4.733 -1.219 18 HA2 GLY 3 2HA GLY 3 16.915 -7.239 -1.683 19 HA3 GLY 3 3HA GLY 3 18.380 -7.522 -0.738 20 H LYS 4 H LYS 4 15.389 -5.623 -0.794 21 HA LYS 4 HA LYS 4 15.538 -5.219 2.125 22 HB2 LYS 4 2HB LYS 4 13.989 -3.733 -0.042 23 HB3 LYS 4 3HB LYS 4 13.804 -3.419 1.684 24 HG2 LYS 4 2HG LYS 4 16.175 -2.765 1.832 25 HG3 LYS 4 3HG LYS 4 16.377 -3.083 0.104 26 HD2 LYS 4 2HD LYS 4 14.885 -1.281 -0.488 27 HD3 LYS 4 3HD LYS 4 14.376 -1.067 1.192 28 HE2 LYS 4 2HE LYS 4 17.180 -0.555 0.140 29 HE3 LYS 4 3HE LYS 4 15.968 0.683 0.488 30 HZ1 LYS 4 3HZ LYS 4 17.560 0.362 2.312 31 HZ2 LYS 4 1HZ LYS 4 17.037 -1.230 2.486 32 HZ3 LYS 4 2HZ LYS 4 15.971 0.045 2.794 33 H LYS 5 H LYS 5 14.236 -6.318 3.384 34 HA LYS 5 HA LYS 5 11.700 -7.471 2.410 35 HB2 LYS 5 2HB LYS 5 13.331 -8.975 3.620 36 HB3 LYS 5 3HB LYS 5 13.205 -7.956 5.038 37 HG2 LYS 5 2HG LYS 5 10.742 -9.296 3.892 38 HG3 LYS 5 3HG LYS 5 11.849 -10.200 4.918 39 HD2 LYS 5 2HD LYS 5 10.332 -7.683 5.701 40 HD3 LYS 5 3HD LYS 5 9.971 -9.327 6.229 41 HE2 LYS 5 2HE LYS 5 12.075 -9.462 7.455 42 HE3 LYS 5 3HE LYS 5 12.590 -7.893 6.821 43 HZ1 LYS 5 3HZ LYS 5 10.229 -8.321 8.572 44 HZ2 LYS 5 1HZ LYS 5 10.797 -6.835 8.015 45 HZ3 LYS 5 2HZ LYS 5 11.727 -7.747 9.088 46 H VAL 6 H VAL 6 10.233 -5.873 2.479 47 HA VAL 6 HA VAL 6 10.052 -4.061 4.799 48 HB VAL 6 HB VAL 6 9.967 -2.965 2.589 49 HG11 VAL 6 1HG1 VAL 6 7.483 -4.616 2.021 50 HG12 VAL 6 2HG1 VAL 6 9.050 -4.791 1.229 51 HG13 VAL 6 3HG1 VAL 6 8.112 -3.312 1.008 52 HG21 VAL 6 3HG2 VAL 6 7.899 -1.639 2.866 53 HG22 VAL 6 1HG2 VAL 6 8.684 -1.929 4.421 54 HG23 VAL 6 2HG2 VAL 6 7.256 -2.861 3.965 55 H GLU 7 H GLU 7 8.285 -4.068 6.121 56 HA GLU 7 HA GLU 7 6.247 -6.175 5.814 57 HB2 GLU 7 2HB GLU 7 6.985 -4.414 8.192 58 HB3 GLU 7 3HB GLU 7 5.670 -5.582 8.196 59 HG2 GLU 7 2HG GLU 7 7.197 -7.435 7.995 60 HG3 GLU 7 3HG GLU 7 8.551 -6.360 7.660 61 H VAL 8 H VAL 8 4.630 -5.490 4.660 62 HA VAL 8 HA VAL 8 3.715 -2.698 4.598 63 HB VAL 8 HB VAL 8 3.133 -5.092 2.771 64 HG11 VAL 8 1HG1 VAL 8 2.190 -2.226 2.431 65 HG12 VAL 8 2HG1 VAL 8 1.175 -3.608 2.839 66 HG13 VAL 8 3HG1 VAL 8 1.968 -3.534 1.267 67 HG21 VAL 8 3HG2 VAL 8 4.462 -3.875 1.078 68 HG22 VAL 8 1HG2 VAL 8 5.421 -4.227 2.518 69 HG23 VAL 8 2HG2 VAL 8 4.799 -2.598 2.250 70 H GLN 9 H GLN 9 2.226 -2.335 6.151 71 HA GLN 9 HA GLN 9 0.392 -4.470 7.054 72 HB2 GLN 9 2HB GLN 9 0.991 -1.743 8.302 73 HB3 GLN 9 3HB GLN 9 0.095 -3.059 9.051 74 HG2 GLN 9 2HG GLN 9 2.119 -4.412 9.203 75 HG3 GLN 9 3HG GLN 9 3.031 -3.201 8.300 76 HE21 GLN 9 1HE2 GLN 9 3.655 -1.275 9.350 77 HE22 GLN 9 2HE2 GLN 9 3.594 -1.101 11.070 78 H VAL 10 H VAL 10 -1.330 -4.439 5.658 79 HA VAL 10 HA VAL 10 -2.414 -1.883 4.669 80 HB VAL 10 HB VAL 10 -3.089 -4.757 3.832 81 HG11 VAL 10 1HG1 VAL 10 -4.308 -3.736 1.935 82 HG12 VAL 10 2HG1 VAL 10 -3.992 -2.127 2.590 83 HG13 VAL 10 3HG1 VAL 10 -5.012 -3.258 3.482 84 HG21 VAL 10 3HG2 VAL 10 -0.804 -4.132 3.184 85 HG22 VAL 10 1HG2 VAL 10 -1.396 -2.651 2.426 86 HG23 VAL 10 2HG2 VAL 10 -1.836 -4.224 1.757 87 H LYS 11 H LYS 11 -3.712 -1.010 6.127 88 HA LYS 11 HA LYS 11 -5.667 -2.632 7.645 89 HB2 LYS 11 2HB LYS 11 -3.956 -1.390 8.994 90 HB3 LYS 11 3HB LYS 11 -4.458 0.121 8.243 91 HG2 LYS 11 2HG LYS 11 -6.756 -0.249 9.241 92 HG3 LYS 11 3HG LYS 11 -6.089 -1.625 10.119 93 HD2 LYS 11 2HD LYS 11 -5.229 1.280 10.394 94 HD3 LYS 11 3HD LYS 11 -6.186 0.361 11.554 95 HE2 LYS 11 2HE LYS 11 -3.296 -0.180 10.797 96 HE3 LYS 11 3HE LYS 11 -3.861 0.545 12.300 97 HZ1 LYS 11 3HZ LYS 11 -4.329 -2.235 11.377 98 HZ2 LYS 11 1HZ LYS 11 -5.084 -1.551 12.726 99 HZ3 LYS 11 2HZ LYS 11 -3.408 -1.737 12.704 100 H ILE 12 H ILE 12 -7.493 -2.568 6.353 101 HA ILE 12 HA ILE 12 -8.370 0.071 5.299 102 HB ILE 12 HB ILE 12 -7.927 -1.542 3.489 103 HG12 ILE 12 2HG1 ILE 12 -10.909 -1.003 3.862 104 HG13 ILE 12 3HG1 ILE 12 -9.738 0.132 3.203 105 HG21 ILE 12 1HG2 ILE 12 -8.299 -3.661 4.680 106 HG22 ILE 12 2HG2 ILE 12 -9.243 -3.606 3.192 107 HG23 ILE 12 3HG2 ILE 12 -10.034 -3.334 4.746 108 HD11 ILE 12 3HD1 ILE 12 -10.561 -2.481 1.958 109 HD12 ILE 12 1HD1 ILE 12 -9.377 -1.350 1.301 110 HD13 ILE 12 2HD1 ILE 12 -11.065 -0.867 1.462 111 H THR 13 H THR 13 -10.442 0.748 5.724 112 HA THR 13 HA THR 13 -12.046 -0.830 7.666 113 HB THR 13 HB THR 13 -11.703 2.207 7.553 114 HG1 THR 13 HG1 THR 13 -10.743 0.376 9.530 115 HG21 THR 13 3HG2 THR 13 -13.135 0.464 9.606 116 HG22 THR 13 1HG2 THR 13 -13.916 1.553 8.455 117 HG23 THR 13 2HG2 THR 13 -12.887 2.207 9.730 118 H CYS 14 H CYS 14 -14.098 -1.163 7.134 119 HA CYS 14 HA CYS 14 -15.720 0.609 5.547 120 HB2 CYS 14 2HB CYS 14 -14.736 -0.559 3.679 121 HB3 CYS 14 3HB CYS 14 -14.974 -2.125 4.461 122 H ASN 15 H ASN 15 -17.822 0.445 6.163 123 HA ASN 15 HA ASN 15 -19.705 -0.107 7.295 124 HB2 ASN 15 2HB ASN 15 -18.710 -2.968 6.923 125 HB3 ASN 15 3HB ASN 15 -20.299 -2.563 7.562 126 HD21 ASN 15 1HD2 ASN 15 -18.424 -2.962 4.716 127 HD22 ASN 15 2HD2 ASN 15 -19.658 -2.540 3.583 128 H GLY 16 H GLY 16 -17.194 0.445 8.771 129 HA2 GLY 16 2HA GLY 16 -16.539 0.649 10.974 130 HA3 GLY 16 3HA GLY 16 -18.011 -0.188 11.452 131 H LYS 17 H LYS 17 -16.106 -1.830 9.141 132 HA LYS 17 HA LYS 17 -14.879 -3.584 11.191 133 HB2 LYS 17 2HB LYS 17 -16.138 -4.255 8.501 134 HB3 LYS 17 3HB LYS 17 -15.039 -5.364 9.301 135 HG2 LYS 17 2HG LYS 17 -17.348 -4.413 10.953 136 HG3 LYS 17 3HG LYS 17 -17.736 -5.445 9.581 137 HD2 LYS 17 2HD LYS 17 -17.488 -6.798 11.592 138 HD3 LYS 17 3HD LYS 17 -16.212 -7.189 10.441 139 HE2 LYS 17 2HE LYS 17 -14.635 -5.786 11.745 140 HE3 LYS 17 3HE LYS 17 -15.920 -5.437 12.905 141 HZ1 LYS 17 3HZ LYS 17 -14.484 -7.219 13.671 142 HZ2 LYS 17 1HZ LYS 17 -14.832 -8.141 12.300 143 HZ3 LYS 17 2HZ LYS 17 -16.048 -7.794 13.420 144 H THR 18 H THR 18 -12.754 -3.561 11.187 145 HA THR 18 HA THR 18 -11.262 -2.518 8.871 146 HB THR 18 HB THR 18 -10.349 -2.977 11.754 147 HG1 THR 18 HG1 THR 18 -11.826 -1.233 11.539 148 HG21 THR 18 3HG2 THR 18 -8.465 -3.143 10.158 149 HG22 THR 18 1HG2 THR 18 -8.359 -1.664 11.116 150 HG23 THR 18 2HG2 THR 18 -8.922 -1.594 9.446 151 H TYR 19 H TYR 19 -10.319 -3.916 7.565 152 HA TYR 19 HA TYR 19 -9.645 -6.673 8.384 153 HB2 TYR 19 2HB TYR 19 -10.039 -5.491 5.585 154 HB3 TYR 19 3HB TYR 19 -9.678 -7.175 5.944 155 HD1 TYR 19 HD2 TYR 19 -12.308 -4.543 6.135 156 HD2 TYR 19 HD1 TYR 19 -11.451 -8.701 6.654 157 HE1 TYR 19 HE2 TYR 19 -14.716 -5.027 6.234 158 HE2 TYR 19 HE1 TYR 19 -13.863 -9.180 6.746 159 HH TYR 19 HH TYR 19 -16.226 -6.941 5.821 160 H GLU 20 H GLU 20 -7.519 -6.799 8.923 161 HA GLU 20 HA GLU 20 -5.507 -5.327 7.382 162 HB2 GLU 20 2HB GLU 20 -4.444 -4.473 9.476 163 HB3 GLU 20 3HB GLU 20 -6.022 -3.782 9.138 164 HG2 GLU 20 2HG GLU 20 -6.031 -4.116 11.451 165 HG3 GLU 20 3HG GLU 20 -6.955 -5.481 10.832 166 H ARG 21 H ARG 21 -3.371 -6.052 7.576 167 HA ARG 21 HA ARG 21 -2.532 -8.172 9.273 168 HB2 ARG 21 2HB ARG 21 -3.832 -9.578 7.698 169 HB3 ARG 21 3HB ARG 21 -2.952 -8.910 6.329 170 HG2 ARG 21 2HG ARG 21 -0.879 -9.975 7.097 171 HG3 ARG 21 3HG ARG 21 -1.686 -10.549 8.555 172 HD2 ARG 21 2HD ARG 21 -2.417 -11.382 5.730 173 HD3 ARG 21 3HD ARG 21 -1.419 -12.324 6.844 174 HE ARG 21 HE ARG 21 -3.873 -11.717 8.081 175 HH11 ARG 21 1HH1 ARG 21 -2.616 -13.775 5.537 176 HH12 ARG 21 2HH1 ARG 21 -3.859 -14.969 5.714 177 HH21 ARG 21 1HH2 ARG 21 -5.526 -13.273 8.302 178 HH22 ARG 21 2HH2 ARG 21 -5.518 -14.683 7.291 179 H THR 22 H THR 22 -0.305 -8.309 9.328 180 HA THR 22 HA THR 22 1.289 -6.418 7.796 181 HB THR 22 HB THR 22 2.138 -8.469 9.904 182 HG1 THR 22 HG1 THR 22 1.630 -7.002 11.353 183 HG21 THR 22 3HG2 THR 22 3.636 -6.059 8.797 184 HG22 THR 22 1HG2 THR 22 4.045 -7.751 8.501 185 HG23 THR 22 2HG2 THR 22 4.185 -7.079 10.127 186 H TYR 23 H TYR 23 1.860 -7.010 5.785 187 HA TYR 23 HA TYR 23 2.349 -9.830 5.051 188 HB2 TYR 23 2HB TYR 23 2.158 -7.374 3.227 189 HB3 TYR 23 3HB TYR 23 2.202 -9.062 2.718 190 HD1 TYR 23 HD2 TYR 23 0.212 -10.564 3.230 191 HD2 TYR 23 HD1 TYR 23 0.084 -6.340 3.884 192 HE1 TYR 23 HE2 TYR 23 -2.246 -10.648 3.378 193 HE2 TYR 23 HE1 TYR 23 -2.354 -6.438 4.039 194 HH TYR 23 HH TYR 23 -4.060 -9.333 4.375 195 H GLN 24 H GLN 24 4.345 -10.489 4.335 196 HA GLN 24 HA GLN 24 6.629 -8.636 4.770 197 HB2 GLN 24 2HB GLN 24 6.492 -11.697 4.923 198 HB3 GLN 24 3HB GLN 24 7.982 -10.766 5.036 199 HG2 GLN 24 2HG GLN 24 7.331 -11.388 7.263 200 HG3 GLN 24 3HG GLN 24 7.079 -9.651 7.099 201 HE21 GLN 24 1HE2 GLN 24 5.551 -9.545 8.780 202 HE22 GLN 24 2HE2 GLN 24 3.967 -10.218 8.643 203 H LEU 25 H LEU 25 7.314 -7.839 2.886 204 HA LEU 25 HA LEU 25 7.186 -9.468 0.411 205 HB2 LEU 25 2HB LEU 25 6.891 -6.437 0.692 206 HB3 LEU 25 3HB LEU 25 6.886 -7.322 -0.824 207 HG LEU 25 HG LEU 25 4.768 -7.474 1.357 208 HD11 LEU 25 1HD1 LEU 25 4.598 -6.356 -1.460 209 HD12 LEU 25 2HD1 LEU 25 4.636 -5.422 0.037 210 HD13 LEU 25 3HD1 LEU 25 3.266 -6.474 -0.304 211 HD21 LEU 25 3HD2 LEU 25 4.888 -9.013 -1.261 212 HD22 LEU 25 1HD2 LEU 25 3.496 -8.952 -0.172 213 HD23 LEU 25 2HD2 LEU 25 5.003 -9.686 0.366 214 H TYR 26 H TYR 26 9.233 -10.211 0.249 215 HA TYR 26 HA TYR 26 11.541 -8.423 0.600 216 HB2 TYR 26 2HB TYR 26 11.642 -10.701 1.611 217 HB3 TYR 26 3HB TYR 26 11.435 -11.431 0.020 218 HD1 TYR 26 HD1 TYR 26 13.693 -9.051 1.847 219 HD2 TYR 26 HD2 TYR 26 13.428 -12.049 -1.187 220 HE1 TYR 26 HE1 TYR 26 16.113 -8.950 1.551 221 HE2 TYR 26 HE2 TYR 26 15.878 -11.951 -1.475 222 HH TYR 26 HH TYR 26 17.722 -10.324 -1.066 223 H ALA 27 H ALA 27 12.432 -7.439 -1.118 224 HA ALA 27 HA ALA 27 12.419 -8.700 -3.785 225 HB1 ALA 27 3HB ALA 27 11.680 -5.796 -3.255 226 HB2 ALA 27 1HB ALA 27 10.578 -7.059 -3.803 227 HB3 ALA 27 2HB ALA 27 11.897 -6.530 -4.845 228 H VAL 28 H VAL 28 14.182 -8.080 -5.066 229 HA VAL 28 HA VAL 28 16.579 -7.258 -3.700 230 HB VAL 28 HB VAL 28 16.126 -7.612 -6.707 231 HG11 VAL 28 1HG1 VAL 28 18.728 -7.628 -5.128 232 HG12 VAL 28 2HG1 VAL 28 18.183 -6.363 -6.232 233 HG13 VAL 28 3HG1 VAL 28 18.567 -7.967 -6.854 234 HG21 VAL 28 3HG2 VAL 28 15.528 -9.683 -5.525 235 HG22 VAL 28 1HG2 VAL 28 17.091 -9.687 -4.703 236 HG23 VAL 28 2HG2 VAL 28 17.012 -9.904 -6.453 237 H ARG 29 H ARG 29 14.707 -5.904 -6.434 238 HA ARG 29 HA ARG 29 15.850 -3.222 -5.950 239 HB2 ARG 29 2HB ARG 29 14.427 -4.380 -8.387 240 HB3 ARG 29 3HB ARG 29 14.963 -2.707 -8.258 241 HG2 ARG 29 2HG ARG 29 17.295 -3.435 -8.099 242 HG3 ARG 29 3HG ARG 29 16.789 -5.124 -8.145 243 HD2 ARG 29 2HD ARG 29 15.953 -4.865 -10.414 244 HD3 ARG 29 3HD ARG 29 16.287 -3.127 -10.379 245 HE ARG 29 HE ARG 29 18.555 -4.910 -9.950 246 HH11 ARG 29 1HH1 ARG 29 16.787 -2.919 -12.238 247 HH12 ARG 29 2HH1 ARG 29 18.110 -2.819 -13.355 248 HH21 ARG 29 1HH2 ARG 29 20.300 -4.737 -11.399 249 HH22 ARG 29 2HH2 ARG 29 20.105 -3.850 -12.878 250 H ASP 30 H ASP 30 14.384 -1.421 -6.467 251 HA ASP 30 HA ASP 30 12.216 -1.255 -4.647 252 HB2 ASP 30 2HB ASP 30 12.867 0.669 -6.934 253 HB3 ASP 30 3HB ASP 30 11.944 1.038 -5.485 254 H GLU 31 H GLU 31 12.451 -1.304 -8.147 255 HA GLU 31 HA GLU 31 9.766 -1.048 -8.916 256 HB2 GLU 31 2HB GLU 31 10.571 -1.942 -11.119 257 HB3 GLU 31 3HB GLU 31 11.608 -0.683 -10.465 258 HG2 GLU 31 2HG GLU 31 13.042 -2.649 -9.524 259 HG3 GLU 31 3HG GLU 31 12.152 -3.644 -10.669 260 H GLU 32 H GLU 32 11.567 -3.851 -7.834 261 HA GLU 32 HA GLU 32 9.812 -5.885 -8.811 262 HB2 GLU 32 2HB GLU 32 11.885 -5.946 -6.585 263 HB3 GLU 32 3HB GLU 32 11.134 -7.367 -7.302 264 HG2 GLU 32 2HG GLU 32 12.924 -5.380 -8.721 265 HG3 GLU 32 3HG GLU 32 13.372 -7.004 -8.204 266 H LEU 33 H LEU 33 9.822 -3.842 -6.002 267 HA LEU 33 HA LEU 33 8.077 -5.437 -4.375 268 HB2 LEU 33 2HB LEU 33 9.725 -3.284 -3.862 269 HB3 LEU 33 3HB LEU 33 8.173 -2.477 -3.889 270 HG LEU 33 HG LEU 33 8.748 -3.036 -1.594 271 HD11 LEU 33 1HD1 LEU 33 6.537 -4.909 -2.485 272 HD12 LEU 33 2HD1 LEU 33 6.365 -3.198 -2.093 273 HD13 LEU 33 3HD1 LEU 33 6.827 -4.340 -0.837 274 HD21 LEU 33 3HD2 LEU 33 8.975 -5.947 -2.428 275 HD22 LEU 33 1HD2 LEU 33 9.125 -5.314 -0.785 276 HD23 LEU 33 2HD2 LEU 33 10.315 -4.877 -2.006 277 H LYS 34 H LYS 34 7.628 -3.092 -6.957 278 HA LYS 34 HA LYS 34 5.108 -2.052 -6.479 279 HB2 LYS 34 2HB LYS 34 6.434 -2.703 -9.137 280 HB3 LYS 34 3HB LYS 34 4.845 -1.957 -9.054 281 HG2 LYS 34 2HG LYS 34 5.943 -0.082 -7.688 282 HG3 LYS 34 3HG LYS 34 7.494 -0.786 -8.167 283 HD2 LYS 34 2HD LYS 34 6.887 1.033 -9.720 284 HD3 LYS 34 3HD LYS 34 6.868 -0.516 -10.567 285 HE2 LYS 34 2HE LYS 34 4.361 -0.582 -10.223 286 HE3 LYS 34 3HE LYS 34 4.458 1.057 -9.582 287 HZ1 LYS 34 3HZ LYS 34 3.841 1.058 -11.916 288 HZ2 LYS 34 1HZ LYS 34 5.250 0.218 -12.326 289 HZ3 LYS 34 2HZ LYS 34 5.344 1.788 -11.712 290 H GLU 35 H GLU 35 5.808 -4.956 -8.461 291 HA GLU 35 HA GLU 35 3.163 -5.569 -9.097 292 HB2 GLU 35 2HB GLU 35 4.053 -7.798 -9.824 293 HB3 GLU 35 3HB GLU 35 4.951 -6.427 -10.443 294 HG2 GLU 35 2HG GLU 35 6.675 -7.850 -9.915 295 HG3 GLU 35 3HG GLU 35 6.579 -6.916 -8.425 296 H LYS 36 H LYS 36 5.052 -6.454 -6.291 297 HA LYS 36 HA LYS 36 3.341 -8.456 -5.213 298 HB2 LYS 36 2HB LYS 36 5.181 -6.599 -3.637 299 HB3 LYS 36 3HB LYS 36 4.596 -8.185 -3.136 300 HG2 LYS 36 2HG LYS 36 5.897 -9.231 -4.953 301 HG3 LYS 36 3HG LYS 36 6.479 -7.638 -5.440 302 HD2 LYS 36 2HD LYS 36 7.512 -7.403 -3.136 303 HD3 LYS 36 3HD LYS 36 7.074 -9.092 -2.834 304 HE2 LYS 36 2HE LYS 36 8.925 -8.055 -5.001 305 HE3 LYS 36 3HE LYS 36 9.388 -8.965 -3.569 306 HZ1 LYS 36 3HZ LYS 36 7.687 -9.982 -5.777 307 HZ2 LYS 36 1HZ LYS 36 8.156 -10.857 -4.408 308 HZ3 LYS 36 2HZ LYS 36 9.317 -10.361 -5.530 309 H LEU 37 H LEU 37 3.686 -4.964 -4.635 310 HA LEU 37 HA LEU 37 1.701 -4.548 -2.704 311 HB2 LEU 37 2HB LEU 37 2.732 -2.694 -4.892 312 HB3 LEU 37 3HB LEU 37 1.704 -2.158 -3.572 313 HG LEU 37 HG LEU 37 4.438 -3.412 -3.138 314 HD11 LEU 37 1HD1 LEU 37 4.722 -1.355 -4.421 315 HD12 LEU 37 2HD1 LEU 37 5.308 -1.147 -2.773 316 HD13 LEU 37 3HD1 LEU 37 3.752 -0.462 -3.248 317 HD21 LEU 37 3HD2 LEU 37 2.940 -3.579 -1.206 318 HD22 LEU 37 1HD2 LEU 37 2.636 -1.839 -1.263 319 HD23 LEU 37 2HD2 LEU 37 4.249 -2.449 -0.880 320 H LYS 38 H LYS 38 1.518 -4.516 -6.271 321 HA LYS 38 HA LYS 38 -1.156 -3.720 -6.591 322 HB2 LYS 38 2HB LYS 38 0.613 -5.457 -8.383 323 HB3 LYS 38 3HB LYS 38 -0.923 -4.752 -8.883 324 HG2 LYS 38 2HG LYS 38 -0.022 -2.497 -8.628 325 HG3 LYS 38 3HG LYS 38 1.484 -3.151 -7.988 326 HD2 LYS 38 2HD LYS 38 1.932 -2.567 -10.254 327 HD3 LYS 38 3HD LYS 38 1.814 -4.325 -10.221 328 HE2 LYS 38 2HE LYS 38 -0.448 -2.486 -11.070 329 HE3 LYS 38 3HE LYS 38 0.702 -3.218 -12.181 330 HZ1 LYS 38 3HZ LYS 38 -1.346 -4.459 -12.104 331 HZ2 LYS 38 1HZ LYS 38 -1.192 -4.696 -10.441 332 HZ3 LYS 38 2HZ LYS 38 -0.083 -5.397 -11.500 333 H LYS 39 H LYS 39 0.317 -6.973 -6.283 334 HA LYS 39 HA LYS 39 -2.061 -8.472 -6.566 335 HB2 LYS 39 2HB LYS 39 0.442 -9.169 -4.975 336 HB3 LYS 39 3HB LYS 39 -0.843 -10.306 -5.366 337 HG2 LYS 39 2HG LYS 39 1.020 -8.928 -7.308 338 HG3 LYS 39 3HG LYS 39 1.010 -10.637 -6.878 339 HD2 LYS 39 2HD LYS 39 -1.255 -10.852 -7.914 340 HD3 LYS 39 3HD LYS 39 -1.179 -9.149 -8.380 341 HE2 LYS 39 2HE LYS 39 0.827 -9.638 -9.765 342 HE3 LYS 39 3HE LYS 39 0.688 -11.348 -9.334 343 HZ1 LYS 39 3HZ LYS 39 -0.336 -10.928 -11.462 344 HZ2 LYS 39 1HZ LYS 39 -1.329 -9.739 -10.795 345 HZ3 LYS 39 2HZ LYS 39 -1.530 -11.351 -10.342 346 H VAL 40 H VAL 40 -0.418 -7.298 -3.615 347 HA VAL 40 HA VAL 40 -2.171 -8.358 -1.700 348 HB VAL 40 HB VAL 40 -0.337 -5.915 -1.513 349 HG11 VAL 40 1HG1 VAL 40 -1.676 -7.438 0.754 350 HG12 VAL 40 2HG1 VAL 40 -2.022 -5.778 0.261 351 HG13 VAL 40 3HG1 VAL 40 -0.449 -6.182 0.945 352 HG21 VAL 40 3HG2 VAL 40 1.254 -7.438 -0.394 353 HG22 VAL 40 1HG2 VAL 40 0.863 -8.019 -2.013 354 HG23 VAL 40 2HG2 VAL 40 0.132 -8.786 -0.604 355 H LEU 41 H LEU 41 -2.238 -5.262 -3.442 356 HA LEU 41 HA LEU 41 -4.374 -4.084 -1.968 357 HB2 LEU 41 2HB LEU 41 -3.176 -3.435 -4.689 358 HB3 LEU 41 3HB LEU 41 -4.542 -2.538 -4.045 359 HG LEU 41 HG LEU 41 -1.789 -2.721 -2.751 360 HD11 LEU 41 1HD1 LEU 41 -3.106 -0.374 -4.154 361 HD12 LEU 41 2HD1 LEU 41 -1.766 -1.342 -4.771 362 HD13 LEU 41 3HD1 LEU 41 -1.541 -0.354 -3.332 363 HD21 LEU 41 3HD2 LEU 41 -2.603 -1.045 -1.147 364 HD22 LEU 41 1HD2 LEU 41 -3.538 -2.535 -1.042 365 HD23 LEU 41 2HD2 LEU 41 -4.218 -1.124 -1.856 366 H ASN 42 H ASN 42 -4.284 -5.733 -5.166 367 HA ASN 42 HA ASN 42 -7.062 -5.661 -5.670 368 HB2 ASN 42 2HB ASN 42 -4.896 -7.539 -6.716 369 HB3 ASN 42 3HB ASN 42 -6.569 -7.620 -7.263 370 HD21 ASN 42 1HD2 ASN 42 -6.073 -7.080 -9.376 371 HD22 ASN 42 2HD2 ASN 42 -5.547 -5.505 -9.852 372 H GLU 43 H GLU 43 -5.123 -7.897 -3.774 373 HA GLU 43 HA GLU 43 -7.083 -9.907 -3.354 374 HB2 GLU 43 2HB GLU 43 -4.578 -9.082 -1.844 375 HB3 GLU 43 3HB GLU 43 -5.621 -10.354 -1.229 376 HG2 GLU 43 2HG GLU 43 -4.252 -10.386 -3.930 377 HG3 GLU 43 3HG GLU 43 -3.667 -11.209 -2.489 378 H ARG 44 H ARG 44 -6.085 -7.088 -1.376 379 HA ARG 44 HA ARG 44 -7.993 -7.660 0.682 380 HB2 ARG 44 2HB ARG 44 -5.643 -6.385 0.811 381 HB3 ARG 44 3HB ARG 44 -6.629 -4.962 0.513 382 HG2 ARG 44 2HG ARG 44 -6.445 -5.066 2.854 383 HG3 ARG 44 3HG ARG 44 -8.047 -5.725 2.531 384 HD2 ARG 44 2HD ARG 44 -5.534 -7.332 3.137 385 HD3 ARG 44 3HD ARG 44 -6.867 -7.026 4.248 386 HE ARG 44 HE ARG 44 -8.274 -8.455 2.918 387 HH11 ARG 44 1HH1 ARG 44 -4.847 -8.709 2.102 388 HH12 ARG 44 2HH1 ARG 44 -5.032 -10.255 1.347 389 HH21 ARG 44 1HH2 ARG 44 -8.468 -10.465 1.876 390 HH22 ARG 44 2HH2 ARG 44 -7.064 -11.240 1.217 391 H MET 45 H MET 45 -8.029 -5.704 -2.173 392 HA MET 45 HA MET 45 -10.296 -4.073 -1.417 393 HB2 MET 45 2HB MET 45 -8.717 -4.384 -3.997 394 HB3 MET 45 3HB MET 45 -10.165 -3.396 -3.915 395 HG2 MET 45 2HG MET 45 -8.117 -2.759 -1.864 396 HG3 MET 45 3HG MET 45 -7.652 -2.448 -3.531 397 HE1 MET 45 3HE MET 45 -11.206 -0.395 -1.412 398 HE2 MET 45 1HE MET 45 -10.127 -1.559 -0.646 399 HE3 MET 45 2HE MET 45 -11.284 -2.097 -1.862 400 H ASP 46 H ASP 46 -9.819 -7.140 -3.044 401 HA ASP 46 HA ASP 46 -12.008 -7.161 -4.773 402 HB2 ASP 46 2HB ASP 46 -10.219 -8.790 -5.010 403 HB3 ASP 46 3HB ASP 46 -10.603 -9.527 -3.463 404 HA PRO 47 HA PRO 47 -14.805 -9.280 -1.319 405 HB2 PRO 47 2HB PRO 47 -14.064 -8.847 1.315 406 HB3 PRO 47 3HB PRO 47 -13.591 -10.292 0.398 407 HG2 PRO 47 2HG PRO 47 -12.004 -7.786 0.884 408 HG3 PRO 47 3HG PRO 47 -11.489 -9.482 1.038 409 HD2 PRO 47 2HD PRO 47 -10.864 -8.052 -1.131 410 HD3 PRO 47 3HD PRO 47 -11.311 -9.770 -1.276 411 H ILE 48 H ILE 48 -13.080 -6.254 -0.804 412 HA ILE 48 HA ILE 48 -15.133 -4.899 0.703 413 HB ILE 48 HB ILE 48 -12.608 -3.845 -0.660 414 HG12 ILE 48 2HG1 ILE 48 -12.147 -5.526 1.105 415 HG13 ILE 48 3HG1 ILE 48 -11.566 -3.937 1.572 416 HG21 ILE 48 1HG2 ILE 48 -12.799 -1.860 0.789 417 HG22 ILE 48 2HG2 ILE 48 -14.351 -2.439 1.392 418 HG23 ILE 48 3HG2 ILE 48 -14.176 -1.997 -0.307 419 HD11 ILE 48 3HD1 ILE 48 -12.554 -5.105 3.445 420 HD12 ILE 48 1HD1 ILE 48 -14.080 -5.272 2.579 421 HD13 ILE 48 2HD1 ILE 48 -13.504 -3.672 3.057 422 H LYS 49 H LYS 49 -14.148 -5.068 -2.690 423 HA LYS 49 HA LYS 49 -15.838 -2.987 -3.701 424 HB2 LYS 49 2HB LYS 49 -14.521 -5.367 -5.079 425 HB3 LYS 49 3HB LYS 49 -15.408 -4.110 -5.940 426 HG2 LYS 49 2HG LYS 49 -13.787 -2.421 -5.257 427 HG3 LYS 49 3HG LYS 49 -12.931 -3.598 -4.256 428 HD2 LYS 49 2HD LYS 49 -12.394 -4.918 -6.310 429 HD3 LYS 49 3HD LYS 49 -13.202 -3.692 -7.291 430 HE2 LYS 49 2HE LYS 49 -11.551 -2.012 -6.560 431 HE3 LYS 49 3HE LYS 49 -10.756 -3.223 -5.549 432 HZ1 LYS 49 3HZ LYS 49 -10.289 -4.513 -7.577 433 HZ2 LYS 49 1HZ LYS 49 -9.589 -2.974 -7.625 434 HZ3 LYS 49 2HZ LYS 49 -10.987 -3.289 -8.517 435 H LYS 50 H LYS 50 -16.144 -6.449 -3.139 436 HA LYS 50 HA LYS 50 -18.750 -6.803 -4.261 437 HB2 LYS 50 2HB LYS 50 -17.193 -8.667 -4.013 438 HB3 LYS 50 3HB LYS 50 -17.122 -8.430 -2.270 439 HG2 LYS 50 2HG LYS 50 -19.506 -9.094 -2.086 440 HG3 LYS 50 3HG LYS 50 -19.565 -9.331 -3.838 441 HD2 LYS 50 2HD LYS 50 -19.275 -11.468 -2.611 442 HD3 LYS 50 3HD LYS 50 -17.916 -11.134 -3.687 443 HE2 LYS 50 2HE LYS 50 -16.649 -10.251 -1.696 444 HE3 LYS 50 3HE LYS 50 -17.984 -10.776 -0.668 445 HZ1 LYS 50 3HZ LYS 50 -16.194 -12.397 -0.746 446 HZ2 LYS 50 1HZ LYS 50 -16.366 -12.549 -2.419 447 HZ3 LYS 50 2HZ LYS 50 -17.612 -13.040 -1.389 448 H LEU 51 H LEU 51 -17.519 -5.790 -1.127 449 HA LEU 51 HA LEU 51 -20.022 -5.915 0.298 450 HB2 LEU 51 2HB LEU 51 -17.468 -4.347 0.888 451 HB3 LEU 51 3HB LEU 51 -18.871 -4.331 1.946 452 HG LEU 51 HG LEU 51 -17.118 -6.738 1.317 453 HD11 LEU 51 1HD1 LEU 51 -16.491 -6.658 3.692 454 HD12 LEU 51 2HD1 LEU 51 -17.458 -5.196 3.908 455 HD13 LEU 51 3HD1 LEU 51 -16.044 -5.174 2.851 456 HD21 LEU 51 3HD2 LEU 51 -19.422 -7.483 1.552 457 HD22 LEU 51 1HD2 LEU 51 -19.578 -6.616 3.083 458 HD23 LEU 51 2HD2 LEU 51 -18.473 -7.987 2.946 459 H GLY 52 H GLY 52 -18.372 -3.617 -1.774 460 HA2 GLY 52 2HA GLY 52 -19.171 -1.835 -2.978 461 HA3 GLY 52 3HA GLY 52 -20.785 -2.196 -2.382 462 H CYS 53 H CYS 53 -17.711 -1.190 -0.895 463 HA CYS 53 HA CYS 53 -18.977 0.489 1.045 464 HB2 CYS 53 2HB CYS 53 -16.043 0.481 0.271 465 HB3 CYS 53 3HB CYS 53 -16.750 0.937 1.821 466 H LYS 54 H LYS 54 -19.700 2.513 0.717 467 HA LYS 54 HA LYS 54 -19.321 4.027 -1.665 468 HB2 LYS 54 2HB LYS 54 -20.450 4.873 1.046 469 HB3 LYS 54 3HB LYS 54 -20.587 5.815 -0.439 470 HG2 LYS 54 2HG LYS 54 -21.924 4.050 -1.480 471 HG3 LYS 54 3HG LYS 54 -21.736 3.032 -0.049 472 HD2 LYS 54 2HD LYS 54 -22.993 4.689 1.295 473 HD3 LYS 54 3HD LYS 54 -23.169 5.718 -0.131 474 HE2 LYS 54 2HE LYS 54 -24.507 4.008 -1.247 475 HE3 LYS 54 3HE LYS 54 -24.246 2.887 0.093 476 HZ1 LYS 54 3HZ LYS 54 -25.486 4.332 1.541 477 HZ2 LYS 54 1HZ LYS 54 -26.416 3.982 0.171 478 HZ3 LYS 54 2HZ LYS 54 -25.665 5.490 0.317 479 H ARG 55 H ARG 55 -17.643 3.858 1.356 480 HA ARG 55 HA ARG 55 -15.557 5.681 0.366 481 HB2 ARG 55 2HB ARG 55 -16.941 6.999 1.984 482 HB3 ARG 55 3HB ARG 55 -16.706 5.752 3.202 483 HG2 ARG 55 2HG ARG 55 -15.249 7.657 3.644 484 HG3 ARG 55 3HG ARG 55 -14.275 6.240 3.237 485 HD2 ARG 55 2HD ARG 55 -13.404 8.257 2.145 486 HD3 ARG 55 3HD ARG 55 -13.991 7.101 0.943 487 HE ARG 55 HE ARG 55 -15.827 9.207 1.819 488 HH11 ARG 55 1HH1 ARG 55 -13.672 8.055 -0.699 489 HH12 ARG 55 2HH1 ARG 55 -14.328 9.105 -1.911 490 HH21 ARG 55 1HH2 ARG 55 -16.674 10.601 0.223 491 HH22 ARG 55 2HH2 ARG 55 -16.034 10.551 -1.390 492 H VAL 56 H VAL 56 -13.646 4.628 0.447 493 HA VAL 56 HA VAL 56 -13.163 2.613 2.576 494 HB VAL 56 HB VAL 56 -11.395 1.632 1.090 495 HG11 VAL 56 1HG1 VAL 56 -14.188 1.633 -0.107 496 HG12 VAL 56 2HG1 VAL 56 -13.618 0.612 1.214 497 HG13 VAL 56 3HG1 VAL 56 -12.937 0.419 -0.400 498 HG21 VAL 56 3HG2 VAL 56 -10.938 3.575 -0.375 499 HG22 VAL 56 1HG2 VAL 56 -12.550 3.440 -1.085 500 HG23 VAL 56 2HG2 VAL 56 -11.361 2.160 -1.338 501 H ARG 57 H ARG 57 -11.393 2.849 3.810 502 HA ARG 57 HA ARG 57 -9.352 4.877 3.111 503 HB2 ARG 57 2HB ARG 57 -10.886 5.699 4.914 504 HB3 ARG 57 3HB ARG 57 -10.448 4.309 5.904 505 HG2 ARG 57 2HG ARG 57 -8.173 5.082 6.117 506 HG3 ARG 57 3HG ARG 57 -8.432 6.348 4.915 507 HD2 ARG 57 2HD ARG 57 -10.120 7.379 6.483 508 HD3 ARG 57 3HD ARG 57 -9.643 6.193 7.698 509 HE ARG 57 HE ARG 57 -7.953 8.354 6.602 510 HH11 ARG 57 1HH1 ARG 57 -8.524 5.986 9.136 511 HH12 ARG 57 2HH1 ARG 57 -7.264 6.602 10.154 512 HH21 ARG 57 1HH2 ARG 57 -6.307 9.137 7.940 513 HH22 ARG 57 2HH2 ARG 57 -6.016 8.383 9.467 514 H ILE 58 H ILE 58 -7.701 3.682 2.549 515 HA ILE 58 HA ILE 58 -6.946 1.189 3.923 516 HB ILE 58 HB ILE 58 -5.800 2.386 1.334 517 HG12 ILE 58 2HG1 ILE 58 -7.966 0.236 1.568 518 HG13 ILE 58 3HG1 ILE 58 -8.240 1.895 1.059 519 HG21 ILE 58 1HG2 ILE 58 -4.917 0.107 0.933 520 HG22 ILE 58 2HG2 ILE 58 -5.590 -0.433 2.472 521 HG23 ILE 58 3HG2 ILE 58 -4.305 0.776 2.448 522 HD11 ILE 58 3HD1 ILE 58 -6.585 -0.151 -0.416 523 HD12 ILE 58 1HD1 ILE 58 -6.850 1.522 -0.922 524 HD13 ILE 58 2HD1 ILE 58 -8.206 0.399 -0.833 525 H SER 59 H SER 59 -5.167 1.269 5.251 526 HA SER 59 HA SER 59 -3.363 3.622 5.216 527 HB2 SER 59 2HB SER 59 -4.247 1.978 7.645 528 HB3 SER 59 3HB SER 59 -3.197 3.398 7.665 529 HG SER 59 HG SER 59 -5.948 3.277 6.988 530 H ILE 60 H ILE 60 -1.626 2.811 4.170 531 HA ILE 60 HA ILE 60 -0.692 0.054 4.646 532 HB ILE 60 HB ILE 60 0.104 2.078 2.500 533 HG12 ILE 60 2HG1 ILE 60 -1.648 -0.413 2.248 534 HG13 ILE 60 3HG1 ILE 60 -2.247 1.240 2.277 535 HG21 ILE 60 1HG2 ILE 60 1.956 0.550 2.978 536 HG22 ILE 60 2HG2 ILE 60 1.270 0.200 1.392 537 HG23 ILE 60 3HG2 ILE 60 0.889 -0.841 2.766 538 HD11 ILE 60 3HD1 ILE 60 -2.214 0.382 0.034 539 HD12 ILE 60 1HD1 ILE 60 -0.492 0.025 0.146 540 HD13 ILE 60 2HD1 ILE 60 -1.054 1.699 0.183 541 H ARG 61 H ARG 61 0.630 -0.005 6.368 542 HA ARG 61 HA ARG 61 2.419 2.230 7.011 543 HB2 ARG 61 2HB ARG 61 0.722 0.622 8.580 544 HB3 ARG 61 3HB ARG 61 2.301 -0.068 8.908 545 HG2 ARG 61 2HG ARG 61 1.519 2.840 9.279 546 HG3 ARG 61 3HG ARG 61 1.656 1.636 10.557 547 HD2 ARG 61 2HD ARG 61 4.055 1.427 10.168 548 HD3 ARG 61 3HD ARG 61 3.956 2.527 8.787 549 HE ARG 61 HE ARG 61 3.110 4.201 10.505 550 HH11 ARG 61 1HH1 ARG 61 5.526 1.754 11.299 551 HH12 ARG 61 2HH1 ARG 61 6.237 2.717 12.553 552 HH21 ARG 61 1HH2 ARG 61 4.052 5.421 12.147 553 HH22 ARG 61 2HH2 ARG 61 5.405 4.784 13.027 554 H VAL 62 H VAL 62 4.360 2.079 6.135 555 HA VAL 62 HA VAL 62 5.487 -0.468 5.219 556 HB VAL 62 HB VAL 62 5.980 2.462 4.532 557 HG11 VAL 62 1HG1 VAL 62 7.767 1.800 2.969 558 HG12 VAL 62 2HG1 VAL 62 7.704 0.150 3.585 559 HG13 VAL 62 3HG1 VAL 62 8.222 1.465 4.641 560 HG21 VAL 62 3HG2 VAL 62 5.330 1.753 2.282 561 HG22 VAL 62 1HG2 VAL 62 4.093 1.272 3.446 562 HG23 VAL 62 2HG2 VAL 62 5.230 0.072 2.812 563 H LYS 63 H LYS 63 7.111 -1.420 6.272 564 HA LYS 63 HA LYS 63 8.442 -0.154 8.536 565 HB2 LYS 63 2HB LYS 63 7.545 -2.546 8.530 566 HB3 LYS 63 3HB LYS 63 8.803 -2.944 7.379 567 HG2 LYS 63 2HG LYS 63 9.554 -3.697 9.514 568 HG3 LYS 63 3HG LYS 63 10.509 -2.268 9.111 569 HD2 LYS 63 2HD LYS 63 9.840 -2.238 11.472 570 HD3 LYS 63 3HD LYS 63 9.101 -0.895 10.603 571 HE2 LYS 63 2HE LYS 63 7.451 -1.840 12.095 572 HE3 LYS 63 3HE LYS 63 6.977 -2.251 10.447 573 HZ1 LYS 63 3HZ LYS 63 6.703 -4.181 11.761 574 HZ2 LYS 63 1HZ LYS 63 8.226 -4.014 12.477 575 HZ3 LYS 63 2HZ LYS 63 8.102 -4.444 10.852 576 H HIS 64 H HIS 64 9.998 1.278 7.826 577 HA HIS 64 HA HIS 64 11.638 0.849 5.505 578 HB2 HIS 64 2HB HIS 64 11.858 2.868 7.779 579 HB3 HIS 64 3HB HIS 64 12.896 2.882 6.353 580 HD1 HIS 64 HD1 HIS 64 10.159 4.705 7.523 581 HD2 HIS 64 HD2 HIS 64 10.898 2.781 3.909 582 HE1 HIS 64 HE1 HIS 64 8.658 5.822 5.842 583 HE2 HIS 64 HE2 HIS 64 9.242 4.743 3.648 584 H SER 65 H SER 65 13.853 0.323 5.423 585 HA SER 65 HA SER 65 14.388 -2.023 6.879 586 HB2 SER 65 2HB SER 65 16.287 -0.480 5.056 587 HB3 SER 65 3HB SER 65 16.410 -2.189 5.490 588 HG SER 65 HG SER 65 14.119 -1.112 4.194 589 H ASP 66 H ASP 66 15.917 1.187 7.025 590 HA ASP 66 HA ASP 66 17.239 0.479 9.553 591 HB2 ASP 66 2HB ASP 66 18.823 -0.061 7.685 592 HB3 ASP 66 3HB ASP 66 18.750 1.612 7.157 593 H ALA 67 H ALA 67 17.988 2.329 10.785 594 HA ALA 67 HA ALA 67 16.085 4.484 10.733 595 HB1 ALA 67 3HB ALA 67 16.810 3.417 12.823 596 HB2 ALA 67 1HB ALA 67 17.107 5.154 12.857 597 HB3 ALA 67 2HB ALA 67 18.446 4.031 12.588 598 H ALA 68 H ALA 68 19.276 4.132 9.466 599 HA ALA 68 HA ALA 68 19.722 6.998 9.155 600 HB1 ALA 68 3HB ALA 68 21.255 4.646 7.981 601 HB2 ALA 68 1HB ALA 68 21.660 5.524 9.456 602 HB3 ALA 68 2HB ALA 68 21.736 6.346 7.898 603 H GLU 69 H GLU 69 18.819 4.195 7.157 604 HA GLU 69 HA GLU 69 18.702 5.510 4.651 605 HB2 GLU 69 2HB GLU 69 17.343 2.949 5.590 606 HB3 GLU 69 3HB GLU 69 17.335 3.519 3.926 607 HG2 GLU 69 2HG GLU 69 19.894 3.412 4.027 608 HG3 GLU 69 3HG GLU 69 19.687 2.529 5.540 609 H GLU 70 H GLU 70 16.351 5.137 7.217 610 HA GLU 70 HA GLU 70 13.925 4.978 6.044 611 HB2 GLU 70 2HB GLU 70 12.986 6.039 8.079 612 HB3 GLU 70 3HB GLU 70 14.228 4.850 8.455 613 HG2 GLU 70 2HG GLU 70 15.824 6.519 9.010 614 HG3 GLU 70 3HG GLU 70 14.867 7.798 8.268 615 H LYS 71 H LYS 71 15.703 8.032 6.424 616 HA LYS 71 HA LYS 71 13.563 9.793 5.797 617 HB2 LYS 71 2HB LYS 71 15.342 11.533 5.592 618 HB3 LYS 71 3HB LYS 71 15.499 10.572 7.060 619 HG2 LYS 71 2HG LYS 71 17.294 9.226 5.965 620 HG3 LYS 71 3HG LYS 71 17.160 10.259 4.542 621 HD2 LYS 71 2HD LYS 71 19.066 10.973 5.860 622 HD3 LYS 71 3HD LYS 71 17.824 12.226 5.942 623 HE2 LYS 71 2HE LYS 71 18.866 11.844 8.142 624 HE3 LYS 71 3HE LYS 71 17.155 11.408 8.175 625 HZ1 LYS 71 3HZ LYS 71 19.399 9.487 7.845 626 HZ2 LYS 71 1HZ LYS 71 17.765 9.095 7.976 627 HZ3 LYS 71 2HZ LYS 71 18.575 9.774 9.293 628 H LYS 72 H LYS 72 16.158 8.366 3.828 629 HA LYS 72 HA LYS 72 15.280 9.513 1.326 630 HB2 LYS 72 2HB LYS 72 17.648 8.961 1.628 631 HB3 LYS 72 3HB LYS 72 17.260 7.293 2.027 632 HG2 LYS 72 2HG LYS 72 18.167 7.392 -0.218 633 HG3 LYS 72 3HG LYS 72 16.466 6.933 -0.303 634 HD2 LYS 72 2HD LYS 72 16.949 8.517 -2.073 635 HD3 LYS 72 3HD LYS 72 15.897 9.296 -0.892 636 HE2 LYS 72 2HE LYS 72 17.839 10.470 0.072 637 HE3 LYS 72 3HE LYS 72 18.909 9.664 -1.077 638 HZ1 LYS 72 3HZ LYS 72 16.728 11.568 -1.759 639 HZ2 LYS 72 1HZ LYS 72 17.699 10.760 -2.881 640 HZ3 LYS 72 2HZ LYS 72 18.388 11.882 -1.823 641 H GLU 73 H GLU 73 14.791 6.546 3.155 642 HA GLU 73 HA GLU 73 13.683 5.005 1.015 643 HB2 GLU 73 2HB GLU 73 14.926 4.092 3.075 644 HB3 GLU 73 3HB GLU 73 13.426 4.327 3.972 645 HG2 GLU 73 2HG GLU 73 12.246 2.804 2.467 646 HG3 GLU 73 3HG GLU 73 13.682 2.633 1.460 647 H ALA 74 H ALA 74 12.436 7.342 3.172 648 HA ALA 74 HA ALA 74 9.683 6.671 3.117 649 HB1 ALA 74 3HB ALA 74 11.015 9.399 3.335 650 HB2 ALA 74 1HB ALA 74 10.584 8.339 4.679 651 HB3 ALA 74 2HB ALA 74 9.318 9.049 3.676 652 H LYS 75 H LYS 75 11.515 9.115 1.180 653 HA LYS 75 HA LYS 75 9.474 9.506 -0.738 654 HB2 LYS 75 2HB LYS 75 11.339 11.135 -0.241 655 HB3 LYS 75 3HB LYS 75 12.453 10.078 -1.105 656 HG2 LYS 75 2HG LYS 75 11.131 10.387 -3.179 657 HG3 LYS 75 3HG LYS 75 10.017 11.443 -2.310 658 HD2 LYS 75 2HD LYS 75 11.853 13.060 -1.909 659 HD3 LYS 75 3HD LYS 75 12.980 11.991 -2.752 660 HE2 LYS 75 2HE LYS 75 10.571 13.381 -3.972 661 HE3 LYS 75 3HE LYS 75 12.268 13.782 -4.244 662 HZ1 LYS 75 3HZ LYS 75 12.576 11.586 -5.235 663 HZ2 LYS 75 1HZ LYS 75 11.394 12.472 -6.058 664 HZ3 LYS 75 2HZ LYS 75 10.939 11.238 -4.999 665 H LYS 76 H LYS 76 12.024 7.151 -0.513 666 HA LYS 76 HA LYS 76 12.124 6.085 -3.107 667 HB2 LYS 76 2HB LYS 76 13.739 5.343 -1.467 668 HB3 LYS 76 3HB LYS 76 12.477 4.798 -0.375 669 HG2 LYS 76 2HG LYS 76 11.902 2.971 -1.913 670 HG3 LYS 76 3HG LYS 76 13.137 3.511 -3.043 671 HD2 LYS 76 2HD LYS 76 13.745 2.591 -0.205 672 HD3 LYS 76 3HD LYS 76 13.758 1.513 -1.595 673 HE2 LYS 76 2HE LYS 76 16.029 2.110 -1.201 674 HE3 LYS 76 3HE LYS 76 15.529 3.046 -2.611 675 HZ1 LYS 76 3HZ LYS 76 16.812 4.341 -1.016 676 HZ2 LYS 76 1HZ LYS 76 15.642 4.081 0.172 677 HZ3 LYS 76 2HZ LYS 76 15.266 4.979 -1.216 678 H PHE 77 H PHE 77 10.171 4.974 -0.315 679 HA PHE 77 HA PHE 77 8.686 3.096 -1.934 680 HB2 PHE 77 2HB PHE 77 9.401 3.061 0.711 681 HB3 PHE 77 3HB PHE 77 7.764 3.681 0.879 682 HD1 PHE 77 HD2 PHE 77 5.872 2.305 -0.332 683 HD2 PHE 77 HD1 PHE 77 9.751 0.713 0.513 684 HE1 PHE 77 HE2 PHE 77 4.991 0.020 -0.568 685 HE2 PHE 77 HE1 PHE 77 8.856 -1.566 0.260 686 HZ PHE 77 HZ PHE 77 6.480 -1.911 -0.277 687 H ALA 78 H ALA 78 8.312 6.347 -0.852 688 HA ALA 78 HA ALA 78 5.544 6.725 -1.229 689 HB1 ALA 78 3HB ALA 78 6.964 8.377 -0.079 690 HB2 ALA 78 1HB ALA 78 6.071 9.115 -1.411 691 HB3 ALA 78 2HB ALA 78 7.787 8.737 -1.598 692 H ALA 79 H ALA 79 8.339 7.016 -3.399 693 HA ALA 79 HA ALA 79 7.001 7.734 -5.767 694 HB1 ALA 79 3HB ALA 79 9.581 6.163 -5.422 695 HB2 ALA 79 1HB ALA 79 9.437 7.920 -5.445 696 HB3 ALA 79 2HB ALA 79 9.059 6.990 -6.894 697 H ILE 80 H ILE 80 7.921 4.560 -4.429 698 HA ILE 80 HA ILE 80 7.178 2.976 -6.640 699 HB ILE 80 HB ILE 80 7.559 2.224 -3.707 700 HG12 ILE 80 2HG1 ILE 80 9.597 3.054 -4.741 701 HG13 ILE 80 3HG1 ILE 80 9.756 1.314 -4.556 702 HG21 ILE 80 1HG2 ILE 80 6.131 0.506 -4.739 703 HG22 ILE 80 2HG2 ILE 80 7.740 -0.134 -4.411 704 HG23 ILE 80 3HG2 ILE 80 7.289 0.315 -6.056 705 HD11 ILE 80 3HD1 ILE 80 10.652 2.046 -6.685 706 HD12 ILE 80 1HD1 ILE 80 9.115 2.783 -7.129 707 HD13 ILE 80 2HD1 ILE 80 9.240 1.030 -6.959 708 H LEU 81 H LEU 81 5.403 3.675 -3.593 709 HA LEU 81 HA LEU 81 3.124 2.116 -4.275 710 HB2 LEU 81 2HB LEU 81 3.826 4.024 -2.068 711 HB3 LEU 81 3HB LEU 81 2.111 3.823 -2.380 712 HG LEU 81 HG LEU 81 4.000 1.508 -1.774 713 HD11 LEU 81 1HD1 LEU 81 2.045 2.878 0.096 714 HD12 LEU 81 2HD1 LEU 81 3.805 2.971 0.181 715 HD13 LEU 81 3HD1 LEU 81 2.992 1.432 0.457 716 HD21 LEU 81 3HD2 LEU 81 1.939 0.195 -1.464 717 HD22 LEU 81 1HD2 LEU 81 2.050 0.833 -3.104 718 HD23 LEU 81 2HD2 LEU 81 0.963 1.589 -1.935 719 H ASN 82 H ASN 82 3.958 5.554 -4.716 720 HA ASN 82 HA ASN 82 1.399 6.513 -5.476 721 HB2 ASN 82 2HB ASN 82 3.246 8.039 -4.849 722 HB3 ASN 82 3HB ASN 82 4.158 7.568 -6.280 723 HD21 ASN 82 1HD2 ASN 82 3.639 8.523 -8.246 724 HD22 ASN 82 2HD2 ASN 82 2.460 9.773 -8.417 725 H LYS 83 H LYS 83 4.020 5.028 -7.320 726 HA LYS 83 HA LYS 83 2.804 5.278 -9.897 727 HB2 LYS 83 2HB LYS 83 4.980 3.371 -8.928 728 HB3 LYS 83 3HB LYS 83 4.499 3.564 -10.611 729 HG2 LYS 83 2HG LYS 83 5.693 5.731 -8.863 730 HG3 LYS 83 3HG LYS 83 6.551 4.817 -10.103 731 HD2 LYS 83 2HD LYS 83 5.173 5.797 -11.859 732 HD3 LYS 83 3HD LYS 83 4.139 6.591 -10.668 733 HE2 LYS 83 2HE LYS 83 5.718 8.181 -11.671 734 HE3 LYS 83 3HE LYS 83 6.037 7.989 -9.949 735 HZ1 LYS 83 3HZ LYS 83 7.538 6.660 -12.136 736 HZ2 LYS 83 1HZ LYS 83 7.854 6.501 -10.486 737 HZ3 LYS 83 2HZ LYS 83 8.066 7.992 -11.246 738 H VAL 84 H VAL 84 2.689 2.793 -7.350 739 HA VAL 84 HA VAL 84 1.380 0.738 -8.832 740 HB VAL 84 HB VAL 84 1.534 1.285 -5.825 741 HG11 VAL 84 1HG1 VAL 84 0.718 -1.041 -5.461 742 HG12 VAL 84 2HG1 VAL 84 0.355 -1.169 -7.184 743 HG13 VAL 84 3HG1 VAL 84 -0.509 -0.001 -6.185 744 HG21 VAL 84 3HG2 VAL 84 3.670 0.689 -6.892 745 HG22 VAL 84 1HG2 VAL 84 2.951 -0.778 -7.557 746 HG23 VAL 84 2HG2 VAL 84 3.137 -0.594 -5.810 747 H PHE 85 H PHE 85 0.253 3.399 -6.839 748 HA PHE 85 HA PHE 85 -2.539 2.970 -6.984 749 HB2 PHE 85 2HB PHE 85 -1.003 5.584 -6.631 750 HB3 PHE 85 3HB PHE 85 -2.725 5.387 -6.327 751 HD1 PHE 85 HD1 PHE 85 -2.551 2.605 -4.973 752 HD2 PHE 85 HD2 PHE 85 -0.339 6.226 -4.404 753 HE1 PHE 85 HE1 PHE 85 -2.034 1.938 -2.661 754 HE2 PHE 85 HE2 PHE 85 0.170 5.545 -2.098 755 HZ PHE 85 HZ PHE 85 -0.669 3.403 -1.229 756 H ALA 86 H ALA 86 -0.270 4.632 -9.106 757 HA ALA 86 HA ALA 86 -2.192 5.630 -10.994 758 HB1 ALA 86 3HB ALA 86 0.010 6.677 -10.735 759 HB2 ALA 86 1HB ALA 86 -0.209 6.121 -12.394 760 HB3 ALA 86 2HB ALA 86 0.808 5.201 -11.279 761 H GLU 87 H GLU 87 -0.557 2.551 -10.562 762 HA GLU 87 HA GLU 87 -1.035 1.481 -13.182 763 HB2 GLU 87 2HB GLU 87 -0.611 -0.058 -10.579 764 HB3 GLU 87 3HB GLU 87 -0.508 -0.724 -12.201 765 HG2 GLU 87 2HG GLU 87 1.392 1.199 -10.875 766 HG3 GLU 87 3HG GLU 87 1.699 -0.463 -11.348 767 H LEU 88 H LEU 88 -3.036 1.849 -10.340 768 HA LEU 88 HA LEU 88 -4.870 -0.321 -11.194 769 HB2 LEU 88 2HB LEU 88 -4.414 0.766 -8.389 770 HB3 LEU 88 3HB LEU 88 -5.564 -0.489 -8.817 771 HG LEU 88 HG LEU 88 -2.530 -0.706 -8.980 772 HD11 LEU 88 1HD1 LEU 88 -2.742 -2.376 -7.201 773 HD12 LEU 88 2HD1 LEU 88 -4.489 -2.125 -7.146 774 HD13 LEU 88 3HD1 LEU 88 -3.393 -0.820 -6.687 775 HD21 LEU 88 3HD2 LEU 88 -4.609 -2.793 -9.718 776 HD22 LEU 88 1HD2 LEU 88 -2.866 -3.064 -9.620 777 HD23 LEU 88 2HD2 LEU 88 -3.517 -1.960 -10.828 778 H GLY 89 H GLY 89 -4.583 3.072 -10.565 779 HA2 GLY 89 2HA GLY 89 -6.098 4.532 -11.713 780 HA3 GLY 89 3HA GLY 89 -7.418 3.430 -11.370 781 H TYR 90 H TYR 90 -5.433 3.884 -8.620 782 HA TYR 90 HA TYR 90 -7.309 5.549 -7.220 783 HB2 TYR 90 2HB TYR 90 -4.428 4.876 -6.474 784 HB3 TYR 90 3HB TYR 90 -5.617 5.593 -5.400 785 HD1 TYR 90 HD2 TYR 90 -7.518 4.200 -4.541 786 HD2 TYR 90 HD1 TYR 90 -4.375 2.485 -6.877 787 HE1 TYR 90 HE2 TYR 90 -8.158 1.952 -3.769 788 HE2 TYR 90 HE1 TYR 90 -5.018 0.247 -6.099 789 HH TYR 90 HH TYR 90 -7.926 -0.354 -4.410 790 H ASN 91 H ASN 91 -7.421 7.711 -7.309 791 HA ASN 91 HA ASN 91 -5.691 9.209 -9.096 792 HB2 ASN 91 2HB ASN 91 -8.084 10.135 -7.437 793 HB3 ASN 91 3HB ASN 91 -7.311 11.054 -8.726 794 HD21 ASN 91 1HD2 ASN 91 -9.448 8.389 -7.991 795 HD22 ASN 91 2HD2 ASN 91 -9.993 8.122 -9.604 796 H ASP 92 H ASP 92 -4.768 11.325 -8.464 797 HA ASP 92 HA ASP 92 -3.105 11.422 -6.275 798 HB2 ASP 92 2HB ASP 92 -2.747 12.932 -8.100 799 HB3 ASP 92 3HB ASP 92 -4.354 13.628 -7.953 800 H SER 93 H SER 93 -6.371 12.762 -6.558 801 HA SER 93 HA SER 93 -6.587 13.955 -4.000 802 HB2 SER 93 2HB SER 93 -8.027 14.562 -5.924 803 HB3 SER 93 3HB SER 93 -8.786 12.973 -5.875 804 HG SER 93 HG SER 93 -8.876 14.306 -3.472 805 H ASN 94 H ASN 94 -6.442 10.683 -4.777 806 HA ASN 94 HA ASN 94 -8.025 9.814 -2.441 807 HB2 ASN 94 2HB ASN 94 -6.947 8.141 -4.748 808 HB3 ASN 94 3HB ASN 94 -7.943 7.550 -3.422 809 HD21 ASN 94 1HD2 ASN 94 -9.749 9.902 -3.448 810 HD22 ASN 94 2HD2 ASN 94 -10.709 9.730 -4.874 811 H VAL 95 H VAL 95 -4.845 10.488 -3.350 812 HA VAL 95 HA VAL 95 -3.667 8.461 -1.526 813 HB VAL 95 HB VAL 95 -2.302 10.013 -3.799 814 HG11 VAL 95 1HG1 VAL 95 -0.370 8.522 -3.444 815 HG12 VAL 95 2HG1 VAL 95 -1.185 7.758 -2.080 816 HG13 VAL 95 3HG1 VAL 95 -0.713 9.455 -1.985 817 HG21 VAL 95 3HG2 VAL 95 -3.919 8.357 -4.654 818 HG22 VAL 95 1HG2 VAL 95 -3.136 7.088 -3.713 819 HG23 VAL 95 2HG2 VAL 95 -2.264 7.879 -5.029 820 H THR 96 H THR 96 -3.353 9.354 0.449 821 HA THR 96 HA THR 96 -2.036 12.012 0.639 822 HB THR 96 HB THR 96 -3.784 10.777 2.817 823 HG1 THR 96 HG1 THR 96 -5.343 11.232 1.452 824 HG21 THR 96 3HG2 THR 96 -3.863 13.068 3.707 825 HG22 THR 96 1HG2 THR 96 -2.848 13.639 2.383 826 HG23 THR 96 2HG2 THR 96 -2.191 12.520 3.579 827 H TRP 97 H TRP 97 0.105 11.337 0.762 828 HA TRP 97 HA TRP 97 0.973 9.124 2.384 829 HB2 TRP 97 2HB TRP 97 2.238 10.970 0.435 830 HB3 TRP 97 3HB TRP 97 3.293 10.658 1.805 831 HD1 TRP 97 HD1 TRP 97 2.344 9.155 -1.458 832 HE1 TRP 97 HE1 TRP 97 3.279 6.765 -1.645 833 HE3 TRP 97 HE3 TRP 97 3.643 8.387 3.442 834 HZ2 TRP 97 HZ2 TRP 97 4.417 4.817 0.052 835 HZ3 TRP 97 HZ3 TRP 97 4.643 6.229 4.074 836 HH2 TRP 97 HH2 TRP 97 5.030 4.480 2.415 837 H ASP 98 H ASP 98 2.281 9.197 4.268 838 HA ASP 98 HA ASP 98 2.714 11.640 5.750 839 HB2 ASP 98 2HB ASP 98 0.262 11.169 6.153 840 HB3 ASP 98 3HB ASP 98 0.704 9.625 6.868 841 H GLY 99 H GLY 99 4.825 10.761 5.450 842 HA2 GLY 99 2HA GLY 99 6.754 10.031 6.433 843 HA3 GLY 99 3HA GLY 99 5.806 9.533 7.824 844 H ASP 100 H ASP 100 5.363 7.394 8.109 845 HA ASP 100 HA ASP 100 6.566 5.419 6.297 846 HB2 ASP 100 2HB ASP 100 5.358 5.180 9.088 847 HB3 ASP 100 3HB ASP 100 5.886 3.778 8.164 848 H THR 101 H THR 101 3.466 6.765 6.893 849 HA THR 101 HA THR 101 2.041 4.337 5.952 850 HB THR 101 HB THR 101 0.886 6.576 7.689 851 HG1 THR 101 HG1 THR 101 2.060 5.652 9.180 852 HG21 THR 101 3HG2 THR 101 -0.799 5.269 6.413 853 HG22 THR 101 1HG2 THR 101 -0.911 4.954 8.146 854 HG23 THR 101 2HG2 THR 101 -0.145 3.772 7.084 855 H VAL 102 H VAL 102 1.051 4.583 3.968 856 HA VAL 102 HA VAL 102 0.215 7.303 3.138 857 HB VAL 102 HB VAL 102 1.440 6.039 1.398 858 HG11 VAL 102 1HG1 VAL 102 -0.840 4.057 1.428 859 HG12 VAL 102 2HG1 VAL 102 0.816 3.748 1.950 860 HG13 VAL 102 3HG1 VAL 102 0.479 4.099 0.254 861 HG21 VAL 102 3HG2 VAL 102 -0.130 6.437 -0.469 862 HG22 VAL 102 1HG2 VAL 102 -0.202 7.740 0.721 863 HG23 VAL 102 2HG2 VAL 102 -1.473 6.517 0.674 864 H THR 103 H THR 103 -1.845 7.833 3.222 865 HA THR 103 HA THR 103 -3.871 5.864 4.036 866 HB THR 103 HB THR 103 -3.944 8.899 4.374 867 HG1 THR 103 HG1 THR 103 -2.228 7.476 5.535 868 HG21 THR 103 3HG2 THR 103 -5.523 6.668 5.723 869 HG22 THR 103 1HG2 THR 103 -6.148 7.780 4.501 870 HG23 THR 103 2HG2 THR 103 -5.656 8.391 6.079 871 H VAL 104 H VAL 104 -4.768 5.184 2.197 872 HA VAL 104 HA VAL 104 -5.327 6.955 -0.050 873 HB VAL 104 HB VAL 104 -5.749 3.925 0.202 874 HG11 VAL 104 1HG1 VAL 104 -5.656 5.708 -2.261 875 HG12 VAL 104 2HG1 VAL 104 -7.094 4.942 -1.581 876 HG13 VAL 104 3HG1 VAL 104 -5.809 3.949 -2.270 877 HG21 VAL 104 3HG2 VAL 104 -3.360 5.388 -0.988 878 HG22 VAL 104 1HG2 VAL 104 -3.629 3.642 -1.026 879 HG23 VAL 104 2HG2 VAL 104 -3.366 4.463 0.513 880 H GLU 105 H GLU 105 -7.208 8.035 0.155 881 HA GLU 105 HA GLU 105 -9.600 6.745 1.349 882 HB2 GLU 105 2HB GLU 105 -8.775 9.692 1.466 883 HB3 GLU 105 3HB GLU 105 -10.234 8.999 2.171 884 HG2 GLU 105 2HG GLU 105 -8.868 7.671 3.726 885 HG3 GLU 105 3HG GLU 105 -7.401 8.319 2.997 886 H GLY 106 H GLY 106 -11.015 6.390 -0.307 887 HA2 GLY 106 2HA GLY 106 -11.593 8.399 -2.286 888 HA3 GLY 106 3HA GLY 106 -10.622 7.073 -2.921 889 H GLN 107 H GLN 107 -12.477 6.938 -4.310 890 HA GLN 107 HA GLN 107 -14.851 5.576 -3.213 891 HB2 GLN 107 2HB GLN 107 -15.925 6.204 -5.377 892 HB3 GLN 107 3HB GLN 107 -15.316 7.611 -4.518 893 HG2 GLN 107 2HG GLN 107 -13.275 7.539 -6.015 894 HG3 GLN 107 3HG GLN 107 -14.081 6.283 -6.951 895 HE21 GLN 107 1HE2 GLN 107 -13.197 8.938 -7.822 896 HE22 GLN 107 2HE2 GLN 107 -14.612 9.737 -8.416 897 H LEU 108 H LEU 108 -15.458 3.597 -3.986 898 HA LEU 108 HA LEU 108 -13.544 1.912 -5.330 899 HB2 LEU 108 2HB LEU 108 -16.374 1.424 -4.334 900 HB3 LEU 108 3HB LEU 108 -15.436 0.187 -5.161 901 HG LEU 108 HG LEU 108 -14.722 1.490 -2.509 902 HD11 LEU 108 1HD1 LEU 108 -15.101 -0.728 -1.550 903 HD12 LEU 108 2HD1 LEU 108 -15.603 -1.341 -3.125 904 HD13 LEU 108 3HD1 LEU 108 -16.562 -0.104 -2.313 905 HD21 LEU 108 3HD2 LEU 108 -12.846 -0.096 -2.427 906 HD22 LEU 108 1HD2 LEU 108 -12.695 1.020 -3.781 907 HD23 LEU 108 2HD2 LEU 108 -13.224 -0.640 -4.064 908 H GLU 109 H GLU 109 -13.977 0.756 -7.201 909 HA GLU 109 HA GLU 109 -15.230 2.111 -9.406 910 HB2 GLU 109 2HB GLU 109 -14.394 0.009 -10.649 911 HB3 GLU 109 3HB GLU 109 -13.161 0.986 -9.857 912 HG2 GLU 109 2HG GLU 109 -13.178 -0.599 -7.929 913 HG3 GLU 109 3HG GLU 109 -14.355 -1.585 -8.783 914 H GLY 110 H GLY 110 -17.434 2.133 -8.502 915 HA2 GLY 110 2HA GLY 110 -18.930 -0.434 -8.804 916 HA3 GLY 110 3HA GLY 110 -19.251 0.705 -7.504 917 H VAL 111 H VAL 111 -19.521 3.086 -8.453 918 HA VAL 111 HA VAL 111 -21.914 3.085 -10.012 919 HB VAL 111 HB VAL 111 -20.073 5.451 -9.399 920 HG11 VAL 111 1HG1 VAL 111 -22.049 6.884 -9.766 921 HG12 VAL 111 2HG1 VAL 111 -23.004 5.477 -10.231 922 HG13 VAL 111 3HG1 VAL 111 -21.636 5.983 -11.224 923 HG21 VAL 111 3HG2 VAL 111 -21.536 5.930 -7.482 924 HG22 VAL 111 1HG2 VAL 111 -20.791 4.338 -7.333 925 HG23 VAL 111 2HG2 VAL 111 -22.481 4.477 -7.823 926 H ASP 112 H ASP 112 -18.559 3.991 -10.635 927 HA ASP 112 HA ASP 112 -18.886 4.349 -13.492 928 HB2 ASP 112 2HB ASP 112 -17.191 5.642 -12.082 929 HB3 ASP 112 3HB ASP 112 -16.275 4.146 -11.905 930 H LEU 113 H LEU 113 -18.981 2.704 -14.836 931 HA LEU 113 HA LEU 113 -18.436 -0.021 -13.955 932 HB2 LEU 113 2HB LEU 113 -19.625 0.960 -16.575 933 HB3 LEU 113 3HB LEU 113 -19.641 -0.695 -15.983 934 HG LEU 113 HG LEU 113 -21.121 1.648 -14.717 935 HD11 LEU 113 1HD1 LEU 113 -22.124 0.979 -16.846 936 HD12 LEU 113 2HD1 LEU 113 -23.173 0.563 -15.496 937 HD13 LEU 113 3HD1 LEU 113 -22.228 -0.697 -16.294 938 HD21 LEU 113 3HD2 LEU 113 -20.440 0.049 -13.001 939 HD22 LEU 113 1HD2 LEU 113 -21.149 -1.283 -13.920 940 HD23 LEU 113 2HD2 LEU 113 -22.181 -0.019 -13.248 941 H GLU 114 H GLU 114 -16.740 2.375 -15.645 942 HA GLU 114 HA GLU 114 -15.350 0.608 -17.504 943 HB2 GLU 114 2HB GLU 114 -14.891 3.572 -16.956 944 HB3 GLU 114 3HB GLU 114 -14.271 2.651 -18.320 945 HG2 GLU 114 2HG GLU 114 -17.162 3.357 -17.767 946 HG3 GLU 114 3HG GLU 114 -16.139 4.015 -19.040 947 H HIS 115 H HIS 115 -14.778 -0.553 -15.327 948 HA HIS 115 HA HIS 115 -12.376 0.179 -13.996 949 HB2 HIS 115 2HB HIS 115 -13.820 -1.637 -13.142 950 HB3 HIS 115 3HB HIS 115 -13.569 -2.571 -14.612 951 HD1 HIS 115 HD1 HIS 115 -12.570 -4.581 -13.323 952 HD2 HIS 115 HD2 HIS 115 -10.491 -1.045 -12.700 953 HE1 HIS 115 HE1 HIS 115 -10.479 -5.230 -12.097 954 HE2 HIS 115 HE2 HIS 115 -9.380 -3.052 -11.534 955 H HIS 116 H HIS 116 -10.283 0.018 -14.696 956 HA HIS 116 HA HIS 116 -9.735 -0.105 -17.456 957 HB2 HIS 116 2HB HIS 116 -7.916 -0.026 -15.036 958 HB3 HIS 116 3HB HIS 116 -7.269 -0.105 -16.670 959 HD1 HIS 116 HD1 HIS 116 -8.465 2.264 -14.158 960 HD2 HIS 116 HD2 HIS 116 -7.992 2.222 -18.288 961 HE1 HIS 116 HE1 HIS 116 -8.506 4.671 -14.864 962 HE2 HIS 116 HE2 HIS 116 -8.076 4.618 -17.339 963 H HIS 117 H HIS 117 -10.358 -1.988 -18.334 964 HA HIS 117 HA HIS 117 -9.340 -4.594 -17.574 965 HB2 HIS 117 2HB HIS 117 -10.784 -3.662 -20.103 966 HB3 HIS 117 3HB HIS 117 -10.463 -5.345 -19.686 967 HD1 HIS 117 HD1 HIS 117 -12.971 -2.710 -19.265 968 HD2 HIS 117 HD2 HIS 117 -11.888 -6.177 -17.238 969 HE1 HIS 117 HE1 HIS 117 -14.935 -3.283 -17.803 970 HE2 HIS 117 HE2 HIS 117 -14.302 -5.449 -16.696 971 H HIS 118 H HIS 118 -7.727 -5.762 -18.753 972 HA HIS 118 HA HIS 118 -5.633 -4.115 -19.893 973 HB2 HIS 118 2HB HIS 118 -4.258 -6.117 -19.891 974 HB3 HIS 118 3HB HIS 118 -5.115 -6.029 -18.365 975 HD1 HIS 118 HD1 HIS 118 -6.906 -7.853 -17.908 976 HD2 HIS 118 HD2 HIS 118 -4.835 -8.349 -21.474 977 HE1 HIS 118 HE1 HIS 118 -7.379 -10.201 -18.636 978 HE2 HIS 118 HE2 HIS 118 -6.298 -10.395 -20.894 979 H HIS 119 H HIS 119 -4.573 -4.767 -21.972 980 HA HIS 119 HA HIS 119 -6.273 -4.088 -24.037 981 HB2 HIS 119 2HB HIS 119 -3.855 -3.676 -24.171 982 HB3 HIS 119 3HB HIS 119 -3.529 -5.403 -24.234 983 HD1 HIS 119 HD1 HIS 119 -4.642 -2.529 -26.370 984 HD2 HIS 119 HD2 HIS 119 -3.973 -6.608 -26.770 985 HE1 HIS 119 HE1 HIS 119 -4.626 -2.976 -28.838 986 HE2 HIS 119 HE2 HIS 119 -4.419 -5.469 -29.038 987 H HIS 120 H HIS 120 -7.777 -5.144 -25.049 988 HA HIS 120 HA HIS 120 -7.886 -8.050 -25.279 989 HB2 HIS 120 2HB HIS 120 -9.781 -5.865 -26.261 990 HB3 HIS 120 3HB HIS 120 -10.068 -7.589 -26.485 991 HD1 HIS 120 HD1 HIS 120 -11.245 -8.776 -24.628 992 HD2 HIS 120 HD2 HIS 120 -9.773 -5.075 -23.438 993 HE1 HIS 120 HE1 HIS 120 -12.144 -8.400 -22.317 994 HE2 HIS 120 HE2 HIS 120 -11.405 -6.074 -21.714 Start of MODEL 14 1 H1 MET 1 1H MET 1 21.559 -1.330 1.017 2 H2 MET 1 2H MET 1 21.973 -1.069 -0.596 3 H3 MET 1 3H MET 1 22.788 -2.243 0.301 4 HA MET 1 HA MET 1 21.221 -3.239 -1.207 5 HB2 MET 1 2HB MET 1 20.440 -3.428 1.734 6 HB3 MET 1 3HB MET 1 19.913 -4.565 0.502 7 HG2 MET 1 2HG MET 1 22.240 -5.254 0.130 8 HG3 MET 1 3HG MET 1 22.780 -4.093 1.348 9 HE1 MET 1 3HE MET 1 23.309 -7.508 3.214 10 HE2 MET 1 1HE MET 1 24.048 -5.963 2.799 11 HE3 MET 1 2HE MET 1 23.642 -7.118 1.527 12 H SER 2 H SER 2 19.709 -2.406 -2.525 13 HA SER 2 HA SER 2 17.835 -0.372 -1.686 14 HB2 SER 2 2HB SER 2 18.886 -0.232 -3.900 15 HB3 SER 2 3HB SER 2 18.189 -1.781 -4.367 16 HG SER 2 HG SER 2 16.281 -0.872 -4.640 17 H GLY 3 H GLY 3 17.550 -3.709 -2.958 18 HA2 GLY 3 2HA GLY 3 14.678 -3.855 -2.523 19 HA3 GLY 3 3HA GLY 3 15.727 -5.128 -3.130 20 H LYS 4 H LYS 4 14.234 -3.767 -0.347 21 HA LYS 4 HA LYS 4 15.518 -5.732 1.462 22 HB2 LYS 4 2HB LYS 4 14.455 -2.935 2.009 23 HB3 LYS 4 3HB LYS 4 14.866 -4.057 3.295 24 HG2 LYS 4 2HG LYS 4 16.910 -3.224 1.215 25 HG3 LYS 4 3HG LYS 4 16.586 -2.245 2.641 26 HD2 LYS 4 2HD LYS 4 18.507 -3.566 3.162 27 HD3 LYS 4 3HD LYS 4 17.170 -4.269 4.064 28 HE2 LYS 4 2HE LYS 4 17.001 -6.084 2.399 29 HE3 LYS 4 3HE LYS 4 18.303 -5.354 1.460 30 HZ1 LYS 4 3HZ LYS 4 19.162 -7.137 2.777 31 HZ2 LYS 4 1HZ LYS 4 18.517 -6.482 4.196 32 HZ3 LYS 4 2HZ LYS 4 19.766 -5.680 3.389 33 H LYS 5 H LYS 5 14.133 -6.227 3.410 34 HA LYS 5 HA LYS 5 11.512 -7.123 2.513 35 HB2 LYS 5 2HB LYS 5 13.158 -8.658 3.673 36 HB3 LYS 5 3HB LYS 5 12.937 -7.721 5.140 37 HG2 LYS 5 2HG LYS 5 10.497 -8.900 3.819 38 HG3 LYS 5 3HG LYS 5 11.579 -9.990 4.677 39 HD2 LYS 5 2HD LYS 5 10.162 -7.573 5.881 40 HD3 LYS 5 3HD LYS 5 9.710 -9.266 6.111 41 HE2 LYS 5 2HE LYS 5 11.975 -9.663 7.148 42 HE3 LYS 5 3HE LYS 5 12.269 -7.924 7.053 43 HZ1 LYS 5 3HZ LYS 5 10.317 -7.586 8.466 44 HZ2 LYS 5 1HZ LYS 5 11.480 -8.544 9.230 45 HZ3 LYS 5 2HZ LYS 5 10.095 -9.252 8.577 46 H VAL 6 H VAL 6 10.210 -5.463 2.527 47 HA VAL 6 HA VAL 6 9.877 -3.678 4.850 48 HB VAL 6 HB VAL 6 9.937 -2.247 2.963 49 HG11 VAL 6 1HG1 VAL 6 8.953 -2.718 0.742 50 HG12 VAL 6 2HG1 VAL 6 8.340 -4.267 1.330 51 HG13 VAL 6 3HG1 VAL 6 10.078 -3.995 1.215 52 HG21 VAL 6 3HG2 VAL 6 6.984 -2.948 3.101 53 HG22 VAL 6 1HG2 VAL 6 7.672 -1.453 2.455 54 HG23 VAL 6 2HG2 VAL 6 7.833 -1.833 4.171 55 H GLU 7 H GLU 7 8.010 -3.767 6.048 56 HA GLU 7 HA GLU 7 6.030 -5.855 5.346 57 HB2 GLU 7 2HB GLU 7 6.937 -4.824 8.054 58 HB3 GLU 7 3HB GLU 7 5.447 -5.738 7.849 59 HG2 GLU 7 2HG GLU 7 6.750 -7.622 6.884 60 HG3 GLU 7 3HG GLU 7 8.234 -6.710 7.146 61 H VAL 8 H VAL 8 4.279 -5.131 4.580 62 HA VAL 8 HA VAL 8 3.529 -2.293 4.677 63 HB VAL 8 HB VAL 8 2.749 -4.551 2.759 64 HG11 VAL 8 1HG1 VAL 8 0.941 -2.879 2.866 65 HG12 VAL 8 2HG1 VAL 8 1.754 -2.837 1.300 66 HG13 VAL 8 3HG1 VAL 8 2.099 -1.596 2.504 67 HG21 VAL 8 3HG2 VAL 8 4.214 -3.452 1.119 68 HG22 VAL 8 1HG2 VAL 8 5.126 -3.895 2.565 69 HG23 VAL 8 2HG2 VAL 8 4.644 -2.215 2.303 70 H GLN 9 H GLN 9 2.022 -1.873 6.229 71 HA GLN 9 HA GLN 9 0.185 -3.997 7.142 72 HB2 GLN 9 2HB GLN 9 0.721 -1.273 8.414 73 HB3 GLN 9 3HB GLN 9 -0.136 -2.630 9.144 74 HG2 GLN 9 2HG GLN 9 1.982 -3.931 9.156 75 HG3 GLN 9 3HG GLN 9 2.819 -2.549 8.451 76 HE21 GLN 9 1HE2 GLN 9 4.239 -2.373 10.228 77 HE22 GLN 9 2HE2 GLN 9 3.713 -1.791 11.769 78 H VAL 10 H VAL 10 -1.535 -4.004 5.814 79 HA VAL 10 HA VAL 10 -2.651 -1.525 4.709 80 HB VAL 10 HB VAL 10 -3.274 -4.456 4.090 81 HG11 VAL 10 1HG1 VAL 10 -4.513 -3.622 2.116 82 HG12 VAL 10 2HG1 VAL 10 -4.251 -1.962 2.654 83 HG13 VAL 10 3HG1 VAL 10 -5.238 -3.056 3.624 84 HG21 VAL 10 3HG2 VAL 10 -0.997 -3.810 3.382 85 HG22 VAL 10 1HG2 VAL 10 -1.655 -2.440 2.478 86 HG23 VAL 10 2HG2 VAL 10 -2.036 -4.092 1.983 87 H LYS 11 H LYS 11 -3.984 -0.548 6.108 88 HA LYS 11 HA LYS 11 -5.951 -2.050 7.737 89 HB2 LYS 11 2HB LYS 11 -4.497 -0.555 9.037 90 HB3 LYS 11 3HB LYS 11 -4.795 0.775 7.923 91 HG2 LYS 11 2HG LYS 11 -7.253 0.666 8.672 92 HG3 LYS 11 3HG LYS 11 -6.712 -0.403 9.968 93 HD2 LYS 11 2HD LYS 11 -5.638 2.408 9.499 94 HD3 LYS 11 3HD LYS 11 -6.941 2.027 10.623 95 HE2 LYS 11 2HE LYS 11 -4.173 0.796 10.839 96 HE3 LYS 11 3HE LYS 11 -4.639 2.288 11.656 97 HZ1 LYS 11 3HZ LYS 11 -6.413 1.062 12.770 98 HZ2 LYS 11 1HZ LYS 11 -4.896 0.416 13.125 99 HZ3 LYS 11 2HZ LYS 11 -5.909 -0.369 12.029 100 H ILE 12 H ILE 12 -7.757 -2.298 6.405 101 HA ILE 12 HA ILE 12 -8.631 0.029 4.807 102 HB ILE 12 HB ILE 12 -7.903 -1.670 3.283 103 HG12 ILE 12 2HG1 ILE 12 -10.953 -1.641 3.365 104 HG13 ILE 12 3HG1 ILE 12 -9.940 -0.380 2.672 105 HG21 ILE 12 1HG2 ILE 12 -8.822 -3.953 3.174 106 HG22 ILE 12 2HG2 ILE 12 -9.761 -3.650 4.637 107 HG23 ILE 12 3HG2 ILE 12 -7.999 -3.661 4.710 108 HD11 ILE 12 3HD1 ILE 12 -10.860 -1.748 0.943 109 HD12 ILE 12 1HD1 ILE 12 -10.205 -3.210 1.682 110 HD13 ILE 12 2HD1 ILE 12 -9.117 -1.991 1.014 111 H THR 13 H THR 13 -10.419 0.945 5.484 112 HA THR 13 HA THR 13 -12.327 -0.513 7.171 113 HB THR 13 HB THR 13 -12.209 2.489 6.612 114 HG1 THR 13 HG1 THR 13 -11.191 2.485 8.766 115 HG21 THR 13 3HG2 THR 13 -13.535 2.678 8.690 116 HG22 THR 13 1HG2 THR 13 -13.549 0.921 8.857 117 HG23 THR 13 2HG2 THR 13 -14.388 1.686 7.505 118 H CYS 14 H CYS 14 -13.680 -1.612 5.874 119 HA CYS 14 HA CYS 14 -15.148 -0.254 3.687 120 HB2 CYS 14 2HB CYS 14 -13.728 -2.054 2.811 121 HB3 CYS 14 3HB CYS 14 -14.392 -3.188 3.982 122 H ASN 15 H ASN 15 -17.269 -0.076 4.015 123 HA ASN 15 HA ASN 15 -19.327 -0.083 4.928 124 HB2 ASN 15 2HB ASN 15 -18.665 -3.013 5.439 125 HB3 ASN 15 3HB ASN 15 -20.273 -2.325 5.641 126 HD21 ASN 15 1HD2 ASN 15 -19.328 -4.424 3.807 127 HD22 ASN 15 2HD2 ASN 15 -19.764 -3.885 2.227 128 H GLY 16 H GLY 16 -17.030 0.637 6.599 129 HA2 GLY 16 2HA GLY 16 -16.782 1.514 8.712 130 HA3 GLY 16 3HA GLY 16 -18.348 0.862 9.161 131 H LYS 17 H LYS 17 -16.324 -1.502 7.806 132 HA LYS 17 HA LYS 17 -15.480 -2.563 10.446 133 HB2 LYS 17 2HB LYS 17 -15.953 -3.972 7.774 134 HB3 LYS 17 3HB LYS 17 -15.219 -4.750 9.175 135 HG2 LYS 17 2HG LYS 17 -17.329 -4.360 10.462 136 HG3 LYS 17 3HG LYS 17 -18.053 -3.667 9.006 137 HD2 LYS 17 2HD LYS 17 -18.708 -6.042 9.330 138 HD3 LYS 17 3HD LYS 17 -17.823 -5.797 7.824 139 HE2 LYS 17 2HE LYS 17 -17.056 -7.844 8.905 140 HE3 LYS 17 3HE LYS 17 -15.753 -6.651 8.939 141 HZ1 LYS 17 3HZ LYS 17 -16.321 -6.168 11.237 142 HZ2 LYS 17 1HZ LYS 17 -15.968 -7.811 11.041 143 HZ3 LYS 17 2HZ LYS 17 -17.572 -7.300 11.199 144 H THR 18 H THR 18 -13.310 -2.910 10.789 145 HA THR 18 HA THR 18 -11.458 -1.796 8.754 146 HB THR 18 HB THR 18 -11.118 -1.940 11.787 147 HG1 THR 18 HG1 THR 18 -11.634 0.324 10.127 148 HG21 THR 18 3HG2 THR 18 -9.223 -0.373 11.418 149 HG22 THR 18 1HG2 THR 18 -9.421 -0.551 9.676 150 HG23 THR 18 2HG2 THR 18 -8.929 -1.938 10.656 151 H TYR 19 H TYR 19 -10.226 -3.255 7.787 152 HA TYR 19 HA TYR 19 -9.486 -5.815 9.084 153 HB2 TYR 19 2HB TYR 19 -9.491 -5.228 6.078 154 HB3 TYR 19 3HB TYR 19 -9.345 -6.795 6.859 155 HD1 TYR 19 HD2 TYR 19 -11.701 -4.140 5.809 156 HD2 TYR 19 HD1 TYR 19 -11.366 -7.974 7.684 157 HE1 TYR 19 HE2 TYR 19 -14.127 -4.469 5.564 158 HE2 TYR 19 HE1 TYR 19 -13.792 -8.299 7.430 159 HH TYR 19 HH TYR 19 -15.723 -6.391 5.437 160 H GLU 20 H GLU 20 -7.480 -5.291 9.990 161 HA GLU 20 HA GLU 20 -5.458 -4.066 8.198 162 HB2 GLU 20 2HB GLU 20 -4.327 -3.121 10.137 163 HB3 GLU 20 3HB GLU 20 -5.989 -2.558 10.053 164 HG2 GLU 20 2HG GLU 20 -6.600 -4.165 11.846 165 HG3 GLU 20 3HG GLU 20 -4.912 -4.667 11.947 166 H ARG 21 H ARG 21 -3.591 -5.085 7.874 167 HA ARG 21 HA ARG 21 -2.677 -7.297 9.512 168 HB2 ARG 21 2HB ARG 21 -4.317 -8.481 8.128 169 HB3 ARG 21 3HB ARG 21 -3.664 -7.765 6.657 170 HG2 ARG 21 2HG ARG 21 -1.553 -9.017 6.987 171 HG3 ARG 21 3HG ARG 21 -2.208 -9.733 8.460 172 HD2 ARG 21 2HD ARG 21 -3.882 -10.940 7.209 173 HD3 ARG 21 3HD ARG 21 -3.475 -10.066 5.726 174 HE ARG 21 HE ARG 21 -1.292 -11.578 6.891 175 HH11 ARG 21 1HH1 ARG 21 -3.999 -11.728 4.634 176 HH12 ARG 21 2HH1 ARG 21 -3.325 -13.049 3.732 177 HH21 ARG 21 1HH2 ARG 21 -0.391 -13.240 5.661 178 HH22 ARG 21 2HH2 ARG 21 -1.268 -13.907 4.319 179 H THR 22 H THR 22 -0.542 -7.658 9.280 180 HA THR 22 HA THR 22 1.053 -5.820 7.671 181 HB THR 22 HB THR 22 1.863 -7.811 9.844 182 HG1 THR 22 HG1 THR 22 2.122 -5.371 10.746 183 HG21 THR 22 3HG2 THR 22 3.408 -5.482 8.653 184 HG22 THR 22 1HG2 THR 22 3.750 -7.193 8.371 185 HG23 THR 22 2HG2 THR 22 3.944 -6.507 9.984 186 H TYR 23 H TYR 23 1.777 -6.489 5.724 187 HA TYR 23 HA TYR 23 2.045 -9.365 5.078 188 HB2 TYR 23 2HB TYR 23 1.835 -6.933 3.234 189 HB3 TYR 23 3HB TYR 23 1.991 -8.600 2.690 190 HD1 TYR 23 HD1 TYR 23 -0.294 -6.157 4.296 191 HD2 TYR 23 HD2 TYR 23 0.066 -10.114 2.711 192 HE1 TYR 23 HE1 TYR 23 -2.734 -6.391 4.339 193 HE2 TYR 23 HE2 TYR 23 -2.384 -10.349 2.760 194 HH TYR 23 HH TYR 23 -4.479 -7.709 3.285 195 H GLN 24 H GLN 24 4.003 -10.211 4.574 196 HA GLN 24 HA GLN 24 6.399 -8.504 4.892 197 HB2 GLN 24 2HB GLN 24 6.077 -11.545 4.884 198 HB3 GLN 24 3HB GLN 24 7.640 -10.741 4.926 199 HG2 GLN 24 2HG GLN 24 7.076 -11.454 7.162 200 HG3 GLN 24 3HG GLN 24 7.029 -9.699 7.101 201 HE21 GLN 24 1HE2 GLN 24 5.066 -8.655 7.497 202 HE22 GLN 24 2HE2 GLN 24 3.641 -9.480 8.014 203 H LEU 25 H LEU 25 7.095 -7.599 3.030 204 HA LEU 25 HA LEU 25 7.074 -9.161 0.501 205 HB2 LEU 25 2HB LEU 25 6.744 -6.151 0.882 206 HB3 LEU 25 3HB LEU 25 6.966 -6.926 -0.679 207 HG LEU 25 HG LEU 25 4.579 -7.271 1.177 208 HD11 LEU 25 1HD1 LEU 25 4.593 -5.121 0.021 209 HD12 LEU 25 2HD1 LEU 25 3.302 -6.151 -0.590 210 HD13 LEU 25 3HD1 LEU 25 4.776 -5.931 -1.537 211 HD21 LEU 25 3HD2 LEU 25 3.573 -8.650 -0.611 212 HD22 LEU 25 1HD2 LEU 25 5.026 -9.395 0.052 213 HD23 LEU 25 2HD2 LEU 25 5.086 -8.589 -1.518 214 H TYR 26 H TYR 26 9.100 -9.836 0.148 215 HA TYR 26 HA TYR 26 11.368 -7.946 0.450 216 HB2 TYR 26 2HB TYR 26 11.667 -10.065 1.713 217 HB3 TYR 26 3HB TYR 26 11.399 -11.001 0.247 218 HD1 TYR 26 HD1 TYR 26 13.702 -8.457 1.753 219 HD2 TYR 26 HD2 TYR 26 13.280 -11.551 -1.166 220 HE1 TYR 26 HE1 TYR 26 16.097 -8.302 1.253 221 HE2 TYR 26 HE2 TYR 26 15.683 -11.397 -1.660 222 HH TYR 26 HH TYR 26 17.497 -9.648 -1.472 223 H ALA 27 H ALA 27 12.536 -7.398 -1.344 224 HA ALA 27 HA ALA 27 12.023 -8.720 -3.941 225 HB1 ALA 27 3HB ALA 27 11.923 -6.507 -5.047 226 HB2 ALA 27 1HB ALA 27 12.022 -5.712 -3.474 227 HB3 ALA 27 2HB ALA 27 10.613 -6.694 -3.879 228 H VAL 28 H VAL 28 13.726 -8.047 -5.571 229 HA VAL 28 HA VAL 28 16.372 -7.556 -4.349 230 HB VAL 28 HB VAL 28 15.786 -8.180 -7.285 231 HG11 VAL 28 1HG1 VAL 28 18.177 -8.816 -7.392 232 HG12 VAL 28 2HG1 VAL 28 18.380 -8.370 -5.696 233 HG13 VAL 28 3HG1 VAL 28 17.985 -7.134 -6.893 234 HG21 VAL 28 3HG2 VAL 28 16.388 -10.524 -6.836 235 HG22 VAL 28 1HG2 VAL 28 14.965 -10.050 -5.903 236 HG23 VAL 28 2HG2 VAL 28 16.540 -10.170 -5.113 237 H ARG 29 H ARG 29 14.145 -6.305 -6.825 238 HA ARG 29 HA ARG 29 15.514 -3.676 -6.777 239 HB2 ARG 29 2HB ARG 29 13.897 -4.914 -9.058 240 HB3 ARG 29 3HB ARG 29 14.649 -3.322 -9.081 241 HG2 ARG 29 2HG ARG 29 16.879 -4.380 -8.884 242 HG3 ARG 29 3HG ARG 29 16.118 -5.969 -8.869 243 HD2 ARG 29 2HD ARG 29 15.264 -5.563 -11.170 244 HD3 ARG 29 3HD ARG 29 16.077 -3.990 -11.182 245 HE ARG 29 HE ARG 29 18.107 -5.636 -10.587 246 HH11 ARG 29 1HH1 ARG 29 15.703 -5.891 -13.152 247 HH12 ARG 29 2HH1 ARG 29 16.766 -6.748 -14.221 248 HH21 ARG 29 1HH2 ARG 29 19.461 -6.778 -11.960 249 HH22 ARG 29 2HH2 ARG 29 18.914 -7.255 -13.536 250 H ASP 30 H ASP 30 14.147 -1.819 -7.027 251 HA ASP 30 HA ASP 30 11.845 -1.814 -5.357 252 HB2 ASP 30 2HB ASP 30 11.788 0.580 -5.773 253 HB3 ASP 30 3HB ASP 30 13.456 0.086 -5.546 254 H GLU 31 H GLU 31 12.343 -1.906 -8.848 255 HA GLU 31 HA GLU 31 9.710 -1.582 -9.766 256 HB2 GLU 31 2HB GLU 31 11.974 -3.289 -10.874 257 HB3 GLU 31 3HB GLU 31 10.456 -3.029 -11.728 258 HG2 GLU 31 2HG GLU 31 12.446 -0.880 -10.953 259 HG3 GLU 31 3HG GLU 31 12.243 -1.570 -12.560 260 H GLU 32 H GLU 32 11.396 -4.453 -8.529 261 HA GLU 32 HA GLU 32 9.341 -6.337 -9.019 262 HB2 GLU 32 2HB GLU 32 11.428 -6.515 -6.801 263 HB3 GLU 32 3HB GLU 32 10.536 -7.848 -7.523 264 HG2 GLU 32 2HG GLU 32 12.737 -6.200 -8.768 265 HG3 GLU 32 3HG GLU 32 12.790 -7.904 -8.342 266 H LEU 33 H LEU 33 9.837 -3.985 -6.454 267 HA LEU 33 HA LEU 33 8.015 -5.167 -4.561 268 HB2 LEU 33 2HB LEU 33 10.027 -3.333 -4.308 269 HB3 LEU 33 3HB LEU 33 8.668 -2.235 -4.365 270 HG LEU 33 HG LEU 33 9.306 -2.702 -2.040 271 HD11 LEU 33 1HD1 LEU 33 6.925 -2.291 -2.418 272 HD12 LEU 33 2HD1 LEU 33 7.189 -3.378 -1.058 273 HD13 LEU 33 3HD1 LEU 33 6.644 -4.023 -2.609 274 HD21 LEU 33 3HD2 LEU 33 8.753 -5.634 -2.608 275 HD22 LEU 33 1HD2 LEU 33 9.124 -4.939 -1.025 276 HD23 LEU 33 2HD2 LEU 33 10.330 -4.903 -2.308 277 H LYS 34 H LYS 34 7.761 -2.784 -7.165 278 HA LYS 34 HA LYS 34 5.328 -1.528 -6.661 279 HB2 LYS 34 2HB LYS 34 6.596 -2.333 -9.308 280 HB3 LYS 34 3HB LYS 34 5.164 -1.310 -9.208 281 HG2 LYS 34 2HG LYS 34 6.381 0.448 -8.127 282 HG3 LYS 34 3HG LYS 34 7.785 -0.591 -7.872 283 HD2 LYS 34 2HD LYS 34 8.098 1.043 -9.737 284 HD3 LYS 34 3HD LYS 34 8.269 -0.635 -10.242 285 HE2 LYS 34 2HE LYS 34 5.977 -0.582 -11.169 286 HE3 LYS 34 3HE LYS 34 5.822 1.103 -10.673 287 HZ1 LYS 34 3HZ LYS 34 7.862 0.082 -12.574 288 HZ2 LYS 34 1HZ LYS 34 7.592 1.695 -12.160 289 HZ3 LYS 34 2HZ LYS 34 6.420 0.842 -13.024 290 H GLU 35 H GLU 35 5.842 -4.443 -8.670 291 HA GLU 35 HA GLU 35 3.157 -5.020 -9.224 292 HB2 GLU 35 2HB GLU 35 3.971 -7.282 -9.886 293 HB3 GLU 35 3HB GLU 35 4.957 -5.986 -10.559 294 HG2 GLU 35 2HG GLU 35 6.675 -6.369 -8.857 295 HG3 GLU 35 3HG GLU 35 5.682 -7.616 -8.107 296 H LYS 36 H LYS 36 5.195 -5.946 -6.466 297 HA LYS 36 HA LYS 36 3.521 -7.982 -5.397 298 HB2 LYS 36 2HB LYS 36 5.612 -6.250 -4.000 299 HB3 LYS 36 3HB LYS 36 4.861 -7.685 -3.294 300 HG2 LYS 36 2HG LYS 36 5.824 -9.092 -5.044 301 HG3 LYS 36 3HG LYS 36 6.515 -7.673 -5.832 302 HD2 LYS 36 2HD LYS 36 7.854 -7.284 -3.687 303 HD3 LYS 36 3HD LYS 36 7.297 -8.874 -3.149 304 HE2 LYS 36 2HE LYS 36 8.960 -8.276 -5.622 305 HE3 LYS 36 3HE LYS 36 9.514 -9.076 -4.152 306 HZ1 LYS 36 3HZ LYS 36 8.011 -10.906 -4.624 307 HZ2 LYS 36 1HZ LYS 36 9.064 -10.655 -5.921 308 HZ3 LYS 36 2HZ LYS 36 7.463 -10.132 -6.022 309 H LEU 37 H LEU 37 3.811 -4.501 -4.710 310 HA LEU 37 HA LEU 37 1.823 -4.286 -2.730 311 HB2 LEU 37 2HB LEU 37 2.792 -2.266 -4.779 312 HB3 LEU 37 3HB LEU 37 1.688 -1.856 -3.472 313 HG LEU 37 HG LEU 37 4.496 -2.949 -3.043 314 HD11 LEU 37 1HD1 LEU 37 3.529 -0.090 -2.870 315 HD12 LEU 37 2HD1 LEU 37 4.592 -0.758 -4.106 316 HD13 LEU 37 3HD1 LEU 37 5.137 -0.675 -2.434 317 HD21 LEU 37 3HD2 LEU 37 4.175 -2.229 -0.714 318 HD22 LEU 37 1HD2 LEU 37 2.975 -3.433 -1.179 319 HD23 LEU 37 2HD2 LEU 37 2.522 -1.727 -1.081 320 H LYS 38 H LYS 38 1.602 -4.057 -6.305 321 HA LYS 38 HA LYS 38 -1.148 -3.539 -6.497 322 HB2 LYS 38 2HB LYS 38 0.698 -5.028 -8.407 323 HB3 LYS 38 3HB LYS 38 -0.945 -4.527 -8.814 324 HG2 LYS 38 2HG LYS 38 -0.335 -2.177 -8.524 325 HG3 LYS 38 3HG LYS 38 1.299 -2.641 -8.033 326 HD2 LYS 38 2HD LYS 38 1.688 -3.625 -10.275 327 HD3 LYS 38 3HD LYS 38 0.052 -3.168 -10.762 328 HE2 LYS 38 2HE LYS 38 0.625 -0.793 -10.494 329 HE3 LYS 38 3HE LYS 38 2.246 -1.232 -9.947 330 HZ1 LYS 38 3HZ LYS 38 2.220 -0.604 -12.275 331 HZ2 LYS 38 1HZ LYS 38 1.109 -1.828 -12.624 332 HZ3 LYS 38 2HZ LYS 38 2.666 -2.224 -12.104 333 H LYS 39 H LYS 39 0.624 -6.652 -6.288 334 HA LYS 39 HA LYS 39 -1.612 -8.352 -6.620 335 HB2 LYS 39 2HB LYS 39 0.943 -8.968 -5.066 336 HB3 LYS 39 3HB LYS 39 -0.243 -10.155 -5.599 337 HG2 LYS 39 2HG LYS 39 1.587 -8.491 -7.339 338 HG3 LYS 39 3HG LYS 39 1.666 -10.230 -7.076 339 HD2 LYS 39 2HD LYS 39 -0.471 -10.525 -8.279 340 HD3 LYS 39 3HD LYS 39 -0.624 -8.775 -8.468 341 HE2 LYS 39 2HE LYS 39 1.496 -8.792 -9.817 342 HE3 LYS 39 3HE LYS 39 1.493 -10.558 -9.728 343 HZ1 LYS 39 3HZ LYS 39 -0.657 -10.560 -10.838 344 HZ2 LYS 39 1HZ LYS 39 0.499 -9.766 -11.783 345 HZ3 LYS 39 2HZ LYS 39 -0.643 -8.874 -10.916 346 H VAL 40 H VAL 40 0.042 -7.303 -3.618 347 HA VAL 40 HA VAL 40 -1.573 -8.520 -1.707 348 HB VAL 40 HB VAL 40 0.082 -5.960 -1.551 349 HG11 VAL 40 1HG1 VAL 40 -1.251 -7.387 0.778 350 HG12 VAL 40 2HG1 VAL 40 -1.626 -5.764 0.198 351 HG13 VAL 40 3HG1 VAL 40 -0.053 -6.098 0.924 352 HG21 VAL 40 3HG2 VAL 40 1.692 -7.372 -0.315 353 HG22 VAL 40 1HG2 VAL 40 1.361 -8.036 -1.917 354 HG23 VAL 40 2HG2 VAL 40 0.612 -8.759 -0.491 355 H LEU 41 H LEU 41 -1.878 -5.266 -3.131 356 HA LEU 41 HA LEU 41 -4.171 -4.513 -1.635 357 HB2 LEU 41 2HB LEU 41 -2.870 -3.361 -4.120 358 HB3 LEU 41 3HB LEU 41 -4.363 -2.688 -3.479 359 HG LEU 41 HG LEU 41 -1.778 -2.900 -1.880 360 HD11 LEU 41 1HD1 LEU 41 -2.922 -0.453 -3.247 361 HD12 LEU 41 2HD1 LEU 41 -1.475 -1.338 -3.735 362 HD13 LEU 41 3HD1 LEU 41 -1.508 -0.496 -2.188 363 HD21 LEU 41 3HD2 LEU 41 -2.882 -1.381 -0.295 364 HD22 LEU 41 1HD2 LEU 41 -3.776 -2.891 -0.466 365 HD23 LEU 41 2HD2 LEU 41 -4.360 -1.423 -1.264 366 H ASN 42 H ASN 42 -3.808 -5.921 -4.950 367 HA ASN 42 HA ASN 42 -6.536 -5.931 -5.634 368 HB2 ASN 42 2HB ASN 42 -4.185 -7.604 -6.542 369 HB3 ASN 42 3HB ASN 42 -5.803 -8.008 -7.096 370 HD21 ASN 42 1HD2 ASN 42 -4.709 -4.663 -6.584 371 HD22 ASN 42 2HD2 ASN 42 -4.724 -4.249 -8.256 372 H GLU 43 H GLU 43 -4.630 -8.386 -3.902 373 HA GLU 43 HA GLU 43 -6.621 -10.352 -3.618 374 HB2 GLU 43 2HB GLU 43 -4.333 -9.719 -1.694 375 HB3 GLU 43 3HB GLU 43 -5.277 -11.203 -1.705 376 HG2 GLU 43 2HG GLU 43 -3.319 -10.268 -3.814 377 HG3 GLU 43 3HG GLU 43 -3.118 -11.608 -2.696 378 H ARG 44 H ARG 44 -5.665 -7.614 -1.592 379 HA ARG 44 HA ARG 44 -7.423 -8.081 0.574 380 HB2 ARG 44 2HB ARG 44 -5.268 -6.698 0.571 381 HB3 ARG 44 3HB ARG 44 -6.167 -5.420 -0.231 382 HG2 ARG 44 2HG ARG 44 -5.931 -5.019 2.186 383 HG3 ARG 44 3HG ARG 44 -7.624 -5.168 1.715 384 HD2 ARG 44 2HD ARG 44 -7.907 -7.171 2.859 385 HD3 ARG 44 3HD ARG 44 -6.218 -7.653 2.671 386 HE ARG 44 HE ARG 44 -6.480 -5.381 4.390 387 HH11 ARG 44 1HH1 ARG 44 -6.920 -8.878 4.373 388 HH12 ARG 44 2HH1 ARG 44 -6.640 -9.042 6.072 389 HH21 ARG 44 1HH2 ARG 44 -5.993 -5.641 6.599 390 HH22 ARG 44 2HH2 ARG 44 -6.117 -7.216 7.327 391 H MET 45 H MET 45 -7.705 -6.095 -2.371 392 HA MET 45 HA MET 45 -10.122 -4.756 -1.520 393 HB2 MET 45 2HB MET 45 -8.703 -4.752 -4.221 394 HB3 MET 45 3HB MET 45 -10.136 -3.802 -3.856 395 HG2 MET 45 2HG MET 45 -7.388 -3.485 -2.634 396 HG3 MET 45 3HG MET 45 -8.212 -2.373 -3.724 397 HE1 MET 45 3HE MET 45 -11.115 -1.073 -1.367 398 HE2 MET 45 1HE MET 45 -11.196 -2.423 -2.497 399 HE3 MET 45 2HE MET 45 -10.393 -0.924 -2.969 400 H ASP 46 H ASP 46 -9.374 -7.732 -3.090 401 HA ASP 46 HA ASP 46 -11.393 -7.897 -5.005 402 HB2 ASP 46 2HB ASP 46 -9.357 -9.390 -4.856 403 HB3 ASP 46 3HB ASP 46 -10.167 -10.293 -3.579 404 HA PRO 47 HA PRO 47 -14.413 -10.050 -1.815 405 HB2 PRO 47 2HB PRO 47 -13.884 -9.933 0.863 406 HB3 PRO 47 3HB PRO 47 -13.241 -11.235 -0.163 407 HG2 PRO 47 2HG PRO 47 -11.862 -8.713 0.739 408 HG3 PRO 47 3HG PRO 47 -11.269 -10.392 0.791 409 HD2 PRO 47 2HD PRO 47 -10.538 -8.717 -1.194 410 HD3 PRO 47 3HD PRO 47 -10.803 -10.446 -1.496 411 H ILE 48 H ILE 48 -12.723 -7.094 -1.143 412 HA ILE 48 HA ILE 48 -14.712 -5.770 0.463 413 HB ILE 48 HB ILE 48 -12.221 -4.777 -0.976 414 HG12 ILE 48 2HG1 ILE 48 -11.720 -6.378 0.815 415 HG13 ILE 48 3HG1 ILE 48 -11.170 -4.775 1.273 416 HG21 ILE 48 1HG2 ILE 48 -12.332 -2.725 0.350 417 HG22 ILE 48 2HG2 ILE 48 -13.871 -3.237 1.031 418 HG23 ILE 48 3HG2 ILE 48 -13.744 -2.890 -0.689 419 HD11 ILE 48 3HD1 ILE 48 -12.115 -5.935 3.152 420 HD12 ILE 48 1HD1 ILE 48 -13.633 -6.182 2.293 421 HD13 ILE 48 2HD1 ILE 48 -13.129 -4.552 2.746 422 H LYS 49 H LYS 49 -13.900 -5.917 -2.967 423 HA LYS 49 HA LYS 49 -15.687 -3.850 -3.859 424 HB2 LYS 49 2HB LYS 49 -14.443 -6.171 -5.383 425 HB3 LYS 49 3HB LYS 49 -15.291 -4.813 -6.111 426 HG2 LYS 49 2HG LYS 49 -13.571 -3.278 -5.311 427 HG3 LYS 49 3HG LYS 49 -12.708 -4.608 -4.545 428 HD2 LYS 49 2HD LYS 49 -13.200 -4.256 -7.530 429 HD3 LYS 49 3HD LYS 49 -11.661 -4.028 -6.694 430 HE2 LYS 49 2HE LYS 49 -11.641 -6.425 -6.084 431 HE3 LYS 49 3HE LYS 49 -13.180 -6.651 -6.914 432 HZ1 LYS 49 3HZ LYS 49 -10.561 -5.980 -8.113 433 HZ2 LYS 49 1HZ LYS 49 -12.013 -5.852 -8.960 434 HZ3 LYS 49 2HZ LYS 49 -11.512 -7.350 -8.376 435 H LYS 50 H LYS 50 -15.838 -7.343 -3.416 436 HA LYS 50 HA LYS 50 -18.432 -7.853 -4.417 437 HB2 LYS 50 2HB LYS 50 -16.534 -9.495 -3.925 438 HB3 LYS 50 3HB LYS 50 -16.923 -9.356 -2.224 439 HG2 LYS 50 2HG LYS 50 -18.935 -10.333 -4.270 440 HG3 LYS 50 3HG LYS 50 -17.773 -11.420 -3.520 441 HD2 LYS 50 2HD LYS 50 -19.948 -9.834 -2.094 442 HD3 LYS 50 3HD LYS 50 -19.934 -11.574 -2.387 443 HE2 LYS 50 2HE LYS 50 -17.918 -11.783 -0.943 444 HE3 LYS 50 3HE LYS 50 -17.992 -10.048 -0.616 445 HZ1 LYS 50 3HZ LYS 50 -20.126 -10.348 0.426 446 HZ2 LYS 50 1HZ LYS 50 -19.010 -11.390 1.144 447 HZ3 LYS 50 2HZ LYS 50 -20.140 -11.992 0.041 448 H LEU 51 H LEU 51 -17.242 -6.506 -1.409 449 HA LEU 51 HA LEU 51 -19.746 -6.584 0.054 450 HB2 LEU 51 2HB LEU 51 -17.272 -4.863 0.506 451 HB3 LEU 51 3HB LEU 51 -18.639 -4.962 1.601 452 HG LEU 51 HG LEU 51 -16.658 -7.175 0.974 453 HD11 LEU 51 1HD1 LEU 51 -17.144 -5.647 3.546 454 HD12 LEU 51 2HD1 LEU 51 -15.771 -5.449 2.454 455 HD13 LEU 51 3HD1 LEU 51 -15.992 -6.968 3.316 456 HD21 LEU 51 3HD2 LEU 51 -19.095 -7.313 2.780 457 HD22 LEU 51 1HD2 LEU 51 -17.836 -8.545 2.645 458 HD23 LEU 51 2HD2 LEU 51 -18.859 -8.182 1.260 459 H GLY 52 H GLY 52 -17.958 -4.252 -1.920 460 HA2 GLY 52 2HA GLY 52 -18.719 -2.631 -3.341 461 HA3 GLY 52 3HA GLY 52 -20.366 -3.014 -2.880 462 H CYS 53 H CYS 53 -17.799 -2.069 -0.632 463 HA CYS 53 HA CYS 53 -19.224 0.218 0.333 464 HB2 CYS 53 2HB CYS 53 -16.924 0.659 1.485 465 HB3 CYS 53 3HB CYS 53 -17.836 -0.773 1.948 466 H LYS 54 H LYS 54 -19.261 2.188 -0.504 467 HA LYS 54 HA LYS 54 -18.169 2.654 -3.114 468 HB2 LYS 54 2HB LYS 54 -19.747 4.563 -1.315 469 HB3 LYS 54 3HB LYS 54 -19.351 4.862 -3.001 470 HG2 LYS 54 2HG LYS 54 -21.628 4.188 -2.962 471 HG3 LYS 54 3HG LYS 54 -20.723 2.812 -3.599 472 HD2 LYS 54 2HD LYS 54 -20.820 1.737 -1.352 473 HD3 LYS 54 3HD LYS 54 -21.748 3.108 -0.741 474 HE2 LYS 54 2HE LYS 54 -23.642 2.540 -2.067 475 HE3 LYS 54 3HE LYS 54 -22.705 1.433 -3.074 476 HZ1 LYS 54 3HZ LYS 54 -24.091 0.259 -1.485 477 HZ2 LYS 54 1HZ LYS 54 -23.317 1.028 -0.195 478 HZ3 LYS 54 2HZ LYS 54 -22.454 -0.036 -1.186 479 H ARG 55 H ARG 55 -17.260 3.518 0.105 480 HA ARG 55 HA ARG 55 -14.929 5.065 -0.893 481 HB2 ARG 55 2HB ARG 55 -16.602 6.567 0.201 482 HB3 ARG 55 3HB ARG 55 -16.548 5.573 1.649 483 HG2 ARG 55 2HG ARG 55 -14.012 6.181 1.728 484 HG3 ARG 55 3HG ARG 55 -14.423 7.442 0.560 485 HD2 ARG 55 2HD ARG 55 -14.472 8.418 2.787 486 HD3 ARG 55 3HD ARG 55 -16.136 8.313 2.203 487 HE ARG 55 HE ARG 55 -14.888 6.492 4.178 488 HH11 ARG 55 1HH1 ARG 55 -17.833 7.951 2.887 489 HH12 ARG 55 2HH1 ARG 55 -18.843 7.253 4.113 490 HH21 ARG 55 1HH2 ARG 55 -16.235 5.588 5.751 491 HH22 ARG 55 2HH2 ARG 55 -17.939 5.917 5.732 492 H VAL 56 H VAL 56 -13.076 4.087 -0.286 493 HA VAL 56 HA VAL 56 -13.014 2.336 2.117 494 HB VAL 56 HB VAL 56 -11.196 1.021 0.933 495 HG11 VAL 56 1HG1 VAL 56 -13.920 0.978 -0.414 496 HG12 VAL 56 2HG1 VAL 56 -13.480 0.140 1.076 497 HG13 VAL 56 3HG1 VAL 56 -12.728 -0.327 -0.449 498 HG21 VAL 56 3HG2 VAL 56 -10.540 2.684 -0.773 499 HG22 VAL 56 1HG2 VAL 56 -12.117 2.529 -1.553 500 HG23 VAL 56 2HG2 VAL 56 -10.999 1.160 -1.535 501 H ARG 57 H ARG 57 -11.424 2.769 3.558 502 HA ARG 57 HA ARG 57 -9.298 4.707 2.848 503 HB2 ARG 57 2HB ARG 57 -10.699 5.533 4.668 504 HB3 ARG 57 3HB ARG 57 -10.525 4.023 5.557 505 HG2 ARG 57 2HG ARG 57 -8.170 4.476 5.978 506 HG3 ARG 57 3HG ARG 57 -8.213 5.897 4.931 507 HD2 ARG 57 2HD ARG 57 -9.789 5.596 7.510 508 HD3 ARG 57 3HD ARG 57 -8.260 6.469 7.349 509 HE ARG 57 HE ARG 57 -10.532 7.256 5.664 510 HH11 ARG 57 1HH1 ARG 57 -8.431 8.091 8.370 511 HH12 ARG 57 2HH1 ARG 57 -8.931 9.751 8.384 512 HH21 ARG 57 1HH2 ARG 57 -11.158 9.402 5.676 513 HH22 ARG 57 2HH2 ARG 57 -10.485 10.498 6.848 514 H ILE 58 H ILE 58 -7.681 3.450 2.143 515 HA ILE 58 HA ILE 58 -6.740 1.108 3.650 516 HB ILE 58 HB ILE 58 -5.779 2.246 0.974 517 HG12 ILE 58 2HG1 ILE 58 -7.588 -0.162 1.478 518 HG13 ILE 58 3HG1 ILE 58 -8.099 1.377 0.793 519 HG21 ILE 58 1HG2 ILE 58 -4.015 0.993 2.143 520 HG22 ILE 58 2HG2 ILE 58 -4.551 0.117 0.711 521 HG23 ILE 58 3HG2 ILE 58 -5.092 -0.395 2.309 522 HD11 ILE 58 3HD1 ILE 58 -6.607 0.971 -1.137 523 HD12 ILE 58 1HD1 ILE 58 -7.868 -0.244 -0.946 524 HD13 ILE 58 2HD1 ILE 58 -6.214 -0.616 -0.465 525 H SER 59 H SER 59 -5.510 1.831 5.353 526 HA SER 59 HA SER 59 -3.630 4.073 5.044 527 HB2 SER 59 2HB SER 59 -4.640 2.688 7.579 528 HB3 SER 59 3HB SER 59 -3.631 4.137 7.514 529 HG SER 59 HG SER 59 -6.211 3.956 6.350 530 H ILE 60 H ILE 60 -1.783 3.251 4.245 531 HA ILE 60 HA ILE 60 -0.810 0.591 5.007 532 HB ILE 60 HB ILE 60 -0.035 2.517 2.773 533 HG12 ILE 60 2HG1 ILE 60 -1.283 -0.269 2.766 534 HG13 ILE 60 3HG1 ILE 60 -2.096 1.241 2.378 535 HG21 ILE 60 1HG2 ILE 60 1.341 -0.116 3.421 536 HG22 ILE 60 2HG2 ILE 60 2.055 1.491 3.561 537 HG23 ILE 60 3HG2 ILE 60 1.619 0.857 1.974 538 HD11 ILE 60 3HD1 ILE 60 -0.617 1.462 0.397 539 HD12 ILE 60 1HD1 ILE 60 -1.660 0.042 0.371 540 HD13 ILE 60 2HD1 ILE 60 0.050 -0.131 0.765 541 H ARG 61 H ARG 61 0.492 0.493 6.699 542 HA ARG 61 HA ARG 61 2.325 2.703 7.377 543 HB2 ARG 61 2HB ARG 61 1.476 0.249 9.002 544 HB3 ARG 61 3HB ARG 61 2.569 1.514 9.562 545 HG2 ARG 61 2HG ARG 61 0.719 3.166 9.355 546 HG3 ARG 61 3HG ARG 61 -0.367 1.862 8.871 547 HD2 ARG 61 2HD ARG 61 1.086 2.016 11.537 548 HD3 ARG 61 3HD ARG 61 -0.590 2.501 11.268 549 HE ARG 61 HE ARG 61 0.195 -0.267 10.644 550 HH11 ARG 61 1HH1 ARG 61 -1.541 1.905 12.830 551 HH12 ARG 61 2HH1 ARG 61 -2.430 0.616 13.582 552 HH21 ARG 61 1HH2 ARG 61 -0.985 -1.930 11.652 553 HH22 ARG 61 2HH2 ARG 61 -2.119 -1.556 12.912 554 H VAL 62 H VAL 62 4.276 2.475 6.487 555 HA VAL 62 HA VAL 62 5.257 -0.159 5.620 556 HB VAL 62 HB VAL 62 5.425 1.556 3.900 557 HG11 VAL 62 1HG1 VAL 62 7.014 3.223 5.854 558 HG12 VAL 62 2HG1 VAL 62 5.380 3.571 5.279 559 HG13 VAL 62 3HG1 VAL 62 6.742 3.618 4.152 560 HG21 VAL 62 3HG2 VAL 62 7.312 0.005 3.953 561 HG22 VAL 62 1HG2 VAL 62 8.199 1.065 5.039 562 HG23 VAL 62 2HG2 VAL 62 7.846 1.579 3.386 563 H LYS 63 H LYS 63 6.787 -1.217 6.728 564 HA LYS 63 HA LYS 63 7.695 -0.196 9.282 565 HB2 LYS 63 2HB LYS 63 6.903 -2.544 9.012 566 HB3 LYS 63 3HB LYS 63 8.246 -2.852 7.922 567 HG2 LYS 63 2HG LYS 63 9.765 -2.115 9.933 568 HG3 LYS 63 3HG LYS 63 8.319 -2.360 10.914 569 HD2 LYS 63 2HD LYS 63 9.747 -4.347 10.964 570 HD3 LYS 63 3HD LYS 63 8.214 -4.718 10.166 571 HE2 LYS 63 2HE LYS 63 10.142 -5.723 8.975 572 HE3 LYS 63 3HE LYS 63 9.312 -4.543 7.959 573 HZ1 LYS 63 3HZ LYS 63 11.038 -2.926 8.581 574 HZ2 LYS 63 1HZ LYS 63 11.681 -4.276 7.792 575 HZ3 LYS 63 2HZ LYS 63 11.830 -4.126 9.463 576 H HIS 64 H HIS 64 9.393 1.100 9.275 577 HA HIS 64 HA HIS 64 11.445 1.045 7.212 578 HB2 HIS 64 2HB HIS 64 10.765 2.922 9.508 579 HB3 HIS 64 3HB HIS 64 12.223 3.116 8.536 580 HD1 HIS 64 HD1 HIS 64 10.878 5.490 8.062 581 HD2 HIS 64 HD2 HIS 64 9.423 2.079 6.211 582 HE1 HIS 64 HE1 HIS 64 9.618 6.295 6.052 583 HE2 HIS 64 HE2 HIS 64 9.049 4.194 4.810 584 H SER 65 H SER 65 13.032 -0.325 7.444 585 HA SER 65 HA SER 65 13.466 -1.816 9.848 586 HB2 SER 65 2HB SER 65 15.036 -1.901 7.241 587 HB3 SER 65 3HB SER 65 14.935 -3.172 8.464 588 HG SER 65 HG SER 65 13.547 -3.560 6.691 589 H ASP 66 H ASP 66 15.049 0.937 8.392 590 HA ASP 66 HA ASP 66 17.103 0.993 10.497 591 HB2 ASP 66 2HB ASP 66 18.137 -0.253 8.578 592 HB3 ASP 66 3HB ASP 66 17.809 1.115 7.521 593 H ALA 67 H ALA 67 17.396 3.039 11.213 594 HA ALA 67 HA ALA 67 15.583 5.063 10.445 595 HB1 ALA 67 3HB ALA 67 17.969 5.279 12.304 596 HB2 ALA 67 1HB ALA 67 16.347 4.750 12.754 597 HB3 ALA 67 2HB ALA 67 16.611 6.408 12.215 598 H ALA 68 H ALA 68 18.924 4.536 9.474 599 HA ALA 68 HA ALA 68 19.286 7.246 8.442 600 HB1 ALA 68 3HB ALA 68 21.510 6.448 7.734 601 HB2 ALA 68 1HB ALA 68 21.072 4.802 8.203 602 HB3 ALA 68 2HB ALA 68 21.204 6.063 9.428 603 H GLU 69 H GLU 69 18.583 4.009 7.206 604 HA GLU 69 HA GLU 69 18.821 4.728 4.422 605 HB2 GLU 69 2HB GLU 69 17.649 2.239 5.735 606 HB3 GLU 69 3HB GLU 69 17.867 2.437 3.998 607 HG2 GLU 69 2HG GLU 69 20.047 2.342 6.099 608 HG3 GLU 69 3HG GLU 69 19.672 1.098 4.910 609 H GLU 70 H GLU 70 16.240 4.842 6.780 610 HA GLU 70 HA GLU 70 14.093 4.362 4.972 611 HB2 GLU 70 2HB GLU 70 12.605 4.908 6.839 612 HB3 GLU 70 3HB GLU 70 13.842 3.746 7.265 613 HG2 GLU 70 2HG GLU 70 13.694 5.089 9.152 614 HG3 GLU 70 3HG GLU 70 15.105 5.722 8.318 615 H LYS 71 H LYS 71 15.870 7.199 5.560 616 HA LYS 71 HA LYS 71 13.975 9.177 4.769 617 HB2 LYS 71 2HB LYS 71 17.000 9.149 4.333 618 HB3 LYS 71 3HB LYS 71 15.961 10.572 4.259 619 HG2 LYS 71 2HG LYS 71 15.462 10.348 6.661 620 HG3 LYS 71 3HG LYS 71 16.469 8.900 6.747 621 HD2 LYS 71 2HD LYS 71 17.457 11.693 6.021 622 HD3 LYS 71 3HD LYS 71 17.643 10.928 7.599 623 HE2 LYS 71 2HE LYS 71 19.061 9.177 6.600 624 HE3 LYS 71 3HE LYS 71 18.843 9.894 5.002 625 HZ1 LYS 71 3HZ LYS 71 19.978 11.876 5.757 626 HZ2 LYS 71 1HZ LYS 71 20.955 10.524 6.017 627 HZ3 LYS 71 2HZ LYS 71 20.146 11.238 7.313 628 H LYS 72 H LYS 72 16.448 7.364 3.041 629 HA LYS 72 HA LYS 72 15.820 8.247 0.385 630 HB2 LYS 72 2HB LYS 72 18.100 7.687 1.029 631 HB3 LYS 72 3HB LYS 72 17.610 6.086 1.558 632 HG2 LYS 72 2HG LYS 72 17.145 5.472 -0.819 633 HG3 LYS 72 3HG LYS 72 17.708 7.072 -1.314 634 HD2 LYS 72 2HD LYS 72 19.472 5.329 -1.588 635 HD3 LYS 72 3HD LYS 72 19.963 6.590 -0.453 636 HE2 LYS 72 2HE LYS 72 19.332 5.080 1.438 637 HE3 LYS 72 3HE LYS 72 18.912 3.824 0.272 638 HZ1 LYS 72 3HZ LYS 72 21.120 3.498 1.193 639 HZ2 LYS 72 1HZ LYS 72 21.610 5.018 0.631 640 HZ3 LYS 72 2HZ LYS 72 21.210 3.800 -0.470 641 H GLU 73 H GLU 73 14.930 5.538 2.423 642 HA GLU 73 HA GLU 73 13.946 3.792 0.365 643 HB2 GLU 73 2HB GLU 73 14.777 2.802 2.393 644 HB3 GLU 73 3HB GLU 73 13.706 3.761 3.386 645 HG2 GLU 73 2HG GLU 73 12.254 2.011 1.490 646 HG3 GLU 73 3HG GLU 73 13.275 1.123 2.617 647 H ALA 74 H ALA 74 12.340 5.859 2.841 648 HA ALA 74 HA ALA 74 9.678 5.453 1.966 649 HB1 ALA 74 3HB ALA 74 10.251 6.378 4.163 650 HB2 ALA 74 1HB ALA 74 9.135 7.434 3.300 651 HB3 ALA 74 2HB ALA 74 10.851 7.853 3.406 652 H LYS 75 H LYS 75 12.153 7.744 1.031 653 HA LYS 75 HA LYS 75 10.738 9.482 -0.654 654 HB2 LYS 75 2HB LYS 75 13.154 9.740 0.103 655 HB3 LYS 75 3HB LYS 75 13.597 8.496 -1.059 656 HG2 LYS 75 2HG LYS 75 14.095 10.669 -2.004 657 HG3 LYS 75 3HG LYS 75 12.750 9.954 -2.902 658 HD2 LYS 75 2HD LYS 75 11.151 11.343 -1.627 659 HD3 LYS 75 3HD LYS 75 12.477 12.036 -0.691 660 HE2 LYS 75 2HE LYS 75 13.400 13.020 -2.782 661 HE3 LYS 75 3HE LYS 75 12.027 12.357 -3.678 662 HZ1 LYS 75 3HZ LYS 75 11.679 14.674 -3.090 663 HZ2 LYS 75 1HZ LYS 75 11.847 14.313 -1.446 664 HZ3 LYS 75 2HZ LYS 75 10.542 13.688 -2.322 665 H LYS 76 H LYS 76 12.450 6.469 -1.333 666 HA LYS 76 HA LYS 76 11.885 6.281 -4.112 667 HB2 LYS 76 2HB LYS 76 13.830 5.222 -3.013 668 HB3 LYS 76 3HB LYS 76 12.761 4.182 -2.081 669 HG2 LYS 76 2HG LYS 76 12.043 3.041 -4.139 670 HG3 LYS 76 3HG LYS 76 13.049 4.121 -5.109 671 HD2 LYS 76 2HD LYS 76 14.047 2.142 -3.019 672 HD3 LYS 76 3HD LYS 76 14.153 1.937 -4.767 673 HE2 LYS 76 2HE LYS 76 15.660 3.896 -4.905 674 HE3 LYS 76 3HE LYS 76 15.544 4.112 -3.156 675 HZ1 LYS 76 3HZ LYS 76 16.567 1.961 -2.844 676 HZ2 LYS 76 1HZ LYS 76 17.560 2.930 -3.807 677 HZ3 LYS 76 2HZ LYS 76 16.635 1.704 -4.513 678 H PHE 77 H PHE 77 10.303 5.098 -1.182 679 HA PHE 77 HA PHE 77 8.695 3.070 -2.462 680 HB2 PHE 77 2HB PHE 77 9.614 2.902 -0.102 681 HB3 PHE 77 3HB PHE 77 8.494 4.162 0.386 682 HD1 PHE 77 HD1 PHE 77 8.591 0.725 -1.141 683 HD2 PHE 77 HD2 PHE 77 6.328 3.532 1.176 684 HE1 PHE 77 HE1 PHE 77 6.905 -1.005 -0.672 685 HE2 PHE 77 HE2 PHE 77 4.651 1.790 1.630 686 HZ PHE 77 HZ PHE 77 4.934 -0.476 0.707 687 H ALA 78 H ALA 78 8.391 6.426 -1.637 688 HA ALA 78 HA ALA 78 5.580 6.751 -1.888 689 HB1 ALA 78 3HB ALA 78 7.824 8.724 -2.432 690 HB2 ALA 78 1HB ALA 78 7.032 8.450 -0.879 691 HB3 ALA 78 2HB ALA 78 6.116 9.137 -2.222 692 H ALA 79 H ALA 79 8.271 6.969 -4.213 693 HA ALA 79 HA ALA 79 6.745 7.539 -6.532 694 HB1 ALA 79 3HB ALA 79 9.170 7.927 -6.399 695 HB2 ALA 79 1HB ALA 79 8.779 6.884 -7.768 696 HB3 ALA 79 2HB ALA 79 9.458 6.190 -6.290 697 H ILE 80 H ILE 80 7.751 4.525 -4.975 698 HA ILE 80 HA ILE 80 6.921 2.663 -6.928 699 HB ILE 80 HB ILE 80 7.150 2.329 -3.896 700 HG12 ILE 80 2HG1 ILE 80 9.296 2.972 -4.839 701 HG13 ILE 80 3HG1 ILE 80 9.377 1.266 -4.439 702 HG21 ILE 80 1HG2 ILE 80 5.767 0.525 -4.859 703 HG22 ILE 80 2HG2 ILE 80 7.307 -0.086 -4.254 704 HG23 ILE 80 3HG2 ILE 80 7.066 0.133 -5.986 705 HD11 ILE 80 3HD1 ILE 80 10.468 1.753 -6.539 706 HD12 ILE 80 1HD1 ILE 80 8.978 2.422 -7.197 707 HD13 ILE 80 2HD1 ILE 80 9.077 0.703 -6.798 708 H LEU 81 H LEU 81 5.234 4.027 -4.079 709 HA LEU 81 HA LEU 81 2.796 2.594 -4.396 710 HB2 LEU 81 2HB LEU 81 3.604 5.038 -2.798 711 HB3 LEU 81 3HB LEU 81 1.930 4.515 -2.834 712 HG LEU 81 HG LEU 81 4.267 2.864 -1.783 713 HD11 LEU 81 1HD1 LEU 81 2.029 4.263 -0.286 714 HD12 LEU 81 2HD1 LEU 81 3.728 4.742 -0.317 715 HD13 LEU 81 3HD1 LEU 81 3.262 3.216 0.428 716 HD21 LEU 81 3HD2 LEU 81 2.559 1.280 -0.982 717 HD22 LEU 81 1HD2 LEU 81 2.542 1.410 -2.740 718 HD23 LEU 81 2HD2 LEU 81 1.298 2.219 -1.785 719 H ASN 82 H ASN 82 3.989 5.684 -5.636 720 HA ASN 82 HA ASN 82 1.549 6.868 -6.429 721 HB2 ASN 82 2HB ASN 82 3.721 8.110 -6.336 722 HB3 ASN 82 3HB ASN 82 4.295 7.207 -7.735 723 HD21 ASN 82 1HD2 ASN 82 4.489 8.930 -9.157 724 HD22 ASN 82 2HD2 ASN 82 3.166 9.905 -9.682 725 H LYS 83 H LYS 83 3.769 4.665 -8.110 726 HA LYS 83 HA LYS 83 2.422 4.503 -10.599 727 HB2 LYS 83 2HB LYS 83 4.262 2.520 -9.198 728 HB3 LYS 83 3HB LYS 83 3.688 2.310 -10.849 729 HG2 LYS 83 2HG LYS 83 5.391 4.630 -9.877 730 HG3 LYS 83 3HG LYS 83 5.990 3.207 -10.736 731 HD2 LYS 83 2HD LYS 83 4.527 3.815 -12.681 732 HD3 LYS 83 3HD LYS 83 4.049 5.286 -11.828 733 HE2 LYS 83 2HE LYS 83 6.883 4.581 -12.683 734 HE3 LYS 83 3HE LYS 83 5.815 5.724 -13.497 735 HZ1 LYS 83 3HZ LYS 83 7.390 6.843 -12.066 736 HZ2 LYS 83 1HZ LYS 83 6.828 5.994 -10.720 737 HZ3 LYS 83 2HZ LYS 83 5.815 7.092 -11.512 738 H VAL 84 H VAL 84 2.119 2.670 -7.572 739 HA VAL 84 HA VAL 84 0.615 0.487 -8.617 740 HB VAL 84 HB VAL 84 1.010 1.467 -5.749 741 HG11 VAL 84 1HG1 VAL 84 -0.200 -1.165 -6.672 742 HG12 VAL 84 2HG1 VAL 84 -1.051 0.132 -5.832 743 HG13 VAL 84 3HG1 VAL 84 0.223 -0.767 -5.006 744 HG21 VAL 84 3HG2 VAL 84 2.337 -0.815 -7.262 745 HG22 VAL 84 1HG2 VAL 84 2.650 -0.374 -5.580 746 HG23 VAL 84 2HG2 VAL 84 3.084 0.736 -6.880 747 H PHE 85 H PHE 85 -0.333 3.188 -6.472 748 HA PHE 85 HA PHE 85 -3.084 2.714 -6.395 749 HB2 PHE 85 2HB PHE 85 -1.538 5.306 -5.970 750 HB3 PHE 85 3HB PHE 85 -3.252 5.128 -5.610 751 HD1 PHE 85 HD1 PHE 85 -3.542 2.584 -4.287 752 HD2 PHE 85 HD2 PHE 85 -0.332 5.400 -3.942 753 HE1 PHE 85 HE1 PHE 85 -3.010 1.719 -2.045 754 HE2 PHE 85 HE2 PHE 85 0.186 4.519 -1.710 755 HZ PHE 85 HZ PHE 85 -1.149 2.688 -0.763 756 H ALA 86 H ALA 86 -1.228 4.808 -8.615 757 HA ALA 86 HA ALA 86 -3.399 5.993 -9.985 758 HB1 ALA 86 3HB ALA 86 -1.107 6.876 -10.103 759 HB2 ALA 86 1HB ALA 86 -1.752 6.584 -11.720 760 HB3 ALA 86 2HB ALA 86 -0.591 5.454 -11.010 761 H GLU 87 H GLU 87 -1.778 2.910 -10.365 762 HA GLU 87 HA GLU 87 -3.130 2.247 -12.888 763 HB2 GLU 87 2HB GLU 87 -0.938 0.848 -11.294 764 HB3 GLU 87 3HB GLU 87 -1.676 0.154 -12.739 765 HG2 GLU 87 2HG GLU 87 -0.906 2.067 -14.083 766 HG3 GLU 87 3HG GLU 87 -0.209 2.814 -12.649 767 H LEU 88 H LEU 88 -3.988 2.187 -9.719 768 HA LEU 88 HA LEU 88 -5.645 -0.262 -9.971 769 HB2 LEU 88 2HB LEU 88 -4.986 1.359 -7.472 770 HB3 LEU 88 3HB LEU 88 -6.059 -0.030 -7.515 771 HG LEU 88 HG LEU 88 -3.048 0.002 -7.866 772 HD11 LEU 88 1HD1 LEU 88 -4.806 -1.468 -5.894 773 HD12 LEU 88 2HD1 LEU 88 -3.838 -0.028 -5.567 774 HD13 LEU 88 3HD1 LEU 88 -3.043 -1.543 -5.980 775 HD21 LEU 88 3HD2 LEU 88 -4.853 -2.375 -8.399 776 HD22 LEU 88 1HD2 LEU 88 -3.087 -2.403 -8.327 777 HD23 LEU 88 2HD2 LEU 88 -3.899 -1.495 -9.597 778 H GLY 89 H GLY 89 -5.738 3.219 -9.783 779 HA2 GLY 89 2HA GLY 89 -7.761 4.207 -10.845 780 HA3 GLY 89 3HA GLY 89 -8.720 3.212 -9.762 781 H TYR 90 H TYR 90 -6.283 3.988 -7.807 782 HA TYR 90 HA TYR 90 -7.673 6.184 -6.537 783 HB2 TYR 90 2HB TYR 90 -5.014 4.872 -5.822 784 HB3 TYR 90 3HB TYR 90 -5.883 6.021 -4.811 785 HD1 TYR 90 HD2 TYR 90 -8.380 5.330 -4.203 786 HD2 TYR 90 HD1 TYR 90 -5.351 2.558 -5.427 787 HE1 TYR 90 HE2 TYR 90 -9.642 3.489 -3.172 788 HE2 TYR 90 HE1 TYR 90 -6.614 0.717 -4.387 789 HH TYR 90 HH TYR 90 -8.339 0.381 -2.686 790 H ASN 91 H ASN 91 -7.224 8.289 -6.750 791 HA ASN 91 HA ASN 91 -5.213 9.219 -8.653 792 HB2 ASN 91 2HB ASN 91 -7.455 10.646 -7.154 793 HB3 ASN 91 3HB ASN 91 -6.343 11.471 -8.237 794 HD21 ASN 91 1HD2 ASN 91 -7.709 8.249 -8.899 795 HD22 ASN 91 2HD2 ASN 91 -8.685 8.768 -10.220 796 H ASP 92 H ASP 92 -4.018 11.300 -8.006 797 HA ASP 92 HA ASP 92 -2.196 10.871 -5.956 798 HB2 ASP 92 2HB ASP 92 -1.831 12.346 -7.933 799 HB3 ASP 92 3HB ASP 92 -2.969 13.516 -7.278 800 H SER 93 H SER 93 -5.087 12.926 -5.988 801 HA SER 93 HA SER 93 -4.924 14.178 -3.530 802 HB2 SER 93 2HB SER 93 -6.567 14.736 -5.295 803 HB3 SER 93 3HB SER 93 -7.442 13.245 -4.959 804 HG SER 93 HG SER 93 -7.699 15.612 -3.779 805 H ASN 94 H ASN 94 -5.953 10.850 -4.199 806 HA ASN 94 HA ASN 94 -7.220 10.307 -1.719 807 HB2 ASN 94 2HB ASN 94 -5.881 8.419 -3.701 808 HB3 ASN 94 3HB ASN 94 -6.823 7.871 -2.316 809 HD21 ASN 94 1HD2 ASN 94 -8.846 10.007 -2.593 810 HD22 ASN 94 2HD2 ASN 94 -9.794 9.558 -3.961 811 H VAL 95 H VAL 95 -3.861 10.414 -2.648 812 HA VAL 95 HA VAL 95 -2.903 8.753 -0.434 813 HB VAL 95 HB VAL 95 -1.397 10.168 -2.691 814 HG11 VAL 95 1HG1 VAL 95 0.499 8.697 -2.148 815 HG12 VAL 95 2HG1 VAL 95 -0.406 8.010 -0.800 816 HG13 VAL 95 3HG1 VAL 95 0.069 9.709 -0.766 817 HG21 VAL 95 3HG2 VAL 95 -2.278 7.260 -2.512 818 HG22 VAL 95 1HG2 VAL 95 -1.277 7.951 -3.794 819 HG23 VAL 95 2HG2 VAL 95 -2.949 8.483 -3.594 820 H THR 96 H THR 96 -2.323 9.688 1.499 821 HA THR 96 HA THR 96 -0.896 12.276 1.507 822 HB THR 96 HB THR 96 -3.160 11.604 3.448 823 HG1 THR 96 HG1 THR 96 -3.009 13.157 1.117 824 HG21 THR 96 3HG2 THR 96 -1.422 12.916 4.589 825 HG22 THR 96 1HG2 THR 96 -2.831 13.939 4.281 826 HG23 THR 96 2HG2 THR 96 -1.398 14.080 3.261 827 H TRP 97 H TRP 97 1.003 12.009 2.517 828 HA TRP 97 HA TRP 97 1.543 9.732 4.268 829 HB2 TRP 97 2HB TRP 97 3.329 11.922 3.117 830 HB3 TRP 97 3HB TRP 97 3.915 10.664 4.202 831 HD1 TRP 97 HD1 TRP 97 2.448 11.038 0.621 832 HE1 TRP 97 HE1 TRP 97 3.218 9.009 -0.769 833 HE3 TRP 97 HE3 TRP 97 4.783 8.336 4.311 834 HZ2 TRP 97 HZ2 TRP 97 4.625 6.605 -0.362 835 HZ3 TRP 97 HZ3 TRP 97 5.818 6.175 3.718 836 HH2 TRP 97 HH2 TRP 97 5.738 5.330 1.422 837 H ASP 98 H ASP 98 1.309 9.876 6.422 838 HA ASP 98 HA ASP 98 2.065 12.375 7.859 839 HB2 ASP 98 2HB ASP 98 0.038 10.239 8.718 840 HB3 ASP 98 3HB ASP 98 0.608 11.536 9.758 841 H GLY 99 H GLY 99 4.221 11.831 8.014 842 HA2 GLY 99 2HA GLY 99 6.101 10.967 9.000 843 HA3 GLY 99 3HA GLY 99 5.061 10.043 10.075 844 H ASP 100 H ASP 100 5.542 7.948 9.944 845 HA ASP 100 HA ASP 100 6.687 6.702 7.576 846 HB2 ASP 100 2HB ASP 100 5.853 5.443 10.235 847 HB3 ASP 100 3HB ASP 100 6.809 4.660 8.981 848 H THR 101 H THR 101 3.551 7.414 8.488 849 HA THR 101 HA THR 101 2.324 5.018 7.270 850 HB THR 101 HB THR 101 1.065 7.235 8.963 851 HG1 THR 101 HG1 THR 101 1.830 6.078 10.547 852 HG21 THR 101 3HG2 THR 101 -0.924 5.777 9.111 853 HG22 THR 101 1HG2 THR 101 -0.168 4.614 8.026 854 HG23 THR 101 2HG2 THR 101 -0.608 6.217 7.428 855 H VAL 102 H VAL 102 0.917 5.271 5.520 856 HA VAL 102 HA VAL 102 0.353 7.976 4.482 857 HB VAL 102 HB VAL 102 2.026 7.075 2.964 858 HG11 VAL 102 1HG1 VAL 102 1.853 4.682 3.456 859 HG12 VAL 102 2HG1 VAL 102 1.774 4.971 1.717 860 HG13 VAL 102 3HG1 VAL 102 0.301 4.605 2.617 861 HG21 VAL 102 3HG2 VAL 102 -0.720 6.866 1.683 862 HG22 VAL 102 1HG2 VAL 102 0.802 7.112 0.820 863 HG23 VAL 102 2HG2 VAL 102 0.202 8.350 1.926 864 H THR 103 H THR 103 -1.772 8.303 4.660 865 HA THR 103 HA THR 103 -3.698 6.087 4.708 866 HB THR 103 HB THR 103 -4.111 9.065 5.265 867 HG1 THR 103 HG1 THR 103 -2.775 7.632 6.763 868 HG21 THR 103 3HG2 THR 103 -5.970 6.725 5.858 869 HG22 THR 103 1HG2 THR 103 -6.215 7.910 4.568 870 HG23 THR 103 2HG2 THR 103 -6.266 8.417 6.256 871 H VAL 104 H VAL 104 -4.537 5.549 2.813 872 HA VAL 104 HA VAL 104 -4.976 7.539 0.660 873 HB VAL 104 HB VAL 104 -4.542 4.512 0.440 874 HG11 VAL 104 1HG1 VAL 104 -4.509 4.836 -2.012 875 HG12 VAL 104 2HG1 VAL 104 -4.907 6.543 -1.797 876 HG13 VAL 104 3HG1 VAL 104 -6.071 5.301 -1.328 877 HG21 VAL 104 3HG2 VAL 104 -2.398 5.099 -0.653 878 HG22 VAL 104 1HG2 VAL 104 -2.464 5.685 1.010 879 HG23 VAL 104 2HG2 VAL 104 -2.703 6.804 -0.334 880 H GLU 105 H GLU 105 -7.107 8.126 0.730 881 HA GLU 105 HA GLU 105 -9.157 6.007 1.088 882 HB2 GLU 105 2HB GLU 105 -9.122 7.452 3.084 883 HB3 GLU 105 3HB GLU 105 -9.303 8.891 2.082 884 HG2 GLU 105 2HG GLU 105 -11.540 8.135 1.365 885 HG3 GLU 105 3HG GLU 105 -11.351 6.649 2.296 886 H GLY 106 H GLY 106 -10.211 5.697 -0.748 887 HA2 GLY 106 2HA GLY 106 -10.893 7.960 -2.525 888 HA3 GLY 106 3HA GLY 106 -10.017 6.580 -3.178 889 H GLN 107 H GLN 107 -12.323 7.159 -4.361 890 HA GLN 107 HA GLN 107 -14.551 5.694 -3.254 891 HB2 GLN 107 2HB GLN 107 -14.948 7.652 -4.729 892 HB3 GLN 107 3HB GLN 107 -14.183 6.812 -6.076 893 HG2 GLN 107 2HG GLN 107 -15.969 5.092 -6.026 894 HG3 GLN 107 3HG GLN 107 -16.712 5.900 -4.647 895 HE21 GLN 107 1HE2 GLN 107 -18.663 6.169 -5.745 896 HE22 GLN 107 2HE2 GLN 107 -18.857 7.310 -7.028 897 H LEU 108 H LEU 108 -14.563 3.524 -3.213 898 HA LEU 108 HA LEU 108 -13.430 1.936 -5.404 899 HB2 LEU 108 2HB LEU 108 -13.242 1.145 -3.021 900 HB3 LEU 108 3HB LEU 108 -14.990 1.002 -2.966 901 HG LEU 108 HG LEU 108 -14.857 -0.689 -4.832 902 HD11 LEU 108 1HD1 LEU 108 -11.864 -0.519 -4.375 903 HD12 LEU 108 2HD1 LEU 108 -12.741 -0.048 -5.833 904 HD13 LEU 108 3HD1 LEU 108 -12.691 -1.734 -5.348 905 HD21 LEU 108 3HD2 LEU 108 -13.380 -1.371 -2.279 906 HD22 LEU 108 1HD2 LEU 108 -14.080 -2.533 -3.408 907 HD23 LEU 108 2HD2 LEU 108 -15.126 -1.415 -2.541 908 H GLU 109 H GLU 109 -14.703 0.670 -6.773 909 HA GLU 109 HA GLU 109 -16.403 -0.031 -8.045 910 HB2 GLU 109 2HB GLU 109 -17.449 -0.598 -5.787 911 HB3 GLU 109 3HB GLU 109 -18.355 0.906 -5.893 912 HG2 GLU 109 2HG GLU 109 -19.549 0.129 -7.846 913 HG3 GLU 109 3HG GLU 109 -18.516 -1.292 -7.979 914 H GLY 110 H GLY 110 -15.564 2.971 -7.696 915 HA2 GLY 110 2HA GLY 110 -17.706 4.489 -8.912 916 HA3 GLY 110 3HA GLY 110 -16.050 5.016 -8.643 917 H VAL 111 H VAL 111 -14.501 3.360 -10.002 918 HA VAL 111 HA VAL 111 -15.029 4.034 -12.786 919 HB VAL 111 HB VAL 111 -12.746 3.265 -13.254 920 HG11 VAL 111 1HG1 VAL 111 -13.022 5.545 -12.392 921 HG12 VAL 111 2HG1 VAL 111 -11.486 4.862 -11.862 922 HG13 VAL 111 3HG1 VAL 111 -12.841 4.964 -10.734 923 HG21 VAL 111 3HG2 VAL 111 -11.247 2.388 -11.483 924 HG22 VAL 111 1HG2 VAL 111 -12.612 1.305 -11.766 925 HG23 VAL 111 2HG2 VAL 111 -12.600 2.354 -10.349 926 H ASP 112 H ASP 112 -15.664 1.383 -10.811 927 HA ASP 112 HA ASP 112 -16.166 -0.442 -13.058 928 HB2 ASP 112 2HB ASP 112 -13.901 -1.029 -12.321 929 HB3 ASP 112 3HB ASP 112 -14.417 -1.087 -10.643 930 H LEU 113 H LEU 113 -18.323 -0.488 -12.796 931 HA LEU 113 HA LEU 113 -19.604 -0.142 -10.234 932 HB2 LEU 113 2HB LEU 113 -20.844 -0.747 -12.953 933 HB3 LEU 113 3HB LEU 113 -21.703 -0.167 -11.533 934 HG LEU 113 HG LEU 113 -19.602 1.403 -13.081 935 HD11 LEU 113 1HD1 LEU 113 -22.609 1.771 -13.033 936 HD12 LEU 113 2HD1 LEU 113 -21.650 1.144 -14.378 937 HD13 LEU 113 3HD1 LEU 113 -21.442 2.815 -13.857 938 HD21 LEU 113 3HD2 LEU 113 -20.263 3.338 -11.718 939 HD22 LEU 113 1HD2 LEU 113 -19.587 2.049 -10.725 940 HD23 LEU 113 2HD2 LEU 113 -21.333 2.313 -10.757 941 H GLU 114 H GLU 114 -19.537 -2.743 -12.690 942 HA GLU 114 HA GLU 114 -21.286 -4.456 -11.145 943 HB2 GLU 114 2HB GLU 114 -19.872 -4.943 -13.799 944 HB3 GLU 114 3HB GLU 114 -21.052 -6.031 -13.064 945 HG2 GLU 114 2HG GLU 114 -22.687 -4.062 -13.110 946 HG3 GLU 114 3HG GLU 114 -21.521 -3.242 -14.149 947 H HIS 115 H HIS 115 -20.245 -5.068 -9.309 948 HA HIS 115 HA HIS 115 -17.933 -6.907 -9.543 949 HB2 HIS 115 2HB HIS 115 -19.094 -5.454 -7.122 950 HB3 HIS 115 3HB HIS 115 -17.796 -6.642 -7.029 951 HD1 HIS 115 HD1 HIS 115 -17.818 -3.370 -6.471 952 HD2 HIS 115 HD2 HIS 115 -15.926 -5.503 -9.494 953 HE1 HIS 115 HE1 HIS 115 -15.871 -1.955 -7.191 954 HE2 HIS 115 HE2 HIS 115 -14.868 -3.187 -9.128 955 H HIS 116 H HIS 116 -21.344 -6.832 -9.092 956 HA HIS 116 HA HIS 116 -21.665 -9.372 -7.792 957 HB2 HIS 116 2HB HIS 116 -23.604 -7.813 -9.565 958 HB3 HIS 116 3HB HIS 116 -24.031 -9.262 -8.660 959 HD1 HIS 116 HD1 HIS 116 -23.916 -9.036 -5.998 960 HD2 HIS 116 HD2 HIS 116 -23.783 -5.471 -8.122 961 HE1 HIS 116 HE1 HIS 116 -24.434 -7.235 -4.328 962 HE2 HIS 116 HE2 HIS 116 -24.587 -5.137 -5.700 963 H HIS 117 H HIS 117 -22.221 -8.375 -11.187 964 HA HIS 117 HA HIS 117 -21.737 -11.047 -12.210 965 HB2 HIS 117 2HB HIS 117 -22.268 -8.382 -13.607 966 HB3 HIS 117 3HB HIS 117 -21.959 -9.880 -14.479 967 HD1 HIS 117 HD1 HIS 117 -24.090 -10.784 -15.342 968 HD2 HIS 117 HD2 HIS 117 -24.604 -9.037 -11.605 969 HE1 HIS 117 HE1 HIS 117 -26.523 -11.066 -14.789 970 HE2 HIS 117 HE2 HIS 117 -26.756 -10.176 -12.448 971 H HIS 118 H HIS 118 -19.654 -11.399 -11.381 972 HA HIS 118 HA HIS 118 -17.491 -10.434 -13.078 973 HB2 HIS 118 2HB HIS 118 -17.421 -8.843 -11.173 974 HB3 HIS 118 3HB HIS 118 -17.349 -10.185 -10.036 975 HD1 HIS 118 HD1 HIS 118 -15.080 -11.497 -9.888 976 HD2 HIS 118 HD2 HIS 118 -14.993 -8.237 -12.453 977 HE1 HIS 118 HE1 HIS 118 -12.660 -11.124 -10.438 978 HE2 HIS 118 HE2 HIS 118 -12.667 -9.293 -12.142 979 H HIS 119 H HIS 119 -17.657 -12.578 -13.878 980 HA HIS 119 HA HIS 119 -15.912 -14.430 -12.432 981 HB2 HIS 119 2HB HIS 119 -18.679 -15.243 -13.453 982 HB3 HIS 119 3HB HIS 119 -17.409 -16.417 -13.130 983 HD1 HIS 119 HD1 HIS 119 -20.296 -15.118 -11.581 984 HD2 HIS 119 HD2 HIS 119 -16.467 -15.977 -10.218 985 HE1 HIS 119 HE1 HIS 119 -20.487 -15.271 -9.082 986 HE2 HIS 119 HE2 HIS 119 -18.202 -16.002 -8.315 987 H HIS 120 H HIS 120 -15.574 -12.614 -14.659 988 HA HIS 120 HA HIS 120 -15.310 -14.238 -17.070 989 HB2 HIS 120 2HB HIS 120 -15.895 -11.807 -17.176 990 HB3 HIS 120 3HB HIS 120 -14.336 -11.404 -16.474 991 HD1 HIS 120 HD1 HIS 120 -15.914 -12.635 -19.662 992 HD2 HIS 120 HD2 HIS 120 -12.210 -11.330 -18.296 993 HE1 HIS 120 HE1 HIS 120 -14.528 -12.245 -21.720 994 HE2 HIS 120 HE2 HIS 120 -12.246 -11.635 -20.855 Start of MODEL 15 1 H1 MET 1 1H MET 1 23.729 -8.042 -3.617 2 H2 MET 1 2H MET 1 25.220 -8.365 -2.895 3 H3 MET 1 3H MET 1 24.720 -6.770 -3.133 4 HA MET 1 HA MET 1 23.369 -8.723 -1.374 5 HB2 MET 1 2HB MET 1 25.192 -6.385 -0.651 6 HB3 MET 1 3HB MET 1 24.318 -7.375 0.512 7 HG2 MET 1 2HG MET 1 25.634 -9.336 -0.148 8 HG3 MET 1 3HG MET 1 26.490 -8.365 -1.353 9 HE1 MET 1 3HE MET 1 28.019 -10.093 0.836 10 HE2 MET 1 1HE MET 1 29.229 -8.957 1.426 11 HE3 MET 1 2HE MET 1 28.894 -9.064 -0.302 12 H SER 2 H SER 2 22.480 -6.663 -3.538 13 HA SER 2 HA SER 2 20.912 -4.721 -2.066 14 HB2 SER 2 2HB SER 2 20.876 -5.489 -5.023 15 HB3 SER 2 3HB SER 2 20.076 -4.083 -4.317 16 HG SER 2 HG SER 2 22.649 -4.110 -3.576 17 H GLY 3 H GLY 3 19.106 -5.381 -0.990 18 HA2 GLY 3 2HA GLY 3 16.857 -6.527 -2.156 19 HA3 GLY 3 3HA GLY 3 17.766 -7.858 -1.448 20 H LYS 4 H LYS 4 15.440 -5.518 -0.849 21 HA LYS 4 HA LYS 4 15.790 -5.631 2.090 22 HB2 LYS 4 2HB LYS 4 14.186 -3.664 0.383 23 HB3 LYS 4 3HB LYS 4 14.178 -3.685 2.144 24 HG2 LYS 4 2HG LYS 4 16.532 -3.046 0.346 25 HG3 LYS 4 3HG LYS 4 15.633 -1.923 1.372 26 HD2 LYS 4 2HD LYS 4 16.380 -3.324 3.364 27 HD3 LYS 4 3HD LYS 4 17.445 -4.194 2.261 28 HE2 LYS 4 2HE LYS 4 18.712 -2.497 3.413 29 HE3 LYS 4 3HE LYS 4 18.563 -2.022 1.721 30 HZ1 LYS 4 3HZ LYS 4 16.830 -0.476 2.320 31 HZ2 LYS 4 1HZ LYS 4 18.188 -0.176 3.282 32 HZ3 LYS 4 2HZ LYS 4 16.860 -0.989 3.929 33 H LYS 5 H LYS 5 14.467 -6.935 3.187 34 HA LYS 5 HA LYS 5 11.860 -7.791 2.158 35 HB2 LYS 5 2HB LYS 5 13.397 -9.391 3.368 36 HB3 LYS 5 3HB LYS 5 13.234 -8.422 4.819 37 HG2 LYS 5 2HG LYS 5 10.770 -9.614 3.533 38 HG3 LYS 5 3HG LYS 5 11.820 -10.633 4.508 39 HD2 LYS 5 2HD LYS 5 10.404 -8.113 5.478 40 HD3 LYS 5 3HD LYS 5 9.911 -9.773 5.817 41 HE2 LYS 5 2HE LYS 5 12.082 -10.142 7.010 42 HE3 LYS 5 3HE LYS 5 12.493 -8.445 6.738 43 HZ1 LYS 5 3HZ LYS 5 10.152 -9.433 8.282 44 HZ2 LYS 5 1HZ LYS 5 10.549 -7.809 8.042 45 HZ3 LYS 5 2HZ LYS 5 11.570 -8.804 8.947 46 H VAL 6 H VAL 6 10.436 -6.144 2.237 47 HA VAL 6 HA VAL 6 10.219 -4.400 4.616 48 HB VAL 6 HB VAL 6 10.293 -3.010 2.673 49 HG11 VAL 6 1HG1 VAL 6 8.271 -4.837 1.317 50 HG12 VAL 6 2HG1 VAL 6 9.992 -4.729 0.943 51 HG13 VAL 6 3HG1 VAL 6 8.937 -3.350 0.632 52 HG21 VAL 6 3HG2 VAL 6 8.467 -2.341 4.168 53 HG22 VAL 6 1HG2 VAL 6 7.335 -3.367 3.283 54 HG23 VAL 6 2HG2 VAL 6 8.065 -1.966 2.491 55 H GLU 7 H GLU 7 8.365 -4.357 5.809 56 HA GLU 7 HA GLU 7 6.265 -6.376 5.288 57 HB2 GLU 7 2HB GLU 7 7.067 -5.107 7.948 58 HB3 GLU 7 3HB GLU 7 5.848 -6.358 7.719 59 HG2 GLU 7 2HG GLU 7 7.550 -7.959 7.021 60 HG3 GLU 7 3HG GLU 7 8.789 -6.708 7.080 61 H VAL 8 H VAL 8 4.486 -5.512 4.536 62 HA VAL 8 HA VAL 8 4.008 -2.608 4.649 63 HB VAL 8 HB VAL 8 2.899 -4.750 2.760 64 HG11 VAL 8 1HG1 VAL 8 2.559 -1.733 2.610 65 HG12 VAL 8 2HG1 VAL 8 1.292 -2.906 2.976 66 HG13 VAL 8 3HG1 VAL 8 2.041 -2.887 1.379 67 HG21 VAL 8 3HG2 VAL 8 4.382 -3.764 1.054 68 HG22 VAL 8 1HG2 VAL 8 5.313 -4.360 2.433 69 HG23 VAL 8 2HG2 VAL 8 5.017 -2.628 2.248 70 H GLN 9 H GLN 9 2.571 -1.992 6.200 71 HA GLN 9 HA GLN 9 0.580 -3.827 7.298 72 HB2 GLN 9 2HB GLN 9 1.152 -0.891 7.967 73 HB3 GLN 9 3HB GLN 9 0.026 -1.929 8.835 74 HG2 GLN 9 2HG GLN 9 1.927 -3.341 9.565 75 HG3 GLN 9 3HG GLN 9 3.033 -2.263 8.710 76 HE21 GLN 9 1HE2 GLN 9 4.131 -1.720 10.650 77 HE22 GLN 9 2HE2 GLN 9 3.428 -0.701 11.851 78 H VAL 10 H VAL 10 -0.989 -4.076 5.670 79 HA VAL 10 HA VAL 10 -2.226 -1.658 4.531 80 HB VAL 10 HB VAL 10 -2.872 -4.601 3.972 81 HG11 VAL 10 1HG1 VAL 10 -4.174 -3.747 2.039 82 HG12 VAL 10 2HG1 VAL 10 -3.844 -2.088 2.544 83 HG13 VAL 10 3HG1 VAL 10 -4.823 -3.142 3.567 84 HG21 VAL 10 3HG2 VAL 10 -1.705 -4.250 1.817 85 HG22 VAL 10 1HG2 VAL 10 -0.615 -4.009 3.186 86 HG23 VAL 10 2HG2 VAL 10 -1.265 -2.616 2.317 87 H LYS 11 H LYS 11 -3.676 -0.729 5.752 88 HA LYS 11 HA LYS 11 -5.528 -2.318 7.446 89 HB2 LYS 11 2HB LYS 11 -3.843 -1.011 8.740 90 HB3 LYS 11 3HB LYS 11 -4.341 0.460 7.931 91 HG2 LYS 11 2HG LYS 11 -6.505 0.406 9.000 92 HG3 LYS 11 3HG LYS 11 -6.194 -1.196 9.670 93 HD2 LYS 11 2HD LYS 11 -5.936 0.449 11.433 94 HD3 LYS 11 3HD LYS 11 -4.354 -0.226 11.059 95 HE2 LYS 11 2HE LYS 11 -5.313 2.421 9.925 96 HE3 LYS 11 3HE LYS 11 -4.471 2.296 11.464 97 HZ1 LYS 11 3HZ LYS 11 -2.570 1.339 10.298 98 HZ2 LYS 11 1HZ LYS 11 -2.956 2.874 9.709 99 HZ3 LYS 11 2HZ LYS 11 -3.374 1.502 8.822 100 H ILE 12 H ILE 12 -7.377 -2.336 6.277 101 HA ILE 12 HA ILE 12 -8.277 0.166 4.958 102 HB ILE 12 HB ILE 12 -7.527 -1.349 3.209 103 HG12 ILE 12 2HG1 ILE 12 -10.580 -1.241 3.285 104 HG13 ILE 12 3HG1 ILE 12 -9.528 0.072 2.771 105 HG21 ILE 12 1HG2 ILE 12 -7.707 -3.511 4.365 106 HG22 ILE 12 2HG2 ILE 12 -8.507 -3.568 2.794 107 HG23 ILE 12 3HG2 ILE 12 -9.469 -3.430 4.268 108 HD11 ILE 12 3HD1 ILE 12 -8.762 -1.295 0.888 109 HD12 ILE 12 1HD1 ILE 12 -10.505 -1.036 0.876 110 HD13 ILE 12 2HD1 ILE 12 -9.853 -2.591 1.393 111 H THR 13 H THR 13 -10.171 0.877 5.624 112 HA THR 13 HA THR 13 -12.017 -0.861 7.107 113 HB THR 13 HB THR 13 -11.931 2.187 6.969 114 HG1 THR 13 HG1 THR 13 -10.235 1.708 8.221 115 HG21 THR 13 3HG2 THR 13 -13.480 2.117 8.885 116 HG22 THR 13 1HG2 THR 13 -13.524 0.354 8.810 117 HG23 THR 13 2HG2 THR 13 -14.198 1.312 7.489 118 H CYS 14 H CYS 14 -13.585 -1.680 5.930 119 HA CYS 14 HA CYS 14 -15.142 -0.006 4.076 120 HB2 CYS 14 2HB CYS 14 -13.635 -1.354 2.677 121 HB3 CYS 14 3HB CYS 14 -14.185 -2.827 3.469 122 H ASN 15 H ASN 15 -17.266 -0.192 4.378 123 HA ASN 15 HA ASN 15 -19.344 -0.881 4.950 124 HB2 ASN 15 2HB ASN 15 -18.602 -3.058 3.859 125 HB3 ASN 15 3HB ASN 15 -18.159 -3.656 5.454 126 HD21 ASN 15 1HD2 ASN 15 -19.632 -5.329 5.499 127 HD22 ASN 15 2HD2 ASN 15 -21.345 -5.097 5.524 128 H GLY 16 H GLY 16 -17.497 0.262 6.860 129 HA2 GLY 16 2HA GLY 16 -17.728 0.977 9.054 130 HA3 GLY 16 3HA GLY 16 -18.918 -0.280 9.339 131 H LYS 17 H LYS 17 -16.419 -1.865 7.940 132 HA LYS 17 HA LYS 17 -15.444 -2.845 10.551 133 HB2 LYS 17 2HB LYS 17 -15.507 -4.220 7.826 134 HB3 LYS 17 3HB LYS 17 -14.939 -4.937 9.333 135 HG2 LYS 17 2HG LYS 17 -17.243 -4.768 10.263 136 HG3 LYS 17 3HG LYS 17 -17.796 -4.100 8.719 137 HD2 LYS 17 2HD LYS 17 -18.276 -6.522 8.833 138 HD3 LYS 17 3HD LYS 17 -17.100 -6.176 7.560 139 HE2 LYS 17 2HE LYS 17 -15.275 -6.792 9.238 140 HE3 LYS 17 3HE LYS 17 -16.558 -7.361 10.306 141 HZ1 LYS 17 3HZ LYS 17 -15.570 -9.145 9.003 142 HZ2 LYS 17 1HZ LYS 17 -16.030 -8.378 7.566 143 HZ3 LYS 17 2HZ LYS 17 -17.207 -8.955 8.627 144 H THR 18 H THR 18 -13.308 -2.661 11.001 145 HA THR 18 HA THR 18 -11.434 -1.689 8.943 146 HB THR 18 HB THR 18 -11.061 -1.938 11.974 147 HG1 THR 18 HG1 THR 18 -11.520 0.316 10.288 148 HG21 THR 18 3HG2 THR 18 -9.012 -0.602 11.665 149 HG22 THR 18 1HG2 THR 18 -9.252 -0.602 9.919 150 HG23 THR 18 2HG2 THR 18 -8.892 -2.115 10.759 151 H TYR 19 H TYR 19 -10.022 -3.043 8.080 152 HA TYR 19 HA TYR 19 -9.328 -5.616 9.379 153 HB2 TYR 19 2HB TYR 19 -9.179 -4.884 6.399 154 HB3 TYR 19 3HB TYR 19 -8.785 -6.449 7.103 155 HD1 TYR 19 HD1 TYR 19 -10.599 -7.955 7.913 156 HD2 TYR 19 HD2 TYR 19 -11.515 -4.240 6.002 157 HE1 TYR 19 HE1 TYR 19 -12.914 -8.701 7.569 158 HE2 TYR 19 HE2 TYR 19 -13.835 -4.987 5.662 159 HH TYR 19 HH TYR 19 -15.052 -7.160 5.470 160 H GLU 20 H GLU 20 -7.108 -5.996 9.615 161 HA GLU 20 HA GLU 20 -5.165 -4.255 8.330 162 HB2 GLU 20 2HB GLU 20 -3.994 -3.633 10.376 163 HB3 GLU 20 3HB GLU 20 -5.636 -3.025 10.407 164 HG2 GLU 20 2HG GLU 20 -4.655 -5.462 11.928 165 HG3 GLU 20 3HG GLU 20 -4.845 -3.849 12.608 166 H ARG 21 H ARG 21 -3.429 -5.342 7.745 167 HA ARG 21 HA ARG 21 -2.428 -7.678 9.129 168 HB2 ARG 21 2HB ARG 21 -4.156 -8.702 7.664 169 HB3 ARG 21 3HB ARG 21 -3.459 -7.907 6.256 170 HG2 ARG 21 2HG ARG 21 -1.393 -9.234 6.517 171 HG3 ARG 21 3HG ARG 21 -2.065 -10.014 7.951 172 HD2 ARG 21 2HD ARG 21 -3.796 -11.086 6.611 173 HD3 ARG 21 3HD ARG 21 -3.280 -10.198 5.169 174 HE ARG 21 HE ARG 21 -1.208 -11.811 6.377 175 HH11 ARG 21 1HH1 ARG 21 -3.865 -11.890 4.062 176 HH12 ARG 21 2HH1 ARG 21 -3.208 -13.234 3.192 177 HH21 ARG 21 1HH2 ARG 21 -0.335 -13.525 5.177 178 HH22 ARG 21 2HH2 ARG 21 -1.213 -14.158 3.824 179 H THR 22 H THR 22 -0.257 -7.782 8.879 180 HA THR 22 HA THR 22 1.067 -5.861 7.077 181 HB THR 22 HB THR 22 2.288 -7.384 9.428 182 HG1 THR 22 HG1 THR 22 0.421 -5.763 9.793 183 HG21 THR 22 3HG2 THR 22 3.951 -6.468 7.855 184 HG22 THR 22 1HG2 THR 22 3.966 -5.544 9.360 185 HG23 THR 22 2HG2 THR 22 3.172 -4.885 7.929 186 H TYR 23 H TYR 23 1.920 -6.660 5.241 187 HA TYR 23 HA TYR 23 2.206 -9.564 4.847 188 HB2 TYR 23 2HB TYR 23 2.121 -7.288 2.799 189 HB3 TYR 23 3HB TYR 23 2.164 -9.004 2.417 190 HD1 TYR 23 HD1 TYR 23 0.073 -6.399 4.104 191 HD2 TYR 23 HD2 TYR 23 0.116 -10.231 2.204 192 HE1 TYR 23 HE1 TYR 23 -2.377 -6.433 4.121 193 HE2 TYR 23 HE2 TYR 23 -2.345 -10.261 2.224 194 HH TYR 23 HH TYR 23 -4.200 -9.229 3.422 195 H GLN 24 H GLN 24 4.135 -10.486 4.518 196 HA GLN 24 HA GLN 24 6.577 -8.838 4.715 197 HB2 GLN 24 2HB GLN 24 6.102 -11.837 5.057 198 HB3 GLN 24 3HB GLN 24 7.709 -11.121 5.031 199 HG2 GLN 24 2HG GLN 24 7.072 -11.472 7.330 200 HG3 GLN 24 3HG GLN 24 7.099 -9.740 7.016 201 HE21 GLN 24 1HE2 GLN 24 5.705 -9.198 8.687 202 HE22 GLN 24 2HE2 GLN 24 4.027 -9.612 8.695 203 H LEU 25 H LEU 25 7.339 -8.172 2.845 204 HA LEU 25 HA LEU 25 7.163 -9.823 0.390 205 HB2 LEU 25 2HB LEU 25 6.935 -6.784 0.639 206 HB3 LEU 25 3HB LEU 25 6.913 -7.681 -0.870 207 HG LEU 25 HG LEU 25 4.775 -7.808 1.297 208 HD11 LEU 25 1HD1 LEU 25 4.678 -6.494 -1.439 209 HD12 LEU 25 2HD1 LEU 25 4.759 -5.665 0.118 210 HD13 LEU 25 3HD1 LEU 25 3.338 -6.621 -0.292 211 HD21 LEU 25 3HD2 LEU 25 4.842 -9.164 -1.423 212 HD22 LEU 25 1HD2 LEU 25 3.455 -9.124 -0.327 213 HD23 LEU 25 2HD2 LEU 25 4.931 -9.956 0.155 214 H TYR 26 H TYR 26 9.251 -10.517 0.082 215 HA TYR 26 HA TYR 26 11.518 -8.705 0.524 216 HB2 TYR 26 2HB TYR 26 11.782 -11.041 1.286 217 HB3 TYR 26 3HB TYR 26 11.459 -11.640 -0.340 218 HD1 TYR 26 HD1 TYR 26 13.824 -9.428 1.554 219 HD2 TYR 26 HD2 TYR 26 13.323 -11.996 -1.829 220 HE1 TYR 26 HE1 TYR 26 16.201 -9.191 1.031 221 HE2 TYR 26 HE2 TYR 26 15.724 -11.760 -2.351 222 HH TYR 26 HH TYR 26 17.948 -10.359 -0.154 223 H ALA 27 H ALA 27 12.608 -7.692 -1.108 224 HA ALA 27 HA ALA 27 12.312 -8.533 -3.905 225 HB1 ALA 27 3HB ALA 27 10.509 -6.903 -3.657 226 HB2 ALA 27 1HB ALA 27 11.794 -6.212 -4.648 227 HB3 ALA 27 2HB ALA 27 11.621 -5.726 -2.957 228 H VAL 28 H VAL 28 14.003 -7.914 -5.207 229 HA VAL 28 HA VAL 28 16.517 -7.198 -3.998 230 HB VAL 28 HB VAL 28 15.763 -7.551 -6.940 231 HG11 VAL 28 1HG1 VAL 28 17.793 -6.179 -6.742 232 HG12 VAL 28 2HG1 VAL 28 18.184 -7.771 -7.392 233 HG13 VAL 28 3HG1 VAL 28 18.540 -7.399 -5.705 234 HG21 VAL 28 3HG2 VAL 28 16.789 -9.791 -6.767 235 HG22 VAL 28 1HG2 VAL 28 15.437 -9.623 -5.644 236 HG23 VAL 28 2HG2 VAL 28 17.096 -9.530 -5.047 237 H ARG 29 H ARG 29 14.528 -5.725 -6.581 238 HA ARG 29 HA ARG 29 15.615 -3.039 -5.999 239 HB2 ARG 29 2HB ARG 29 13.875 -3.944 -8.342 240 HB3 ARG 29 3HB ARG 29 14.641 -2.370 -8.158 241 HG2 ARG 29 2HG ARG 29 16.862 -3.418 -8.390 242 HG3 ARG 29 3HG ARG 29 16.100 -5.006 -8.539 243 HD2 ARG 29 2HD ARG 29 14.919 -4.227 -10.582 244 HD3 ARG 29 3HD ARG 29 15.733 -2.664 -10.445 245 HE ARG 29 HE ARG 29 17.586 -4.847 -10.547 246 HH11 ARG 29 1HH1 ARG 29 15.578 -2.767 -12.583 247 HH12 ARG 29 2HH1 ARG 29 16.559 -3.006 -13.994 248 HH21 ARG 29 1HH2 ARG 29 18.810 -5.210 -12.445 249 HH22 ARG 29 2HH2 ARG 29 18.385 -4.388 -13.914 250 H ASP 30 H ASP 30 14.049 -1.240 -5.970 251 HA ASP 30 HA ASP 30 11.637 -1.680 -4.507 252 HB2 ASP 30 2HB ASP 30 11.220 0.783 -4.958 253 HB3 ASP 30 3HB ASP 30 12.752 0.417 -4.178 254 H GLU 31 H GLU 31 12.415 -1.486 -7.905 255 HA GLU 31 HA GLU 31 9.886 -1.099 -9.084 256 HB2 GLU 31 2HB GLU 31 12.160 -2.801 -10.194 257 HB3 GLU 31 3HB GLU 31 10.847 -2.076 -11.120 258 HG2 GLU 31 2HG GLU 31 11.743 0.186 -10.469 259 HG3 GLU 31 3HG GLU 31 13.120 -0.635 -9.729 260 H GLU 32 H GLU 32 11.473 -3.964 -7.822 261 HA GLU 32 HA GLU 32 9.686 -5.906 -8.899 262 HB2 GLU 32 2HB GLU 32 11.404 -6.252 -6.413 263 HB3 GLU 32 3HB GLU 32 10.822 -7.505 -7.500 264 HG2 GLU 32 2HG GLU 32 12.952 -5.436 -8.055 265 HG3 GLU 32 3HG GLU 32 13.185 -7.166 -7.846 266 H LEU 33 H LEU 33 9.702 -3.889 -6.040 267 HA LEU 33 HA LEU 33 7.742 -5.386 -4.560 268 HB2 LEU 33 2HB LEU 33 9.624 -3.530 -3.824 269 HB3 LEU 33 3HB LEU 33 8.212 -2.500 -3.866 270 HG LEU 33 HG LEU 33 8.661 -3.321 -1.583 271 HD11 LEU 33 1HD1 LEU 33 6.484 -4.192 -0.938 272 HD12 LEU 33 2HD1 LEU 33 6.105 -4.566 -2.622 273 HD13 LEU 33 3HD1 LEU 33 6.316 -2.889 -2.114 274 HD21 LEU 33 3HD2 LEU 33 8.426 -5.702 -0.978 275 HD22 LEU 33 1HD2 LEU 33 9.772 -5.420 -2.078 276 HD23 LEU 33 2HD2 LEU 33 8.272 -6.117 -2.686 277 H LYS 34 H LYS 34 7.602 -2.962 -7.066 278 HA LYS 34 HA LYS 34 5.147 -1.702 -6.593 279 HB2 LYS 34 2HB LYS 34 6.360 -2.447 -9.294 280 HB3 LYS 34 3HB LYS 34 5.035 -1.308 -9.062 281 HG2 LYS 34 2HG LYS 34 6.535 0.174 -7.772 282 HG3 LYS 34 3HG LYS 34 7.862 -0.968 -8.014 283 HD2 LYS 34 2HD LYS 34 8.042 0.878 -9.621 284 HD3 LYS 34 3HD LYS 34 7.697 -0.629 -10.472 285 HE2 LYS 34 2HE LYS 34 5.283 0.035 -10.577 286 HE3 LYS 34 3HE LYS 34 5.707 1.567 -9.811 287 HZ1 LYS 34 3HZ LYS 34 7.151 2.048 -11.711 288 HZ2 LYS 34 1HZ LYS 34 5.551 1.821 -12.190 289 HZ3 LYS 34 2HZ LYS 34 6.687 0.601 -12.447 290 H GLU 35 H GLU 35 5.757 -4.553 -8.690 291 HA GLU 35 HA GLU 35 3.076 -5.158 -9.211 292 HB2 GLU 35 2HB GLU 35 3.921 -7.385 -10.017 293 HB3 GLU 35 3HB GLU 35 4.765 -6.000 -10.687 294 HG2 GLU 35 2HG GLU 35 6.513 -7.446 -10.299 295 HG3 GLU 35 3HG GLU 35 6.546 -6.483 -8.825 296 H LYS 36 H LYS 36 5.080 -6.014 -6.464 297 HA LYS 36 HA LYS 36 3.445 -8.118 -5.433 298 HB2 LYS 36 2HB LYS 36 5.394 -6.327 -3.905 299 HB3 LYS 36 3HB LYS 36 4.751 -7.878 -3.353 300 HG2 LYS 36 2HG LYS 36 5.856 -8.988 -5.282 301 HG3 LYS 36 3HG LYS 36 6.545 -7.433 -5.751 302 HD2 LYS 36 2HD LYS 36 7.707 -7.366 -3.507 303 HD3 LYS 36 3HD LYS 36 7.128 -9.012 -3.218 304 HE2 LYS 36 2HE LYS 36 8.977 -8.098 -5.448 305 HE3 LYS 36 3HE LYS 36 9.409 -9.095 -4.061 306 HZ1 LYS 36 3HZ LYS 36 9.114 -10.451 -6.012 307 HZ2 LYS 36 1HZ LYS 36 7.547 -9.850 -6.247 308 HZ3 LYS 36 2HZ LYS 36 7.892 -10.805 -4.897 309 H LEU 37 H LEU 37 3.646 -4.626 -4.788 310 HA LEU 37 HA LEU 37 1.621 -4.423 -2.853 311 HB2 LEU 37 2HB LEU 37 2.568 -2.406 -4.923 312 HB3 LEU 37 3HB LEU 37 1.426 -2.009 -3.646 313 HG LEU 37 HG LEU 37 4.284 -2.951 -3.198 314 HD11 LEU 37 1HD1 LEU 37 4.227 -0.718 -4.174 315 HD12 LEU 37 2HD1 LEU 37 4.750 -0.655 -2.494 316 HD13 LEU 37 3HD1 LEU 37 3.105 -0.176 -2.924 317 HD21 LEU 37 3HD2 LEU 37 2.219 -1.981 -1.187 318 HD22 LEU 37 1HD2 LEU 37 3.911 -2.351 -0.836 319 HD23 LEU 37 2HD2 LEU 37 2.821 -3.634 -1.354 320 H LYS 38 H LYS 38 1.437 -4.308 -6.436 321 HA LYS 38 HA LYS 38 -1.334 -3.898 -6.658 322 HB2 LYS 38 2HB LYS 38 0.578 -5.338 -8.547 323 HB3 LYS 38 3HB LYS 38 -1.052 -4.820 -8.979 324 HG2 LYS 38 2HG LYS 38 -0.438 -2.479 -8.632 325 HG3 LYS 38 3HG LYS 38 1.170 -2.955 -8.084 326 HD2 LYS 38 2HD LYS 38 1.618 -3.903 -10.365 327 HD3 LYS 38 3HD LYS 38 0.037 -3.313 -10.890 328 HE2 LYS 38 2HE LYS 38 0.734 -0.999 -10.442 329 HE3 LYS 38 3HE LYS 38 2.293 -1.566 -9.838 330 HZ1 LYS 38 3HZ LYS 38 2.510 -0.796 -12.089 331 HZ2 LYS 38 1HZ LYS 38 1.286 -1.835 -12.624 332 HZ3 LYS 38 2HZ LYS 38 2.745 -2.471 -12.063 333 H LYS 39 H LYS 39 0.544 -6.940 -6.315 334 HA LYS 39 HA LYS 39 -1.606 -8.767 -6.557 335 HB2 LYS 39 2HB LYS 39 0.856 -9.128 -4.780 336 HB3 LYS 39 3HB LYS 39 -0.227 -10.406 -5.315 337 HG2 LYS 39 2HG LYS 39 1.681 -8.798 -7.023 338 HG3 LYS 39 3HG LYS 39 1.836 -10.493 -6.573 339 HD2 LYS 39 2HD LYS 39 -0.184 -11.029 -7.916 340 HD3 LYS 39 3HD LYS 39 -0.345 -9.323 -8.354 341 HE2 LYS 39 2HE LYS 39 1.973 -11.153 -9.090 342 HE3 LYS 39 3HE LYS 39 0.716 -10.568 -10.181 343 HZ1 LYS 39 3HZ LYS 39 1.513 -8.292 -9.734 344 HZ2 LYS 39 1HZ LYS 39 2.690 -9.268 -10.463 345 HZ3 LYS 39 2HZ LYS 39 2.776 -8.924 -8.808 346 H VAL 40 H VAL 40 -0.095 -7.394 -3.637 347 HA VAL 40 HA VAL 40 -1.694 -8.470 -1.654 348 HB VAL 40 HB VAL 40 -0.128 -5.847 -1.717 349 HG11 VAL 40 1HG1 VAL 40 -1.409 -7.135 0.719 350 HG12 VAL 40 2HG1 VAL 40 -1.858 -5.588 -0.002 351 HG13 VAL 40 3HG1 VAL 40 -0.277 -5.780 0.754 352 HG21 VAL 40 3HG2 VAL 40 1.233 -7.904 -1.895 353 HG22 VAL 40 1HG2 VAL 40 0.513 -8.519 -0.406 354 HG23 VAL 40 2HG2 VAL 40 1.536 -7.079 -0.363 355 H LEU 41 H LEU 41 -2.090 -5.356 -3.352 356 HA LEU 41 HA LEU 41 -4.321 -4.469 -1.847 357 HB2 LEU 41 2HB LEU 41 -3.078 -3.560 -4.458 358 HB3 LEU 41 3HB LEU 41 -4.583 -2.845 -3.904 359 HG LEU 41 HG LEU 41 -2.045 -2.849 -2.220 360 HD11 LEU 41 1HD1 LEU 41 -1.627 -1.588 -4.278 361 HD12 LEU 41 2HD1 LEU 41 -1.697 -0.524 -2.877 362 HD13 LEU 41 3HD1 LEU 41 -3.068 -0.609 -3.988 363 HD21 LEU 41 3HD2 LEU 41 -4.612 -1.237 -1.964 364 HD22 LEU 41 1HD2 LEU 41 -3.188 -1.099 -0.926 365 HD23 LEU 41 2HD2 LEU 41 -4.125 -2.590 -0.934 366 H ASN 42 H ASN 42 -4.124 -6.050 -5.093 367 HA ASN 42 HA ASN 42 -6.913 -5.991 -5.584 368 HB2 ASN 42 2HB ASN 42 -4.689 -7.724 -6.735 369 HB3 ASN 42 3HB ASN 42 -6.353 -7.827 -7.308 370 HD21 ASN 42 1HD2 ASN 42 -3.881 -6.941 -8.691 371 HD22 ASN 42 2HD2 ASN 42 -4.231 -5.363 -9.296 372 H GLU 43 H GLU 43 -4.886 -8.546 -4.097 373 HA GLU 43 HA GLU 43 -6.902 -10.506 -3.746 374 HB2 GLU 43 2HB GLU 43 -4.366 -9.968 -2.141 375 HB3 GLU 43 3HB GLU 43 -5.382 -11.382 -1.892 376 HG2 GLU 43 2HG GLU 43 -3.905 -10.697 -4.448 377 HG3 GLU 43 3HG GLU 43 -3.393 -11.883 -3.252 378 H ARG 44 H ARG 44 -5.663 -8.018 -1.563 379 HA ARG 44 HA ARG 44 -7.274 -8.550 0.687 380 HB2 ARG 44 2HB ARG 44 -5.159 -7.303 0.809 381 HB3 ARG 44 3HB ARG 44 -5.816 -6.029 -0.209 382 HG2 ARG 44 2HG ARG 44 -5.732 -5.308 2.104 383 HG3 ARG 44 3HG ARG 44 -7.407 -5.416 1.561 384 HD2 ARG 44 2HD ARG 44 -7.765 -7.447 2.804 385 HD3 ARG 44 3HD ARG 44 -6.038 -7.619 3.157 386 HE ARG 44 HE ARG 44 -7.948 -5.859 4.450 387 HH11 ARG 44 1HH1 ARG 44 -4.546 -6.666 4.033 388 HH12 ARG 44 2HH1 ARG 44 -4.058 -5.787 5.446 389 HH21 ARG 44 1HH2 ARG 44 -7.252 -4.603 6.179 390 HH22 ARG 44 2HH2 ARG 44 -5.592 -4.626 6.649 391 H MET 45 H MET 45 -7.690 -6.358 -2.074 392 HA MET 45 HA MET 45 -10.138 -5.227 -0.941 393 HB2 MET 45 2HB MET 45 -8.537 -4.420 -3.391 394 HB3 MET 45 3HB MET 45 -10.037 -3.648 -2.905 395 HG2 MET 45 2HG MET 45 -8.849 -3.179 -0.653 396 HG3 MET 45 3HG MET 45 -7.366 -3.595 -1.513 397 HE1 MET 45 3HE MET 45 -10.108 -0.059 -2.685 398 HE2 MET 45 1HE MET 45 -10.412 -1.093 -1.290 399 HE3 MET 45 2HE MET 45 -10.588 -1.738 -2.924 400 H ASP 46 H ASP 46 -9.637 -7.994 -2.559 401 HA ASP 46 HA ASP 46 -11.727 -7.811 -4.507 402 HB2 ASP 46 2HB ASP 46 -9.908 -9.519 -4.683 403 HB3 ASP 46 3HB ASP 46 -10.594 -10.372 -3.303 404 HA PRO 47 HA PRO 47 -14.632 -9.788 -1.117 405 HB2 PRO 47 2HB PRO 47 -13.874 -9.708 1.515 406 HB3 PRO 47 3HB PRO 47 -13.462 -11.074 0.455 407 HG2 PRO 47 2HG PRO 47 -11.754 -8.713 1.211 408 HG3 PRO 47 3HG PRO 47 -11.332 -10.441 1.211 409 HD2 PRO 47 2HD PRO 47 -10.618 -8.817 -0.823 410 HD3 PRO 47 3HD PRO 47 -11.074 -10.514 -1.110 411 H ILE 48 H ILE 48 -12.666 -6.982 -0.705 412 HA ILE 48 HA ILE 48 -14.466 -5.331 0.792 413 HB ILE 48 HB ILE 48 -12.094 -4.653 -0.993 414 HG12 ILE 48 2HG1 ILE 48 -11.452 -6.023 0.944 415 HG13 ILE 48 3HG1 ILE 48 -10.806 -4.400 1.111 416 HG21 ILE 48 1HG2 ILE 48 -11.999 -2.447 0.089 417 HG22 ILE 48 2HG2 ILE 48 -13.511 -2.797 0.924 418 HG23 ILE 48 3HG2 ILE 48 -13.488 -2.671 -0.832 419 HD11 ILE 48 3HD1 ILE 48 -12.573 -3.887 2.741 420 HD12 ILE 48 1HD1 ILE 48 -11.576 -5.257 3.223 421 HD13 ILE 48 2HD1 ILE 48 -13.190 -5.533 2.572 422 H LYS 49 H LYS 49 -13.937 -5.983 -2.701 423 HA LYS 49 HA LYS 49 -15.743 -4.093 -3.799 424 HB2 LYS 49 2HB LYS 49 -15.231 -6.914 -4.853 425 HB3 LYS 49 3HB LYS 49 -15.889 -5.556 -5.764 426 HG2 LYS 49 2HG LYS 49 -13.748 -4.415 -5.711 427 HG3 LYS 49 3HG LYS 49 -13.075 -5.655 -4.650 428 HD2 LYS 49 2HD LYS 49 -13.393 -7.352 -6.441 429 HD3 LYS 49 3HD LYS 49 -14.034 -6.096 -7.505 430 HE2 LYS 49 2HE LYS 49 -11.683 -6.596 -8.025 431 HE3 LYS 49 3HE LYS 49 -11.859 -4.942 -7.454 432 HZ1 LYS 49 3HZ LYS 49 -10.853 -7.248 -5.894 433 HZ2 LYS 49 1HZ LYS 49 -11.119 -5.702 -5.255 434 HZ3 LYS 49 2HZ LYS 49 -9.954 -5.934 -6.455 435 H LYS 50 H LYS 50 -16.142 -7.372 -2.538 436 HA LYS 50 HA LYS 50 -18.905 -7.724 -3.044 437 HB2 LYS 50 2HB LYS 50 -17.330 -9.575 -2.660 438 HB3 LYS 50 3HB LYS 50 -17.055 -9.055 -1.013 439 HG2 LYS 50 2HG LYS 50 -19.826 -9.897 -1.901 440 HG3 LYS 50 3HG LYS 50 -18.615 -11.117 -1.515 441 HD2 LYS 50 2HD LYS 50 -19.661 -8.970 0.373 442 HD3 LYS 50 3HD LYS 50 -20.083 -10.682 0.410 443 HE2 LYS 50 2HE LYS 50 -17.273 -9.597 0.848 444 HE3 LYS 50 3HE LYS 50 -18.393 -10.039 2.137 445 HZ1 LYS 50 3HZ LYS 50 -17.397 -11.904 0.053 446 HZ2 LYS 50 1HZ LYS 50 -18.391 -12.295 1.361 447 HZ3 LYS 50 2HZ LYS 50 -16.805 -11.797 1.629 448 H LEU 51 H LEU 51 -17.149 -6.226 -0.368 449 HA LEU 51 HA LEU 51 -19.414 -5.898 1.370 450 HB2 LEU 51 2HB LEU 51 -16.757 -4.420 1.275 451 HB3 LEU 51 3HB LEU 51 -17.964 -4.190 2.532 452 HG LEU 51 HG LEU 51 -16.409 -6.749 1.982 453 HD11 LEU 51 1HD1 LEU 51 -16.271 -4.844 4.337 454 HD12 LEU 51 2HD1 LEU 51 -15.068 -5.015 3.055 455 HD13 LEU 51 3HD1 LEU 51 -15.371 -6.355 4.157 456 HD21 LEU 51 3HD2 LEU 51 -17.498 -7.680 3.985 457 HD22 LEU 51 1HD2 LEU 51 -18.663 -7.329 2.710 458 HD23 LEU 51 2HD2 LEU 51 -18.527 -6.249 4.101 459 H GLY 52 H GLY 52 -17.977 -4.031 -1.252 460 HA2 GLY 52 2HA GLY 52 -18.977 -2.614 -2.735 461 HA3 GLY 52 3HA GLY 52 -20.508 -2.893 -1.923 462 H CYS 53 H CYS 53 -17.394 -1.347 -1.065 463 HA CYS 53 HA CYS 53 -18.789 0.861 0.225 464 HB2 CYS 53 2HB CYS 53 -15.855 0.128 0.020 465 HB3 CYS 53 3HB CYS 53 -16.430 1.592 0.815 466 H LYS 54 H LYS 54 -19.310 2.654 -0.785 467 HA LYS 54 HA LYS 54 -18.561 3.551 -3.333 468 HB2 LYS 54 2HB LYS 54 -20.571 4.393 -2.260 469 HB3 LYS 54 3HB LYS 54 -19.659 4.998 -0.885 470 HG2 LYS 54 2HG LYS 54 -20.399 6.846 -2.298 471 HG3 LYS 54 3HG LYS 54 -18.636 6.733 -2.311 472 HD2 LYS 54 2HD LYS 54 -18.766 5.541 -4.505 473 HD3 LYS 54 3HD LYS 54 -20.519 5.753 -4.494 474 HE2 LYS 54 2HE LYS 54 -20.235 8.195 -4.555 475 HE3 LYS 54 3HE LYS 54 -18.479 8.005 -4.492 476 HZ1 LYS 54 3HZ LYS 54 -18.570 6.831 -6.604 477 HZ2 LYS 54 1HZ LYS 54 -19.229 8.379 -6.744 478 HZ3 LYS 54 2HZ LYS 54 -20.247 7.035 -6.675 479 H ARG 55 H ARG 55 -17.218 4.247 -0.122 480 HA ARG 55 HA ARG 55 -14.675 4.994 -1.385 481 HB2 ARG 55 2HB ARG 55 -15.828 7.131 -0.819 482 HB3 ARG 55 3HB ARG 55 -15.961 6.620 0.861 483 HG2 ARG 55 2HG ARG 55 -13.527 6.667 1.112 484 HG3 ARG 55 3HG ARG 55 -13.324 7.030 -0.602 485 HD2 ARG 55 2HD ARG 55 -14.723 8.845 1.394 486 HD3 ARG 55 3HD ARG 55 -13.043 9.013 0.881 487 HE ARG 55 HE ARG 55 -15.021 9.044 -1.260 488 HH11 ARG 55 1HH1 ARG 55 -13.062 11.007 0.935 489 HH12 ARG 55 2HH1 ARG 55 -13.201 12.436 -0.037 490 HH21 ARG 55 1HH2 ARG 55 -15.176 10.953 -2.520 491 HH22 ARG 55 2HH2 ARG 55 -14.393 12.400 -1.984 492 H VAL 56 H VAL 56 -12.947 4.177 -0.376 493 HA VAL 56 HA VAL 56 -13.309 2.606 2.129 494 HB VAL 56 HB VAL 56 -11.354 1.205 1.321 495 HG11 VAL 56 1HG1 VAL 56 -12.641 -0.149 -0.290 496 HG12 VAL 56 2HG1 VAL 56 -13.795 1.174 -0.487 497 HG13 VAL 56 3HG1 VAL 56 -13.634 0.368 1.075 498 HG21 VAL 56 3HG2 VAL 56 -11.767 2.661 -1.327 499 HG22 VAL 56 1HG2 VAL 56 -10.715 1.264 -1.073 500 HG23 VAL 56 2HG2 VAL 56 -10.354 2.795 -0.278 501 H ARG 57 H ARG 57 -11.767 2.848 3.751 502 HA ARG 57 HA ARG 57 -9.828 5.060 3.460 503 HB2 ARG 57 2HB ARG 57 -11.431 5.149 5.399 504 HB3 ARG 57 3HB ARG 57 -10.812 3.605 5.969 505 HG2 ARG 57 2HG ARG 57 -9.794 5.291 7.315 506 HG3 ARG 57 3HG ARG 57 -8.540 4.707 6.219 507 HD2 ARG 57 2HD ARG 57 -8.386 7.111 6.364 508 HD3 ARG 57 3HD ARG 57 -8.991 6.709 4.750 509 HE ARG 57 HE ARG 57 -11.195 7.113 6.441 510 HH11 ARG 57 1HH1 ARG 57 -8.610 9.082 5.065 511 HH12 ARG 57 2HH1 ARG 57 -9.548 10.537 5.095 512 HH21 ARG 57 1HH2 ARG 57 -12.378 9.041 6.527 513 HH22 ARG 57 2HH2 ARG 57 -11.688 10.515 5.929 514 H ILE 58 H ILE 58 -8.019 4.178 2.553 515 HA ILE 58 HA ILE 58 -6.921 1.618 3.536 516 HB ILE 58 HB ILE 58 -6.027 3.296 1.131 517 HG12 ILE 58 2HG1 ILE 58 -7.709 0.743 1.119 518 HG13 ILE 58 3HG1 ILE 58 -8.335 2.360 0.826 519 HG21 ILE 58 1HG2 ILE 58 -4.719 1.318 0.451 520 HG22 ILE 58 2HG2 ILE 58 -5.241 0.461 1.902 521 HG23 ILE 58 3HG2 ILE 58 -4.215 1.888 2.045 522 HD11 ILE 58 3HD1 ILE 58 -8.055 1.169 -1.247 523 HD12 ILE 58 1HD1 ILE 58 -6.347 0.888 -0.906 524 HD13 ILE 58 2HD1 ILE 58 -6.937 2.530 -1.184 525 H SER 59 H SER 59 -5.084 1.623 4.739 526 HA SER 59 HA SER 59 -3.540 4.111 5.148 527 HB2 SER 59 2HB SER 59 -5.316 3.964 6.908 528 HB3 SER 59 3HB SER 59 -4.749 2.361 7.358 529 HG SER 59 HG SER 59 -3.571 4.873 7.780 530 H ILE 60 H ILE 60 -1.613 3.433 4.340 531 HA ILE 60 HA ILE 60 -0.664 0.692 4.956 532 HB ILE 60 HB ILE 60 -0.344 2.300 2.399 533 HG12 ILE 60 2HG1 ILE 60 -1.572 -0.430 3.006 534 HG13 ILE 60 3HG1 ILE 60 -2.435 1.034 2.554 535 HG21 ILE 60 1HG2 ILE 60 1.862 1.337 2.877 536 HG22 ILE 60 2HG2 ILE 60 1.120 0.503 1.513 537 HG23 ILE 60 3HG2 ILE 60 1.142 -0.257 3.106 538 HD11 ILE 60 3HD1 ILE 60 -1.341 0.928 0.332 539 HD12 ILE 60 1HD1 ILE 60 -2.372 -0.452 0.697 540 HD13 ILE 60 2HD1 ILE 60 -0.620 -0.613 0.801 541 H ARG 61 H ARG 61 0.924 0.700 6.363 542 HA ARG 61 HA ARG 61 2.920 2.886 6.396 543 HB2 ARG 61 2HB ARG 61 1.682 2.448 8.538 544 HB3 ARG 61 3HB ARG 61 2.316 0.804 8.550 545 HG2 ARG 61 2HG ARG 61 4.604 1.654 8.777 546 HG3 ARG 61 3HG ARG 61 4.024 3.314 8.648 547 HD2 ARG 61 2HD ARG 61 2.738 2.978 10.777 548 HD3 ARG 61 3HD ARG 61 3.456 1.364 10.911 549 HE ARG 61 HE ARG 61 5.528 3.221 10.582 550 HH11 ARG 61 1HH1 ARG 61 3.150 2.411 13.049 551 HH12 ARG 61 2HH1 ARG 61 4.148 2.976 14.352 552 HH21 ARG 61 1HH2 ARG 61 6.807 3.980 12.292 553 HH22 ARG 61 2HH2 ARG 61 6.216 3.864 13.921 554 H VAL 62 H VAL 62 5.069 2.407 6.104 555 HA VAL 62 HA VAL 62 5.746 -0.270 5.071 556 HB VAL 62 HB VAL 62 6.317 1.732 3.685 557 HG11 VAL 62 1HG1 VAL 62 8.254 2.500 5.888 558 HG12 VAL 62 2HG1 VAL 62 6.768 3.365 5.478 559 HG13 VAL 62 3HG1 VAL 62 8.094 3.289 4.314 560 HG21 VAL 62 3HG2 VAL 62 8.770 0.247 4.682 561 HG22 VAL 62 1HG2 VAL 62 8.670 1.169 3.178 562 HG23 VAL 62 2HG2 VAL 62 7.678 -0.270 3.397 563 H LYS 63 H LYS 63 7.195 -1.638 6.171 564 HA LYS 63 HA LYS 63 8.437 -0.745 8.676 565 HB2 LYS 63 2HB LYS 63 7.549 -3.030 8.668 566 HB3 LYS 63 3HB LYS 63 8.455 -3.421 7.229 567 HG2 LYS 63 2HG LYS 63 9.542 -4.470 9.096 568 HG3 LYS 63 3HG LYS 63 10.575 -3.161 8.524 569 HD2 LYS 63 2HD LYS 63 10.592 -3.110 10.919 570 HD3 LYS 63 3HD LYS 63 9.657 -1.718 10.371 571 HE2 LYS 63 2HE LYS 63 8.549 -2.749 12.271 572 HE3 LYS 63 3HE LYS 63 7.560 -3.018 10.834 573 HZ1 LYS 63 3HZ LYS 63 8.571 -5.256 10.683 574 HZ2 LYS 63 1HZ LYS 63 7.700 -5.028 12.118 575 HZ3 LYS 63 2HZ LYS 63 9.385 -4.968 12.131 576 H HIS 64 H HIS 64 10.404 0.103 8.640 577 HA HIS 64 HA HIS 64 11.958 0.077 6.159 578 HB2 HIS 64 2HB HIS 64 13.328 1.830 7.298 579 HB3 HIS 64 3HB HIS 64 11.644 2.257 7.065 580 HD1 HIS 64 HD1 HIS 64 13.833 0.875 9.884 581 HD2 HIS 64 HD2 HIS 64 10.591 3.399 9.261 582 HE1 HIS 64 HE1 HIS 64 13.307 1.867 12.129 583 HE2 HIS 64 HE2 HIS 64 11.342 3.382 11.731 584 H SER 65 H SER 65 14.081 -0.539 6.038 585 HA SER 65 HA SER 65 14.782 -2.798 7.729 586 HB2 SER 65 2HB SER 65 16.146 -1.673 5.249 587 HB3 SER 65 3HB SER 65 16.481 -3.233 6.001 588 HG SER 65 HG SER 65 13.833 -2.654 5.296 589 H ASP 66 H ASP 66 16.343 0.265 6.715 590 HA ASP 66 HA ASP 66 18.408 -0.002 8.796 591 HB2 ASP 66 2HB ASP 66 18.062 1.979 6.503 592 HB3 ASP 66 3HB ASP 66 19.369 2.073 7.678 593 H ALA 67 H ALA 67 19.004 2.429 9.603 594 HA ALA 67 HA ALA 67 16.589 3.496 10.954 595 HB1 ALA 67 3HB ALA 67 18.071 4.076 12.823 596 HB2 ALA 67 1HB ALA 67 19.456 3.419 11.945 597 HB3 ALA 67 2HB ALA 67 18.149 2.351 12.461 598 H ALA 68 H ALA 68 19.661 4.373 9.350 599 HA ALA 68 HA ALA 68 18.997 7.230 9.322 600 HB1 ALA 68 3HB ALA 68 21.169 7.503 8.204 601 HB2 ALA 68 1HB ALA 68 21.339 5.749 8.064 602 HB3 ALA 68 2HB ALA 68 21.340 6.513 9.655 603 H GLU 69 H GLU 69 19.533 4.637 6.942 604 HA GLU 69 HA GLU 69 19.115 6.164 4.594 605 HB2 GLU 69 2HB GLU 69 19.111 3.158 5.096 606 HB3 GLU 69 3HB GLU 69 18.958 3.843 3.485 607 HG2 GLU 69 2HG GLU 69 21.241 3.074 3.946 608 HG3 GLU 69 3HG GLU 69 21.189 4.813 3.638 609 H GLU 70 H GLU 70 16.892 4.810 6.774 610 HA GLU 70 HA GLU 70 14.786 4.017 5.059 611 HB2 GLU 70 2HB GLU 70 13.475 3.924 7.178 612 HB3 GLU 70 3HB GLU 70 14.968 3.005 7.177 613 HG2 GLU 70 2HG GLU 70 14.853 3.955 9.301 614 HG3 GLU 70 3HG GLU 70 16.013 4.954 8.430 615 H LYS 71 H LYS 71 15.687 7.086 6.334 616 HA LYS 71 HA LYS 71 13.196 8.446 6.106 617 HB2 LYS 71 2HB LYS 71 15.250 9.136 7.446 618 HB3 LYS 71 3HB LYS 71 16.013 9.608 5.933 619 HG2 LYS 71 2HG LYS 71 14.260 11.315 5.584 620 HG3 LYS 71 3HG LYS 71 13.466 10.801 7.078 621 HD2 LYS 71 2HD LYS 71 14.780 12.818 7.517 622 HD3 LYS 71 3HD LYS 71 15.497 11.448 8.373 623 HE2 LYS 71 2HE LYS 71 17.247 11.257 6.683 624 HE3 LYS 71 3HE LYS 71 16.493 12.518 5.706 625 HZ1 LYS 71 3HZ LYS 71 16.925 14.104 7.471 626 HZ2 LYS 71 1HZ LYS 71 18.364 13.369 6.978 627 HZ3 LYS 71 2HZ LYS 71 17.631 12.907 8.429 628 H LYS 72 H LYS 72 15.822 7.703 3.908 629 HA LYS 72 HA LYS 72 14.728 9.090 1.606 630 HB2 LYS 72 2HB LYS 72 17.170 8.784 1.865 631 HB3 LYS 72 3HB LYS 72 16.972 7.036 1.874 632 HG2 LYS 72 2HG LYS 72 16.190 7.110 -0.480 633 HG3 LYS 72 3HG LYS 72 16.372 8.866 -0.489 634 HD2 LYS 72 2HD LYS 72 18.621 6.857 -0.080 635 HD3 LYS 72 3HD LYS 72 18.281 7.710 -1.585 636 HE2 LYS 72 2HE LYS 72 19.116 9.009 1.035 637 HE3 LYS 72 3HE LYS 72 20.156 8.746 -0.364 638 HZ1 LYS 72 3HZ LYS 72 17.786 10.527 -0.226 639 HZ2 LYS 72 1HZ LYS 72 18.642 10.198 -1.645 640 HZ3 LYS 72 2HZ LYS 72 19.401 10.993 -0.364 641 H GLU 73 H GLU 73 14.864 5.786 2.901 642 HA GLU 73 HA GLU 73 13.864 4.392 0.642 643 HB2 GLU 73 2HB GLU 73 15.155 3.289 2.417 644 HB3 GLU 73 3HB GLU 73 13.875 3.599 3.583 645 HG2 GLU 73 2HG GLU 73 12.373 2.071 2.412 646 HG3 GLU 73 3HG GLU 73 13.550 1.846 1.123 647 H ALA 74 H ALA 74 12.240 5.993 3.322 648 HA ALA 74 HA ALA 74 9.632 4.928 2.932 649 HB1 ALA 74 3HB ALA 74 10.296 6.061 5.013 650 HB2 ALA 74 1HB ALA 74 8.867 6.819 4.309 651 HB3 ALA 74 2HB ALA 74 10.447 7.593 4.147 652 H LYS 75 H LYS 75 11.218 7.931 1.802 653 HA LYS 75 HA LYS 75 9.106 8.827 0.141 654 HB2 LYS 75 2HB LYS 75 10.925 10.295 1.038 655 HB3 LYS 75 3HB LYS 75 12.075 9.510 -0.036 656 HG2 LYS 75 2HG LYS 75 11.343 11.709 -0.901 657 HG3 LYS 75 3HG LYS 75 10.925 10.391 -1.994 658 HD2 LYS 75 2HD LYS 75 9.020 11.792 -1.988 659 HD3 LYS 75 3HD LYS 75 8.576 10.453 -0.937 660 HE2 LYS 75 2HE LYS 75 9.483 13.211 -0.037 661 HE3 LYS 75 3HE LYS 75 7.831 12.609 -0.025 662 HZ1 LYS 75 3HZ LYS 75 10.080 11.621 1.642 663 HZ2 LYS 75 1HZ LYS 75 8.548 10.914 1.591 664 HZ3 LYS 75 2HZ LYS 75 8.734 12.489 2.157 665 H LYS 76 H LYS 76 11.799 6.658 -0.433 666 HA LYS 76 HA LYS 76 11.665 6.416 -3.257 667 HB2 LYS 76 2HB LYS 76 13.579 5.597 -1.892 668 HB3 LYS 76 3HB LYS 76 12.536 4.401 -1.133 669 HG2 LYS 76 2HG LYS 76 12.196 3.448 -3.518 670 HG3 LYS 76 3HG LYS 76 13.571 4.457 -3.982 671 HD2 LYS 76 2HD LYS 76 13.561 2.243 -1.891 672 HD3 LYS 76 3HD LYS 76 14.324 2.177 -3.479 673 HE2 LYS 76 2HE LYS 76 15.917 3.929 -2.800 674 HE3 LYS 76 3HE LYS 76 15.126 4.057 -1.224 675 HZ1 LYS 76 3HZ LYS 76 15.707 1.692 -0.850 676 HZ2 LYS 76 1HZ LYS 76 17.062 2.686 -1.019 677 HZ3 LYS 76 2HZ LYS 76 16.578 1.695 -2.299 678 H PHE 77 H PHE 77 10.188 4.647 -0.564 679 HA PHE 77 HA PHE 77 8.697 2.772 -2.146 680 HB2 PHE 77 2HB PHE 77 9.570 2.360 0.207 681 HB3 PHE 77 3HB PHE 77 8.358 3.479 0.810 682 HD1 PHE 77 HD1 PHE 77 8.801 0.236 -0.998 683 HD2 PHE 77 HD2 PHE 77 6.130 2.695 1.269 684 HE1 PHE 77 HE1 PHE 77 7.202 -1.621 -0.843 685 HE2 PHE 77 HE2 PHE 77 4.537 0.824 1.411 686 HZ PHE 77 HZ PHE 77 5.069 -1.332 0.352 687 H ALA 78 H ALA 78 8.216 5.962 -0.921 688 HA ALA 78 HA ALA 78 5.398 6.203 -1.096 689 HB1 ALA 78 3HB ALA 78 5.816 8.617 -1.114 690 HB2 ALA 78 1HB ALA 78 7.529 8.339 -1.456 691 HB3 ALA 78 2HB ALA 78 6.838 7.821 0.081 692 H ALA 79 H ALA 79 8.041 6.818 -3.407 693 HA ALA 79 HA ALA 79 6.483 7.636 -5.616 694 HB1 ALA 79 3HB ALA 79 8.910 8.014 -5.474 695 HB2 ALA 79 1HB ALA 79 8.506 7.136 -6.950 696 HB3 ALA 79 2HB ALA 79 9.203 6.277 -5.572 697 H ILE 80 H ILE 80 7.565 4.480 -4.461 698 HA ILE 80 HA ILE 80 6.663 2.859 -6.597 699 HB ILE 80 HB ILE 80 7.182 2.185 -3.664 700 HG12 ILE 80 2HG1 ILE 80 9.193 3.005 -4.718 701 HG13 ILE 80 3HG1 ILE 80 9.363 1.262 -4.584 702 HG21 ILE 80 1HG2 ILE 80 7.361 -0.176 -4.297 703 HG22 ILE 80 2HG2 ILE 80 6.895 0.214 -5.952 704 HG23 ILE 80 3HG2 ILE 80 5.743 0.441 -4.639 705 HD11 ILE 80 3HD1 ILE 80 10.215 2.054 -6.696 706 HD12 ILE 80 1HD1 ILE 80 8.671 2.805 -7.091 707 HD13 ILE 80 2HD1 ILE 80 8.797 1.045 -6.977 708 H LEU 81 H LEU 81 5.107 3.835 -3.524 709 HA LEU 81 HA LEU 81 2.706 2.357 -3.833 710 HB2 LEU 81 2HB LEU 81 3.484 4.765 -2.156 711 HB3 LEU 81 3HB LEU 81 1.813 4.228 -2.190 712 HG LEU 81 HG LEU 81 4.143 2.473 -1.302 713 HD11 LEU 81 1HD1 LEU 81 3.353 2.824 0.992 714 HD12 LEU 81 2HD1 LEU 81 2.139 3.969 0.416 715 HD13 LEU 81 3HD1 LEU 81 3.856 4.341 0.250 716 HD21 LEU 81 3HD2 LEU 81 2.236 1.177 -2.152 717 HD22 LEU 81 1HD2 LEU 81 1.143 2.032 -1.060 718 HD23 LEU 81 2HD2 LEU 81 2.405 0.979 -0.411 719 H ASN 82 H ASN 82 3.673 5.657 -4.710 720 HA ASN 82 HA ASN 82 1.165 6.675 -5.492 721 HB2 ASN 82 2HB ASN 82 3.052 8.180 -5.058 722 HB3 ASN 82 3HB ASN 82 3.968 7.488 -6.393 723 HD21 ASN 82 1HD2 ASN 82 3.465 8.126 -8.515 724 HD22 ASN 82 2HD2 ASN 82 2.402 9.444 -8.867 725 H LYS 83 H LYS 83 3.733 5.054 -7.334 726 HA LYS 83 HA LYS 83 2.580 5.167 -9.894 727 HB2 LYS 83 2HB LYS 83 4.535 3.206 -8.639 728 HB3 LYS 83 3HB LYS 83 4.021 3.050 -10.313 729 HG2 LYS 83 2HG LYS 83 5.524 5.394 -9.106 730 HG3 LYS 83 3HG LYS 83 6.188 4.156 -10.173 731 HD2 LYS 83 2HD LYS 83 4.089 6.234 -10.903 732 HD3 LYS 83 3HD LYS 83 5.775 6.217 -11.416 733 HE2 LYS 83 2HE LYS 83 5.395 4.165 -12.699 734 HE3 LYS 83 3HE LYS 83 3.723 4.094 -12.135 735 HZ1 LYS 83 3HZ LYS 83 4.881 6.279 -13.782 736 HZ2 LYS 83 1HZ LYS 83 3.279 6.165 -13.269 737 HZ3 LYS 83 2HZ LYS 83 3.897 5.032 -14.361 738 H VAL 84 H VAL 84 2.305 2.697 -7.327 739 HA VAL 84 HA VAL 84 0.883 0.757 -8.823 740 HB VAL 84 HB VAL 84 1.182 1.210 -5.815 741 HG11 VAL 84 1HG1 VAL 84 0.316 -1.104 -5.474 742 HG12 VAL 84 2HG1 VAL 84 -0.142 -1.166 -7.176 743 HG13 VAL 84 3HG1 VAL 84 -0.918 -0.008 -6.100 744 HG21 VAL 84 3HG2 VAL 84 2.739 -0.704 -5.941 745 HG22 VAL 84 1HG2 VAL 84 3.242 0.591 -7.029 746 HG23 VAL 84 2HG2 VAL 84 2.443 -0.843 -7.676 747 H PHE 85 H PHE 85 -0.220 3.163 -6.436 748 HA PHE 85 HA PHE 85 -2.977 2.664 -6.553 749 HB2 PHE 85 2HB PHE 85 -1.484 5.215 -5.799 750 HB3 PHE 85 3HB PHE 85 -3.226 5.038 -5.625 751 HD1 PHE 85 HD1 PHE 85 -3.741 2.492 -4.467 752 HD2 PHE 85 HD2 PHE 85 -0.415 5.075 -3.698 753 HE1 PHE 85 HE1 PHE 85 -3.445 1.467 -2.247 754 HE2 PHE 85 HE2 PHE 85 -0.128 4.035 -1.488 755 HZ PHE 85 HZ PHE 85 -1.641 2.240 -0.764 756 H ALA 86 H ALA 86 -0.987 4.931 -8.454 757 HA ALA 86 HA ALA 86 -3.083 6.149 -9.925 758 HB1 ALA 86 3HB ALA 86 -0.162 5.823 -10.692 759 HB2 ALA 86 1HB ALA 86 -0.839 7.137 -9.730 760 HB3 ALA 86 2HB ALA 86 -1.305 6.954 -11.424 761 H GLU 87 H GLU 87 -1.298 3.152 -10.382 762 HA GLU 87 HA GLU 87 -2.273 2.676 -13.094 763 HB2 GLU 87 2HB GLU 87 -0.499 1.024 -11.244 764 HB3 GLU 87 3HB GLU 87 -0.958 0.516 -12.868 765 HG2 GLU 87 2HG GLU 87 0.199 2.461 -13.837 766 HG3 GLU 87 3HG GLU 87 0.600 3.042 -12.221 767 H LEU 88 H LEU 88 -3.579 2.281 -10.032 768 HA LEU 88 HA LEU 88 -5.262 -0.041 -10.808 769 HB2 LEU 88 2HB LEU 88 -4.812 1.209 -8.063 770 HB3 LEU 88 3HB LEU 88 -5.945 -0.094 -8.387 771 HG LEU 88 HG LEU 88 -2.913 -0.256 -8.622 772 HD11 LEU 88 1HD1 LEU 88 -3.695 -0.236 -6.302 773 HD12 LEU 88 2HD1 LEU 88 -3.033 -1.809 -6.736 774 HD13 LEU 88 3HD1 LEU 88 -4.784 -1.587 -6.637 775 HD21 LEU 88 3HD2 LEU 88 -3.930 -1.652 -10.351 776 HD22 LEU 88 1HD2 LEU 88 -4.956 -2.441 -9.149 777 HD23 LEU 88 2HD2 LEU 88 -3.201 -2.651 -9.098 778 H GLY 89 H GLY 89 -5.228 3.356 -10.447 779 HA2 GLY 89 2HA GLY 89 -6.909 4.636 -11.572 780 HA3 GLY 89 3HA GLY 89 -8.128 3.492 -11.044 781 H TYR 90 H TYR 90 -5.807 4.427 -8.669 782 HA TYR 90 HA TYR 90 -7.679 6.201 -7.308 783 HB2 TYR 90 2HB TYR 90 -4.872 5.295 -6.515 784 HB3 TYR 90 3HB TYR 90 -5.938 6.271 -5.510 785 HD1 TYR 90 HD2 TYR 90 -8.123 5.254 -4.678 786 HD2 TYR 90 HD1 TYR 90 -5.088 2.889 -6.550 787 HE1 TYR 90 HE2 TYR 90 -9.133 3.210 -3.755 788 HE2 TYR 90 HE1 TYR 90 -6.100 0.850 -5.616 789 HH TYR 90 HH TYR 90 -7.583 0.241 -3.695 790 H ASN 91 H ASN 91 -7.566 8.326 -7.350 791 HA ASN 91 HA ASN 91 -5.873 9.713 -9.242 792 HB2 ASN 91 2HB ASN 91 -8.321 10.174 -8.983 793 HB3 ASN 91 3HB ASN 91 -8.041 10.724 -7.339 794 HD21 ASN 91 1HD2 ASN 91 -7.614 11.490 -10.727 795 HD22 ASN 91 2HD2 ASN 91 -7.314 13.176 -10.506 796 H ASP 92 H ASP 92 -4.617 11.670 -8.623 797 HA ASP 92 HA ASP 92 -2.801 11.375 -6.518 798 HB2 ASP 92 2HB ASP 92 -2.231 12.681 -8.461 799 HB3 ASP 92 3HB ASP 92 -3.599 13.760 -8.238 800 H SER 93 H SER 93 -5.762 13.281 -6.713 801 HA SER 93 HA SER 93 -5.611 14.371 -4.061 802 HB2 SER 93 2HB SER 93 -6.780 15.445 -6.064 803 HB3 SER 93 3HB SER 93 -8.076 14.266 -5.853 804 HG SER 93 HG SER 93 -7.342 15.626 -3.559 805 H ASN 94 H ASN 94 -6.037 11.222 -4.835 806 HA ASN 94 HA ASN 94 -7.846 10.666 -2.554 807 HB2 ASN 94 2HB ASN 94 -6.646 8.758 -4.616 808 HB3 ASN 94 3HB ASN 94 -7.671 8.258 -3.276 809 HD21 ASN 94 1HD2 ASN 94 -9.410 10.752 -3.732 810 HD22 ASN 94 2HD2 ASN 94 -10.359 10.323 -5.105 811 H VAL 95 H VAL 95 -4.505 10.819 -3.423 812 HA VAL 95 HA VAL 95 -3.633 9.062 -1.192 813 HB VAL 95 HB VAL 95 -2.068 9.930 -3.680 814 HG11 VAL 95 1HG1 VAL 95 -1.319 7.888 -1.551 815 HG12 VAL 95 2HG1 VAL 95 -0.575 9.473 -1.779 816 HG13 VAL 95 3HG1 VAL 95 -0.400 8.231 -3.020 817 HG21 VAL 95 3HG2 VAL 95 -2.350 7.610 -4.493 818 HG22 VAL 95 1HG2 VAL 95 -3.906 8.427 -4.308 819 HG23 VAL 95 2HG2 VAL 95 -3.381 7.245 -3.106 820 H THR 96 H THR 96 -2.955 10.196 0.573 821 HA THR 96 HA THR 96 -0.971 12.344 0.249 822 HB THR 96 HB THR 96 -3.407 12.600 2.084 823 HG1 THR 96 HG1 THR 96 -3.694 13.132 -0.193 824 HG21 THR 96 3HG2 THR 96 -1.073 14.534 1.750 825 HG22 THR 96 1HG2 THR 96 -1.385 13.541 3.181 826 HG23 THR 96 2HG2 THR 96 -2.516 14.815 2.725 827 H TRP 97 H TRP 97 0.745 11.961 1.568 828 HA TRP 97 HA TRP 97 0.798 9.730 3.390 829 HB2 TRP 97 2HB TRP 97 2.849 11.738 2.453 830 HB3 TRP 97 3HB TRP 97 3.185 10.836 3.922 831 HD1 TRP 97 HD1 TRP 97 2.740 10.283 0.137 832 HE1 TRP 97 HE1 TRP 97 3.773 8.012 -0.463 833 HE3 TRP 97 HE3 TRP 97 3.762 8.574 4.854 834 HZ2 TRP 97 HZ2 TRP 97 4.888 5.789 0.875 835 HZ3 TRP 97 HZ3 TRP 97 4.811 6.356 5.106 836 HH2 TRP 97 HH2 TRP 97 5.363 4.991 3.152 837 H ASP 98 H ASP 98 1.268 9.764 5.566 838 HA ASP 98 HA ASP 98 0.992 12.220 7.154 839 HB2 ASP 98 2HB ASP 98 -1.289 11.219 7.089 840 HB3 ASP 98 3HB ASP 98 -0.640 9.667 7.592 841 H GLY 99 H GLY 99 3.286 11.860 7.176 842 HA2 GLY 99 2HA GLY 99 5.239 11.340 8.215 843 HA3 GLY 99 3HA GLY 99 4.283 10.661 9.521 844 H ASP 100 H ASP 100 4.016 8.452 9.657 845 HA ASP 100 HA ASP 100 5.961 6.810 8.228 846 HB2 ASP 100 2HB ASP 100 4.003 6.094 10.462 847 HB3 ASP 100 3HB ASP 100 5.239 5.011 9.828 848 H THR 101 H THR 101 2.583 7.442 8.032 849 HA THR 101 HA THR 101 2.040 4.939 6.518 850 HB THR 101 HB THR 101 0.172 6.350 8.486 851 HG1 THR 101 HG1 THR 101 1.847 5.337 9.620 852 HG21 THR 101 3HG2 THR 101 -1.224 4.334 8.285 853 HG22 THR 101 1HG2 THR 101 -0.109 3.663 7.095 854 HG23 THR 101 2HG2 THR 101 -1.034 5.117 6.716 855 H VAL 102 H VAL 102 0.845 5.224 4.627 856 HA VAL 102 HA VAL 102 0.195 7.975 3.820 857 HB VAL 102 HB VAL 102 1.520 6.524 2.254 858 HG11 VAL 102 1HG1 VAL 102 -1.014 4.896 1.928 859 HG12 VAL 102 2HG1 VAL 102 0.487 4.346 2.672 860 HG13 VAL 102 3HG1 VAL 102 0.451 4.742 0.952 861 HG21 VAL 102 3HG2 VAL 102 -1.159 7.446 1.158 862 HG22 VAL 102 1HG2 VAL 102 0.292 7.136 0.196 863 HG23 VAL 102 2HG2 VAL 102 0.280 8.444 1.381 864 H THR 103 H THR 103 -1.862 8.663 3.517 865 HA THR 103 HA THR 103 -4.144 6.957 4.260 866 HB THR 103 HB THR 103 -3.997 10.006 4.034 867 HG1 THR 103 HG1 THR 103 -2.651 9.199 5.718 868 HG21 THR 103 3HG2 THR 103 -6.086 9.996 5.345 869 HG22 THR 103 1HG2 THR 103 -6.094 8.233 5.353 870 HG23 THR 103 2HG2 THR 103 -6.303 9.110 3.832 871 H VAL 104 H VAL 104 -4.921 6.023 2.432 872 HA VAL 104 HA VAL 104 -5.311 7.635 -0.031 873 HB VAL 104 HB VAL 104 -4.853 4.615 0.200 874 HG11 VAL 104 1HG1 VAL 104 -5.157 6.317 -2.305 875 HG12 VAL 104 2HG1 VAL 104 -6.329 5.145 -1.698 876 HG13 VAL 104 3HG1 VAL 104 -4.751 4.598 -2.268 877 HG21 VAL 104 3HG2 VAL 104 -2.786 5.857 0.652 878 HG22 VAL 104 1HG2 VAL 104 -2.982 6.773 -0.848 879 HG23 VAL 104 2HG2 VAL 104 -2.682 5.036 -0.903 880 H GLU 105 H GLU 105 -7.432 8.163 -0.119 881 HA GLU 105 HA GLU 105 -9.435 6.055 0.222 882 HB2 GLU 105 2HB GLU 105 -10.914 7.687 1.527 883 HB3 GLU 105 3HB GLU 105 -9.573 6.958 2.391 884 HG2 GLU 105 2HG GLU 105 -9.486 9.135 3.141 885 HG3 GLU 105 3HG GLU 105 -8.304 9.163 1.840 886 H GLY 106 H GLY 106 -11.220 6.263 -1.046 887 HA2 GLY 106 2HA GLY 106 -12.201 8.242 -2.612 888 HA3 GLY 106 3HA GLY 106 -10.741 7.755 -3.477 889 H GLN 107 H GLN 107 -11.847 6.897 -5.237 890 HA GLN 107 HA GLN 107 -14.127 5.234 -5.094 891 HB2 GLN 107 2HB GLN 107 -13.798 4.891 -7.508 892 HB3 GLN 107 3HB GLN 107 -13.568 6.582 -7.076 893 HG2 GLN 107 2HG GLN 107 -11.118 6.288 -7.189 894 HG3 GLN 107 3HG GLN 107 -11.342 4.591 -7.611 895 HE21 GLN 107 1HE2 GLN 107 -11.520 7.877 -8.766 896 HE22 GLN 107 2HE2 GLN 107 -11.739 7.486 -10.436 897 H LEU 108 H LEU 108 -14.400 3.038 -5.236 898 HA LEU 108 HA LEU 108 -12.122 1.252 -4.702 899 HB2 LEU 108 2HB LEU 108 -14.556 1.295 -3.562 900 HB3 LEU 108 3HB LEU 108 -15.008 0.329 -4.949 901 HG LEU 108 HG LEU 108 -12.957 -0.424 -2.818 902 HD11 LEU 108 1HD1 LEU 108 -15.726 -1.538 -3.357 903 HD12 LEU 108 2HD1 LEU 108 -15.249 -0.517 -1.994 904 HD13 LEU 108 3HD1 LEU 108 -14.577 -2.137 -2.155 905 HD21 LEU 108 3HD2 LEU 108 -12.854 -2.642 -3.841 906 HD22 LEU 108 1HD2 LEU 108 -12.292 -1.407 -4.965 907 HD23 LEU 108 2HD2 LEU 108 -13.900 -2.108 -5.160 908 H GLU 109 H GLU 109 -11.166 0.180 -6.464 909 HA GLU 109 HA GLU 109 -12.454 -0.006 -9.036 910 HB2 GLU 109 2HB GLU 109 -10.003 -0.010 -8.953 911 HB3 GLU 109 3HB GLU 109 -9.997 -1.450 -7.942 912 HG2 GLU 109 2HG GLU 109 -9.386 -1.959 -10.283 913 HG3 GLU 109 3HG GLU 109 -10.848 -2.807 -9.788 914 H GLY 110 H GLY 110 -14.414 -0.957 -8.757 915 HA2 GLY 110 2HA GLY 110 -15.116 -3.458 -9.076 916 HA3 GLY 110 3HA GLY 110 -14.677 -3.542 -7.371 917 H VAL 111 H VAL 111 -16.193 -0.763 -8.960 918 HA VAL 111 HA VAL 111 -18.326 -0.636 -7.031 919 HB VAL 111 HB VAL 111 -18.098 0.931 -9.653 920 HG11 VAL 111 1HG1 VAL 111 -19.711 1.543 -7.140 921 HG12 VAL 111 2HG1 VAL 111 -20.366 1.004 -8.689 922 HG13 VAL 111 3HG1 VAL 111 -19.590 2.583 -8.561 923 HG21 VAL 111 3HG2 VAL 111 -17.085 2.756 -8.345 924 HG22 VAL 111 1HG2 VAL 111 -16.087 1.300 -8.290 925 HG23 VAL 111 2HG2 VAL 111 -17.086 1.739 -6.903 926 H ASP 112 H ASP 112 -19.596 -2.432 -7.189 927 HA ASP 112 HA ASP 112 -21.401 -3.649 -7.731 928 HB2 ASP 112 2HB ASP 112 -22.375 -1.352 -8.086 929 HB3 ASP 112 3HB ASP 112 -21.951 -1.456 -9.788 930 H LEU 113 H LEU 113 -18.779 -3.894 -9.309 931 HA LEU 113 HA LEU 113 -19.453 -4.876 -11.921 932 HB2 LEU 113 2HB LEU 113 -16.914 -5.220 -10.267 933 HB3 LEU 113 3HB LEU 113 -17.076 -5.701 -11.949 934 HG LEU 113 HG LEU 113 -17.167 -2.852 -10.872 935 HD11 LEU 113 1HD1 LEU 113 -15.094 -4.224 -12.623 936 HD12 LEU 113 2HD1 LEU 113 -14.902 -3.788 -10.921 937 HD13 LEU 113 3HD1 LEU 113 -15.087 -2.524 -12.134 938 HD21 LEU 113 3HD2 LEU 113 -17.494 -3.817 -13.733 939 HD22 LEU 113 1HD2 LEU 113 -17.285 -2.134 -13.234 940 HD23 LEU 113 2HD2 LEU 113 -18.717 -3.025 -12.732 941 H GLU 114 H GLU 114 -20.123 -6.850 -12.453 942 HA GLU 114 HA GLU 114 -20.576 -8.975 -10.600 943 HB2 GLU 114 2HB GLU 114 -21.324 -10.284 -12.516 944 HB3 GLU 114 3HB GLU 114 -21.953 -8.654 -12.664 945 HG2 GLU 114 2HG GLU 114 -19.518 -9.660 -14.173 946 HG3 GLU 114 3HG GLU 114 -21.155 -9.719 -14.807 947 H HIS 115 H HIS 115 -19.715 -11.210 -10.973 948 HA HIS 115 HA HIS 115 -18.178 -12.821 -11.145 949 HB2 HIS 115 2HB HIS 115 -16.569 -10.912 -12.880 950 HB3 HIS 115 3HB HIS 115 -16.206 -12.620 -12.660 951 HD1 HIS 115 HD1 HIS 115 -17.335 -10.758 -15.260 952 HD2 HIS 115 HD2 HIS 115 -19.084 -13.968 -13.282 953 HE1 HIS 115 HE1 HIS 115 -19.028 -11.697 -16.862 954 HE2 HIS 115 HE2 HIS 115 -19.855 -13.788 -15.733 955 H HIS 116 H HIS 116 -17.595 -10.004 -9.420 956 HA HIS 116 HA HIS 116 -15.041 -10.666 -8.294 957 HB2 HIS 116 2HB HIS 116 -15.508 -9.126 -6.479 958 HB3 HIS 116 3HB HIS 116 -16.084 -8.398 -7.965 959 HD1 HIS 116 HD1 HIS 116 -18.328 -7.365 -7.782 960 HD2 HIS 116 HD2 HIS 116 -17.819 -10.302 -4.903 961 HE1 HIS 116 HE1 HIS 116 -20.398 -7.294 -6.373 962 HE2 HIS 116 HE2 HIS 116 -20.128 -9.176 -4.742 963 H HIS 117 H HIS 117 -18.350 -11.653 -7.660 964 HA HIS 117 HA HIS 117 -17.754 -13.533 -5.578 965 HB2 HIS 117 2HB HIS 117 -20.071 -12.603 -5.972 966 HB3 HIS 117 3HB HIS 117 -20.143 -13.476 -7.497 967 HD1 HIS 117 HD1 HIS 117 -20.579 -13.891 -3.837 968 HD2 HIS 117 HD2 HIS 117 -20.405 -16.342 -7.192 969 HE1 HIS 117 HE1 HIS 117 -21.451 -16.123 -3.096 970 HE2 HIS 117 HE2 HIS 117 -21.448 -17.548 -5.163 971 H HIS 118 H HIS 118 -15.937 -14.529 -6.387 972 HA HIS 118 HA HIS 118 -15.838 -15.686 -9.040 973 HB2 HIS 118 2HB HIS 118 -13.459 -16.253 -8.360 974 HB3 HIS 118 3HB HIS 118 -13.855 -14.541 -8.297 975 HD1 HIS 118 HD1 HIS 118 -13.573 -13.355 -6.067 976 HD2 HIS 118 HD2 HIS 118 -13.198 -17.487 -5.750 977 HE1 HIS 118 HE1 HIS 118 -12.760 -13.797 -3.736 978 HE2 HIS 118 HE2 HIS 118 -12.332 -16.264 -3.656 979 H HIS 119 H HIS 119 -15.739 -17.818 -9.565 980 HA HIS 119 HA HIS 119 -16.344 -19.846 -7.503 981 HB2 HIS 119 2HB HIS 119 -16.904 -21.329 -9.445 982 HB3 HIS 119 3HB HIS 119 -17.884 -19.874 -9.387 983 HD1 HIS 119 HD1 HIS 119 -15.464 -21.699 -11.514 984 HD2 HIS 119 HD2 HIS 119 -17.324 -17.978 -11.462 985 HE1 HIS 119 HE1 HIS 119 -15.164 -20.752 -13.819 986 HE2 HIS 119 HE2 HIS 119 -16.235 -18.481 -13.742 987 H HIS 120 H HIS 120 -13.685 -18.453 -8.606 988 HA HIS 120 HA HIS 120 -11.892 -20.655 -9.011 989 HB2 HIS 120 2HB HIS 120 -11.342 -18.433 -9.895 990 HB3 HIS 120 3HB HIS 120 -11.406 -17.730 -8.283 991 HD1 HIS 120 HD1 HIS 120 -9.383 -18.098 -6.739 992 HD2 HIS 120 HD2 HIS 120 -8.952 -19.869 -10.474 993 HE1 HIS 120 HE1 HIS 120 -6.961 -18.735 -6.902 994 HE2 HIS 120 HE2 HIS 120 -6.765 -19.943 -9.104 Start of MODEL 16 1 H1 MET 1 1H MET 1 23.897 -5.846 -3.506 2 H2 MET 1 2H MET 1 24.823 -5.465 -2.148 3 H3 MET 1 3H MET 1 24.081 -4.234 -3.034 4 HA MET 1 HA MET 1 22.717 -6.351 -1.502 5 HB2 MET 1 2HB MET 1 22.988 -3.365 -0.945 6 HB3 MET 1 3HB MET 1 21.948 -4.455 -0.037 7 HG2 MET 1 2HG MET 1 24.966 -4.684 -0.207 8 HG3 MET 1 3HG MET 1 24.072 -3.960 1.130 9 HE1 MET 1 3HE MET 1 22.537 -5.348 2.823 10 HE2 MET 1 1HE MET 1 22.213 -7.073 2.651 11 HE3 MET 1 2HE MET 1 21.556 -5.932 1.478 12 H SER 2 H SER 2 21.181 -6.968 -2.871 13 HA SER 2 HA SER 2 19.019 -5.165 -3.532 14 HB2 SER 2 2HB SER 2 20.556 -4.961 -5.533 15 HB3 SER 2 3HB SER 2 20.416 -6.701 -5.785 16 HG SER 2 HG SER 2 18.120 -6.337 -6.007 17 H GLY 3 H GLY 3 18.343 -6.581 -1.814 18 HA2 GLY 3 2HA GLY 3 16.714 -8.757 -2.735 19 HA3 GLY 3 3HA GLY 3 18.046 -9.297 -1.703 20 H LYS 4 H LYS 4 15.480 -6.843 -1.856 21 HA LYS 4 HA LYS 4 15.790 -6.272 0.996 22 HB2 LYS 4 2HB LYS 4 15.613 -4.544 -1.037 23 HB3 LYS 4 3HB LYS 4 13.883 -4.769 -0.823 24 HG2 LYS 4 2HG LYS 4 14.572 -2.806 0.407 25 HG3 LYS 4 3HG LYS 4 14.132 -4.063 1.573 26 HD2 LYS 4 2HD LYS 4 16.509 -4.606 1.920 27 HD3 LYS 4 3HD LYS 4 16.981 -3.435 0.687 28 HE2 LYS 4 2HE LYS 4 16.086 -1.612 2.106 29 HE3 LYS 4 3HE LYS 4 15.656 -2.804 3.339 30 HZ1 LYS 4 3HZ LYS 4 17.958 -3.367 3.603 31 HZ2 LYS 4 1HZ LYS 4 17.789 -1.695 3.766 32 HZ3 LYS 4 2HZ LYS 4 18.414 -2.342 2.338 33 H LYS 5 H LYS 5 14.101 -6.367 2.502 34 HA LYS 5 HA LYS 5 11.536 -7.612 1.677 35 HB2 LYS 5 2HB LYS 5 12.992 -9.225 2.948 36 HB3 LYS 5 3HB LYS 5 13.027 -8.100 4.292 37 HG2 LYS 5 2HG LYS 5 10.478 -8.292 4.389 38 HG3 LYS 5 3HG LYS 5 10.614 -9.609 3.219 39 HD2 LYS 5 2HD LYS 5 10.442 -10.497 5.502 40 HD3 LYS 5 3HD LYS 5 12.022 -10.881 4.814 41 HE2 LYS 5 2HE LYS 5 13.002 -8.958 6.070 42 HE3 LYS 5 3HE LYS 5 11.419 -8.636 6.778 43 HZ1 LYS 5 3HZ LYS 5 11.490 -10.816 7.822 44 HZ2 LYS 5 1HZ LYS 5 12.819 -9.878 8.283 45 HZ3 LYS 5 2HZ LYS 5 13.012 -11.118 7.151 46 H VAL 6 H VAL 6 10.203 -5.900 1.768 47 HA VAL 6 HA VAL 6 10.182 -4.125 4.147 48 HB VAL 6 HB VAL 6 10.128 -2.877 2.050 49 HG11 VAL 6 1HG1 VAL 6 7.663 -4.490 1.294 50 HG12 VAL 6 2HG1 VAL 6 9.263 -4.645 0.565 51 HG13 VAL 6 3HG1 VAL 6 8.348 -3.148 0.369 52 HG21 VAL 6 3HG2 VAL 6 8.791 -1.952 3.881 53 HG22 VAL 6 1HG2 VAL 6 7.374 -2.843 3.320 54 HG23 VAL 6 2HG2 VAL 6 8.071 -1.567 2.317 55 H GLU 7 H GLU 7 8.378 -4.028 5.478 56 HA GLU 7 HA GLU 7 6.300 -6.102 5.091 57 HB2 GLU 7 2HB GLU 7 7.473 -5.000 7.674 58 HB3 GLU 7 3HB GLU 7 6.092 -6.091 7.590 59 HG2 GLU 7 2HG GLU 7 7.565 -7.760 6.396 60 HG3 GLU 7 3HG GLU 7 8.930 -6.685 6.697 61 H VAL 8 H VAL 8 4.408 -5.352 4.635 62 HA VAL 8 HA VAL 8 3.841 -2.453 4.820 63 HB VAL 8 HB VAL 8 2.904 -4.575 2.820 64 HG11 VAL 8 1HG1 VAL 8 1.779 -2.774 1.572 65 HG12 VAL 8 2HG1 VAL 8 2.191 -1.619 2.838 66 HG13 VAL 8 3HG1 VAL 8 1.083 -2.944 3.188 67 HG21 VAL 8 3HG2 VAL 8 4.228 -3.279 1.182 68 HG22 VAL 8 1HG2 VAL 8 5.243 -3.844 2.515 69 HG23 VAL 8 2HG2 VAL 8 4.718 -2.157 2.456 70 H GLN 9 H GLN 9 2.342 -1.912 6.294 71 HA GLN 9 HA GLN 9 0.469 -3.937 7.360 72 HB2 GLN 9 2HB GLN 9 1.164 -1.154 8.435 73 HB3 GLN 9 3HB GLN 9 0.238 -2.398 9.275 74 HG2 GLN 9 2HG GLN 9 2.182 -3.785 9.529 75 HG3 GLN 9 3HG GLN 9 3.128 -2.766 8.448 76 HE21 GLN 9 1HE2 GLN 9 3.937 -0.796 9.216 77 HE22 GLN 9 2HE2 GLN 9 3.993 -0.414 10.901 78 H VAL 10 H VAL 10 -1.284 -3.947 5.978 79 HA VAL 10 HA VAL 10 -2.395 -1.402 4.971 80 HB VAL 10 HB VAL 10 -3.129 -4.280 4.204 81 HG11 VAL 10 1HG1 VAL 10 -4.362 -3.271 2.306 82 HG12 VAL 10 2HG1 VAL 10 -3.991 -1.657 2.917 83 HG13 VAL 10 3HG1 VAL 10 -5.023 -2.737 3.855 84 HG21 VAL 10 3HG2 VAL 10 -1.426 -2.250 2.701 85 HG22 VAL 10 1HG2 VAL 10 -1.907 -3.839 2.093 86 HG23 VAL 10 2HG2 VAL 10 -0.838 -3.715 3.492 87 H LYS 11 H LYS 11 -3.789 -0.473 6.384 88 HA LYS 11 HA LYS 11 -5.746 -2.156 7.857 89 HB2 LYS 11 2HB LYS 11 -4.190 -0.734 9.261 90 HB3 LYS 11 3HB LYS 11 -4.833 0.700 8.469 91 HG2 LYS 11 2HG LYS 11 -7.135 -0.004 9.339 92 HG3 LYS 11 3HG LYS 11 -6.301 -1.219 10.304 93 HD2 LYS 11 2HD LYS 11 -6.735 0.696 11.712 94 HD3 LYS 11 3HD LYS 11 -4.996 0.635 11.408 95 HE2 LYS 11 2HE LYS 11 -5.238 2.391 9.682 96 HE3 LYS 11 3HE LYS 11 -6.982 2.430 9.960 97 HZ1 LYS 11 3HZ LYS 11 -5.913 4.217 11.132 98 HZ2 LYS 11 1HZ LYS 11 -4.882 3.148 11.939 99 HZ3 LYS 11 2HZ LYS 11 -6.542 3.121 12.250 100 H ILE 12 H ILE 12 -7.587 -2.212 6.626 101 HA ILE 12 HA ILE 12 -8.471 0.260 5.237 102 HB ILE 12 HB ILE 12 -7.769 -1.299 3.552 103 HG12 ILE 12 2HG1 ILE 12 -10.820 -1.406 3.690 104 HG13 ILE 12 3HG1 ILE 12 -9.884 -0.040 3.092 105 HG21 ILE 12 1HG2 ILE 12 -9.547 -3.427 4.791 106 HG22 ILE 12 2HG2 ILE 12 -7.784 -3.395 4.838 107 HG23 ILE 12 3HG2 ILE 12 -8.621 -3.597 3.297 108 HD11 ILE 12 3HD1 ILE 12 -10.017 -2.792 1.863 109 HD12 ILE 12 1HD1 ILE 12 -9.022 -1.455 1.277 110 HD13 ILE 12 2HD1 ILE 12 -10.779 -1.317 1.266 111 H THR 13 H THR 13 -10.340 1.072 5.931 112 HA THR 13 HA THR 13 -12.214 -0.560 7.503 113 HB THR 13 HB THR 13 -12.184 2.462 7.041 114 HG1 THR 13 HG1 THR 13 -11.325 0.940 9.305 115 HG21 THR 13 3HG2 THR 13 -13.727 0.791 9.068 116 HG22 THR 13 1HG2 THR 13 -14.429 1.629 7.674 117 HG23 THR 13 2HG2 THR 13 -13.706 2.552 8.988 118 H CYS 14 H CYS 14 -13.678 -1.601 6.311 119 HA CYS 14 HA CYS 14 -15.319 -0.223 4.311 120 HB2 CYS 14 2HB CYS 14 -13.714 -1.252 2.857 121 HB3 CYS 14 3HB CYS 14 -13.711 -2.745 3.791 122 H ASN 15 H ASN 15 -17.417 -0.719 4.580 123 HA ASN 15 HA ASN 15 -19.374 -1.701 5.139 124 HB2 ASN 15 2HB ASN 15 -18.167 -3.585 3.744 125 HB3 ASN 15 3HB ASN 15 -17.996 -4.409 5.279 126 HD21 ASN 15 1HD2 ASN 15 -20.684 -3.597 6.279 127 HD22 ASN 15 2HD2 ASN 15 -21.805 -4.527 5.361 128 H GLY 16 H GLY 16 -17.725 -0.633 7.182 129 HA2 GLY 16 2HA GLY 16 -17.920 -0.266 9.438 130 HA3 GLY 16 3HA GLY 16 -19.148 -1.519 9.496 131 H LYS 17 H LYS 17 -16.283 -2.682 8.128 132 HA LYS 17 HA LYS 17 -15.164 -3.547 10.733 133 HB2 LYS 17 2HB LYS 17 -15.484 -5.137 8.150 134 HB3 LYS 17 3HB LYS 17 -14.401 -5.646 9.434 135 HG2 LYS 17 2HG LYS 17 -17.320 -5.177 10.061 136 HG3 LYS 17 3HG LYS 17 -16.827 -6.659 9.244 137 HD2 LYS 17 2HD LYS 17 -16.947 -7.152 11.591 138 HD3 LYS 17 3HD LYS 17 -15.242 -7.117 11.158 139 HE2 LYS 17 2HE LYS 17 -15.135 -4.779 12.106 140 HE3 LYS 17 3HE LYS 17 -16.798 -4.980 12.657 141 HZ1 LYS 17 3HZ LYS 17 -14.491 -6.668 13.474 142 HZ2 LYS 17 1HZ LYS 17 -16.084 -6.846 14.008 143 HZ3 LYS 17 2HZ LYS 17 -15.210 -5.460 14.414 144 H THR 18 H THR 18 -12.964 -3.486 10.949 145 HA THR 18 HA THR 18 -11.413 -2.169 8.794 146 HB THR 18 HB THR 18 -10.978 -2.071 11.821 147 HG1 THR 18 HG1 THR 18 -12.757 -0.811 10.673 148 HG21 THR 18 3HG2 THR 18 -9.485 -0.619 9.596 149 HG22 THR 18 1HG2 THR 18 -8.825 -1.923 10.589 150 HG23 THR 18 2HG2 THR 18 -9.248 -0.378 11.328 151 H TYR 19 H TYR 19 -9.927 -3.401 7.873 152 HA TYR 19 HA TYR 19 -9.200 -6.031 9.018 153 HB2 TYR 19 2HB TYR 19 -9.075 -5.226 6.072 154 HB3 TYR 19 3HB TYR 19 -9.032 -6.846 6.751 155 HD1 TYR 19 HD2 TYR 19 -11.236 -3.956 5.986 156 HD2 TYR 19 HD1 TYR 19 -11.110 -8.051 7.211 157 HE1 TYR 19 HE2 TYR 19 -13.649 -4.136 5.594 158 HE2 TYR 19 HE1 TYR 19 -13.538 -8.229 6.814 159 HH TYR 19 HH TYR 19 -15.345 -5.707 5.221 160 H GLU 20 H GLU 20 -7.150 -5.846 9.886 161 HA GLU 20 HA GLU 20 -5.091 -4.427 8.313 162 HB2 GLU 20 2HB GLU 20 -4.072 -3.642 10.464 163 HB3 GLU 20 3HB GLU 20 -5.622 -2.926 10.074 164 HG2 GLU 20 2HG GLU 20 -5.729 -3.281 12.380 165 HG3 GLU 20 3HG GLU 20 -6.656 -4.616 11.697 166 H ARG 21 H ARG 21 -3.105 -5.291 8.200 167 HA ARG 21 HA ARG 21 -2.096 -7.407 9.815 168 HB2 ARG 21 2HB ARG 21 -3.668 -8.803 8.524 169 HB3 ARG 21 3HB ARG 21 -3.055 -8.151 7.005 170 HG2 ARG 21 2HG ARG 21 -0.877 -9.223 7.394 171 HG3 ARG 21 3HG ARG 21 -1.432 -9.832 8.952 172 HD2 ARG 21 2HD ARG 21 -3.060 -11.270 7.867 173 HD3 ARG 21 3HD ARG 21 -2.685 -10.568 6.289 174 HE ARG 21 HE ARG 21 -0.282 -11.503 7.036 175 HH11 ARG 21 1HH1 ARG 21 -3.422 -13.081 7.085 176 HH12 ARG 21 2HH1 ARG 21 -2.761 -14.658 6.830 177 HH21 ARG 21 1HH2 ARG 21 0.562 -13.580 6.682 178 HH22 ARG 21 2HH2 ARG 21 -0.506 -14.947 6.600 179 H THR 22 H THR 22 0.077 -7.622 9.526 180 HA THR 22 HA THR 22 1.493 -5.876 7.665 181 HB THR 22 HB THR 22 2.620 -7.741 9.813 182 HG1 THR 22 HG1 THR 22 1.153 -5.555 10.143 183 HG21 THR 22 3HG2 THR 22 4.272 -6.997 8.112 184 HG22 THR 22 1HG2 THR 22 4.605 -6.276 9.689 185 HG23 THR 22 2HG2 THR 22 3.835 -5.315 8.427 186 H TYR 23 H TYR 23 2.047 -6.664 5.703 187 HA TYR 23 HA TYR 23 2.235 -9.570 5.203 188 HB2 TYR 23 2HB TYR 23 2.029 -7.280 3.182 189 HB3 TYR 23 3HB TYR 23 1.916 -9.003 2.827 190 HD1 TYR 23 HD2 TYR 23 -0.120 -10.299 3.551 191 HD2 TYR 23 HD1 TYR 23 0.100 -6.053 4.026 192 HE1 TYR 23 HE2 TYR 23 -2.554 -10.202 3.868 193 HE2 TYR 23 HE1 TYR 23 -2.331 -5.966 4.345 194 HH TYR 23 HH TYR 23 -4.211 -8.688 4.937 195 H GLN 24 H GLN 24 4.113 -10.479 4.503 196 HA GLN 24 HA GLN 24 6.574 -8.846 4.600 197 HB2 GLN 24 2HB GLN 24 6.175 -11.879 4.579 198 HB3 GLN 24 3HB GLN 24 7.749 -11.100 4.504 199 HG2 GLN 24 2HG GLN 24 7.348 -11.870 6.755 200 HG3 GLN 24 3HG GLN 24 7.367 -10.111 6.740 201 HE21 GLN 24 1HE2 GLN 24 5.507 -9.001 7.329 202 HE22 GLN 24 2HE2 GLN 24 4.089 -9.777 7.946 203 H LEU 25 H LEU 25 6.984 -7.938 2.673 204 HA LEU 25 HA LEU 25 6.554 -9.480 0.181 205 HB2 LEU 25 2HB LEU 25 6.644 -6.456 0.585 206 HB3 LEU 25 3HB LEU 25 6.406 -7.272 -0.955 207 HG LEU 25 HG LEU 25 4.488 -7.257 1.413 208 HD11 LEU 25 1HD1 LEU 25 4.159 -6.125 -1.380 209 HD12 LEU 25 2HD1 LEU 25 4.426 -5.200 0.102 210 HD13 LEU 25 3HD1 LEU 25 2.939 -6.123 -0.103 211 HD21 LEU 25 3HD2 LEU 25 4.461 -9.487 0.391 212 HD22 LEU 25 1HD2 LEU 25 4.179 -8.775 -1.201 213 HD23 LEU 25 2HD2 LEU 25 2.960 -8.628 0.069 214 H TYR 26 H TYR 26 8.454 -10.504 -0.055 215 HA TYR 26 HA TYR 26 11.016 -9.089 0.120 216 HB2 TYR 26 2HB TYR 26 10.698 -11.420 1.078 217 HB3 TYR 26 3HB TYR 26 10.492 -12.025 -0.563 218 HD1 TYR 26 HD1 TYR 26 12.891 -10.540 1.817 219 HD2 TYR 26 HD2 TYR 26 12.473 -12.323 -2.035 220 HE1 TYR 26 HE1 TYR 26 15.324 -10.710 1.653 221 HE2 TYR 26 HE2 TYR 26 14.930 -12.506 -2.206 222 HH TYR 26 HH TYR 26 17.009 -11.866 0.505 223 H ALA 27 H ALA 27 12.356 -8.796 -1.649 224 HA ALA 27 HA ALA 27 11.698 -9.631 -4.348 225 HB1 ALA 27 3HB ALA 27 10.205 -7.678 -4.106 226 HB2 ALA 27 1HB ALA 27 11.517 -7.309 -5.219 227 HB3 ALA 27 2HB ALA 27 11.561 -6.684 -3.569 228 H VAL 28 H VAL 28 13.458 -9.073 -5.831 229 HA VAL 28 HA VAL 28 16.059 -8.733 -4.624 230 HB VAL 28 HB VAL 28 15.181 -8.871 -7.550 231 HG11 VAL 28 1HG1 VAL 28 17.566 -9.076 -8.180 232 HG12 VAL 28 2HG1 VAL 28 18.039 -8.757 -6.510 233 HG13 VAL 28 3HG1 VAL 28 17.228 -7.503 -7.447 234 HG21 VAL 28 3HG2 VAL 28 16.240 -11.111 -7.511 235 HG22 VAL 28 1HG2 VAL 28 14.962 -10.988 -6.298 236 HG23 VAL 28 2HG2 VAL 28 16.655 -10.892 -5.809 237 H ARG 29 H ARG 29 14.399 -6.781 -7.166 238 HA ARG 29 HA ARG 29 15.658 -4.334 -6.110 239 HB2 ARG 29 2HB ARG 29 13.992 -4.729 -8.633 240 HB3 ARG 29 3HB ARG 29 14.808 -3.239 -8.165 241 HG2 ARG 29 2HG ARG 29 16.995 -4.327 -8.439 242 HG3 ARG 29 3HG ARG 29 16.202 -5.853 -8.841 243 HD2 ARG 29 2HD ARG 29 15.115 -4.684 -10.795 244 HD3 ARG 29 3HD ARG 29 16.101 -3.265 -10.431 245 HE ARG 29 HE ARG 29 17.799 -5.484 -10.726 246 HH11 ARG 29 1HH1 ARG 29 15.677 -3.487 -12.725 247 HH12 ARG 29 2HH1 ARG 29 16.583 -3.776 -14.178 248 HH21 ARG 29 1HH2 ARG 29 18.930 -5.898 -12.662 249 HH22 ARG 29 2HH2 ARG 29 18.420 -5.138 -14.137 250 H ASP 30 H ASP 30 14.346 -2.413 -5.850 251 HA ASP 30 HA ASP 30 11.922 -2.737 -4.384 252 HB2 ASP 30 2HB ASP 30 11.907 -0.276 -4.243 253 HB3 ASP 30 3HB ASP 30 13.510 -0.907 -3.890 254 H GLU 31 H GLU 31 12.637 -2.073 -7.774 255 HA GLU 31 HA GLU 31 10.033 -1.211 -8.573 256 HB2 GLU 31 2HB GLU 31 10.735 -1.642 -10.874 257 HB3 GLU 31 3HB GLU 31 12.016 -0.817 -9.994 258 HG2 GLU 31 2HG GLU 31 13.319 -2.828 -9.824 259 HG3 GLU 31 3HG GLU 31 11.994 -3.819 -10.435 260 H GLU 32 H GLU 32 11.388 -4.344 -7.933 261 HA GLU 32 HA GLU 32 9.449 -5.964 -9.280 262 HB2 GLU 32 2HB GLU 32 11.132 -6.681 -6.845 263 HB3 GLU 32 3HB GLU 32 10.374 -7.812 -7.962 264 HG2 GLU 32 2HG GLU 32 12.566 -5.857 -8.706 265 HG3 GLU 32 3HG GLU 32 12.840 -7.539 -8.265 266 H LEU 33 H LEU 33 9.658 -4.374 -6.202 267 HA LEU 33 HA LEU 33 7.632 -5.728 -4.766 268 HB2 LEU 33 2HB LEU 33 9.588 -3.876 -4.142 269 HB3 LEU 33 3HB LEU 33 8.169 -2.857 -4.082 270 HG LEU 33 HG LEU 33 8.733 -3.666 -1.852 271 HD11 LEU 33 1HD1 LEU 33 6.623 -4.633 -1.121 272 HD12 LEU 33 2HD1 LEU 33 6.195 -5.023 -2.789 273 HD13 LEU 33 3HD1 LEU 33 6.356 -3.337 -2.289 274 HD21 LEU 33 3HD2 LEU 33 8.690 -6.032 -1.225 275 HD22 LEU 33 1HD2 LEU 33 9.919 -5.727 -2.452 276 HD23 LEU 33 2HD2 LEU 33 8.396 -6.496 -2.902 277 H LYS 34 H LYS 34 7.520 -3.271 -7.225 278 HA LYS 34 HA LYS 34 5.171 -1.887 -6.695 279 HB2 LYS 34 2HB LYS 34 6.352 -2.677 -9.389 280 HB3 LYS 34 3HB LYS 34 5.041 -1.515 -9.191 281 HG2 LYS 34 2HG LYS 34 6.509 -0.018 -7.933 282 HG3 LYS 34 3HG LYS 34 7.814 -1.201 -8.009 283 HD2 LYS 34 2HD LYS 34 8.309 0.445 -9.663 284 HD3 LYS 34 3HD LYS 34 7.748 -0.975 -10.543 285 HE2 LYS 34 2HE LYS 34 6.061 1.471 -9.918 286 HE3 LYS 34 3HE LYS 34 6.875 1.170 -11.447 287 HZ1 LYS 34 3HZ LYS 34 5.491 -0.784 -11.762 288 HZ2 LYS 34 1HZ LYS 34 4.542 0.595 -11.561 289 HZ3 LYS 34 2HZ LYS 34 4.706 -0.504 -10.296 290 H GLU 35 H GLU 35 5.476 -4.758 -8.851 291 HA GLU 35 HA GLU 35 2.687 -5.019 -9.251 292 HB2 GLU 35 2HB GLU 35 3.260 -7.241 -10.290 293 HB3 GLU 35 3HB GLU 35 4.126 -5.864 -10.946 294 HG2 GLU 35 2HG GLU 35 5.738 -7.552 -10.854 295 HG3 GLU 35 3HG GLU 35 6.088 -6.557 -9.444 296 H LYS 36 H LYS 36 4.788 -6.196 -6.742 297 HA LYS 36 HA LYS 36 3.104 -8.230 -5.665 298 HB2 LYS 36 2HB LYS 36 5.217 -6.574 -4.202 299 HB3 LYS 36 3HB LYS 36 4.548 -8.124 -3.674 300 HG2 LYS 36 2HG LYS 36 5.478 -9.195 -5.704 301 HG3 LYS 36 3HG LYS 36 6.184 -7.647 -6.178 302 HD2 LYS 36 2HD LYS 36 7.546 -7.686 -4.071 303 HD3 LYS 36 3HD LYS 36 6.896 -9.296 -3.726 304 HE2 LYS 36 2HE LYS 36 8.633 -8.475 -6.074 305 HE3 LYS 36 3HE LYS 36 9.053 -9.577 -4.765 306 HZ1 LYS 36 3HZ LYS 36 7.122 -10.027 -6.967 307 HZ2 LYS 36 1HZ LYS 36 7.205 -11.028 -5.608 308 HZ3 LYS 36 2HZ LYS 36 8.541 -10.886 -6.633 309 H LEU 37 H LEU 37 3.563 -4.789 -4.915 310 HA LEU 37 HA LEU 37 1.628 -4.494 -2.908 311 HB2 LEU 37 2HB LEU 37 2.661 -2.528 -4.975 312 HB3 LEU 37 3HB LEU 37 1.576 -2.060 -3.673 313 HG LEU 37 HG LEU 37 4.325 -3.272 -3.204 314 HD11 LEU 37 1HD1 LEU 37 3.520 -0.354 -3.188 315 HD12 LEU 37 2HD1 LEU 37 4.553 -1.151 -4.378 316 HD13 LEU 37 3HD1 LEU 37 5.088 -1.004 -2.708 317 HD21 LEU 37 3HD2 LEU 37 2.773 -3.572 -1.315 318 HD22 LEU 37 1HD2 LEU 37 2.431 -1.838 -1.300 319 HD23 LEU 37 2HD2 LEU 37 4.048 -2.428 -0.908 320 H LYS 38 H LYS 38 1.346 -4.170 -6.496 321 HA LYS 38 HA LYS 38 -1.346 -3.463 -6.687 322 HB2 LYS 38 2HB LYS 38 0.273 -5.232 -8.572 323 HB3 LYS 38 3HB LYS 38 -1.295 -4.520 -8.958 324 HG2 LYS 38 2HG LYS 38 -0.307 -2.255 -8.699 325 HG3 LYS 38 3HG LYS 38 1.265 -3.001 -8.387 326 HD2 LYS 38 2HD LYS 38 1.118 -2.287 -10.727 327 HD3 LYS 38 3HD LYS 38 1.213 -4.047 -10.635 328 HE2 LYS 38 2HE LYS 38 -1.222 -4.207 -10.987 329 HE3 LYS 38 3HE LYS 38 -1.345 -2.447 -11.022 330 HZ1 LYS 38 3HZ LYS 38 0.137 -2.485 -12.981 331 HZ2 LYS 38 1HZ LYS 38 -1.343 -3.266 -13.238 332 HZ3 LYS 38 2HZ LYS 38 0.057 -4.174 -12.980 333 H LYS 39 H LYS 39 0.159 -6.672 -6.435 334 HA LYS 39 HA LYS 39 -2.173 -8.235 -6.665 335 HB2 LYS 39 2HB LYS 39 0.516 -8.803 -5.355 336 HB3 LYS 39 3HB LYS 39 -0.764 -10.012 -5.429 337 HG2 LYS 39 2HG LYS 39 0.606 -8.705 -7.801 338 HG3 LYS 39 3HG LYS 39 0.868 -10.351 -7.225 339 HD2 LYS 39 2HD LYS 39 -1.747 -9.266 -8.367 340 HD3 LYS 39 3HD LYS 39 -0.593 -10.294 -9.220 341 HE2 LYS 39 2HE LYS 39 -1.002 -12.126 -7.685 342 HE3 LYS 39 3HE LYS 39 -2.036 -11.109 -6.679 343 HZ1 LYS 39 3HZ LYS 39 -2.611 -11.807 -9.500 344 HZ2 LYS 39 1HZ LYS 39 -3.619 -10.976 -8.438 345 HZ3 LYS 39 2HZ LYS 39 -3.270 -12.604 -8.161 346 H VAL 40 H VAL 40 -0.374 -7.319 -3.706 347 HA VAL 40 HA VAL 40 -2.134 -8.555 -1.898 348 HB VAL 40 HB VAL 40 -0.161 -6.258 -1.408 349 HG11 VAL 40 1HG1 VAL 40 -0.213 -6.900 0.993 350 HG12 VAL 40 2HG1 VAL 40 -1.514 -8.042 0.657 351 HG13 VAL 40 3HG1 VAL 40 -1.789 -6.314 0.438 352 HG21 VAL 40 3HG2 VAL 40 0.152 -9.251 -0.989 353 HG22 VAL 40 1HG2 VAL 40 1.362 -8.025 -0.594 354 HG23 VAL 40 2HG2 VAL 40 0.899 -8.303 -2.273 355 H LEU 41 H LEU 41 -2.081 -5.249 -3.171 356 HA LEU 41 HA LEU 41 -4.087 -4.199 -1.431 357 HB2 LEU 41 2HB LEU 41 -2.825 -3.214 -4.003 358 HB3 LEU 41 3HB LEU 41 -4.166 -2.341 -3.277 359 HG LEU 41 HG LEU 41 -1.572 -2.923 -1.786 360 HD11 LEU 41 1HD1 LEU 41 -1.072 -1.517 -3.724 361 HD12 LEU 41 2HD1 LEU 41 -0.925 -0.598 -2.228 362 HD13 LEU 41 3HD1 LEU 41 -2.344 -0.385 -3.260 363 HD21 LEU 41 3HD2 LEU 41 -2.371 -1.180 -0.243 364 HD22 LEU 41 1HD2 LEU 41 -3.517 -2.518 -0.338 365 HD23 LEU 41 2HD2 LEU 41 -3.855 -1.002 -1.185 366 H ASN 42 H ASN 42 -4.166 -5.392 -4.819 367 HA ASN 42 HA ASN 42 -6.937 -4.825 -5.231 368 HB2 ASN 42 2HB ASN 42 -5.222 -5.074 -7.069 369 HB3 ASN 42 3HB ASN 42 -5.188 -6.807 -6.760 370 HD21 ASN 42 1HD2 ASN 42 -5.959 -7.408 -8.760 371 HD22 ASN 42 2HD2 ASN 42 -7.549 -7.060 -9.329 372 H GLU 43 H GLU 43 -5.173 -7.615 -4.012 373 HA GLU 43 HA GLU 43 -7.426 -9.447 -4.038 374 HB2 GLU 43 2HB GLU 43 -4.647 -9.723 -2.809 375 HB3 GLU 43 3HB GLU 43 -5.858 -11.003 -2.843 376 HG2 GLU 43 2HG GLU 43 -5.781 -11.030 -5.299 377 HG3 GLU 43 3HG GLU 43 -4.610 -9.721 -5.299 378 H ARG 44 H ARG 44 -5.680 -7.482 -1.612 379 HA ARG 44 HA ARG 44 -7.177 -8.123 0.677 380 HB2 ARG 44 2HB ARG 44 -5.186 -6.697 0.856 381 HB3 ARG 44 3HB ARG 44 -5.922 -5.473 -0.162 382 HG2 ARG 44 2HG ARG 44 -5.973 -4.653 2.079 383 HG3 ARG 44 3HG ARG 44 -7.630 -5.077 1.654 384 HD2 ARG 44 2HD ARG 44 -5.790 -6.882 3.258 385 HD3 ARG 44 3HD ARG 44 -6.892 -5.713 3.982 386 HE ARG 44 HE ARG 44 -8.285 -7.481 2.234 387 HH11 ARG 44 1HH1 ARG 44 -6.889 -7.327 5.454 388 HH12 ARG 44 2HH1 ARG 44 -7.945 -8.549 6.092 389 HH21 ARG 44 1HH2 ARG 44 -9.621 -9.104 3.076 390 HH22 ARG 44 2HH2 ARG 44 -9.489 -9.553 4.745 391 H MET 45 H MET 45 -7.698 -5.819 -1.918 392 HA MET 45 HA MET 45 -10.274 -4.976 -0.893 393 HB2 MET 45 2HB MET 45 -8.675 -4.046 -3.300 394 HB3 MET 45 3HB MET 45 -10.260 -3.415 -2.873 395 HG2 MET 45 2HG MET 45 -9.256 -2.771 -0.621 396 HG3 MET 45 3HG MET 45 -7.683 -3.139 -1.329 397 HE1 MET 45 3HE MET 45 -10.494 0.185 -2.896 398 HE2 MET 45 1HE MET 45 -10.871 -0.816 -1.496 399 HE3 MET 45 2HE MET 45 -10.857 -1.528 -3.111 400 H ASP 46 H ASP 46 -9.391 -7.648 -2.639 401 HA ASP 46 HA ASP 46 -11.296 -7.606 -4.746 402 HB2 ASP 46 2HB ASP 46 -9.414 -9.171 -4.824 403 HB3 ASP 46 3HB ASP 46 -9.982 -9.998 -3.383 404 HA PRO 47 HA PRO 47 -14.436 -9.752 -1.663 405 HB2 PRO 47 2HB PRO 47 -13.925 -9.588 1.035 406 HB3 PRO 47 3HB PRO 47 -13.396 -10.965 0.044 407 HG2 PRO 47 2HG PRO 47 -11.810 -8.553 0.890 408 HG3 PRO 47 3HG PRO 47 -11.355 -10.273 0.961 409 HD2 PRO 47 2HD PRO 47 -10.489 -8.696 -1.035 410 HD3 PRO 47 3HD PRO 47 -10.929 -10.393 -1.334 411 H ILE 48 H ILE 48 -12.628 -6.855 -1.022 412 HA ILE 48 HA ILE 48 -14.631 -5.391 0.462 413 HB ILE 48 HB ILE 48 -12.052 -4.555 -0.915 414 HG12 ILE 48 2HG1 ILE 48 -11.607 -6.083 0.916 415 HG13 ILE 48 3HG1 ILE 48 -11.093 -4.475 1.399 416 HG21 ILE 48 1HG2 ILE 48 -12.097 -2.452 0.327 417 HG22 ILE 48 2HG2 ILE 48 -13.695 -2.851 0.951 418 HG23 ILE 48 3HG2 ILE 48 -13.470 -2.591 -0.775 419 HD11 ILE 48 3HD1 ILE 48 -12.134 -5.649 3.219 420 HD12 ILE 48 1HD1 ILE 48 -13.605 -5.886 2.280 421 HD13 ILE 48 2HD1 ILE 48 -13.117 -4.260 2.764 422 H LYS 49 H LYS 49 -13.595 -5.654 -2.906 423 HA LYS 49 HA LYS 49 -15.371 -3.568 -3.873 424 HB2 LYS 49 2HB LYS 49 -13.559 -5.507 -5.386 425 HB3 LYS 49 3HB LYS 49 -14.514 -4.234 -6.145 426 HG2 LYS 49 2HG LYS 49 -13.242 -2.540 -4.771 427 HG3 LYS 49 3HG LYS 49 -12.217 -3.844 -4.185 428 HD2 LYS 49 2HD LYS 49 -12.465 -2.868 -7.055 429 HD3 LYS 49 3HD LYS 49 -11.091 -2.641 -5.980 430 HE2 LYS 49 2HE LYS 49 -12.042 -5.356 -6.960 431 HE3 LYS 49 3HE LYS 49 -10.763 -4.416 -7.724 432 HZ1 LYS 49 3HZ LYS 49 -9.834 -6.057 -6.272 433 HZ2 LYS 49 1HZ LYS 49 -10.724 -5.473 -4.960 434 HZ3 LYS 49 2HZ LYS 49 -9.516 -4.519 -5.651 435 H LYS 50 H LYS 50 -15.556 -6.950 -3.184 436 HA LYS 50 HA LYS 50 -18.060 -7.425 -4.558 437 HB2 LYS 50 2HB LYS 50 -16.637 -9.339 -3.990 438 HB3 LYS 50 3HB LYS 50 -16.633 -8.894 -2.288 439 HG2 LYS 50 2HG LYS 50 -19.121 -9.360 -2.236 440 HG3 LYS 50 3HG LYS 50 -18.994 -9.964 -3.887 441 HD2 LYS 50 2HD LYS 50 -17.484 -11.100 -1.499 442 HD3 LYS 50 3HD LYS 50 -18.983 -11.769 -2.144 443 HE2 LYS 50 2HE LYS 50 -16.357 -11.561 -3.652 444 HE3 LYS 50 3HE LYS 50 -17.003 -13.022 -2.914 445 HZ1 LYS 50 3HZ LYS 50 -17.437 -12.961 -5.280 446 HZ2 LYS 50 1HZ LYS 50 -18.268 -11.499 -5.124 447 HZ3 LYS 50 2HZ LYS 50 -18.890 -12.901 -4.419 448 H LEU 51 H LEU 51 -16.994 -6.156 -1.448 449 HA LEU 51 HA LEU 51 -19.586 -6.185 -0.157 450 HB2 LEU 51 2HB LEU 51 -17.032 -4.695 0.573 451 HB3 LEU 51 3HB LEU 51 -18.486 -4.693 1.562 452 HG LEU 51 HG LEU 51 -16.777 -7.130 0.934 453 HD11 LEU 51 1HD1 LEU 51 -16.116 -7.089 3.276 454 HD12 LEU 51 2HD1 LEU 51 -17.069 -5.628 3.542 455 HD13 LEU 51 3HD1 LEU 51 -15.670 -5.586 2.469 456 HD21 LEU 51 3HD2 LEU 51 -19.117 -7.787 1.161 457 HD22 LEU 51 1HD2 LEU 51 -19.223 -6.952 2.714 458 HD23 LEU 51 2HD2 LEU 51 -18.171 -8.359 2.530 459 H GLY 52 H GLY 52 -17.744 -3.984 -2.158 460 HA2 GLY 52 2HA GLY 52 -18.393 -2.226 -3.464 461 HA3 GLY 52 3HA GLY 52 -20.060 -2.608 -3.065 462 H CYS 53 H CYS 53 -17.607 -1.845 -0.681 463 HA CYS 53 HA CYS 53 -19.074 0.302 0.467 464 HB2 CYS 53 2HB CYS 53 -16.767 0.631 1.698 465 HB3 CYS 53 3HB CYS 53 -17.713 -0.823 2.000 466 H LYS 54 H LYS 54 -19.332 2.213 -0.450 467 HA LYS 54 HA LYS 54 -18.057 3.036 -2.814 468 HB2 LYS 54 2HB LYS 54 -19.836 4.658 -0.954 469 HB3 LYS 54 3HB LYS 54 -19.423 5.103 -2.611 470 HG2 LYS 54 2HG LYS 54 -20.568 3.067 -3.447 471 HG3 LYS 54 3HG LYS 54 -20.972 2.623 -1.788 472 HD2 LYS 54 2HD LYS 54 -22.955 3.600 -2.599 473 HD3 LYS 54 3HD LYS 54 -22.215 4.894 -1.662 474 HE2 LYS 54 2HE LYS 54 -22.156 4.611 -4.686 475 HE3 LYS 54 3HE LYS 54 -23.159 5.728 -3.771 476 HZ1 LYS 54 3HZ LYS 54 -21.321 6.928 -4.610 477 HZ2 LYS 54 1HZ LYS 54 -20.206 5.777 -4.063 478 HZ3 LYS 54 2HZ LYS 54 -21.041 6.743 -2.952 479 H ARG 55 H ARG 55 -17.226 3.638 0.471 480 HA ARG 55 HA ARG 55 -14.860 5.154 -0.435 481 HB2 ARG 55 2HB ARG 55 -16.582 6.689 0.699 482 HB3 ARG 55 3HB ARG 55 -16.348 5.749 2.170 483 HG2 ARG 55 2HG ARG 55 -13.815 6.356 1.897 484 HG3 ARG 55 3HG ARG 55 -14.388 7.587 0.767 485 HD2 ARG 55 2HD ARG 55 -14.142 8.631 2.923 486 HD3 ARG 55 3HD ARG 55 -15.878 8.465 2.619 487 HE ARG 55 HE ARG 55 -14.581 6.321 4.126 488 HH11 ARG 55 1HH1 ARG 55 -16.525 9.247 4.324 489 HH12 ARG 55 2HH1 ARG 55 -17.094 8.898 5.927 490 HH21 ARG 55 1HH2 ARG 55 -15.308 5.883 6.208 491 HH22 ARG 55 2HH2 ARG 55 -16.396 6.983 6.999 492 H VAL 56 H VAL 56 -13.035 4.174 0.297 493 HA VAL 56 HA VAL 56 -13.125 2.538 2.773 494 HB VAL 56 HB VAL 56 -11.362 1.068 1.840 495 HG11 VAL 56 1HG1 VAL 56 -12.735 -0.191 0.222 496 HG12 VAL 56 2HG1 VAL 56 -13.809 1.199 0.039 497 HG13 VAL 56 3HG1 VAL 56 -13.699 0.366 1.592 498 HG21 VAL 56 3HG2 VAL 56 -10.738 1.128 -0.550 499 HG22 VAL 56 1HG2 VAL 56 -10.301 2.635 0.257 500 HG23 VAL 56 2HG2 VAL 56 -11.724 2.575 -0.783 501 H ARG 57 H ARG 57 -11.575 3.021 4.271 502 HA ARG 57 HA ARG 57 -9.591 5.133 3.630 503 HB2 ARG 57 2HB ARG 57 -11.267 5.607 5.464 504 HB3 ARG 57 3HB ARG 57 -10.619 4.242 6.369 505 HG2 ARG 57 2HG ARG 57 -8.415 5.374 6.487 506 HG3 ARG 57 3HG ARG 57 -9.069 6.735 5.575 507 HD2 ARG 57 2HD ARG 57 -10.700 7.142 7.423 508 HD3 ARG 57 3HD ARG 57 -9.957 5.828 8.341 509 HE ARG 57 HE ARG 57 -8.238 8.050 7.478 510 HH11 ARG 57 1HH1 ARG 57 -9.964 6.522 10.151 511 HH12 ARG 57 2HH1 ARG 57 -9.089 7.403 11.364 512 HH21 ARG 57 1HH2 ARG 57 -7.130 9.207 9.095 513 HH22 ARG 57 2HH2 ARG 57 -7.494 8.915 10.766 514 H ILE 58 H ILE 58 -7.731 4.155 3.042 515 HA ILE 58 HA ILE 58 -6.868 1.645 4.373 516 HB ILE 58 HB ILE 58 -5.867 2.790 1.714 517 HG12 ILE 58 2HG1 ILE 58 -7.977 0.612 2.088 518 HG13 ILE 58 3HG1 ILE 58 -8.314 2.258 1.568 519 HG21 ILE 58 1HG2 ILE 58 -5.583 -0.005 2.894 520 HG22 ILE 58 2HG2 ILE 58 -4.309 1.215 2.811 521 HG23 ILE 58 3HG2 ILE 58 -4.963 0.522 1.327 522 HD11 ILE 58 3HD1 ILE 58 -8.312 0.734 -0.302 523 HD12 ILE 58 1HD1 ILE 58 -6.662 0.231 0.063 524 HD13 ILE 58 2HD1 ILE 58 -6.989 1.889 -0.454 525 H SER 59 H SER 59 -5.543 2.319 6.105 526 HA SER 59 HA SER 59 -3.474 4.365 5.651 527 HB2 SER 59 2HB SER 59 -4.296 2.967 8.240 528 HB3 SER 59 3HB SER 59 -3.199 4.342 8.090 529 HG SER 59 HG SER 59 -5.418 5.044 6.877 530 H ILE 60 H ILE 60 -1.797 3.437 4.631 531 HA ILE 60 HA ILE 60 -0.858 0.730 5.310 532 HB ILE 60 HB ILE 60 -0.133 2.597 3.011 533 HG12 ILE 60 2HG1 ILE 60 -1.673 -0.037 3.006 534 HG13 ILE 60 3HG1 ILE 60 -2.396 1.562 2.856 535 HG21 ILE 60 1HG2 ILE 60 0.900 -0.219 3.532 536 HG22 ILE 60 2HG2 ILE 60 1.848 1.268 3.609 537 HG23 ILE 60 3HG2 ILE 60 1.192 0.718 2.067 538 HD11 ILE 60 3HD1 ILE 60 -0.528 0.247 0.889 539 HD12 ILE 60 1HD1 ILE 60 -1.168 1.889 0.745 540 HD13 ILE 60 2HD1 ILE 60 -2.263 0.508 0.713 541 H ARG 61 H ARG 61 0.566 0.725 6.986 542 HA ARG 61 HA ARG 61 2.554 2.902 7.233 543 HB2 ARG 61 2HB ARG 61 1.992 0.654 9.221 544 HB3 ARG 61 3HB ARG 61 3.010 2.071 9.471 545 HG2 ARG 61 2HG ARG 61 0.815 3.431 9.074 546 HG3 ARG 61 3HG ARG 61 -0.003 1.896 9.375 547 HD2 ARG 61 2HD ARG 61 1.860 3.378 11.262 548 HD3 ARG 61 3HD ARG 61 0.115 3.200 11.434 549 HE ARG 61 HE ARG 61 0.498 0.789 11.787 550 HH11 ARG 61 1HH1 ARG 61 3.259 2.930 12.270 551 HH12 ARG 61 2HH1 ARG 61 4.066 1.833 13.347 552 HH21 ARG 61 1HH2 ARG 61 1.574 -0.626 13.200 553 HH22 ARG 61 2HH2 ARG 61 3.109 -0.181 13.869 554 H VAL 62 H VAL 62 4.324 2.500 6.079 555 HA VAL 62 HA VAL 62 4.960 -0.258 5.281 556 HB VAL 62 HB VAL 62 4.632 1.623 3.564 557 HG11 VAL 62 1HG1 VAL 62 5.875 3.436 4.690 558 HG12 VAL 62 2HG1 VAL 62 6.483 3.144 3.057 559 HG13 VAL 62 3HG1 VAL 62 7.384 2.545 4.455 560 HG21 VAL 62 3HG2 VAL 62 7.248 0.110 3.482 561 HG22 VAL 62 1HG2 VAL 62 6.437 0.835 2.091 562 HG23 VAL 62 2HG2 VAL 62 5.671 -0.492 2.966 563 H LYS 63 H LYS 63 6.962 -1.239 5.798 564 HA LYS 63 HA LYS 63 8.308 -0.079 8.094 565 HB2 LYS 63 2HB LYS 63 7.724 -2.467 8.154 566 HB3 LYS 63 3HB LYS 63 8.725 -2.779 6.740 567 HG2 LYS 63 2HG LYS 63 10.745 -2.384 7.944 568 HG3 LYS 63 3HG LYS 63 9.901 -1.619 9.288 569 HD2 LYS 63 2HD LYS 63 9.701 -4.573 8.560 570 HD3 LYS 63 3HD LYS 63 10.732 -3.910 9.831 571 HE2 LYS 63 2HE LYS 63 8.648 -3.007 10.950 572 HE3 LYS 63 3HE LYS 63 7.693 -3.871 9.740 573 HZ1 LYS 63 3HZ LYS 63 8.663 -5.951 10.527 574 HZ2 LYS 63 1HZ LYS 63 7.873 -5.135 11.779 575 HZ3 LYS 63 2HZ LYS 63 9.564 -5.114 11.688 576 H HIS 64 H HIS 64 9.957 1.170 7.900 577 HA HIS 64 HA HIS 64 11.550 1.468 5.489 578 HB2 HIS 64 2HB HIS 64 11.784 2.894 8.189 579 HB3 HIS 64 3HB HIS 64 12.510 3.407 6.663 580 HD1 HIS 64 HD1 HIS 64 9.321 3.488 8.585 581 HD2 HIS 64 HD2 HIS 64 10.626 4.500 4.769 582 HE1 HIS 64 HE1 HIS 64 7.475 4.856 7.582 583 HE2 HIS 64 HE2 HIS 64 8.405 5.659 5.392 584 H SER 65 H SER 65 13.855 1.224 5.492 585 HA SER 65 HA SER 65 14.642 -1.273 6.547 586 HB2 SER 65 2HB SER 65 15.440 -0.386 4.374 587 HB3 SER 65 3HB SER 65 16.376 0.850 5.217 588 HG SER 65 HG SER 65 17.605 -0.800 6.160 589 H ASP 66 H ASP 66 15.764 2.011 7.307 590 HA ASP 66 HA ASP 66 16.831 1.176 9.918 591 HB2 ASP 66 2HB ASP 66 18.471 2.725 7.848 592 HB3 ASP 66 3HB ASP 66 18.962 2.432 9.506 593 H ALA 67 H ALA 67 17.856 3.450 10.841 594 HA ALA 67 HA ALA 67 15.578 5.089 11.339 595 HB1 ALA 67 3HB ALA 67 18.476 5.524 12.126 596 HB2 ALA 67 1HB ALA 67 17.269 4.629 13.051 597 HB3 ALA 67 2HB ALA 67 17.078 6.365 12.806 598 H ALA 68 H ALA 68 18.739 5.889 9.801 599 HA ALA 68 HA ALA 68 17.866 8.415 8.730 600 HB1 ALA 68 3HB ALA 68 20.252 6.693 7.943 601 HB2 ALA 68 1HB ALA 68 20.247 7.951 9.179 602 HB3 ALA 68 2HB ALA 68 20.002 8.381 7.485 603 H GLU 69 H GLU 69 17.674 5.107 7.678 604 HA GLU 69 HA GLU 69 16.966 5.672 4.955 605 HB2 GLU 69 2HB GLU 69 16.748 3.131 6.585 606 HB3 GLU 69 3HB GLU 69 16.267 3.240 4.897 607 HG2 GLU 69 2HG GLU 69 19.056 3.765 5.957 608 HG3 GLU 69 3HG GLU 69 18.523 2.273 5.184 609 H GLU 70 H GLU 70 15.167 5.950 7.879 610 HA GLU 70 HA GLU 70 12.564 5.378 6.988 611 HB2 GLU 70 2HB GLU 70 13.503 7.516 8.929 612 HB3 GLU 70 3HB GLU 70 11.801 7.191 8.614 613 HG2 GLU 70 2HG GLU 70 12.038 4.917 9.467 614 HG3 GLU 70 3HG GLU 70 13.770 5.159 9.701 615 H LYS 71 H LYS 71 14.339 8.475 6.761 616 HA LYS 71 HA LYS 71 12.328 9.795 5.215 617 HB2 LYS 71 2HB LYS 71 13.952 11.623 5.012 618 HB3 LYS 71 3HB LYS 71 13.905 11.022 6.666 619 HG2 LYS 71 2HG LYS 71 15.983 9.646 6.099 620 HG3 LYS 71 3HG LYS 71 16.079 10.562 4.595 621 HD2 LYS 71 2HD LYS 71 16.270 11.663 7.426 622 HD3 LYS 71 3HD LYS 71 17.581 11.530 6.253 623 HE2 LYS 71 2HE LYS 71 15.147 13.329 6.007 624 HE3 LYS 71 3HE LYS 71 16.780 13.837 6.424 625 HZ1 LYS 71 3HZ LYS 71 16.228 14.250 4.095 626 HZ2 LYS 71 1HZ LYS 71 16.008 12.594 3.841 627 HZ3 LYS 71 2HZ LYS 71 17.536 13.189 4.250 628 H LYS 72 H LYS 72 15.155 7.864 4.420 629 HA LYS 72 HA LYS 72 15.414 8.535 1.667 630 HB2 LYS 72 2HB LYS 72 17.179 7.379 3.057 631 HB3 LYS 72 3HB LYS 72 16.176 5.938 3.072 632 HG2 LYS 72 2HG LYS 72 17.857 5.565 1.429 633 HG3 LYS 72 3HG LYS 72 16.365 5.880 0.541 634 HD2 LYS 72 2HD LYS 72 18.268 7.027 -0.508 635 HD3 LYS 72 3HD LYS 72 17.104 8.201 0.112 636 HE2 LYS 72 2HE LYS 72 19.454 8.864 0.571 637 HE3 LYS 72 3HE LYS 72 18.535 8.640 2.058 638 HZ1 LYS 72 3HZ LYS 72 20.739 7.670 2.215 639 HZ2 LYS 72 1HZ LYS 72 20.434 6.683 0.878 640 HZ3 LYS 72 2HZ LYS 72 19.564 6.459 2.308 641 H GLU 73 H GLU 73 14.123 5.600 3.195 642 HA GLU 73 HA GLU 73 12.775 4.559 0.958 643 HB2 GLU 73 2HB GLU 73 12.383 3.929 3.918 644 HB3 GLU 73 3HB GLU 73 11.708 2.984 2.597 645 HG2 GLU 73 2HG GLU 73 14.683 3.381 3.036 646 HG3 GLU 73 3HG GLU 73 13.771 2.019 3.674 647 H ALA 74 H ALA 74 11.790 7.089 3.190 648 HA ALA 74 HA ALA 74 8.998 6.885 2.893 649 HB1 ALA 74 3HB ALA 74 10.032 8.414 4.517 650 HB2 ALA 74 1HB ALA 74 8.941 9.289 3.445 651 HB3 ALA 74 2HB ALA 74 10.688 9.393 3.202 652 H LYS 75 H LYS 75 11.248 9.061 1.155 653 HA LYS 75 HA LYS 75 9.450 9.772 -0.913 654 HB2 LYS 75 2HB LYS 75 11.408 11.142 -0.112 655 HB3 LYS 75 3HB LYS 75 12.498 9.989 -0.871 656 HG2 LYS 75 2HG LYS 75 12.282 11.949 -2.285 657 HG3 LYS 75 3HG LYS 75 11.530 10.573 -3.096 658 HD2 LYS 75 2HD LYS 75 9.297 11.375 -2.420 659 HD3 LYS 75 3HD LYS 75 10.030 12.720 -1.539 660 HE2 LYS 75 2HE LYS 75 9.178 13.509 -3.671 661 HE3 LYS 75 3HE LYS 75 10.939 13.591 -3.692 662 HZ1 LYS 75 3HZ LYS 75 10.084 12.725 -5.758 663 HZ2 LYS 75 1HZ LYS 75 9.269 11.482 -4.954 664 HZ3 LYS 75 2HZ LYS 75 10.961 11.521 -4.963 665 H LYS 76 H LYS 76 12.037 7.363 -0.735 666 HA LYS 76 HA LYS 76 12.158 6.672 -3.474 667 HB2 LYS 76 2HB LYS 76 14.023 6.265 -2.012 668 HB3 LYS 76 3HB LYS 76 13.066 5.232 -0.958 669 HG2 LYS 76 2HG LYS 76 13.032 3.460 -2.559 670 HG3 LYS 76 3HG LYS 76 13.637 4.512 -3.847 671 HD2 LYS 76 2HD LYS 76 15.819 4.658 -2.827 672 HD3 LYS 76 3HD LYS 76 15.251 3.895 -1.340 673 HE2 LYS 76 2HE LYS 76 15.374 2.498 -4.033 674 HE3 LYS 76 3HE LYS 76 16.619 2.395 -2.785 675 HZ1 LYS 76 3HZ LYS 76 14.894 1.530 -1.269 676 HZ2 LYS 76 1HZ LYS 76 15.197 0.521 -2.594 677 HZ3 LYS 76 2HZ LYS 76 13.810 1.484 -2.566 678 H PHE 77 H PHE 77 10.568 4.963 -0.719 679 HA PHE 77 HA PHE 77 9.280 3.063 -2.473 680 HB2 PHE 77 2HB PHE 77 9.916 2.737 0.062 681 HB3 PHE 77 3HB PHE 77 8.379 3.524 0.393 682 HD1 PHE 77 HD1 PHE 77 9.991 0.473 -0.929 683 HD2 PHE 77 HD2 PHE 77 6.246 2.368 -0.139 684 HE1 PHE 77 HE1 PHE 77 8.840 -1.679 -1.214 685 HE2 PHE 77 HE2 PHE 77 5.104 0.211 -0.419 686 HZ PHE 77 HZ PHE 77 6.394 -1.810 -0.956 687 H ALA 78 H ALA 78 8.517 6.263 -1.303 688 HA ALA 78 HA ALA 78 5.746 6.402 -1.775 689 HB1 ALA 78 3HB ALA 78 7.777 8.581 -2.350 690 HB2 ALA 78 1HB ALA 78 6.988 8.283 -0.805 691 HB3 ALA 78 2HB ALA 78 6.030 8.804 -2.192 692 H ALA 79 H ALA 79 8.466 6.586 -4.057 693 HA ALA 79 HA ALA 79 7.016 7.140 -6.415 694 HB1 ALA 79 3HB ALA 79 9.008 6.305 -7.600 695 HB2 ALA 79 1HB ALA 79 9.620 5.603 -6.090 696 HB3 ALA 79 2HB ALA 79 9.465 7.350 -6.257 697 H ILE 80 H ILE 80 7.978 4.103 -4.867 698 HA ILE 80 HA ILE 80 7.087 2.287 -6.831 699 HB ILE 80 HB ILE 80 7.477 1.895 -3.823 700 HG12 ILE 80 2HG1 ILE 80 9.543 2.624 -4.931 701 HG13 ILE 80 3HG1 ILE 80 9.699 0.930 -4.483 702 HG21 ILE 80 1HG2 ILE 80 7.291 -0.260 -5.958 703 HG22 ILE 80 2HG2 ILE 80 6.062 0.092 -4.746 704 HG23 ILE 80 3HG2 ILE 80 7.639 -0.516 -4.248 705 HD11 ILE 80 3HD1 ILE 80 10.651 1.333 -6.665 706 HD12 ILE 80 1HD1 ILE 80 9.131 1.999 -7.256 707 HD13 ILE 80 2HD1 ILE 80 9.240 0.289 -6.825 708 H LEU 81 H LEU 81 5.497 3.593 -3.910 709 HA LEU 81 HA LEU 81 3.053 2.144 -4.178 710 HB2 LEU 81 2HB LEU 81 3.948 4.513 -2.515 711 HB3 LEU 81 3HB LEU 81 2.255 4.053 -2.534 712 HG LEU 81 HG LEU 81 4.500 2.173 -1.701 713 HD11 LEU 81 1HD1 LEU 81 2.627 3.761 0.079 714 HD12 LEU 81 2HD1 LEU 81 4.357 4.046 -0.133 715 HD13 LEU 81 3HD1 LEU 81 3.799 2.551 0.612 716 HD21 LEU 81 3HD2 LEU 81 2.507 0.991 -2.512 717 HD22 LEU 81 1HD2 LEU 81 1.485 1.906 -1.396 718 HD23 LEU 81 2HD2 LEU 81 2.694 0.778 -0.775 719 H ASN 82 H ASN 82 4.132 5.383 -5.178 720 HA ASN 82 HA ASN 82 1.701 6.611 -5.853 721 HB2 ASN 82 2HB ASN 82 3.864 7.840 -5.709 722 HB3 ASN 82 3HB ASN 82 4.451 7.001 -7.142 723 HD21 ASN 82 1HD2 ASN 82 4.743 8.792 -8.408 724 HD22 ASN 82 2HD2 ASN 82 3.463 9.830 -8.935 725 H LYS 83 H LYS 83 3.905 4.624 -7.763 726 HA LYS 83 HA LYS 83 2.531 4.778 -10.244 727 HB2 LYS 83 2HB LYS 83 4.465 2.639 -9.262 728 HB3 LYS 83 3HB LYS 83 3.979 2.893 -10.936 729 HG2 LYS 83 2HG LYS 83 5.599 4.787 -9.216 730 HG3 LYS 83 3HG LYS 83 6.197 3.815 -10.559 731 HD2 LYS 83 2HD LYS 83 4.864 5.127 -12.143 732 HD3 LYS 83 3HD LYS 83 4.134 6.043 -10.820 733 HE2 LYS 83 2HE LYS 83 5.894 7.355 -11.905 734 HE3 LYS 83 3HE LYS 83 6.358 6.976 -10.248 735 HZ1 LYS 83 3HZ LYS 83 7.775 5.218 -11.087 736 HZ2 LYS 83 1HZ LYS 83 8.192 6.696 -11.793 737 HZ3 LYS 83 2HZ LYS 83 7.312 5.554 -12.674 738 H VAL 84 H VAL 84 2.392 2.516 -7.505 739 HA VAL 84 HA VAL 84 0.921 0.430 -8.780 740 HB VAL 84 HB VAL 84 1.387 1.123 -5.840 741 HG11 VAL 84 1HG1 VAL 84 -0.026 -1.352 -6.914 742 HG12 VAL 84 2HG1 VAL 84 -0.752 -0.084 -5.925 743 HG13 VAL 84 3HG1 VAL 84 0.501 -1.122 -5.247 744 HG21 VAL 84 3HG2 VAL 84 2.920 -0.795 -5.901 745 HG22 VAL 84 1HG2 VAL 84 3.351 0.382 -7.142 746 HG23 VAL 84 2HG2 VAL 84 2.501 -1.097 -7.589 747 H PHE 85 H PHE 85 0.010 3.062 -6.585 748 HA PHE 85 HA PHE 85 -2.765 2.640 -6.535 749 HB2 PHE 85 2HB PHE 85 -1.188 5.217 -6.119 750 HB3 PHE 85 3HB PHE 85 -2.901 5.034 -5.752 751 HD1 PHE 85 HD1 PHE 85 -3.040 2.374 -4.468 752 HD2 PHE 85 HD2 PHE 85 -0.116 5.466 -4.014 753 HE1 PHE 85 HE1 PHE 85 -2.489 1.537 -2.221 754 HE2 PHE 85 HE2 PHE 85 0.429 4.611 -1.775 755 HZ PHE 85 HZ PHE 85 -0.755 2.652 -0.878 756 H ALA 86 H ALA 86 -0.739 4.600 -8.709 757 HA ALA 86 HA ALA 86 -2.818 5.676 -10.324 758 HB1 ALA 86 3HB ALA 86 -1.028 6.257 -11.906 759 HB2 ALA 86 1HB ALA 86 0.098 5.191 -11.042 760 HB3 ALA 86 2HB ALA 86 -0.546 6.629 -10.254 761 H GLU 87 H GLU 87 -1.248 2.553 -10.293 762 HA GLU 87 HA GLU 87 -2.247 1.695 -12.908 763 HB2 GLU 87 2HB GLU 87 -0.694 0.244 -10.715 764 HB3 GLU 87 3HB GLU 87 -1.223 -0.545 -12.198 765 HG2 GLU 87 2HG GLU 87 0.187 0.946 -13.533 766 HG3 GLU 87 3HG GLU 87 0.663 1.835 -12.089 767 H LEU 88 H LEU 88 -3.566 1.998 -9.821 768 HA LEU 88 HA LEU 88 -5.413 -0.304 -10.140 769 HB2 LEU 88 2HB LEU 88 -4.675 1.267 -7.633 770 HB3 LEU 88 3HB LEU 88 -5.938 0.048 -7.692 771 HG LEU 88 HG LEU 88 -2.968 -0.468 -8.152 772 HD11 LEU 88 1HD1 LEU 88 -4.712 -1.232 -5.786 773 HD12 LEU 88 2HD1 LEU 88 -3.469 0.022 -5.804 774 HD13 LEU 88 3HD1 LEU 88 -3.013 -1.666 -6.018 775 HD21 LEU 88 3HD2 LEU 88 -4.318 -2.006 -9.497 776 HD22 LEU 88 1HD2 LEU 88 -5.256 -2.465 -8.074 777 HD23 LEU 88 2HD2 LEU 88 -3.538 -2.861 -8.170 778 H GLY 89 H GLY 89 -5.194 3.178 -9.987 779 HA2 GLY 89 2HA GLY 89 -6.934 4.402 -11.205 780 HA3 GLY 89 3HA GLY 89 -8.137 3.408 -10.401 781 H TYR 90 H TYR 90 -5.550 4.412 -8.385 782 HA TYR 90 HA TYR 90 -7.131 6.602 -7.193 783 HB2 TYR 90 2HB TYR 90 -4.638 5.358 -5.964 784 HB3 TYR 90 3HB TYR 90 -5.915 6.255 -5.155 785 HD1 TYR 90 HD2 TYR 90 -8.393 4.980 -5.725 786 HD2 TYR 90 HD1 TYR 90 -4.562 3.126 -5.287 787 HE1 TYR 90 HE2 TYR 90 -9.482 2.853 -5.132 788 HE2 TYR 90 HE1 TYR 90 -5.649 1.004 -4.690 789 HH TYR 90 HH TYR 90 -7.820 0.248 -3.770 790 H ASN 91 H ASN 91 -6.359 8.689 -7.411 791 HA ASN 91 HA ASN 91 -3.776 9.070 -8.823 792 HB2 ASN 91 2HB ASN 91 -6.411 10.465 -9.471 793 HB3 ASN 91 3HB ASN 91 -4.856 10.838 -10.205 794 HD21 ASN 91 1HD2 ASN 91 -3.935 9.334 -11.669 795 HD22 ASN 91 2HD2 ASN 91 -4.902 8.127 -12.435 796 H ASP 92 H ASP 92 -2.744 9.769 -6.937 797 HA ASP 92 HA ASP 92 -1.627 11.401 -5.855 798 HB2 ASP 92 2HB ASP 92 -3.286 13.223 -7.625 799 HB3 ASP 92 3HB ASP 92 -2.033 13.832 -6.548 800 H SER 93 H SER 93 -4.818 13.001 -6.051 801 HA SER 93 HA SER 93 -4.839 14.202 -3.537 802 HB2 SER 93 2HB SER 93 -7.267 13.296 -5.145 803 HB3 SER 93 3HB SER 93 -7.209 14.620 -3.979 804 HG SER 93 HG SER 93 -6.531 14.593 -6.616 805 H ASN 94 H ASN 94 -5.849 10.972 -4.489 806 HA ASN 94 HA ASN 94 -7.224 10.173 -2.148 807 HB2 ASN 94 2HB ASN 94 -5.613 8.416 -4.060 808 HB3 ASN 94 3HB ASN 94 -6.895 7.877 -2.977 809 HD21 ASN 94 1HD2 ASN 94 -9.067 8.285 -3.569 810 HD22 ASN 94 2HD2 ASN 94 -9.504 8.804 -5.157 811 H VAL 95 H VAL 95 -3.833 10.261 -3.009 812 HA VAL 95 HA VAL 95 -2.966 8.435 -0.880 813 HB VAL 95 HB VAL 95 -1.401 9.709 -3.189 814 HG11 VAL 95 1HG1 VAL 95 0.080 8.973 -1.358 815 HG12 VAL 95 2HG1 VAL 95 0.295 7.970 -2.793 816 HG13 VAL 95 3HG1 VAL 95 -0.628 7.354 -1.422 817 HG21 VAL 95 3HG2 VAL 95 -3.226 8.298 -4.050 818 HG22 VAL 95 1HG2 VAL 95 -2.660 6.941 -3.069 819 HG23 VAL 95 2HG2 VAL 95 -1.654 7.565 -4.381 820 H THR 96 H THR 96 -2.706 9.545 1.073 821 HA THR 96 HA THR 96 -1.086 12.047 1.066 822 HB THR 96 HB THR 96 -3.315 11.313 3.029 823 HG1 THR 96 HG1 THR 96 -3.469 12.371 0.596 824 HG21 THR 96 3HG2 THR 96 -3.038 13.625 3.875 825 HG22 THR 96 1HG2 THR 96 -1.699 13.887 2.761 826 HG23 THR 96 2HG2 THR 96 -1.540 12.709 4.070 827 H TRP 97 H TRP 97 0.818 11.828 2.146 828 HA TRP 97 HA TRP 97 1.279 9.569 3.961 829 HB2 TRP 97 2HB TRP 97 3.133 11.684 2.774 830 HB3 TRP 97 3HB TRP 97 3.666 10.513 3.979 831 HD1 TRP 97 HD1 TRP 97 2.169 10.488 0.364 832 HE1 TRP 97 HE1 TRP 97 3.082 8.408 -0.848 833 HE3 TRP 97 HE3 TRP 97 4.757 8.332 4.233 834 HZ2 TRP 97 HZ2 TRP 97 4.678 6.166 -0.254 835 HZ3 TRP 97 HZ3 TRP 97 5.948 6.214 3.824 836 HH2 TRP 97 HH2 TRP 97 5.906 5.151 1.621 837 H ASP 98 H ASP 98 1.914 9.798 6.096 838 HA ASP 98 HA ASP 98 1.947 12.296 7.508 839 HB2 ASP 98 2HB ASP 98 0.032 11.757 9.027 840 HB3 ASP 98 3HB ASP 98 -0.478 12.051 7.375 841 H GLY 99 H GLY 99 3.889 11.819 8.347 842 HA2 GLY 99 2HA GLY 99 5.362 11.060 9.938 843 HA3 GLY 99 3HA GLY 99 4.126 9.971 10.539 844 H ASP 100 H ASP 100 4.163 7.857 9.936 845 HA ASP 100 HA ASP 100 6.311 6.881 8.117 846 HB2 ASP 100 2HB ASP 100 6.313 4.820 9.408 847 HB3 ASP 100 3HB ASP 100 6.431 6.155 10.549 848 H THR 101 H THR 101 3.109 7.509 8.220 849 HA THR 101 HA THR 101 2.076 5.029 7.022 850 HB THR 101 HB THR 101 0.565 7.349 8.319 851 HG1 THR 101 HG1 THR 101 2.116 5.609 9.523 852 HG21 THR 101 3HG2 THR 101 -0.331 4.510 7.673 853 HG22 THR 101 1HG2 THR 101 -0.840 5.966 6.808 854 HG23 THR 101 2HG2 THR 101 -1.300 5.733 8.496 855 H VAL 102 H VAL 102 0.796 5.163 5.145 856 HA VAL 102 HA VAL 102 0.314 7.790 3.903 857 HB VAL 102 HB VAL 102 2.010 6.791 2.521 858 HG11 VAL 102 1HG1 VAL 102 0.364 4.253 2.342 859 HG12 VAL 102 2HG1 VAL 102 1.879 4.452 3.223 860 HG13 VAL 102 3HG1 VAL 102 1.861 4.578 1.463 861 HG21 VAL 102 3HG2 VAL 102 0.869 6.613 0.342 862 HG22 VAL 102 1HG2 VAL 102 0.198 7.926 1.314 863 HG23 VAL 102 2HG2 VAL 102 -0.679 6.401 1.164 864 H THR 103 H THR 103 -1.785 8.109 4.314 865 HA THR 103 HA THR 103 -3.712 5.919 4.382 866 HB THR 103 HB THR 103 -4.112 8.862 5.093 867 HG1 THR 103 HG1 THR 103 -2.629 8.067 6.537 868 HG21 THR 103 3HG2 THR 103 -6.063 8.029 6.372 869 HG22 THR 103 1HG2 THR 103 -5.748 6.387 5.809 870 HG23 THR 103 2HG2 THR 103 -6.231 7.640 4.659 871 H VAL 104 H VAL 104 -4.351 5.421 2.392 872 HA VAL 104 HA VAL 104 -4.950 7.437 0.343 873 HB VAL 104 HB VAL 104 -4.691 4.399 0.052 874 HG11 VAL 104 1HG1 VAL 104 -4.610 4.817 -2.387 875 HG12 VAL 104 2HG1 VAL 104 -4.867 6.542 -2.110 876 HG13 VAL 104 3HG1 VAL 104 -6.136 5.387 -1.698 877 HG21 VAL 104 3HG2 VAL 104 -2.505 4.853 -1.007 878 HG22 VAL 104 1HG2 VAL 104 -2.534 5.387 0.675 879 HG23 VAL 104 2HG2 VAL 104 -2.670 6.566 -0.632 880 H GLU 105 H GLU 105 -7.059 7.995 0.139 881 HA GLU 105 HA GLU 105 -9.219 6.244 1.067 882 HB2 GLU 105 2HB GLU 105 -9.352 8.680 1.528 883 HB3 GLU 105 3HB GLU 105 -9.293 9.024 -0.198 884 HG2 GLU 105 2HG GLU 105 -11.463 7.869 -0.512 885 HG3 GLU 105 3HG GLU 105 -11.517 7.493 1.210 886 H GLY 106 H GLY 106 -10.182 4.825 -0.311 887 HA2 GLY 106 2HA GLY 106 -9.957 5.197 -3.253 888 HA3 GLY 106 3HA GLY 106 -10.291 3.678 -2.424 889 H GLN 107 H GLN 107 -11.839 4.920 -4.548 890 HA GLN 107 HA GLN 107 -14.472 4.967 -3.209 891 HB2 GLN 107 2HB GLN 107 -13.884 7.325 -3.733 892 HB3 GLN 107 3HB GLN 107 -13.611 6.902 -5.420 893 HG2 GLN 107 2HG GLN 107 -16.018 6.264 -5.616 894 HG3 GLN 107 3HG GLN 107 -16.263 6.761 -3.944 895 HE21 GLN 107 1HE2 GLN 107 -16.305 8.988 -3.459 896 HE22 GLN 107 2HE2 GLN 107 -16.445 10.197 -4.681 897 H LEU 108 H LEU 108 -15.604 3.275 -3.989 898 HA LEU 108 HA LEU 108 -16.067 3.042 -6.808 899 HB2 LEU 108 2HB LEU 108 -15.426 0.759 -7.195 900 HB3 LEU 108 3HB LEU 108 -14.036 1.633 -6.610 901 HG LEU 108 HG LEU 108 -13.830 -0.502 -5.661 902 HD11 LEU 108 1HD1 LEU 108 -14.019 -0.297 -3.235 903 HD12 LEU 108 2HD1 LEU 108 -15.067 1.110 -3.424 904 HD13 LEU 108 3HD1 LEU 108 -13.392 1.183 -3.966 905 HD21 LEU 108 3HD2 LEU 108 -15.559 -1.811 -4.525 906 HD22 LEU 108 1HD2 LEU 108 -16.037 -1.416 -6.177 907 HD23 LEU 108 2HD2 LEU 108 -16.744 -0.538 -4.820 908 H GLU 109 H GLU 109 -18.074 2.464 -7.197 909 HA GLU 109 HA GLU 109 -19.964 2.016 -5.058 910 HB2 GLU 109 2HB GLU 109 -20.231 2.108 -8.096 911 HB3 GLU 109 3HB GLU 109 -21.601 1.751 -7.051 912 HG2 GLU 109 2HG GLU 109 -21.576 4.102 -7.775 913 HG3 GLU 109 3HG GLU 109 -21.466 3.938 -6.026 914 H GLY 110 H GLY 110 -18.726 0.195 -7.805 915 HA2 GLY 110 2HA GLY 110 -18.429 -2.273 -6.576 916 HA3 GLY 110 3HA GLY 110 -20.043 -2.265 -7.292 917 H VAL 111 H VAL 111 -16.606 -2.195 -7.939 918 HA VAL 111 HA VAL 111 -16.700 -1.769 -10.748 919 HB VAL 111 HB VAL 111 -14.364 -2.539 -10.824 920 HG11 VAL 111 1HG1 VAL 111 -14.759 -0.245 -10.053 921 HG12 VAL 111 2HG1 VAL 111 -13.347 -0.928 -9.247 922 HG13 VAL 111 3HG1 VAL 111 -14.881 -0.802 -8.380 923 HG21 VAL 111 3HG2 VAL 111 -14.503 -4.481 -9.333 924 HG22 VAL 111 1HG2 VAL 111 -14.738 -3.424 -7.939 925 HG23 VAL 111 2HG2 VAL 111 -13.204 -3.405 -8.815 926 H ASP 112 H ASP 112 -16.170 -3.339 -12.425 927 HA ASP 112 HA ASP 112 -17.814 -5.695 -12.232 928 HB2 ASP 112 2HB ASP 112 -17.680 -4.277 -14.306 929 HB3 ASP 112 3HB ASP 112 -16.011 -4.793 -14.525 930 H LEU 113 H LEU 113 -16.785 -6.988 -10.660 931 HA LEU 113 HA LEU 113 -14.143 -8.068 -10.980 932 HB2 LEU 113 2HB LEU 113 -16.532 -9.083 -9.380 933 HB3 LEU 113 3HB LEU 113 -14.931 -9.798 -9.310 934 HG LEU 113 HG LEU 113 -15.727 -7.017 -8.339 935 HD11 LEU 113 1HD1 LEU 113 -14.716 -9.433 -6.798 936 HD12 LEU 113 2HD1 LEU 113 -16.377 -8.833 -6.823 937 HD13 LEU 113 3HD1 LEU 113 -15.100 -7.848 -6.119 938 HD21 LEU 113 3HD2 LEU 113 -13.407 -6.730 -7.575 939 HD22 LEU 113 1HD2 LEU 113 -13.492 -6.878 -9.331 940 HD23 LEU 113 2HD2 LEU 113 -12.949 -8.246 -8.358 941 H GLU 114 H GLU 114 -13.873 -8.801 -12.982 942 HA GLU 114 HA GLU 114 -15.718 -10.033 -14.658 943 HB2 GLU 114 2HB GLU 114 -13.850 -10.470 -16.190 944 HB3 GLU 114 3HB GLU 114 -13.743 -8.855 -15.520 945 HG2 GLU 114 2HG GLU 114 -12.052 -11.232 -14.688 946 HG3 GLU 114 3HG GLU 114 -11.534 -9.931 -15.751 947 H HIS 115 H HIS 115 -12.976 -11.634 -12.992 948 HA HIS 115 HA HIS 115 -14.367 -14.120 -12.564 949 HB2 HIS 115 2HB HIS 115 -12.131 -14.015 -14.658 950 HB3 HIS 115 3HB HIS 115 -12.663 -15.503 -13.883 951 HD1 HIS 115 HD1 HIS 115 -13.431 -13.219 -16.658 952 HD2 HIS 115 HD2 HIS 115 -15.347 -16.300 -14.638 953 HE1 HIS 115 HE1 HIS 115 -15.381 -13.863 -18.101 954 HE2 HIS 115 HE2 HIS 115 -16.611 -15.609 -16.776 955 H HIS 116 H HIS 116 -13.289 -15.272 -10.942 956 HA HIS 116 HA HIS 116 -10.792 -14.121 -9.854 957 HB2 HIS 116 2HB HIS 116 -12.745 -16.161 -8.692 958 HB3 HIS 116 3HB HIS 116 -11.260 -15.649 -7.890 959 HD1 HIS 116 HD1 HIS 116 -14.764 -14.901 -7.892 960 HD2 HIS 116 HD2 HIS 116 -11.285 -12.654 -7.561 961 HE1 HIS 116 HE1 HIS 116 -15.459 -12.721 -6.848 962 HE2 HIS 116 HE2 HIS 116 -13.305 -11.463 -6.507 963 H HIS 117 H HIS 117 -8.911 -15.386 -9.639 964 HA HIS 117 HA HIS 117 -8.814 -17.910 -11.208 965 HB2 HIS 117 2HB HIS 117 -7.986 -15.916 -12.536 966 HB3 HIS 117 3HB HIS 117 -6.742 -15.659 -11.321 967 HD1 HIS 117 HD1 HIS 117 -7.770 -18.089 -14.026 968 HD2 HIS 117 HD2 HIS 117 -4.479 -17.255 -11.623 969 HE1 HIS 117 HE1 HIS 117 -5.888 -19.465 -14.952 970 HE2 HIS 117 HE2 HIS 117 -3.877 -18.819 -13.587 971 H HIS 118 H HIS 118 -7.161 -19.380 -10.582 972 HA HIS 118 HA HIS 118 -6.548 -19.717 -7.878 973 HB2 HIS 118 2HB HIS 118 -5.113 -20.836 -10.335 974 HB3 HIS 118 3HB HIS 118 -4.788 -21.376 -8.694 975 HD1 HIS 118 HD1 HIS 118 -5.479 -23.623 -10.224 976 HD2 HIS 118 HD2 HIS 118 -8.509 -21.139 -8.845 977 HE1 HIS 118 HE1 HIS 118 -7.564 -25.017 -10.268 978 HE2 HIS 118 HE2 HIS 118 -9.402 -23.432 -9.610 979 H HIS 119 H HIS 119 -5.423 -18.242 -6.703 980 HA HIS 119 HA HIS 119 -3.467 -16.467 -7.732 981 HB2 HIS 119 2HB HIS 119 -3.190 -15.629 -5.509 982 HB3 HIS 119 3HB HIS 119 -4.880 -16.105 -5.613 983 HD1 HIS 119 HD1 HIS 119 -5.439 -18.510 -4.444 984 HD2 HIS 119 HD2 HIS 119 -1.817 -16.745 -3.418 985 HE1 HIS 119 HE1 HIS 119 -4.676 -19.691 -2.369 986 HE2 HIS 119 HE2 HIS 119 -2.461 -18.647 -1.800 987 H HIS 120 H HIS 120 -1.230 -16.527 -7.666 988 HA HIS 120 HA HIS 120 0.039 -19.137 -7.327 989 HB2 HIS 120 2HB HIS 120 1.329 -16.539 -8.282 990 HB3 HIS 120 3HB HIS 120 1.954 -18.173 -8.477 991 HD1 HIS 120 HD1 HIS 120 0.634 -15.702 -10.494 992 HD2 HIS 120 HD2 HIS 120 -0.349 -19.714 -10.025 993 HE1 HIS 120 HE1 HIS 120 -0.594 -16.345 -12.588 994 HE2 HIS 120 HE2 HIS 120 -1.003 -18.810 -12.351 Start of MODEL 17 1 H1 MET 1 1H MET 1 21.728 -0.554 -2.541 2 H2 MET 1 2H MET 1 23.060 -1.573 -2.741 3 H3 MET 1 3H MET 1 22.439 -1.285 -1.199 4 HA MET 1 HA MET 1 21.010 -2.652 -3.384 5 HB2 MET 1 2HB MET 1 23.030 -3.854 -2.241 6 HB3 MET 1 3HB MET 1 22.023 -3.920 -0.803 7 HG2 MET 1 2HG MET 1 21.351 -5.175 -3.477 8 HG3 MET 1 3HG MET 1 22.004 -6.024 -2.079 9 HE1 MET 1 3HE MET 1 18.314 -7.359 -2.337 10 HE2 MET 1 1HE MET 1 20.023 -7.777 -2.447 11 HE3 MET 1 2HE MET 1 19.258 -6.835 -3.730 12 H SER 2 H SER 2 19.035 -1.731 -3.149 13 HA SER 2 HA SER 2 17.960 -0.939 -0.563 14 HB2 SER 2 2HB SER 2 17.771 0.544 -2.568 15 HB3 SER 2 3HB SER 2 16.755 -0.667 -3.352 16 HG SER 2 HG SER 2 15.326 -0.402 -1.466 17 H GLY 3 H GLY 3 17.888 -3.784 -2.383 18 HA2 GLY 3 2HA GLY 3 15.148 -4.590 -2.025 19 HA3 GLY 3 3HA GLY 3 16.480 -5.580 -2.588 20 H LYS 4 H LYS 4 15.237 -4.090 0.386 21 HA LYS 4 HA LYS 4 15.959 -6.518 1.911 22 HB2 LYS 4 2HB LYS 4 16.034 -3.647 2.580 23 HB3 LYS 4 3HB LYS 4 15.024 -4.507 3.726 24 HG2 LYS 4 2HG LYS 4 17.287 -4.354 4.582 25 HG3 LYS 4 3HG LYS 4 16.887 -6.038 4.240 26 HD2 LYS 4 2HD LYS 4 19.157 -5.602 3.523 27 HD3 LYS 4 3HD LYS 4 18.157 -5.880 2.097 28 HE2 LYS 4 2HE LYS 4 19.712 -4.034 1.722 29 HE3 LYS 4 3HE LYS 4 18.056 -3.430 1.714 30 HZ1 LYS 4 3HZ LYS 4 19.535 -1.984 2.960 31 HZ2 LYS 4 1HZ LYS 4 19.960 -3.256 3.990 32 HZ3 LYS 4 2HZ LYS 4 18.376 -2.666 3.988 33 H LYS 5 H LYS 5 14.254 -6.895 3.732 34 HA LYS 5 HA LYS 5 11.676 -7.243 2.407 35 HB2 LYS 5 2HB LYS 5 12.809 -9.152 3.594 36 HB3 LYS 5 3HB LYS 5 12.604 -8.287 5.114 37 HG2 LYS 5 2HG LYS 5 10.138 -8.388 4.834 38 HG3 LYS 5 3HG LYS 5 10.351 -9.250 3.309 39 HD2 LYS 5 2HD LYS 5 9.808 -10.837 5.094 40 HD3 LYS 5 3HD LYS 5 11.452 -11.117 4.519 41 HE2 LYS 5 2HE LYS 5 12.354 -9.923 6.478 42 HE3 LYS 5 3HE LYS 5 10.718 -9.568 7.031 43 HZ1 LYS 5 3HZ LYS 5 11.542 -11.421 8.247 44 HZ2 LYS 5 1HZ LYS 5 11.993 -12.241 6.841 45 HZ3 LYS 5 2HZ LYS 5 10.360 -12.003 7.188 46 H VAL 6 H VAL 6 10.315 -5.592 2.573 47 HA VAL 6 HA VAL 6 10.076 -4.006 5.056 48 HB VAL 6 HB VAL 6 10.214 -2.613 3.034 49 HG11 VAL 6 1HG1 VAL 6 9.471 -4.247 1.345 50 HG12 VAL 6 2HG1 VAL 6 8.590 -2.725 1.189 51 HG13 VAL 6 3HG1 VAL 6 7.812 -4.122 1.940 52 HG21 VAL 6 3HG2 VAL 6 8.086 -1.323 3.198 53 HG22 VAL 6 1HG2 VAL 6 8.726 -1.765 4.786 54 HG23 VAL 6 2HG2 VAL 6 7.365 -2.656 4.104 55 H GLU 7 H GLU 7 8.134 -4.021 6.218 56 HA GLU 7 HA GLU 7 6.178 -6.125 5.493 57 HB2 GLU 7 2HB GLU 7 6.847 -4.934 8.221 58 HB3 GLU 7 3HB GLU 7 5.533 -6.074 7.925 59 HG2 GLU 7 2HG GLU 7 7.164 -7.760 7.150 60 HG3 GLU 7 3HG GLU 7 8.481 -6.622 7.433 61 H VAL 8 H VAL 8 4.563 -5.304 4.513 62 HA VAL 8 HA VAL 8 3.790 -2.486 4.762 63 HB VAL 8 HB VAL 8 3.278 -4.580 2.593 64 HG11 VAL 8 1HG1 VAL 8 1.332 -3.069 2.712 65 HG12 VAL 8 2HG1 VAL 8 2.259 -2.790 1.238 66 HG13 VAL 8 3HG1 VAL 8 2.404 -1.670 2.592 67 HG21 VAL 8 3HG2 VAL 8 4.994 -2.064 2.560 68 HG22 VAL 8 1HG2 VAL 8 4.763 -3.174 1.205 69 HG23 VAL 8 2HG2 VAL 8 5.599 -3.721 2.661 70 H GLN 9 H GLN 9 2.088 -2.102 6.064 71 HA GLN 9 HA GLN 9 0.158 -4.261 6.667 72 HB2 GLN 9 2HB GLN 9 0.796 -1.739 8.272 73 HB3 GLN 9 3HB GLN 9 -0.288 -3.043 8.760 74 HG2 GLN 9 2HG GLN 9 1.636 -4.604 8.829 75 HG3 GLN 9 3HG GLN 9 2.713 -3.285 8.368 76 HE21 GLN 9 1HE2 GLN 9 0.772 -4.644 10.920 77 HE22 GLN 9 2HE2 GLN 9 1.394 -3.651 12.191 78 H VAL 10 H VAL 10 -1.411 -4.001 5.165 79 HA VAL 10 HA VAL 10 -2.420 -1.320 4.470 80 HB VAL 10 HB VAL 10 -2.887 -4.053 3.184 81 HG11 VAL 10 1HG1 VAL 10 -4.127 -2.872 1.392 82 HG12 VAL 10 2HG1 VAL 10 -3.997 -1.361 2.295 83 HG13 VAL 10 3HG1 VAL 10 -4.943 -2.699 2.949 84 HG21 VAL 10 3HG2 VAL 10 -0.657 -3.133 2.748 85 HG22 VAL 10 1HG2 VAL 10 -1.362 -1.596 2.235 86 HG23 VAL 10 2HG2 VAL 10 -1.628 -3.051 1.276 87 H LYS 11 H LYS 11 -3.944 -0.591 5.746 88 HA LYS 11 HA LYS 11 -5.793 -2.437 7.145 89 HB2 LYS 11 2HB LYS 11 -4.218 -1.153 8.606 90 HB3 LYS 11 3HB LYS 11 -4.832 0.352 7.926 91 HG2 LYS 11 2HG LYS 11 -7.113 -0.273 8.820 92 HG3 LYS 11 3HG LYS 11 -6.354 -1.643 9.630 93 HD2 LYS 11 2HD LYS 11 -6.647 0.207 11.199 94 HD3 LYS 11 3HD LYS 11 -4.927 -0.079 10.925 95 HE2 LYS 11 2HE LYS 11 -4.781 1.854 9.467 96 HE3 LYS 11 3HE LYS 11 -6.533 2.066 9.494 97 HZ1 LYS 11 3HZ LYS 11 -4.723 2.372 11.827 98 HZ2 LYS 11 1HZ LYS 11 -6.400 2.569 11.848 99 HZ3 LYS 11 2HZ LYS 11 -5.439 3.629 10.953 100 H ILE 12 H ILE 12 -7.689 -2.432 6.024 101 HA ILE 12 HA ILE 12 -8.800 0.138 5.060 102 HB ILE 12 HB ILE 12 -8.035 -1.111 3.120 103 HG12 ILE 12 2HG1 ILE 12 -11.074 -1.318 3.287 104 HG13 ILE 12 3HG1 ILE 12 -10.182 0.157 2.932 105 HG21 ILE 12 1HG2 ILE 12 -8.847 -3.349 2.506 106 HG22 ILE 12 2HG2 ILE 12 -9.763 -3.443 4.014 107 HG23 ILE 12 3HG2 ILE 12 -7.998 -3.388 4.055 108 HD11 ILE 12 3HD1 ILE 12 -11.077 -0.821 0.919 109 HD12 ILE 12 1HD1 ILE 12 -10.233 -2.336 1.235 110 HD13 ILE 12 2HD1 ILE 12 -9.316 -0.867 0.885 111 H THR 13 H THR 13 -10.579 0.659 6.169 112 HA THR 13 HA THR 13 -12.160 -1.415 7.520 113 HB THR 13 HB THR 13 -12.223 1.612 7.802 114 HG1 THR 13 HG1 THR 13 -10.367 0.352 8.629 115 HG21 THR 13 3HG2 THR 13 -13.690 -0.503 9.447 116 HG22 THR 13 1HG2 THR 13 -14.458 0.659 8.350 117 HG23 THR 13 2HG2 THR 13 -13.643 1.221 9.807 118 H CYS 14 H CYS 14 -14.000 -2.098 6.692 119 HA CYS 14 HA CYS 14 -15.759 -0.495 5.001 120 HB2 CYS 14 2HB CYS 14 -14.139 -1.527 3.408 121 HB3 CYS 14 3HB CYS 14 -14.527 -3.121 4.040 122 H ASN 15 H ASN 15 -17.881 -1.409 4.865 123 HA ASN 15 HA ASN 15 -19.767 -2.403 5.584 124 HB2 ASN 15 2HB ASN 15 -18.812 -4.574 4.975 125 HB3 ASN 15 3HB ASN 15 -17.901 -4.647 6.480 126 HD21 ASN 15 1HD2 ASN 15 -18.819 -6.586 7.157 127 HD22 ASN 15 2HD2 ASN 15 -20.474 -6.739 7.629 128 H GLY 16 H GLY 16 -17.685 -3.544 8.204 129 HA2 GLY 16 2HA GLY 16 -18.186 -1.322 9.964 130 HA3 GLY 16 3HA GLY 16 -19.072 -2.777 10.423 131 H LYS 17 H LYS 17 -16.142 -3.405 8.805 132 HA LYS 17 HA LYS 17 -14.789 -4.168 11.331 133 HB2 LYS 17 2HB LYS 17 -14.880 -5.726 8.703 134 HB3 LYS 17 3HB LYS 17 -13.959 -6.189 10.131 135 HG2 LYS 17 2HG LYS 17 -16.060 -6.498 11.389 136 HG3 LYS 17 3HG LYS 17 -16.987 -6.017 9.964 137 HD2 LYS 17 2HD LYS 17 -16.962 -8.466 10.184 138 HD3 LYS 17 3HD LYS 17 -16.101 -7.972 8.724 139 HE2 LYS 17 2HE LYS 17 -13.942 -8.264 9.923 140 HE3 LYS 17 3HE LYS 17 -14.825 -8.780 11.360 141 HZ1 LYS 17 3HZ LYS 17 -13.982 -10.653 10.096 142 HZ2 LYS 17 1HZ LYS 17 -14.858 -10.160 8.735 143 HZ3 LYS 17 2HZ LYS 17 -15.672 -10.663 10.129 144 H THR 18 H THR 18 -12.505 -4.271 11.210 145 HA THR 18 HA THR 18 -11.213 -2.569 9.169 146 HB THR 18 HB THR 18 -10.323 -3.387 11.976 147 HG1 THR 18 HG1 THR 18 -11.412 -1.042 10.827 148 HG21 THR 18 3HG2 THR 18 -8.927 -1.514 10.027 149 HG22 THR 18 1HG2 THR 18 -8.338 -3.117 10.514 150 HG23 THR 18 2HG2 THR 18 -8.445 -1.814 11.696 151 H TYR 19 H TYR 19 -10.268 -3.713 7.576 152 HA TYR 19 HA TYR 19 -9.427 -6.523 7.984 153 HB2 TYR 19 2HB TYR 19 -9.882 -5.054 5.340 154 HB3 TYR 19 3HB TYR 19 -9.602 -6.779 5.551 155 HD1 TYR 19 HD2 TYR 19 -12.082 -4.063 5.868 156 HD2 TYR 19 HD1 TYR 19 -11.426 -8.263 6.341 157 HE1 TYR 19 HE2 TYR 19 -14.488 -4.418 6.036 158 HE2 TYR 19 HE1 TYR 19 -13.861 -8.610 6.516 159 HH TYR 19 HH TYR 19 -16.143 -6.130 5.805 160 H GLU 20 H GLU 20 -7.363 -6.406 8.689 161 HA GLU 20 HA GLU 20 -5.366 -4.987 7.055 162 HB2 GLU 20 2HB GLU 20 -4.186 -4.364 9.250 163 HB3 GLU 20 3HB GLU 20 -5.629 -3.461 8.837 164 HG2 GLU 20 2HG GLU 20 -5.691 -3.861 11.185 165 HG3 GLU 20 3HG GLU 20 -6.930 -4.878 10.448 166 H ARG 21 H ARG 21 -3.257 -5.803 7.199 167 HA ARG 21 HA ARG 21 -2.625 -8.170 8.719 168 HB2 ARG 21 2HB ARG 21 -3.863 -9.075 6.679 169 HB3 ARG 21 3HB ARG 21 -2.596 -8.388 5.674 170 HG2 ARG 21 2HG ARG 21 -0.949 -9.848 7.000 171 HG3 ARG 21 3HG ARG 21 -2.368 -10.643 7.672 172 HD2 ARG 21 2HD ARG 21 -1.436 -10.601 4.803 173 HD3 ARG 21 3HD ARG 21 -1.643 -12.000 5.861 174 HE ARG 21 HE ARG 21 -4.155 -10.933 5.685 175 HH11 ARG 21 1HH1 ARG 21 -1.832 -12.090 3.306 176 HH12 ARG 21 2HH1 ARG 21 -3.052 -12.539 2.164 177 HH21 ARG 21 1HH2 ARG 21 -5.730 -11.472 4.139 178 HH22 ARG 21 2HH2 ARG 21 -5.256 -12.190 2.634 179 H THR 22 H THR 22 -0.408 -8.425 8.889 180 HA THR 22 HA THR 22 1.330 -6.375 7.736 181 HB THR 22 HB THR 22 1.988 -8.660 9.662 182 HG1 THR 22 HG1 THR 22 0.403 -6.952 10.344 183 HG21 THR 22 3HG2 THR 22 3.997 -7.747 8.519 184 HG22 THR 22 1HG2 THR 22 3.985 -7.307 10.231 185 HG23 THR 22 2HG2 THR 22 3.535 -6.116 9.011 186 H TYR 23 H TYR 23 1.862 -6.795 5.648 187 HA TYR 23 HA TYR 23 2.220 -9.545 4.646 188 HB2 TYR 23 2HB TYR 23 2.140 -6.878 3.136 189 HB3 TYR 23 3HB TYR 23 2.216 -8.467 2.389 190 HD1 TYR 23 HD1 TYR 23 0.014 -6.126 4.265 191 HD2 TYR 23 HD2 TYR 23 0.198 -9.812 2.116 192 HE1 TYR 23 HE1 TYR 23 -2.433 -6.173 4.153 193 HE2 TYR 23 HE2 TYR 23 -2.259 -9.861 2.013 194 HH TYR 23 HH TYR 23 -4.199 -7.193 2.716 195 H GLN 24 H GLN 24 4.241 -10.339 4.509 196 HA GLN 24 HA GLN 24 6.570 -8.560 4.839 197 HB2 GLN 24 2HB GLN 24 6.387 -11.609 4.838 198 HB3 GLN 24 3HB GLN 24 7.889 -10.709 5.011 199 HG2 GLN 24 2HG GLN 24 7.234 -11.399 7.201 200 HG3 GLN 24 3HG GLN 24 6.946 -9.665 7.096 201 HE21 GLN 24 1HE2 GLN 24 5.410 -9.618 8.743 202 HE22 GLN 24 2HE2 GLN 24 3.844 -10.332 8.583 203 H LEU 25 H LEU 25 7.273 -7.676 3.014 204 HA LEU 25 HA LEU 25 7.151 -9.160 0.453 205 HB2 LEU 25 2HB LEU 25 7.011 -6.146 0.908 206 HB3 LEU 25 3HB LEU 25 6.943 -6.952 -0.654 207 HG LEU 25 HG LEU 25 4.832 -7.070 1.543 208 HD11 LEU 25 1HD1 LEU 25 3.385 -5.915 -0.048 209 HD12 LEU 25 2HD1 LEU 25 4.704 -5.831 -1.219 210 HD13 LEU 25 3HD1 LEU 25 4.823 -4.965 0.313 211 HD21 LEU 25 3HD2 LEU 25 4.828 -8.493 -1.139 212 HD22 LEU 25 1HD2 LEU 25 3.459 -8.388 -0.026 213 HD23 LEU 25 2HD2 LEU 25 4.920 -9.243 0.457 214 H TYR 26 H TYR 26 9.201 -10.017 0.435 215 HA TYR 26 HA TYR 26 11.541 -8.253 0.667 216 HB2 TYR 26 2HB TYR 26 11.702 -10.514 1.710 217 HB3 TYR 26 3HB TYR 26 11.405 -11.267 0.146 218 HD1 TYR 26 HD1 TYR 26 13.799 -9.061 1.977 219 HD2 TYR 26 HD2 TYR 26 13.278 -11.674 -1.370 220 HE1 TYR 26 HE1 TYR 26 16.190 -8.928 1.506 221 HE2 TYR 26 HE2 TYR 26 15.697 -11.539 -1.832 222 HH TYR 26 HH TYR 26 17.931 -10.264 0.385 223 H ALA 27 H ALA 27 12.584 -7.491 -1.079 224 HA ALA 27 HA ALA 27 12.066 -8.636 -3.766 225 HB1 ALA 27 3HB ALA 27 12.222 -5.676 -3.078 226 HB2 ALA 27 1HB ALA 27 10.769 -6.553 -3.566 227 HB3 ALA 27 2HB ALA 27 12.102 -6.351 -4.705 228 H VAL 28 H VAL 28 13.800 -7.890 -5.324 229 HA VAL 28 HA VAL 28 16.465 -7.880 -4.066 230 HB VAL 28 HB VAL 28 15.793 -8.090 -7.044 231 HG11 VAL 28 1HG1 VAL 28 18.080 -9.034 -7.261 232 HG12 VAL 28 2HG1 VAL 28 18.353 -8.761 -5.538 233 HG13 VAL 28 3HG1 VAL 28 18.111 -7.389 -6.621 234 HG21 VAL 28 3HG2 VAL 28 16.287 -10.369 -5.084 235 HG22 VAL 28 1HG2 VAL 28 16.102 -10.539 -6.832 236 HG23 VAL 28 2HG2 VAL 28 14.746 -9.979 -5.850 237 H ARG 29 H ARG 29 14.278 -5.893 -5.971 238 HA ARG 29 HA ARG 29 16.039 -3.531 -5.663 239 HB2 ARG 29 2HB ARG 29 14.266 -3.869 -8.114 240 HB3 ARG 29 3HB ARG 29 15.634 -2.784 -7.893 241 HG2 ARG 29 2HG ARG 29 17.201 -4.621 -8.160 242 HG3 ARG 29 3HG ARG 29 15.890 -5.801 -8.135 243 HD2 ARG 29 2HD ARG 29 15.000 -4.546 -10.236 244 HD3 ARG 29 3HD ARG 29 16.620 -3.842 -10.324 245 HE ARG 29 HE ARG 29 17.146 -6.483 -10.143 246 HH11 ARG 29 1HH1 ARG 29 14.977 -4.698 -12.271 247 HH12 ARG 29 2HH1 ARG 29 15.128 -5.842 -13.566 248 HH21 ARG 29 1HH2 ARG 29 17.279 -7.990 -11.824 249 HH22 ARG 29 2HH2 ARG 29 16.434 -7.714 -13.315 250 H ASP 30 H ASP 30 14.730 -1.476 -5.947 251 HA ASP 30 HA ASP 30 12.403 -1.375 -4.320 252 HB2 ASP 30 2HB ASP 30 12.328 1.024 -4.942 253 HB3 ASP 30 3HB ASP 30 13.964 0.532 -4.526 254 H GLU 31 H GLU 31 12.900 -1.291 -7.818 255 HA GLU 31 HA GLU 31 10.264 -0.720 -8.678 256 HB2 GLU 31 2HB GLU 31 11.082 -1.481 -10.910 257 HB3 GLU 31 3HB GLU 31 12.206 -0.374 -10.126 258 HG2 GLU 31 2HG GLU 31 13.587 -2.303 -9.406 259 HG3 GLU 31 3HG GLU 31 12.480 -3.396 -10.237 260 H GLU 32 H GLU 32 11.713 -3.654 -7.541 261 HA GLU 32 HA GLU 32 9.896 -5.507 -8.813 262 HB2 GLU 32 2HB GLU 32 11.772 -5.951 -6.449 263 HB3 GLU 32 3HB GLU 32 11.000 -7.206 -7.413 264 HG2 GLU 32 2HG GLU 32 13.078 -5.235 -8.402 265 HG3 GLU 32 3HG GLU 32 13.381 -6.915 -7.977 266 H LEU 33 H LEU 33 9.959 -3.634 -5.884 267 HA LEU 33 HA LEU 33 8.192 -5.212 -4.286 268 HB2 LEU 33 2HB LEU 33 9.961 -3.209 -3.731 269 HB3 LEU 33 3HB LEU 33 8.493 -2.264 -3.745 270 HG LEU 33 HG LEU 33 9.094 -2.899 -1.454 271 HD11 LEU 33 1HD1 LEU 33 6.700 -2.703 -1.893 272 HD12 LEU 33 2HD1 LEU 33 7.036 -3.891 -0.638 273 HD13 LEU 33 3HD1 LEU 33 6.614 -4.428 -2.267 274 HD21 LEU 33 3HD2 LEU 33 8.882 -5.794 -2.327 275 HD22 LEU 33 1HD2 LEU 33 9.139 -5.221 -0.674 276 HD23 LEU 33 2HD2 LEU 33 10.364 -4.933 -1.906 277 H LYS 34 H LYS 34 7.707 -2.907 -6.842 278 HA LYS 34 HA LYS 34 5.278 -1.683 -6.169 279 HB2 LYS 34 2HB LYS 34 6.101 -2.436 -9.000 280 HB3 LYS 34 3HB LYS 34 4.980 -1.161 -8.527 281 HG2 LYS 34 2HG LYS 34 6.896 0.034 -7.450 282 HG3 LYS 34 3HG LYS 34 7.978 -1.210 -8.080 283 HD2 LYS 34 2HD LYS 34 6.334 0.801 -9.659 284 HD3 LYS 34 3HD LYS 34 8.086 0.690 -9.559 285 HE2 LYS 34 2HE LYS 34 7.618 -0.204 -11.680 286 HE3 LYS 34 3HE LYS 34 7.785 -1.648 -10.687 287 HZ1 LYS 34 3HZ LYS 34 5.416 -1.888 -10.621 288 HZ2 LYS 34 1HZ LYS 34 5.865 -1.680 -12.234 289 HZ3 LYS 34 2HZ LYS 34 5.169 -0.400 -11.373 290 H GLU 35 H GLU 35 5.807 -4.588 -8.222 291 HA GLU 35 HA GLU 35 3.111 -5.109 -8.766 292 HB2 GLU 35 2HB GLU 35 3.836 -7.277 -9.615 293 HB3 GLU 35 3HB GLU 35 4.945 -6.019 -10.119 294 HG2 GLU 35 2HG GLU 35 6.532 -7.542 -9.536 295 HG3 GLU 35 3HG GLU 35 6.275 -6.897 -7.919 296 H LYS 36 H LYS 36 5.103 -5.988 -6.039 297 HA LYS 36 HA LYS 36 3.453 -7.993 -4.877 298 HB2 LYS 36 2HB LYS 36 5.391 -6.122 -3.434 299 HB3 LYS 36 3HB LYS 36 4.815 -7.696 -2.866 300 HG2 LYS 36 2HG LYS 36 5.944 -8.790 -4.754 301 HG3 LYS 36 3HG LYS 36 6.516 -7.221 -5.326 302 HD2 LYS 36 2HD LYS 36 7.794 -6.978 -3.178 303 HD3 LYS 36 3HD LYS 36 7.287 -8.618 -2.741 304 HE2 LYS 36 2HE LYS 36 8.985 -7.807 -5.126 305 HE3 LYS 36 3HE LYS 36 9.509 -8.719 -3.711 306 HZ1 LYS 36 3HZ LYS 36 7.931 -10.479 -4.370 307 HZ2 LYS 36 1HZ LYS 36 9.142 -10.214 -5.519 308 HZ3 LYS 36 2HZ LYS 36 7.581 -9.619 -5.784 309 H LEU 37 H LEU 37 3.753 -4.484 -4.370 310 HA LEU 37 HA LEU 37 1.771 -4.111 -2.410 311 HB2 LEU 37 2HB LEU 37 2.704 -2.233 -4.608 312 HB3 LEU 37 3HB LEU 37 1.711 -1.738 -3.244 313 HG LEU 37 HG LEU 37 4.514 -2.892 -2.954 314 HD11 LEU 37 1HD1 LEU 37 4.639 -0.789 -4.183 315 HD12 LEU 37 2HD1 LEU 37 5.293 -0.610 -2.557 316 HD13 LEU 37 3HD1 LEU 37 3.688 0.022 -2.935 317 HD21 LEU 37 3HD2 LEU 37 3.119 -3.172 -0.959 318 HD22 LEU 37 1HD2 LEU 37 2.742 -1.446 -0.957 319 HD23 LEU 37 2HD2 LEU 37 4.397 -1.996 -0.671 320 H LYS 38 H LYS 38 1.550 -4.161 -5.991 321 HA LYS 38 HA LYS 38 -1.186 -3.563 -6.271 322 HB2 LYS 38 2HB LYS 38 0.618 -5.270 -8.034 323 HB3 LYS 38 3HB LYS 38 -0.956 -4.634 -8.515 324 HG2 LYS 38 2HG LYS 38 -0.129 -2.352 -8.391 325 HG3 LYS 38 3HG LYS 38 1.414 -2.908 -7.735 326 HD2 LYS 38 2HD LYS 38 1.638 -2.368 -10.115 327 HD3 LYS 38 3HD LYS 38 1.899 -4.092 -9.845 328 HE2 LYS 38 2HE LYS 38 -0.405 -4.557 -10.628 329 HE3 LYS 38 3HE LYS 38 -0.667 -2.829 -10.879 330 HZ1 LYS 38 3HZ LYS 38 1.226 -2.902 -12.467 331 HZ2 LYS 38 1HZ LYS 38 -0.121 -3.802 -12.951 332 HZ3 LYS 38 2HZ LYS 38 1.235 -4.586 -12.321 333 H LYS 39 H LYS 39 0.527 -6.696 -5.893 334 HA LYS 39 HA LYS 39 -1.698 -8.411 -6.122 335 HB2 LYS 39 2HB LYS 39 0.809 -8.871 -4.433 336 HB3 LYS 39 3HB LYS 39 -0.347 -10.114 -4.905 337 HG2 LYS 39 2HG LYS 39 1.454 -8.548 -6.763 338 HG3 LYS 39 3HG LYS 39 1.682 -10.220 -6.271 339 HD2 LYS 39 2HD LYS 39 -0.290 -10.916 -7.506 340 HD3 LYS 39 3HD LYS 39 -0.746 -9.241 -7.833 341 HE2 LYS 39 2HE LYS 39 0.273 -10.323 -9.818 342 HE3 LYS 39 3HE LYS 39 1.231 -8.952 -9.261 343 HZ1 LYS 39 3HZ LYS 39 2.543 -10.925 -9.867 344 HZ2 LYS 39 1HZ LYS 39 1.834 -11.779 -8.597 345 HZ3 LYS 39 2HZ LYS 39 2.798 -10.429 -8.275 346 H VAL 40 H VAL 40 -0.175 -6.944 -3.266 347 HA VAL 40 HA VAL 40 -1.795 -7.906 -1.220 348 HB VAL 40 HB VAL 40 -0.221 -5.302 -1.469 349 HG11 VAL 40 1HG1 VAL 40 -1.564 -6.390 1.025 350 HG12 VAL 40 2HG1 VAL 40 -1.962 -4.886 0.192 351 HG13 VAL 40 3HG1 VAL 40 -0.402 -5.060 0.996 352 HG21 VAL 40 3HG2 VAL 40 1.139 -7.366 -1.442 353 HG22 VAL 40 1HG2 VAL 40 0.385 -7.852 0.075 354 HG23 VAL 40 2HG2 VAL 40 1.410 -6.415 0.019 355 H LEU 41 H LEU 41 -2.165 -4.903 -3.127 356 HA LEU 41 HA LEU 41 -4.383 -3.925 -1.616 357 HB2 LEU 41 2HB LEU 41 -3.094 -3.039 -4.214 358 HB3 LEU 41 3HB LEU 41 -4.534 -2.243 -3.592 359 HG LEU 41 HG LEU 41 -1.899 -2.440 -2.070 360 HD11 LEU 41 1HD1 LEU 41 -1.577 -0.071 -2.560 361 HD12 LEU 41 2HD1 LEU 41 -3.035 -0.058 -3.557 362 HD13 LEU 41 3HD1 LEU 41 -1.637 -1.018 -4.045 363 HD21 LEU 41 3HD2 LEU 41 -4.390 -0.815 -1.468 364 HD22 LEU 41 1HD2 LEU 41 -2.884 -0.806 -0.548 365 HD23 LEU 41 2HD2 LEU 41 -3.866 -2.266 -0.603 366 H ASN 42 H ASN 42 -4.146 -5.316 -4.935 367 HA ASN 42 HA ASN 42 -6.897 -5.360 -5.508 368 HB2 ASN 42 2HB ASN 42 -4.674 -7.194 -6.516 369 HB3 ASN 42 3HB ASN 42 -6.306 -7.188 -7.181 370 HD21 ASN 42 1HD2 ASN 42 -3.740 -6.581 -8.467 371 HD22 ASN 42 2HD2 ASN 42 -3.907 -5.000 -9.136 372 H GLU 43 H GLU 43 -4.871 -7.735 -3.812 373 HA GLU 43 HA GLU 43 -6.736 -9.845 -3.586 374 HB2 GLU 43 2HB GLU 43 -4.387 -10.255 -3.183 375 HB3 GLU 43 3HB GLU 43 -4.331 -9.063 -1.899 376 HG2 GLU 43 2HG GLU 43 -4.233 -11.333 -1.002 377 HG3 GLU 43 3HG GLU 43 -5.686 -10.497 -0.457 378 H ARG 44 H ARG 44 -5.843 -7.270 -1.268 379 HA ARG 44 HA ARG 44 -7.658 -8.152 0.749 380 HB2 ARG 44 2HB ARG 44 -5.517 -6.955 1.261 381 HB3 ARG 44 3HB ARG 44 -6.181 -5.495 0.544 382 HG2 ARG 44 2HG ARG 44 -6.311 -5.310 2.953 383 HG3 ARG 44 3HG ARG 44 -7.944 -5.446 2.311 384 HD2 ARG 44 2HD ARG 44 -6.377 -7.740 3.551 385 HD3 ARG 44 3HD ARG 44 -7.558 -6.757 4.415 386 HE ARG 44 HE ARG 44 -9.060 -7.650 2.402 387 HH11 ARG 44 1HH1 ARG 44 -6.891 -9.455 4.513 388 HH12 ARG 44 2HH1 ARG 44 -7.788 -10.932 4.358 389 HH21 ARG 44 1HH2 ARG 44 -10.151 -9.636 2.150 390 HH22 ARG 44 2HH2 ARG 44 -9.617 -11.032 3.026 391 H MET 45 H MET 45 -7.839 -5.778 -1.857 392 HA MET 45 HA MET 45 -10.336 -4.631 -0.865 393 HB2 MET 45 2HB MET 45 -8.644 -3.915 -3.279 394 HB3 MET 45 3HB MET 45 -10.166 -3.130 -2.891 395 HG2 MET 45 2HG MET 45 -9.094 -2.572 -0.614 396 HG3 MET 45 3HG MET 45 -7.566 -3.021 -1.369 397 HE1 MET 45 3HE MET 45 -10.614 -0.496 -1.407 398 HE2 MET 45 1HE MET 45 -10.703 -1.185 -3.033 399 HE3 MET 45 2HE MET 45 -10.216 0.494 -2.810 400 H ASP 46 H ASP 46 -9.554 -7.310 -2.715 401 HA ASP 46 HA ASP 46 -11.508 -7.265 -4.738 402 HB2 ASP 46 2HB ASP 46 -9.572 -8.854 -4.669 403 HB3 ASP 46 3HB ASP 46 -10.367 -9.738 -3.372 404 HA PRO 47 HA PRO 47 -14.691 -9.353 -1.660 405 HB2 PRO 47 2HB PRO 47 -14.199 -9.346 1.031 406 HB3 PRO 47 3HB PRO 47 -13.617 -10.652 -0.028 407 HG2 PRO 47 2HG PRO 47 -12.108 -8.240 0.968 408 HG3 PRO 47 3HG PRO 47 -11.610 -9.951 0.974 409 HD2 PRO 47 2HD PRO 47 -10.762 -8.259 -0.950 410 HD3 PRO 47 3HD PRO 47 -11.114 -9.960 -1.307 411 H ILE 48 H ILE 48 -12.886 -6.459 -0.901 412 HA ILE 48 HA ILE 48 -14.836 -5.078 0.698 413 HB ILE 48 HB ILE 48 -12.517 -3.967 -0.941 414 HG12 ILE 48 2HG1 ILE 48 -11.713 -5.572 0.730 415 HG13 ILE 48 3HG1 ILE 48 -11.235 -3.949 1.191 416 HG21 ILE 48 1HG2 ILE 48 -14.119 -2.189 -0.424 417 HG22 ILE 48 2HG2 ILE 48 -12.626 -1.961 0.485 418 HG23 ILE 48 3HG2 ILE 48 -14.058 -2.603 1.291 419 HD11 ILE 48 3HD1 ILE 48 -13.033 -3.921 2.862 420 HD12 ILE 48 1HD1 ILE 48 -11.891 -5.241 3.103 421 HD13 ILE 48 2HD1 ILE 48 -13.472 -5.567 2.396 422 H LYS 49 H LYS 49 -14.148 -5.365 -2.734 423 HA LYS 49 HA LYS 49 -15.879 -3.402 -3.791 424 HB2 LYS 49 2HB LYS 49 -14.945 -6.055 -4.958 425 HB3 LYS 49 3HB LYS 49 -15.770 -4.803 -5.885 426 HG2 LYS 49 2HG LYS 49 -13.920 -3.297 -5.696 427 HG3 LYS 49 3HG LYS 49 -13.156 -4.279 -4.442 428 HD2 LYS 49 2HD LYS 49 -12.819 -6.095 -6.108 429 HD3 LYS 49 3HD LYS 49 -13.518 -5.058 -7.353 430 HE2 LYS 49 2HE LYS 49 -11.019 -4.361 -5.773 431 HE3 LYS 49 3HE LYS 49 -11.003 -5.145 -7.353 432 HZ1 LYS 49 3HZ LYS 49 -12.092 -2.451 -6.743 433 HZ2 LYS 49 1HZ LYS 49 -12.181 -3.209 -8.253 434 HZ3 LYS 49 2HZ LYS 49 -10.681 -2.798 -7.598 435 H LYS 50 H LYS 50 -16.371 -6.775 -2.825 436 HA LYS 50 HA LYS 50 -19.087 -6.992 -3.747 437 HB2 LYS 50 2HB LYS 50 -17.242 -8.859 -3.243 438 HB3 LYS 50 3HB LYS 50 -17.915 -8.818 -1.626 439 HG2 LYS 50 2HG LYS 50 -19.503 -9.420 -4.148 440 HG3 LYS 50 3HG LYS 50 -18.810 -10.648 -3.096 441 HD2 LYS 50 2HD LYS 50 -21.018 -8.675 -2.365 442 HD3 LYS 50 3HD LYS 50 -21.212 -10.401 -2.675 443 HE2 LYS 50 2HE LYS 50 -19.803 -10.899 -0.690 444 HE3 LYS 50 3HE LYS 50 -19.653 -9.168 -0.377 445 HZ1 LYS 50 3HZ LYS 50 -21.358 -10.188 0.991 446 HZ2 LYS 50 1HZ LYS 50 -22.192 -10.704 -0.386 447 HZ3 LYS 50 2HZ LYS 50 -22.037 -9.052 -0.060 448 H LEU 51 H LEU 51 -17.513 -5.949 -0.790 449 HA LEU 51 HA LEU 51 -19.823 -5.952 0.923 450 HB2 LEU 51 2HB LEU 51 -17.211 -4.394 1.076 451 HB3 LEU 51 3HB LEU 51 -18.439 -4.356 2.334 452 HG LEU 51 HG LEU 51 -16.886 -6.832 1.473 453 HD11 LEU 51 1HD1 LEU 51 -15.464 -5.219 2.639 454 HD12 LEU 51 2HD1 LEU 51 -15.734 -6.657 3.618 455 HD13 LEU 51 3HD1 LEU 51 -16.603 -5.164 3.988 456 HD21 LEU 51 3HD2 LEU 51 -17.903 -7.922 3.425 457 HD22 LEU 51 1HD2 LEU 51 -19.125 -7.421 2.258 458 HD23 LEU 51 2HD2 LEU 51 -18.881 -6.485 3.736 459 H GLY 52 H GLY 52 -18.342 -3.674 -1.307 460 HA2 GLY 52 2HA GLY 52 -19.240 -1.971 -2.517 461 HA3 GLY 52 3HA GLY 52 -20.822 -2.416 -1.895 462 H CYS 53 H CYS 53 -17.878 -1.304 -0.242 463 HA CYS 53 HA CYS 53 -19.289 0.720 1.227 464 HB2 CYS 53 2HB CYS 53 -16.338 0.057 0.993 465 HB3 CYS 53 3HB CYS 53 -16.957 1.373 1.995 466 H LYS 54 H LYS 54 -19.834 2.622 0.476 467 HA LYS 54 HA LYS 54 -19.191 3.751 -2.003 468 HB2 LYS 54 2HB LYS 54 -20.292 5.817 -1.092 469 HB3 LYS 54 3HB LYS 54 -21.237 4.348 -0.879 470 HG2 LYS 54 2HG LYS 54 -20.573 4.233 1.488 471 HG3 LYS 54 3HG LYS 54 -19.565 5.668 1.291 472 HD2 LYS 54 2HD LYS 54 -21.710 6.213 2.377 473 HD3 LYS 54 3HD LYS 54 -21.550 7.031 0.823 474 HE2 LYS 54 2HE LYS 54 -23.832 6.141 1.177 475 HE3 LYS 54 3HE LYS 54 -23.061 5.394 -0.220 476 HZ1 LYS 54 3HZ LYS 54 -23.295 4.182 2.484 477 HZ2 LYS 54 1HZ LYS 54 -22.571 3.454 1.142 478 HZ3 LYS 54 2HZ LYS 54 -24.230 3.771 1.137 479 H ARG 55 H ARG 55 -17.522 3.927 1.023 480 HA ARG 55 HA ARG 55 -15.210 5.095 -0.220 481 HB2 ARG 55 2HB ARG 55 -16.467 7.148 0.409 482 HB3 ARG 55 3HB ARG 55 -16.561 6.591 2.076 483 HG2 ARG 55 2HG ARG 55 -14.055 6.703 2.200 484 HG3 ARG 55 3HG ARG 55 -14.040 7.376 0.567 485 HD2 ARG 55 2HD ARG 55 -13.852 9.136 2.292 486 HD3 ARG 55 3HD ARG 55 -15.320 9.316 1.331 487 HE ARG 55 HE ARG 55 -16.550 8.281 3.210 488 HH11 ARG 55 1HH1 ARG 55 -13.431 9.743 3.921 489 HH12 ARG 55 2HH1 ARG 55 -13.806 10.019 5.592 490 HH21 ARG 55 1HH2 ARG 55 -17.033 8.674 5.404 491 HH22 ARG 55 2HH2 ARG 55 -15.843 9.414 6.430 492 H VAL 56 H VAL 56 -13.385 4.425 0.796 493 HA VAL 56 HA VAL 56 -13.526 3.103 3.441 494 HB VAL 56 HB VAL 56 -11.803 1.441 2.642 495 HG11 VAL 56 1HG1 VAL 56 -13.343 -0.045 1.435 496 HG12 VAL 56 2HG1 VAL 56 -14.431 1.313 1.133 497 HG13 VAL 56 3HG1 VAL 56 -14.147 0.758 2.785 498 HG21 VAL 56 3HG2 VAL 56 -10.917 2.681 0.700 499 HG22 VAL 56 1HG2 VAL 56 -12.455 2.481 -0.147 500 HG23 VAL 56 2HG2 VAL 56 -11.457 1.072 0.224 501 H ARG 57 H ARG 57 -11.692 3.339 4.728 502 HA ARG 57 HA ARG 57 -9.601 5.225 3.838 503 HB2 ARG 57 2HB ARG 57 -10.646 5.837 5.974 504 HB3 ARG 57 3HB ARG 57 -10.344 4.229 6.631 505 HG2 ARG 57 2HG ARG 57 -7.930 4.616 6.590 506 HG3 ARG 57 3HG ARG 57 -8.160 6.170 5.793 507 HD2 ARG 57 2HD ARG 57 -9.295 7.031 7.810 508 HD3 ARG 57 3HD ARG 57 -9.068 5.470 8.604 509 HE ARG 57 HE ARG 57 -6.584 5.919 8.195 510 HH11 ARG 57 1HH1 ARG 57 -8.873 8.511 8.867 511 HH12 ARG 57 2HH1 ARG 57 -7.671 9.555 9.555 512 HH21 ARG 57 1HH2 ARG 57 -5.022 7.297 9.073 513 HH22 ARG 57 2HH2 ARG 57 -5.480 8.861 9.670 514 H ILE 58 H ILE 58 -7.866 4.249 2.980 515 HA ILE 58 HA ILE 58 -6.991 1.577 3.946 516 HB ILE 58 HB ILE 58 -6.092 2.996 1.388 517 HG12 ILE 58 2HG1 ILE 58 -8.312 0.905 1.553 518 HG13 ILE 58 3HG1 ILE 58 -8.599 2.632 1.375 519 HG21 ILE 58 1HG2 ILE 58 -5.398 0.731 0.667 520 HG22 ILE 58 2HG2 ILE 58 -5.963 0.068 2.202 521 HG23 ILE 58 3HG2 ILE 58 -4.608 1.198 2.175 522 HD11 ILE 58 3HD1 ILE 58 -8.796 1.491 -0.743 523 HD12 ILE 58 1HD1 ILE 58 -7.151 0.871 -0.605 524 HD13 ILE 58 2HD1 ILE 58 -7.434 2.608 -0.772 525 H SER 59 H SER 59 -5.570 2.072 5.655 526 HA SER 59 HA SER 59 -3.514 4.152 5.258 527 HB2 SER 59 2HB SER 59 -4.450 2.748 7.800 528 HB3 SER 59 3HB SER 59 -3.198 3.991 7.723 529 HG SER 59 HG SER 59 -4.812 5.402 6.860 530 H ILE 60 H ILE 60 -1.838 3.279 4.246 531 HA ILE 60 HA ILE 60 -0.985 0.493 4.692 532 HB ILE 60 HB ILE 60 -0.131 2.499 2.561 533 HG12 ILE 60 2HG1 ILE 60 -2.085 0.175 2.264 534 HG13 ILE 60 3HG1 ILE 60 -2.554 1.866 2.397 535 HG21 ILE 60 1HG2 ILE 60 0.826 0.553 1.361 536 HG22 ILE 60 2HG2 ILE 60 0.414 -0.481 2.730 537 HG23 ILE 60 3HG2 ILE 60 1.599 0.812 2.927 538 HD11 ILE 60 3HD1 ILE 60 -2.640 1.134 0.104 539 HD12 ILE 60 1HD1 ILE 60 -0.949 0.639 0.153 540 HD13 ILE 60 2HD1 ILE 60 -1.376 2.348 0.294 541 H ARG 61 H ARG 61 0.526 0.304 6.290 542 HA ARG 61 HA ARG 61 2.476 2.415 6.845 543 HB2 ARG 61 2HB ARG 61 1.933 -0.244 8.259 544 HB3 ARG 61 3HB ARG 61 3.180 0.895 8.740 545 HG2 ARG 61 2HG ARG 61 1.389 1.231 10.246 546 HG3 ARG 61 3HG ARG 61 1.340 2.598 9.135 547 HD2 ARG 61 2HD ARG 61 -0.562 1.660 7.960 548 HD3 ARG 61 3HD ARG 61 -0.433 0.138 8.850 549 HE ARG 61 HE ARG 61 -1.459 2.702 9.853 550 HH11 ARG 61 1HH1 ARG 61 -0.743 -0.671 10.548 551 HH12 ARG 61 2HH1 ARG 61 -1.697 -0.703 11.990 552 HH21 ARG 61 1HH2 ARG 61 -2.676 2.651 11.766 553 HH22 ARG 61 2HH2 ARG 61 -2.797 1.180 12.683 554 H VAL 62 H VAL 62 4.543 2.270 6.150 555 HA VAL 62 HA VAL 62 5.552 -0.254 4.969 556 HB VAL 62 HB VAL 62 6.276 2.674 4.500 557 HG11 VAL 62 1HG1 VAL 62 7.812 0.313 3.357 558 HG12 VAL 62 2HG1 VAL 62 8.415 1.380 4.621 559 HG13 VAL 62 3HG1 VAL 62 8.096 2.019 3.009 560 HG21 VAL 62 3HG2 VAL 62 4.352 1.722 3.245 561 HG22 VAL 62 1HG2 VAL 62 5.421 0.464 2.600 562 HG23 VAL 62 2HG2 VAL 62 5.685 2.162 2.170 563 H LYS 63 H LYS 63 6.714 -1.410 6.411 564 HA LYS 63 HA LYS 63 7.748 -0.193 8.833 565 HB2 LYS 63 2HB LYS 63 6.562 -2.504 8.627 566 HB3 LYS 63 3HB LYS 63 8.069 -3.104 7.971 567 HG2 LYS 63 2HG LYS 63 7.862 -1.815 10.713 568 HG3 LYS 63 3HG LYS 63 7.615 -3.537 10.448 569 HD2 LYS 63 2HD LYS 63 10.193 -2.009 9.882 570 HD3 LYS 63 3HD LYS 63 9.892 -3.034 11.285 571 HE2 LYS 63 2HE LYS 63 9.578 -4.974 9.699 572 HE3 LYS 63 3HE LYS 63 10.100 -3.913 8.385 573 HZ1 LYS 63 3HZ LYS 63 11.952 -5.193 9.187 574 HZ2 LYS 63 1HZ LYS 63 11.687 -4.685 10.779 575 HZ3 LYS 63 2HZ LYS 63 12.194 -3.575 9.613 576 H HIS 64 H HIS 64 9.523 0.934 8.489 577 HA HIS 64 HA HIS 64 11.373 0.578 6.366 578 HB2 HIS 64 2HB HIS 64 11.380 2.280 8.888 579 HB3 HIS 64 3HB HIS 64 12.617 2.402 7.637 580 HD1 HIS 64 HD1 HIS 64 11.133 4.900 8.152 581 HD2 HIS 64 HD2 HIS 64 9.724 2.070 5.473 582 HE1 HIS 64 HE1 HIS 64 9.686 6.158 6.537 583 HE2 HIS 64 HE2 HIS 64 9.093 4.456 4.784 584 H SER 65 H SER 65 12.762 -1.072 6.290 585 HA SER 65 HA SER 65 13.360 -2.814 8.406 586 HB2 SER 65 2HB SER 65 13.399 -3.534 6.063 587 HB3 SER 65 3HB SER 65 14.759 -2.464 5.715 588 HG SER 65 HG SER 65 16.086 -3.843 6.633 589 H ASP 66 H ASP 66 15.539 -0.509 6.751 590 HA ASP 66 HA ASP 66 17.451 -0.658 9.014 591 HB2 ASP 66 2HB ASP 66 17.886 0.231 6.125 592 HB3 ASP 66 3HB ASP 66 19.129 0.188 7.374 593 H ALA 67 H ALA 67 18.232 1.211 9.958 594 HA ALA 67 HA ALA 67 16.404 3.410 10.115 595 HB1 ALA 67 3HB ALA 67 17.904 4.259 11.872 596 HB2 ALA 67 1HB ALA 67 19.116 3.048 11.441 597 HB3 ALA 67 2HB ALA 67 17.560 2.545 12.107 598 H ALA 68 H ALA 68 19.769 3.078 8.944 599 HA ALA 68 HA ALA 68 20.126 5.806 8.220 600 HB1 ALA 68 3HB ALA 68 22.152 5.028 7.052 601 HB2 ALA 68 1HB ALA 68 21.614 3.352 7.223 602 HB3 ALA 68 2HB ALA 68 22.021 4.301 8.654 603 H GLU 69 H GLU 69 18.753 3.059 6.546 604 HA GLU 69 HA GLU 69 18.973 4.206 3.905 605 HB2 GLU 69 2HB GLU 69 17.466 1.733 4.835 606 HB3 GLU 69 3HB GLU 69 17.752 2.184 3.155 607 HG2 GLU 69 2HG GLU 69 19.836 1.395 5.211 608 HG3 GLU 69 3HG GLU 69 19.315 0.452 3.813 609 H GLU 70 H GLU 70 16.514 4.138 6.407 610 HA GLU 70 HA GLU 70 14.248 4.150 4.720 611 HB2 GLU 70 2HB GLU 70 12.933 4.519 6.691 612 HB3 GLU 70 3HB GLU 70 14.195 3.339 7.015 613 HG2 GLU 70 2HG GLU 70 15.495 5.050 8.211 614 HG3 GLU 70 3HG GLU 70 14.248 6.250 7.866 615 H LYS 71 H LYS 71 16.270 6.770 5.625 616 HA LYS 71 HA LYS 71 14.381 8.905 5.345 617 HB2 LYS 71 2HB LYS 71 17.428 8.873 5.155 618 HB3 LYS 71 3HB LYS 71 16.473 10.345 5.027 619 HG2 LYS 71 2HG LYS 71 17.274 10.279 7.266 620 HG3 LYS 71 3HG LYS 71 15.565 9.851 7.354 621 HD2 LYS 71 2HD LYS 71 16.281 7.412 7.428 622 HD3 LYS 71 3HD LYS 71 17.951 7.966 7.555 623 HE2 LYS 71 2HE LYS 71 17.113 7.422 9.769 624 HE3 LYS 71 3HE LYS 71 17.341 9.167 9.666 625 HZ1 LYS 71 3HZ LYS 71 15.254 8.596 10.743 626 HZ2 LYS 71 1HZ LYS 71 14.746 7.742 9.375 627 HZ3 LYS 71 2HZ LYS 71 14.961 9.415 9.295 628 H LYS 72 H LYS 72 16.766 7.370 3.226 629 HA LYS 72 HA LYS 72 16.083 8.730 0.811 630 HB2 LYS 72 2HB LYS 72 18.291 7.641 1.157 631 HB3 LYS 72 3HB LYS 72 17.509 6.075 1.312 632 HG2 LYS 72 2HG LYS 72 18.493 6.180 -0.876 633 HG3 LYS 72 3HG LYS 72 16.743 6.280 -1.084 634 HD2 LYS 72 2HD LYS 72 17.782 7.892 -2.567 635 HD3 LYS 72 3HD LYS 72 16.965 8.783 -1.280 636 HE2 LYS 72 2HE LYS 72 19.181 8.999 -0.105 637 HE3 LYS 72 3HE LYS 72 19.949 8.219 -1.489 638 HZ1 LYS 72 3HZ LYS 72 18.395 10.744 -1.620 639 HZ2 LYS 72 1HZ LYS 72 19.264 10.026 -2.883 640 HZ3 LYS 72 2HZ LYS 72 20.081 10.652 -1.543 641 H GLU 73 H GLU 73 15.147 5.692 2.329 642 HA GLU 73 HA GLU 73 13.966 4.450 0.104 643 HB2 GLU 73 2HB GLU 73 14.823 3.148 1.973 644 HB3 GLU 73 3HB GLU 73 13.676 3.886 3.071 645 HG2 GLU 73 2HG GLU 73 12.407 2.483 0.788 646 HG3 GLU 73 3HG GLU 73 13.357 1.429 1.827 647 H ALA 74 H ALA 74 12.443 6.111 2.918 648 HA ALA 74 HA ALA 74 9.771 5.648 2.276 649 HB1 ALA 74 3HB ALA 74 10.541 6.508 4.455 650 HB2 ALA 74 1HB ALA 74 9.235 7.493 3.790 651 HB3 ALA 74 2HB ALA 74 10.907 8.065 3.712 652 H LYS 75 H LYS 75 11.727 8.517 1.551 653 HA LYS 75 HA LYS 75 9.954 10.033 0.054 654 HB2 LYS 75 2HB LYS 75 12.105 10.879 0.866 655 HB3 LYS 75 3HB LYS 75 12.975 9.796 -0.213 656 HG2 LYS 75 2HG LYS 75 12.198 11.021 -2.171 657 HG3 LYS 75 3HG LYS 75 11.142 12.027 -1.177 658 HD2 LYS 75 2HD LYS 75 14.185 11.976 -0.982 659 HD3 LYS 75 3HD LYS 75 13.253 13.189 -1.865 660 HE2 LYS 75 2HE LYS 75 12.204 13.947 0.217 661 HE3 LYS 75 3HE LYS 75 13.010 12.667 1.123 662 HZ1 LYS 75 3HZ LYS 75 15.130 13.675 0.608 663 HZ2 LYS 75 1HZ LYS 75 14.121 14.786 1.385 664 HZ3 LYS 75 2HZ LYS 75 14.376 14.898 -0.281 665 H LYS 76 H LYS 76 12.214 7.520 -1.092 666 HA LYS 76 HA LYS 76 11.492 7.831 -3.882 667 HB2 LYS 76 2HB LYS 76 13.794 7.245 -3.123 668 HB3 LYS 76 3HB LYS 76 13.186 5.714 -2.499 669 HG2 LYS 76 2HG LYS 76 12.580 5.013 -4.776 670 HG3 LYS 76 3HG LYS 76 13.145 6.562 -5.414 671 HD2 LYS 76 2HD LYS 76 15.437 6.056 -4.784 672 HD3 LYS 76 3HD LYS 76 14.929 4.604 -3.920 673 HE2 LYS 76 2HE LYS 76 14.140 3.656 -6.102 674 HE3 LYS 76 3HE LYS 76 14.818 5.068 -6.913 675 HZ1 LYS 76 3HZ LYS 76 16.332 3.077 -5.317 676 HZ2 LYS 76 1HZ LYS 76 16.996 4.448 -6.047 677 HZ3 LYS 76 2HZ LYS 76 16.338 3.222 -6.999 678 H PHE 77 H PHE 77 10.363 5.943 -1.222 679 HA PHE 77 HA PHE 77 9.104 3.836 -2.762 680 HB2 PHE 77 2HB PHE 77 10.055 3.655 -0.308 681 HB3 PHE 77 3HB PHE 77 8.526 4.370 0.181 682 HD1 PHE 77 HD2 PHE 77 6.404 3.067 -0.085 683 HD2 PHE 77 HD1 PHE 77 10.183 1.356 -1.142 684 HE1 PHE 77 HE2 PHE 77 5.384 0.836 -0.157 685 HE2 PHE 77 HE1 PHE 77 9.140 -0.874 -1.210 686 HZ PHE 77 HZ PHE 77 6.741 -1.129 -0.720 687 H ALA 78 H ALA 78 8.317 6.960 -1.474 688 HA ALA 78 HA ALA 78 5.514 7.000 -1.740 689 HB1 ALA 78 3HB ALA 78 7.490 9.246 -2.298 690 HB2 ALA 78 1HB ALA 78 6.790 8.851 -0.727 691 HB3 ALA 78 2HB ALA 78 5.756 9.446 -2.026 692 H ALA 79 H ALA 79 8.112 7.304 -4.116 693 HA ALA 79 HA ALA 79 6.470 7.788 -6.410 694 HB1 ALA 79 3HB ALA 79 8.813 8.506 -6.315 695 HB2 ALA 79 1HB ALA 79 8.544 7.422 -7.684 696 HB3 ALA 79 2HB ALA 79 9.340 6.824 -6.224 697 H ILE 80 H ILE 80 7.910 4.894 -4.912 698 HA ILE 80 HA ILE 80 7.224 2.957 -6.855 699 HB ILE 80 HB ILE 80 7.696 2.740 -3.848 700 HG12 ILE 80 2HG1 ILE 80 9.680 3.369 -5.166 701 HG13 ILE 80 3HG1 ILE 80 9.882 1.749 -4.512 702 HG21 ILE 80 1HG2 ILE 80 7.369 0.383 -5.736 703 HG22 ILE 80 2HG2 ILE 80 6.254 0.844 -4.450 704 HG23 ILE 80 3HG2 ILE 80 7.880 0.294 -4.048 705 HD11 ILE 80 3HD1 ILE 80 10.710 1.903 -6.781 706 HD12 ILE 80 1HD1 ILE 80 9.131 2.429 -7.360 707 HD13 ILE 80 2HD1 ILE 80 9.338 0.799 -6.709 708 H LEU 81 H LEU 81 5.487 4.155 -4.010 709 HA LEU 81 HA LEU 81 3.149 2.570 -4.244 710 HB2 LEU 81 2HB LEU 81 3.775 5.178 -2.822 711 HB3 LEU 81 3HB LEU 81 2.179 4.446 -2.738 712 HG LEU 81 HG LEU 81 4.678 2.949 -1.867 713 HD11 LEU 81 1HD1 LEU 81 4.567 4.965 -0.516 714 HD12 LEU 81 2HD1 LEU 81 4.147 3.552 0.453 715 HD13 LEU 81 3HD1 LEU 81 2.878 4.640 -0.120 716 HD21 LEU 81 3HD2 LEU 81 3.083 1.565 -0.598 717 HD22 LEU 81 1HD2 LEU 81 2.727 1.539 -2.324 718 HD23 LEU 81 2HD2 LEU 81 1.737 2.516 -1.234 719 H ASN 82 H ASN 82 4.106 5.755 -5.466 720 HA ASN 82 HA ASN 82 1.615 6.612 -6.496 721 HB2 ASN 82 2HB ASN 82 3.373 8.233 -6.134 722 HB3 ASN 82 3HB ASN 82 4.476 7.367 -7.197 723 HD21 ASN 82 1HD2 ASN 82 1.480 9.231 -7.135 724 HD22 ASN 82 2HD2 ASN 82 1.624 9.845 -8.742 725 H LYS 83 H LYS 83 4.231 4.664 -7.907 726 HA LYS 83 HA LYS 83 3.207 4.331 -10.510 727 HB2 LYS 83 2HB LYS 83 4.887 2.481 -8.780 728 HB3 LYS 83 3HB LYS 83 4.460 2.080 -10.439 729 HG2 LYS 83 2HG LYS 83 6.120 4.454 -9.538 730 HG3 LYS 83 3HG LYS 83 6.720 2.978 -10.305 731 HD2 LYS 83 2HD LYS 83 5.267 3.561 -12.321 732 HD3 LYS 83 3HD LYS 83 4.952 5.122 -11.551 733 HE2 LYS 83 2HE LYS 83 7.634 4.038 -12.476 734 HE3 LYS 83 3HE LYS 83 6.742 5.395 -13.159 735 HZ1 LYS 83 3HZ LYS 83 8.540 6.164 -11.778 736 HZ2 LYS 83 1HZ LYS 83 7.961 5.292 -10.452 737 HZ3 LYS 83 2HZ LYS 83 7.068 6.586 -11.066 738 H VAL 84 H VAL 84 2.680 2.466 -7.527 739 HA VAL 84 HA VAL 84 1.205 0.316 -8.636 740 HB VAL 84 HB VAL 84 1.389 1.417 -5.792 741 HG11 VAL 84 1HG1 VAL 84 0.152 -1.219 -6.661 742 HG12 VAL 84 2HG1 VAL 84 -0.697 0.138 -5.926 743 HG13 VAL 84 3HG1 VAL 84 0.497 -0.764 -4.993 744 HG21 VAL 84 3HG2 VAL 84 2.950 -0.450 -5.421 745 HG22 VAL 84 1HG2 VAL 84 3.508 0.587 -6.735 746 HG23 VAL 84 2HG2 VAL 84 2.749 -0.964 -7.095 747 H PHE 85 H PHE 85 0.229 3.268 -6.957 748 HA PHE 85 HA PHE 85 -2.556 2.886 -6.964 749 HB2 PHE 85 2HB PHE 85 -1.006 5.516 -6.903 750 HB3 PHE 85 3HB PHE 85 -2.717 5.344 -6.517 751 HD1 PHE 85 HD1 PHE 85 -2.329 2.624 -4.944 752 HD2 PHE 85 HD2 PHE 85 -0.393 6.444 -4.734 753 HE1 PHE 85 HE1 PHE 85 -1.734 2.205 -2.594 754 HE2 PHE 85 HE2 PHE 85 0.193 6.006 -2.388 755 HZ PHE 85 HZ PHE 85 -0.468 3.892 -1.319 756 H ALA 86 H ALA 86 -0.372 4.315 -9.389 757 HA ALA 86 HA ALA 86 -2.464 5.151 -11.199 758 HB1 ALA 86 3HB ALA 86 0.500 4.731 -11.702 759 HB2 ALA 86 1HB ALA 86 -0.265 6.246 -11.214 760 HB3 ALA 86 2HB ALA 86 -0.626 5.545 -12.793 761 H GLU 87 H GLU 87 -0.650 2.191 -10.675 762 HA GLU 87 HA GLU 87 -1.384 0.942 -13.195 763 HB2 GLU 87 2HB GLU 87 -0.043 -0.155 -10.680 764 HB3 GLU 87 3HB GLU 87 -0.343 -1.124 -12.121 765 HG2 GLU 87 2HG GLU 87 1.125 0.348 -13.438 766 HG3 GLU 87 3HG GLU 87 1.404 1.362 -12.029 767 H LEU 88 H LEU 88 -2.942 1.517 -10.230 768 HA LEU 88 HA LEU 88 -4.896 -0.682 -10.614 769 HB2 LEU 88 2HB LEU 88 -4.399 0.975 -8.107 770 HB3 LEU 88 3HB LEU 88 -5.541 -0.352 -8.266 771 HG LEU 88 HG LEU 88 -2.508 -0.538 -8.278 772 HD11 LEU 88 1HD1 LEU 88 -3.480 -0.299 -6.068 773 HD12 LEU 88 2HD1 LEU 88 -2.789 -1.904 -6.282 774 HD13 LEU 88 3HD1 LEU 88 -4.541 -1.681 -6.355 775 HD21 LEU 88 3HD2 LEU 88 -3.297 -2.109 -9.941 776 HD22 LEU 88 1HD2 LEU 88 -4.481 -2.778 -8.811 777 HD23 LEU 88 2HD2 LEU 88 -2.752 -2.979 -8.512 778 H GLY 89 H GLY 89 -4.433 2.783 -10.528 779 HA2 GLY 89 2HA GLY 89 -5.950 4.031 -11.985 780 HA3 GLY 89 3HA GLY 89 -7.298 3.223 -11.213 781 H TYR 90 H TYR 90 -5.570 3.722 -8.584 782 HA TYR 90 HA TYR 90 -7.144 5.828 -7.582 783 HB2 TYR 90 2HB TYR 90 -4.478 4.875 -6.454 784 HB3 TYR 90 3HB TYR 90 -5.728 5.742 -5.574 785 HD1 TYR 90 HD2 TYR 90 -8.179 4.476 -5.842 786 HD2 TYR 90 HD1 TYR 90 -4.336 2.586 -5.933 787 HE1 TYR 90 HE2 TYR 90 -9.207 2.336 -5.205 788 HE2 TYR 90 HE1 TYR 90 -5.372 0.455 -5.297 789 HH TYR 90 HH TYR 90 -7.417 -0.341 -4.171 790 H ASN 91 H ASN 91 -6.798 7.980 -7.274 791 HA ASN 91 HA ASN 91 -4.779 9.240 -9.017 792 HB2 ASN 91 2HB ASN 91 -7.465 10.240 -7.961 793 HB3 ASN 91 3HB ASN 91 -6.355 11.232 -8.905 794 HD21 ASN 91 1HD2 ASN 91 -8.600 8.568 -9.007 795 HD22 ASN 91 2HD2 ASN 91 -8.670 8.444 -10.726 796 H ASP 92 H ASP 92 -4.075 11.440 -8.370 797 HA ASP 92 HA ASP 92 -2.487 11.460 -6.093 798 HB2 ASP 92 2HB ASP 92 -3.502 13.817 -7.749 799 HB3 ASP 92 3HB ASP 92 -2.180 13.915 -6.589 800 H SER 93 H SER 93 -5.660 12.892 -6.602 801 HA SER 93 HA SER 93 -5.974 14.410 -4.280 802 HB2 SER 93 2HB SER 93 -8.444 14.175 -4.795 803 HB3 SER 93 3HB SER 93 -7.464 14.674 -6.177 804 HG SER 93 HG SER 93 -8.874 12.330 -5.755 805 H ASN 94 H ASN 94 -6.282 10.971 -4.803 806 HA ASN 94 HA ASN 94 -7.617 10.388 -2.291 807 HB2 ASN 94 2HB ASN 94 -6.387 8.568 -4.414 808 HB3 ASN 94 3HB ASN 94 -7.330 8.002 -3.035 809 HD21 ASN 94 1HD2 ASN 94 -9.445 9.777 -2.967 810 HD22 ASN 94 2HD2 ASN 94 -10.366 9.625 -4.418 811 H VAL 95 H VAL 95 -4.308 10.640 -3.426 812 HA VAL 95 HA VAL 95 -3.189 8.871 -1.378 813 HB VAL 95 HB VAL 95 -1.726 10.681 -3.363 814 HG11 VAL 95 1HG1 VAL 95 -0.681 8.303 -1.775 815 HG12 VAL 95 2HG1 VAL 95 -0.309 9.998 -1.454 816 HG13 VAL 95 3HG1 VAL 95 0.241 9.244 -2.952 817 HG21 VAL 95 3HG2 VAL 95 -3.125 9.079 -4.594 818 HG22 VAL 95 1HG2 VAL 95 -2.432 7.739 -3.673 819 HG23 VAL 95 2HG2 VAL 95 -1.418 8.672 -4.775 820 H THR 96 H THR 96 -3.353 9.750 0.649 821 HA THR 96 HA THR 96 -2.108 12.403 1.151 822 HB THR 96 HB THR 96 -4.673 11.315 2.403 823 HG1 THR 96 HG1 THR 96 -4.272 12.751 0.223 824 HG21 THR 96 3HG2 THR 96 -4.767 13.470 3.656 825 HG22 THR 96 1HG2 THR 96 -3.159 13.874 3.062 826 HG23 THR 96 2HG2 THR 96 -3.378 12.490 4.140 827 H TRP 97 H TRP 97 -0.304 12.001 2.280 828 HA TRP 97 HA TRP 97 0.095 9.655 3.910 829 HB2 TRP 97 2HB TRP 97 1.808 12.114 3.371 830 HB3 TRP 97 3HB TRP 97 2.323 10.800 4.422 831 HD1 TRP 97 HD1 TRP 97 1.335 11.339 0.693 832 HE1 TRP 97 HE1 TRP 97 2.629 9.628 -0.722 833 HE3 TRP 97 HE3 TRP 97 3.589 8.697 4.463 834 HZ2 TRP 97 HZ2 TRP 97 4.362 7.446 -0.306 835 HZ3 TRP 97 HZ3 TRP 97 5.050 6.805 3.864 836 HH2 TRP 97 HH2 TRP 97 5.429 6.191 1.523 837 H ASP 98 H ASP 98 -0.789 9.495 5.852 838 HA ASP 98 HA ASP 98 -0.917 11.793 7.724 839 HB2 ASP 98 2HB ASP 98 -3.179 11.175 6.954 840 HB3 ASP 98 3HB ASP 98 -2.880 9.481 7.309 841 H GLY 99 H GLY 99 0.852 11.405 9.005 842 HA2 GLY 99 2HA GLY 99 1.887 10.604 10.887 843 HA3 GLY 99 3HA GLY 99 0.630 9.384 11.020 844 H ASP 100 H ASP 100 3.269 10.102 8.689 845 HA ASP 100 HA ASP 100 4.893 8.876 7.685 846 HB2 ASP 100 2HB ASP 100 4.818 7.262 10.274 847 HB3 ASP 100 3HB ASP 100 6.091 7.137 9.065 848 H THR 101 H THR 101 2.123 8.160 7.291 849 HA THR 101 HA THR 101 2.263 5.390 6.284 850 HB THR 101 HB THR 101 0.163 6.549 8.179 851 HG1 THR 101 HG1 THR 101 2.309 5.224 8.713 852 HG21 THR 101 3HG2 THR 101 0.001 3.878 6.750 853 HG22 THR 101 1HG2 THR 101 -1.028 5.280 6.420 854 HG23 THR 101 2HG2 THR 101 -1.111 4.467 7.983 855 H VAL 102 H VAL 102 0.990 5.152 4.343 856 HA VAL 102 HA VAL 102 0.009 7.705 3.218 857 HB VAL 102 HB VAL 102 1.641 6.638 1.777 858 HG11 VAL 102 1HG1 VAL 102 1.464 4.309 2.498 859 HG12 VAL 102 2HG1 VAL 102 1.339 4.431 0.741 860 HG13 VAL 102 3HG1 VAL 102 -0.112 4.165 1.711 861 HG21 VAL 102 3HG2 VAL 102 -0.185 7.836 0.662 862 HG22 VAL 102 1HG2 VAL 102 -1.142 6.354 0.586 863 HG23 VAL 102 2HG2 VAL 102 0.359 6.485 -0.338 864 H THR 103 H THR 103 -2.046 8.048 3.636 865 HA THR 103 HA THR 103 -3.969 5.857 3.913 866 HB THR 103 HB THR 103 -4.164 8.772 4.782 867 HG1 THR 103 HG1 THR 103 -3.294 8.068 6.567 868 HG21 THR 103 3HG2 THR 103 -6.399 7.849 4.245 869 HG22 THR 103 1HG2 THR 103 -6.212 8.087 5.982 870 HG23 THR 103 2HG2 THR 103 -6.086 6.465 5.296 871 H VAL 104 H VAL 104 -4.864 5.390 2.039 872 HA VAL 104 HA VAL 104 -5.375 7.344 -0.060 873 HB VAL 104 HB VAL 104 -5.689 4.298 -0.100 874 HG11 VAL 104 1HG1 VAL 104 -5.593 6.270 -2.420 875 HG12 VAL 104 2HG1 VAL 104 -7.023 5.400 -1.859 876 HG13 VAL 104 3HG1 VAL 104 -5.673 4.511 -2.567 877 HG21 VAL 104 3HG2 VAL 104 -3.343 4.912 0.343 878 HG22 VAL 104 1HG2 VAL 104 -3.336 5.960 -1.079 879 HG23 VAL 104 2HG2 VAL 104 -3.517 4.214 -1.269 880 H GLU 105 H GLU 105 -7.399 8.109 -0.417 881 HA GLU 105 HA GLU 105 -9.770 7.041 0.899 882 HB2 GLU 105 2HB GLU 105 -9.520 9.486 0.635 883 HB3 GLU 105 3HB GLU 105 -9.326 9.307 -1.105 884 HG2 GLU 105 2HG GLU 105 -11.720 8.361 -1.131 885 HG3 GLU 105 3HG GLU 105 -11.855 8.924 0.536 886 H GLY 106 H GLY 106 -10.702 5.225 -0.017 887 HA2 GLY 106 2HA GLY 106 -10.406 4.783 -2.947 888 HA3 GLY 106 3HA GLY 106 -10.597 3.531 -1.730 889 H GLN 107 H GLN 107 -12.181 4.767 -4.190 890 HA GLN 107 HA GLN 107 -14.692 3.669 -3.096 891 HB2 GLN 107 2HB GLN 107 -15.034 6.130 -3.466 892 HB3 GLN 107 3HB GLN 107 -14.535 5.940 -5.144 893 HG2 GLN 107 2HG GLN 107 -16.470 4.402 -5.516 894 HG3 GLN 107 3HG GLN 107 -16.989 4.683 -3.857 895 HE21 GLN 107 1HE2 GLN 107 -17.870 6.739 -3.314 896 HE22 GLN 107 2HE2 GLN 107 -18.441 7.823 -4.528 897 H LEU 108 H LEU 108 -14.695 1.725 -3.985 898 HA LEU 108 HA LEU 108 -13.134 1.137 -6.359 899 HB2 LEU 108 2HB LEU 108 -13.902 -1.311 -5.807 900 HB3 LEU 108 3HB LEU 108 -12.705 -0.534 -4.806 901 HG LEU 108 HG LEU 108 -14.436 -1.984 -3.616 902 HD11 LEU 108 1HD1 LEU 108 -14.620 -0.572 -1.650 903 HD12 LEU 108 2HD1 LEU 108 -14.151 0.840 -2.597 904 HD13 LEU 108 3HD1 LEU 108 -13.015 -0.490 -2.372 905 HD21 LEU 108 3HD2 LEU 108 -16.465 -1.292 -4.783 906 HD22 LEU 108 1HD2 LEU 108 -16.327 0.333 -4.105 907 HD23 LEU 108 2HD2 LEU 108 -16.622 -1.049 -3.044 908 H GLU 109 H GLU 109 -13.959 -0.269 -8.042 909 HA GLU 109 HA GLU 109 -16.529 0.582 -9.088 910 HB2 GLU 109 2HB GLU 109 -15.914 -0.668 -11.100 911 HB3 GLU 109 3HB GLU 109 -14.581 0.360 -10.601 912 HG2 GLU 109 2HG GLU 109 -14.444 -2.430 -9.566 913 HG3 GLU 109 3HG GLU 109 -14.350 -2.296 -11.318 914 H GLY 110 H GLY 110 -17.432 -1.684 -10.414 915 HA2 GLY 110 2HA GLY 110 -18.259 -3.870 -10.188 916 HA3 GLY 110 3HA GLY 110 -17.889 -3.835 -8.468 917 H VAL 111 H VAL 111 -19.207 -2.403 -7.113 918 HA VAL 111 HA VAL 111 -21.999 -2.771 -7.503 919 HB VAL 111 HB VAL 111 -20.554 -0.965 -5.497 920 HG11 VAL 111 1HG1 VAL 111 -22.945 -0.342 -5.691 921 HG12 VAL 111 2HG1 VAL 111 -22.592 -1.059 -4.118 922 HG13 VAL 111 3HG1 VAL 111 -23.410 -2.014 -5.357 923 HG21 VAL 111 3HG2 VAL 111 -21.510 -3.835 -5.196 924 HG22 VAL 111 1HG2 VAL 111 -20.835 -2.843 -3.903 925 HG23 VAL 111 2HG2 VAL 111 -19.833 -3.293 -5.280 926 H ASP 112 H ASP 112 -19.818 -0.059 -7.980 927 HA ASP 112 HA ASP 112 -21.982 1.585 -9.152 928 HB2 ASP 112 2HB ASP 112 -21.340 2.360 -6.850 929 HB3 ASP 112 3HB ASP 112 -19.681 2.566 -7.395 930 H LEU 113 H LEU 113 -21.266 0.560 -11.116 931 HA LEU 113 HA LEU 113 -18.645 1.013 -12.215 932 HB2 LEU 113 2HB LEU 113 -21.243 0.090 -13.508 933 HB3 LEU 113 3HB LEU 113 -19.717 0.204 -14.374 934 HG LEU 113 HG LEU 113 -20.248 -1.639 -12.007 935 HD11 LEU 113 1HD1 LEU 113 -20.166 -3.463 -13.640 936 HD12 LEU 113 2HD1 LEU 113 -20.006 -2.298 -14.958 937 HD13 LEU 113 3HD1 LEU 113 -21.484 -2.347 -13.992 938 HD21 LEU 113 3HD2 LEU 113 -18.066 -2.644 -12.540 939 HD22 LEU 113 1HD2 LEU 113 -17.894 -0.948 -12.093 940 HD23 LEU 113 2HD2 LEU 113 -17.795 -1.427 -13.791 941 H GLU 114 H GLU 114 -17.931 2.718 -13.286 942 HA GLU 114 HA GLU 114 -17.707 4.558 -14.517 943 HB2 GLU 114 2HB GLU 114 -20.440 3.771 -15.576 944 HB3 GLU 114 3HB GLU 114 -19.493 5.098 -16.245 945 HG2 GLU 114 2HG GLU 114 -17.663 3.504 -16.777 946 HG3 GLU 114 3HG GLU 114 -18.649 2.178 -16.162 947 H HIS 115 H HIS 115 -18.731 4.833 -11.809 948 HA HIS 115 HA HIS 115 -19.929 7.464 -11.798 949 HB2 HIS 115 2HB HIS 115 -19.714 5.937 -9.753 950 HB3 HIS 115 3HB HIS 115 -17.992 6.293 -9.740 951 HD1 HIS 115 HD1 HIS 115 -19.213 7.008 -7.239 952 HD2 HIS 115 HD2 HIS 115 -19.483 9.636 -10.442 953 HE1 HIS 115 HE1 HIS 115 -19.654 9.270 -6.233 954 HE2 HIS 115 HE2 HIS 115 -20.021 10.783 -8.202 955 H HIS 116 H HIS 116 -16.600 6.183 -11.527 956 HA HIS 116 HA HIS 116 -15.380 8.461 -12.830 957 HB2 HIS 116 2HB HIS 116 -14.141 6.893 -11.262 958 HB3 HIS 116 3HB HIS 116 -14.287 5.625 -12.468 959 HD1 HIS 116 HD1 HIS 116 -12.558 5.592 -14.317 960 HD2 HIS 116 HD2 HIS 116 -12.411 9.077 -12.057 961 HE1 HIS 116 HE1 HIS 116 -10.464 6.772 -15.029 962 HE2 HIS 116 HE2 HIS 116 -10.354 8.815 -13.575 963 H HIS 117 H HIS 117 -16.535 8.787 -14.705 964 HA HIS 117 HA HIS 117 -17.775 6.605 -16.135 965 HB2 HIS 117 2HB HIS 117 -18.888 8.806 -15.512 966 HB3 HIS 117 3HB HIS 117 -17.913 9.587 -16.748 967 HD1 HIS 117 HD1 HIS 117 -19.401 10.093 -18.659 968 HD2 HIS 117 HD2 HIS 117 -20.323 6.400 -16.984 969 HE1 HIS 117 HE1 HIS 117 -21.257 9.159 -20.062 970 HE2 HIS 117 HE2 HIS 117 -21.843 6.962 -18.985 971 H HIS 118 H HIS 118 -14.734 7.442 -16.395 972 HA HIS 118 HA HIS 118 -14.573 6.511 -19.175 973 HB2 HIS 118 2HB HIS 118 -13.099 8.944 -18.068 974 HB3 HIS 118 3HB HIS 118 -12.532 8.070 -19.485 975 HD1 HIS 118 HD1 HIS 118 -14.681 10.812 -18.533 976 HD2 HIS 118 HD2 HIS 118 -14.574 8.058 -21.642 977 HE1 HIS 118 HE1 HIS 118 -16.135 11.771 -20.338 978 HE2 HIS 118 HE2 HIS 118 -16.174 10.015 -22.139 979 H HIS 119 H HIS 119 -12.078 6.037 -19.575 980 HA HIS 119 HA HIS 119 -11.351 4.001 -17.623 981 HB2 HIS 119 2HB HIS 119 -10.021 4.760 -20.266 982 HB3 HIS 119 3HB HIS 119 -9.676 3.319 -19.318 983 HD1 HIS 119 HD1 HIS 119 -10.729 1.304 -20.291 984 HD2 HIS 119 HD2 HIS 119 -12.975 4.712 -21.074 985 HE1 HIS 119 HE1 HIS 119 -12.650 0.544 -21.709 986 HE2 HIS 119 HE2 HIS 119 -14.065 2.589 -22.036 987 H HIS 120 H HIS 120 -9.038 3.783 -16.978 988 HA HIS 120 HA HIS 120 -7.900 6.292 -16.043 989 HB2 HIS 120 2HB HIS 120 -7.892 4.356 -14.510 990 HB3 HIS 120 3HB HIS 120 -6.962 3.405 -15.666 991 HD1 HIS 120 HD1 HIS 120 -6.614 6.341 -13.305 992 HD2 HIS 120 HD2 HIS 120 -4.217 3.852 -15.615 993 HE1 HIS 120 HE1 HIS 120 -4.248 6.858 -12.641 994 HE2 HIS 120 HE2 HIS 120 -2.837 5.262 -13.964 Start of MODEL 18 1 H1 MET 1 1H MET 1 25.104 -7.909 -3.012 2 H2 MET 1 2H MET 1 24.811 -6.817 -1.760 3 H3 MET 1 3H MET 1 24.329 -6.440 -3.334 4 HA MET 1 HA MET 1 22.758 -8.215 -3.348 5 HB2 MET 1 2HB MET 1 24.041 -9.707 -1.786 6 HB3 MET 1 3HB MET 1 23.581 -8.672 -0.442 7 HG2 MET 1 2HG MET 1 21.223 -9.257 -0.768 8 HG3 MET 1 3HG MET 1 21.637 -10.232 -2.178 9 HE1 MET 1 3HE MET 1 23.025 -12.548 -2.019 10 HE2 MET 1 1HE MET 1 23.634 -13.209 -0.500 11 HE3 MET 1 2HE MET 1 24.334 -11.733 -1.161 12 H SER 2 H SER 2 22.034 -5.997 -3.716 13 HA SER 2 HA SER 2 20.737 -4.580 -1.540 14 HB2 SER 2 2HB SER 2 21.709 -3.369 -3.522 15 HB3 SER 2 3HB SER 2 20.521 -4.150 -4.564 16 HG SER 2 HG SER 2 19.980 -2.407 -2.386 17 H GLY 3 H GLY 3 19.049 -5.608 -0.688 18 HA2 GLY 3 2HA GLY 3 16.654 -6.244 -2.032 19 HA3 GLY 3 3HA GLY 3 17.590 -7.724 -1.804 20 H LYS 4 H LYS 4 15.841 -5.162 -0.216 21 HA LYS 4 HA LYS 4 16.276 -6.304 2.466 22 HB2 LYS 4 2HB LYS 4 16.532 -3.825 2.104 23 HB3 LYS 4 3HB LYS 4 14.848 -3.739 1.625 24 HG2 LYS 4 2HG LYS 4 14.715 -3.013 3.816 25 HG3 LYS 4 3HG LYS 4 14.382 -4.727 4.031 26 HD2 LYS 4 2HD LYS 4 17.152 -3.510 4.404 27 HD3 LYS 4 3HD LYS 4 15.978 -3.632 5.709 28 HE2 LYS 4 2HE LYS 4 15.969 -6.115 5.405 29 HE3 LYS 4 3HE LYS 4 17.246 -5.940 4.198 30 HZ1 LYS 4 3HZ LYS 4 18.144 -6.491 6.379 31 HZ2 LYS 4 1HZ LYS 4 17.431 -5.114 7.051 32 HZ3 LYS 4 2HZ LYS 4 18.662 -4.954 5.907 33 H LYS 5 H LYS 5 14.615 -7.317 3.596 34 HA LYS 5 HA LYS 5 11.998 -7.644 2.375 35 HB2 LYS 5 2HB LYS 5 12.939 -9.507 3.707 36 HB3 LYS 5 3HB LYS 5 13.012 -8.470 5.133 37 HG2 LYS 5 2HG LYS 5 10.502 -8.246 5.031 38 HG3 LYS 5 3HG LYS 5 10.495 -9.387 3.685 39 HD2 LYS 5 2HD LYS 5 9.916 -10.497 5.780 40 HD3 LYS 5 3HD LYS 5 11.433 -11.129 5.138 41 HE2 LYS 5 2HE LYS 5 11.519 -10.816 7.594 42 HE3 LYS 5 3HE LYS 5 12.698 -9.787 6.780 43 HZ1 LYS 5 3HZ LYS 5 11.575 -8.545 8.473 44 HZ2 LYS 5 1HZ LYS 5 10.058 -8.961 7.854 45 HZ3 LYS 5 2HZ LYS 5 11.082 -7.948 6.971 46 H VAL 6 H VAL 6 10.662 -5.957 2.436 47 HA VAL 6 HA VAL 6 10.455 -4.256 4.853 48 HB VAL 6 HB VAL 6 9.564 -2.541 3.570 49 HG11 VAL 6 1HG1 VAL 6 10.715 -2.322 1.404 50 HG12 VAL 6 2HG1 VAL 6 11.104 -4.047 1.438 51 HG13 VAL 6 3HG1 VAL 6 11.786 -2.969 2.658 52 HG21 VAL 6 3HG2 VAL 6 7.555 -3.670 2.795 53 HG22 VAL 6 1HG2 VAL 6 8.459 -4.524 1.541 54 HG23 VAL 6 2HG2 VAL 6 8.274 -2.766 1.455 55 H GLU 7 H GLU 7 8.361 -4.129 5.861 56 HA GLU 7 HA GLU 7 6.428 -6.236 5.059 57 HB2 GLU 7 2HB GLU 7 6.964 -5.217 7.876 58 HB3 GLU 7 3HB GLU 7 5.824 -6.480 7.423 59 HG2 GLU 7 2HG GLU 7 7.593 -7.963 6.755 60 HG3 GLU 7 3HG GLU 7 8.800 -6.686 6.878 61 H VAL 8 H VAL 8 4.700 -5.457 4.253 62 HA VAL 8 HA VAL 8 3.898 -2.647 4.551 63 HB VAL 8 HB VAL 8 3.239 -4.785 2.466 64 HG11 VAL 8 1HG1 VAL 8 2.025 -3.059 1.183 65 HG12 VAL 8 2HG1 VAL 8 2.242 -1.918 2.511 66 HG13 VAL 8 3HG1 VAL 8 1.250 -3.357 2.742 67 HG21 VAL 8 3HG2 VAL 8 4.837 -2.204 2.238 68 HG22 VAL 8 1HG2 VAL 8 4.507 -3.330 0.916 69 HG23 VAL 8 2HG2 VAL 8 5.508 -3.837 2.279 70 H GLN 9 H GLN 9 2.349 -2.265 5.994 71 HA GLN 9 HA GLN 9 0.481 -4.351 6.903 72 HB2 GLN 9 2HB GLN 9 1.123 -1.615 8.119 73 HB3 GLN 9 3HB GLN 9 0.074 -2.837 8.836 74 HG2 GLN 9 2HG GLN 9 2.007 -4.343 9.105 75 HG3 GLN 9 3HG GLN 9 3.059 -3.139 8.357 76 HE21 GLN 9 1HE2 GLN 9 3.195 -4.329 11.047 77 HE22 GLN 9 2HE2 GLN 9 3.156 -2.996 12.149 78 H VAL 10 H VAL 10 -1.277 -4.320 5.546 79 HA VAL 10 HA VAL 10 -2.318 -1.755 4.514 80 HB VAL 10 HB VAL 10 -3.036 -4.622 3.718 81 HG11 VAL 10 1HG1 VAL 10 -4.930 -3.090 3.311 82 HG12 VAL 10 2HG1 VAL 10 -4.216 -3.618 1.787 83 HG13 VAL 10 3HG1 VAL 10 -3.872 -2.001 2.408 84 HG21 VAL 10 3HG2 VAL 10 -1.749 -4.139 1.650 85 HG22 VAL 10 1HG2 VAL 10 -0.733 -4.052 3.091 86 HG23 VAL 10 2HG2 VAL 10 -1.287 -2.569 2.308 87 H LYS 11 H LYS 11 -3.749 -0.807 5.807 88 HA LYS 11 HA LYS 11 -5.681 -2.403 7.403 89 HB2 LYS 11 2HB LYS 11 -4.032 -1.100 8.733 90 HB3 LYS 11 3HB LYS 11 -4.496 0.374 7.892 91 HG2 LYS 11 2HG LYS 11 -6.775 0.192 8.886 92 HG3 LYS 11 3HG LYS 11 -6.259 -1.255 9.758 93 HD2 LYS 11 2HD LYS 11 -5.099 1.544 10.095 94 HD3 LYS 11 3HD LYS 11 -6.202 0.741 11.216 95 HE2 LYS 11 2HE LYS 11 -4.498 -0.979 11.680 96 HE3 LYS 11 3HE LYS 11 -3.396 -0.221 10.526 97 HZ1 LYS 11 3HZ LYS 11 -4.418 1.027 13.021 98 HZ2 LYS 11 1HZ LYS 11 -3.369 1.756 11.913 99 HZ3 LYS 11 2HZ LYS 11 -2.867 0.399 12.789 100 H ILE 12 H ILE 12 -7.505 -2.433 6.127 101 HA ILE 12 HA ILE 12 -8.460 0.113 4.924 102 HB ILE 12 HB ILE 12 -7.844 -1.338 3.105 103 HG12 ILE 12 2HG1 ILE 12 -10.884 -1.440 3.404 104 HG13 ILE 12 3HG1 ILE 12 -9.965 -0.060 2.820 105 HG21 ILE 12 1HG2 ILE 12 -8.703 -3.617 2.756 106 HG22 ILE 12 2HG2 ILE 12 -9.539 -3.547 4.309 107 HG23 ILE 12 3HG2 ILE 12 -7.776 -3.500 4.256 108 HD11 ILE 12 3HD1 ILE 12 -11.005 -1.224 0.989 109 HD12 ILE 12 1HD1 ILE 12 -10.226 -2.740 1.446 110 HD13 ILE 12 2HD1 ILE 12 -9.255 -1.381 0.868 111 H THR 13 H THR 13 -10.209 0.893 5.916 112 HA THR 13 HA THR 13 -12.004 -0.860 7.432 113 HB THR 13 HB THR 13 -12.004 2.184 7.196 114 HG1 THR 13 HG1 THR 13 -10.162 1.396 8.290 115 HG21 THR 13 3HG2 THR 13 -13.495 0.378 9.149 116 HG22 THR 13 1HG2 THR 13 -14.239 1.291 7.830 117 HG23 THR 13 2HG2 THR 13 -13.484 2.142 9.177 118 H CYS 14 H CYS 14 -13.519 -1.820 6.258 119 HA CYS 14 HA CYS 14 -14.911 -0.450 4.020 120 HB2 CYS 14 2HB CYS 14 -13.617 -2.501 3.421 121 HB3 CYS 14 3HB CYS 14 -14.556 -3.426 4.576 122 H ASN 15 H ASN 15 -16.961 0.046 4.410 123 HA ASN 15 HA ASN 15 -19.019 0.276 5.271 124 HB2 ASN 15 2HB ASN 15 -19.361 -2.140 4.921 125 HB3 ASN 15 3HB ASN 15 -18.571 -2.499 6.455 126 HD21 ASN 15 1HD2 ASN 15 -20.366 -3.569 7.277 127 HD22 ASN 15 2HD2 ASN 15 -21.819 -2.756 7.740 128 H GLY 16 H GLY 16 -17.683 -1.556 8.004 129 HA2 GLY 16 2HA GLY 16 -16.956 0.817 9.523 130 HA3 GLY 16 3HA GLY 16 -18.364 -0.052 10.137 131 H LYS 17 H LYS 17 -16.030 -1.951 8.516 132 HA LYS 17 HA LYS 17 -14.933 -3.006 11.064 133 HB2 LYS 17 2HB LYS 17 -15.529 -4.464 8.442 134 HB3 LYS 17 3HB LYS 17 -14.744 -5.199 9.829 135 HG2 LYS 17 2HG LYS 17 -17.566 -4.082 9.958 136 HG3 LYS 17 3HG LYS 17 -17.216 -5.727 9.444 137 HD2 LYS 17 2HD LYS 17 -17.745 -6.006 11.709 138 HD3 LYS 17 3HD LYS 17 -15.984 -5.972 11.734 139 HE2 LYS 17 2HE LYS 17 -16.092 -3.565 12.422 140 HE3 LYS 17 3HE LYS 17 -17.852 -3.686 12.455 141 HZ1 LYS 17 3HZ LYS 17 -17.637 -5.407 14.163 142 HZ2 LYS 17 1HZ LYS 17 -16.960 -3.938 14.656 143 HZ3 LYS 17 2HZ LYS 17 -15.958 -5.211 14.167 144 H THR 18 H THR 18 -12.781 -2.898 11.240 145 HA THR 18 HA THR 18 -11.186 -1.808 9.017 146 HB THR 18 HB THR 18 -10.489 -2.052 11.986 147 HG1 THR 18 HG1 THR 18 -11.406 0.190 10.477 148 HG21 THR 18 3HG2 THR 18 -8.479 -1.864 10.536 149 HG22 THR 18 1HG2 THR 18 -8.727 -0.394 11.492 150 HG23 THR 18 2HG2 THR 18 -9.167 -0.423 9.784 151 H TYR 19 H TYR 19 -9.845 -3.105 7.920 152 HA TYR 19 HA TYR 19 -9.206 -5.821 8.929 153 HB2 TYR 19 2HB TYR 19 -9.544 -4.862 6.046 154 HB3 TYR 19 3HB TYR 19 -9.184 -6.513 6.541 155 HD1 TYR 19 HD1 TYR 19 -10.960 -7.575 8.234 156 HD2 TYR 19 HD2 TYR 19 -11.811 -4.330 5.577 157 HE1 TYR 19 HE1 TYR 19 -13.359 -8.092 8.359 158 HE2 TYR 19 HE2 TYR 19 -14.213 -4.847 5.708 159 HH TYR 19 HH TYR 19 -15.661 -6.770 6.230 160 H GLU 20 H GLU 20 -7.173 -5.579 9.752 161 HA GLU 20 HA GLU 20 -5.067 -4.372 8.047 162 HB2 GLU 20 2HB GLU 20 -3.883 -3.693 10.066 163 HB3 GLU 20 3HB GLU 20 -5.494 -3.004 10.049 164 HG2 GLU 20 2HG GLU 20 -6.250 -4.713 11.679 165 HG3 GLU 20 3HG GLU 20 -4.628 -5.403 11.698 166 H ARG 21 H ARG 21 -3.049 -5.374 7.991 167 HA ARG 21 HA ARG 21 -2.395 -7.774 9.402 168 HB2 ARG 21 2HB ARG 21 -4.020 -8.779 7.859 169 HB3 ARG 21 3HB ARG 21 -3.236 -8.031 6.473 170 HG2 ARG 21 2HG ARG 21 -1.341 -9.479 6.641 171 HG3 ARG 21 3HG ARG 21 -1.828 -10.051 8.235 172 HD2 ARG 21 2HD ARG 21 -2.253 -11.718 6.455 173 HD3 ARG 21 3HD ARG 21 -3.734 -11.228 7.282 174 HE ARG 21 HE ARG 21 -3.554 -9.574 5.097 175 HH11 ARG 21 1HH1 ARG 21 -3.747 -13.065 5.534 176 HH12 ARG 21 2HH1 ARG 21 -4.536 -13.317 4.008 177 HH21 ARG 21 1HH2 ARG 21 -4.550 -9.931 3.104 178 HH22 ARG 21 2HH2 ARG 21 -4.990 -11.545 2.633 179 H THR 22 H THR 22 -0.208 -8.079 9.368 180 HA THR 22 HA THR 22 1.491 -6.273 7.835 181 HB THR 22 HB THR 22 2.275 -8.418 9.879 182 HG1 THR 22 HG1 THR 22 1.956 -6.955 11.400 183 HG21 THR 22 3HG2 THR 22 4.170 -7.755 8.424 184 HG22 THR 22 1HG2 THR 22 4.400 -7.167 10.077 185 HG23 THR 22 2HG2 THR 22 3.877 -6.057 8.811 186 H TYR 23 H TYR 23 1.840 -6.881 5.773 187 HA TYR 23 HA TYR 23 2.201 -9.705 4.991 188 HB2 TYR 23 2HB TYR 23 2.119 -7.185 3.243 189 HB3 TYR 23 3HB TYR 23 2.150 -8.840 2.659 190 HD1 TYR 23 HD1 TYR 23 0.049 -6.475 4.671 191 HD2 TYR 23 HD2 TYR 23 0.082 -9.917 2.140 192 HE1 TYR 23 HE1 TYR 23 -2.392 -6.417 4.577 193 HE2 TYR 23 HE2 TYR 23 -2.380 -9.859 2.056 194 HH TYR 23 HH TYR 23 -4.191 -7.190 3.110 195 H GLN 24 H GLN 24 4.244 -10.467 4.422 196 HA GLN 24 HA GLN 24 6.549 -8.643 4.785 197 HB2 GLN 24 2HB GLN 24 6.420 -11.686 4.566 198 HB3 GLN 24 3HB GLN 24 7.921 -10.778 4.650 199 HG2 GLN 24 2HG GLN 24 7.458 -11.720 6.818 200 HG3 GLN 24 3HG GLN 24 7.298 -9.971 6.910 201 HE21 GLN 24 1HE2 GLN 24 5.308 -9.099 7.443 202 HE22 GLN 24 2HE2 GLN 24 3.947 -10.049 7.920 203 H LEU 25 H LEU 25 7.000 -7.566 2.926 204 HA LEU 25 HA LEU 25 7.014 -9.030 0.346 205 HB2 LEU 25 2HB LEU 25 6.692 -6.038 0.856 206 HB3 LEU 25 3HB LEU 25 6.867 -6.762 -0.738 207 HG LEU 25 HG LEU 25 4.542 -7.124 1.184 208 HD11 LEU 25 1HD1 LEU 25 4.616 -5.845 -1.564 209 HD12 LEU 25 2HD1 LEU 25 4.510 -4.996 -0.021 210 HD13 LEU 25 3HD1 LEU 25 3.192 -6.043 -0.535 211 HD21 LEU 25 3HD2 LEU 25 4.954 -9.261 0.075 212 HD22 LEU 25 1HD2 LEU 25 4.959 -8.474 -1.508 213 HD23 LEU 25 2HD2 LEU 25 3.479 -8.529 -0.544 214 H TYR 26 H TYR 26 9.014 -9.858 0.458 215 HA TYR 26 HA TYR 26 11.383 -8.158 0.719 216 HB2 TYR 26 2HB TYR 26 11.606 -10.261 1.858 217 HB3 TYR 26 3HB TYR 26 10.931 -11.163 0.507 218 HD1 TYR 26 HD1 TYR 26 13.920 -9.056 1.407 219 HD2 TYR 26 HD2 TYR 26 12.401 -12.236 -1.002 220 HE1 TYR 26 HE1 TYR 26 16.177 -9.492 0.549 221 HE2 TYR 26 HE2 TYR 26 14.653 -12.670 -1.859 222 HH TYR 26 HH TYR 26 16.758 -11.564 -2.133 223 H ALA 27 H ALA 27 12.559 -7.472 -1.037 224 HA ALA 27 HA ALA 27 12.261 -8.743 -3.650 225 HB1 ALA 27 3HB ALA 27 11.678 -6.628 -4.802 226 HB2 ALA 27 1HB ALA 27 11.509 -5.827 -3.238 227 HB3 ALA 27 2HB ALA 27 10.416 -7.139 -3.683 228 H VAL 28 H VAL 28 13.963 -8.461 -4.953 229 HA VAL 28 HA VAL 28 16.463 -7.515 -4.041 230 HB VAL 28 HB VAL 28 15.527 -8.113 -6.895 231 HG11 VAL 28 1HG1 VAL 28 18.375 -7.909 -5.845 232 HG12 VAL 28 2HG1 VAL 28 17.589 -6.777 -6.946 233 HG13 VAL 28 3HG1 VAL 28 17.914 -8.430 -7.471 234 HG21 VAL 28 3HG2 VAL 28 15.250 -10.063 -5.418 235 HG22 VAL 28 1HG2 VAL 28 16.938 -9.939 -4.909 236 HG23 VAL 28 2HG2 VAL 28 16.547 -10.350 -6.582 237 H ARG 29 H ARG 29 14.029 -6.152 -6.256 238 HA ARG 29 HA ARG 29 15.293 -3.470 -6.043 239 HB2 ARG 29 2HB ARG 29 13.842 -4.599 -8.489 240 HB3 ARG 29 3HB ARG 29 14.561 -2.997 -8.355 241 HG2 ARG 29 2HG ARG 29 16.802 -3.998 -8.193 242 HG3 ARG 29 3HG ARG 29 16.101 -5.616 -8.268 243 HD2 ARG 29 2HD ARG 29 15.268 -5.144 -10.553 244 HD3 ARG 29 3HD ARG 29 15.970 -3.523 -10.470 245 HE ARG 29 HE ARG 29 18.171 -4.578 -10.302 246 HH11 ARG 29 1HH1 ARG 29 15.589 -6.581 -11.655 247 HH12 ARG 29 2HH1 ARG 29 16.689 -7.619 -12.501 248 HH21 ARG 29 1HH2 ARG 29 19.578 -5.961 -11.380 249 HH22 ARG 29 2HH2 ARG 29 18.962 -7.265 -12.344 250 H ASP 30 H ASP 30 13.854 -1.691 -6.048 251 HA ASP 30 HA ASP 30 11.276 -1.965 -4.885 252 HB2 ASP 30 2HB ASP 30 11.048 0.497 -5.410 253 HB3 ASP 30 3HB ASP 30 12.519 0.081 -4.536 254 H GLU 31 H GLU 31 12.414 -1.765 -8.199 255 HA GLU 31 HA GLU 31 10.115 -1.600 -9.718 256 HB2 GLU 31 2HB GLU 31 12.504 -3.459 -10.126 257 HB3 GLU 31 3HB GLU 31 11.330 -3.058 -11.377 258 HG2 GLU 31 2HG GLU 31 13.152 -1.051 -10.005 259 HG3 GLU 31 3HG GLU 31 13.494 -1.817 -11.556 260 H GLU 32 H GLU 32 11.466 -4.431 -8.047 261 HA GLU 32 HA GLU 32 9.545 -6.332 -9.012 262 HB2 GLU 32 2HB GLU 32 11.288 -6.672 -6.544 263 HB3 GLU 32 3HB GLU 32 10.608 -7.935 -7.564 264 HG2 GLU 32 2HG GLU 32 12.897 -6.060 -8.186 265 HG3 GLU 32 3HG GLU 32 12.971 -7.800 -7.959 266 H LEU 33 H LEU 33 9.642 -4.095 -6.364 267 HA LEU 33 HA LEU 33 7.750 -5.430 -4.656 268 HB2 LEU 33 2HB LEU 33 9.637 -3.481 -4.211 269 HB3 LEU 33 3HB LEU 33 8.209 -2.479 -4.314 270 HG LEU 33 HG LEU 33 8.675 -2.953 -1.978 271 HD11 LEU 33 1HD1 LEU 33 6.605 -3.955 -1.178 272 HD12 LEU 33 2HD1 LEU 33 6.264 -4.583 -2.793 273 HD13 LEU 33 3HD1 LEU 33 6.307 -2.841 -2.512 274 HD21 LEU 33 3HD2 LEU 33 8.546 -5.913 -2.618 275 HD22 LEU 33 1HD2 LEU 33 8.738 -5.200 -1.011 276 HD23 LEU 33 2HD2 LEU 33 10.000 -4.994 -2.223 277 H LYS 34 H LYS 34 7.543 -3.218 -7.367 278 HA LYS 34 HA LYS 34 5.093 -1.926 -6.862 279 HB2 LYS 34 2HB LYS 34 6.349 -2.604 -9.556 280 HB3 LYS 34 3HB LYS 34 5.050 -1.436 -9.307 281 HG2 LYS 34 2HG LYS 34 6.561 -0.081 -7.879 282 HG3 LYS 34 3HG LYS 34 7.858 -1.240 -8.170 283 HD2 LYS 34 2HD LYS 34 8.162 0.699 -9.611 284 HD3 LYS 34 3HD LYS 34 7.767 -0.707 -10.602 285 HE2 LYS 34 2HE LYS 34 5.448 0.084 -10.828 286 HE3 LYS 34 3HE LYS 34 5.792 1.450 -9.761 287 HZ1 LYS 34 3HZ LYS 34 5.868 2.125 -12.062 288 HZ2 LYS 34 1HZ LYS 34 7.037 0.958 -12.415 289 HZ3 LYS 34 2HZ LYS 34 7.406 2.248 -11.384 290 H GLU 35 H GLU 35 5.677 -4.892 -8.817 291 HA GLU 35 HA GLU 35 3.012 -5.518 -9.425 292 HB2 GLU 35 2HB GLU 35 3.838 -7.821 -9.887 293 HB3 GLU 35 3HB GLU 35 4.883 -6.589 -10.591 294 HG2 GLU 35 2HG GLU 35 6.474 -6.860 -8.717 295 HG3 GLU 35 3HG GLU 35 5.436 -8.098 -8.014 296 H LYS 36 H LYS 36 4.938 -6.209 -6.560 297 HA LYS 36 HA LYS 36 3.244 -8.138 -5.336 298 HB2 LYS 36 2HB LYS 36 5.280 -6.250 -4.065 299 HB3 LYS 36 3HB LYS 36 4.559 -7.656 -3.272 300 HG2 LYS 36 2HG LYS 36 5.619 -9.152 -4.877 301 HG3 LYS 36 3HG LYS 36 6.269 -7.772 -5.775 302 HD2 LYS 36 2HD LYS 36 7.630 -7.136 -3.798 303 HD3 LYS 36 3HD LYS 36 6.978 -8.517 -2.904 304 HE2 LYS 36 2HE LYS 36 8.649 -8.663 -5.438 305 HE3 LYS 36 3HE LYS 36 9.212 -9.017 -3.802 306 HZ1 LYS 36 3HZ LYS 36 7.170 -10.511 -5.348 307 HZ2 LYS 36 1HZ LYS 36 7.494 -10.790 -3.715 308 HZ3 LYS 36 2HZ LYS 36 8.695 -11.062 -4.872 309 H LEU 37 H LEU 37 3.594 -4.624 -4.975 310 HA LEU 37 HA LEU 37 1.661 -4.143 -3.023 311 HB2 LEU 37 2HB LEU 37 2.637 -2.382 -5.303 312 HB3 LEU 37 3HB LEU 37 1.581 -1.798 -4.022 313 HG LEU 37 HG LEU 37 4.354 -2.952 -3.535 314 HD11 LEU 37 1HD1 LEU 37 3.551 -0.037 -3.675 315 HD12 LEU 37 2HD1 LEU 37 4.563 -0.907 -4.832 316 HD13 LEU 37 3HD1 LEU 37 5.129 -0.664 -3.181 317 HD21 LEU 37 3HD2 LEU 37 2.494 -1.436 -1.670 318 HD22 LEU 37 1HD2 LEU 37 4.136 -1.967 -1.292 319 HD23 LEU 37 2HD2 LEU 37 2.877 -3.160 -1.593 320 H LYS 38 H LYS 38 1.343 -4.160 -6.612 321 HA LYS 38 HA LYS 38 -1.391 -3.706 -6.870 322 HB2 LYS 38 2HB LYS 38 0.420 -5.502 -8.538 323 HB3 LYS 38 3HB LYS 38 -1.239 -5.117 -8.995 324 HG2 LYS 38 2HG LYS 38 -0.670 -2.740 -9.153 325 HG3 LYS 38 3HG LYS 38 0.988 -3.086 -8.643 326 HD2 LYS 38 2HD LYS 38 1.334 -4.454 -10.674 327 HD3 LYS 38 3HD LYS 38 -0.335 -4.148 -11.176 328 HE2 LYS 38 2HE LYS 38 1.263 -2.705 -12.381 329 HE3 LYS 38 3HE LYS 38 0.161 -1.751 -11.394 330 HZ1 LYS 38 3HZ LYS 38 2.912 -2.514 -10.571 331 HZ2 LYS 38 1HZ LYS 38 1.867 -1.466 -9.755 332 HZ3 LYS 38 2HZ LYS 38 2.503 -1.031 -11.267 333 H LYS 39 H LYS 39 0.298 -6.836 -6.358 334 HA LYS 39 HA LYS 39 -1.960 -8.516 -6.485 335 HB2 LYS 39 2HB LYS 39 0.717 -8.929 -5.091 336 HB3 LYS 39 3HB LYS 39 -0.508 -10.192 -5.214 337 HG2 LYS 39 2HG LYS 39 0.868 -8.830 -7.547 338 HG3 LYS 39 3HG LYS 39 1.275 -10.422 -6.913 339 HD2 LYS 39 2HD LYS 39 -1.494 -9.783 -8.011 340 HD3 LYS 39 3HD LYS 39 -0.168 -10.298 -9.050 341 HE2 LYS 39 2HE LYS 39 -1.518 -12.222 -8.535 342 HE3 LYS 39 3HE LYS 39 0.023 -12.394 -7.699 343 HZ1 LYS 39 3HZ LYS 39 -1.032 -11.735 -5.652 344 HZ2 LYS 39 1HZ LYS 39 -1.888 -13.025 -6.333 345 HZ3 LYS 39 2HZ LYS 39 -2.498 -11.450 -6.442 346 H VAL 40 H VAL 40 -0.213 -7.391 -3.571 347 HA VAL 40 HA VAL 40 -1.755 -8.415 -1.536 348 HB VAL 40 HB VAL 40 -0.197 -5.789 -1.646 349 HG11 VAL 40 1HG1 VAL 40 -1.807 -5.584 0.188 350 HG12 VAL 40 2HG1 VAL 40 -0.177 -5.787 0.829 351 HG13 VAL 40 3HG1 VAL 40 -1.302 -7.146 0.834 352 HG21 VAL 40 3HG2 VAL 40 1.160 -7.832 -1.971 353 HG22 VAL 40 1HG2 VAL 40 0.551 -8.488 -0.452 354 HG23 VAL 40 2HG2 VAL 40 1.563 -7.039 -0.446 355 H LEU 41 H LEU 41 -2.204 -5.316 -3.213 356 HA LEU 41 HA LEU 41 -4.485 -4.421 -1.799 357 HB2 LEU 41 2HB LEU 41 -3.365 -3.726 -4.536 358 HB3 LEU 41 3HB LEU 41 -4.765 -2.906 -3.860 359 HG LEU 41 HG LEU 41 -2.071 -2.971 -2.442 360 HD11 LEU 41 1HD1 LEU 41 -3.074 -0.782 -4.276 361 HD12 LEU 41 2HD1 LEU 41 -1.756 -1.905 -4.622 362 HD13 LEU 41 3HD1 LEU 41 -1.601 -0.748 -3.302 363 HD21 LEU 41 3HD2 LEU 41 -4.488 -1.169 -2.079 364 HD22 LEU 41 1HD2 LEU 41 -2.960 -1.044 -1.205 365 HD23 LEU 41 2HD2 LEU 41 -3.973 -2.469 -0.995 366 H ASN 42 H ASN 42 -4.192 -6.085 -4.983 367 HA ASN 42 HA ASN 42 -6.979 -6.184 -5.499 368 HB2 ASN 42 2HB ASN 42 -4.691 -7.768 -6.725 369 HB3 ASN 42 3HB ASN 42 -6.340 -7.805 -7.340 370 HD21 ASN 42 1HD2 ASN 42 -6.755 -4.876 -6.863 371 HD22 ASN 42 2HD2 ASN 42 -5.830 -4.089 -8.088 372 H GLU 43 H GLU 43 -4.943 -8.339 -3.624 373 HA GLU 43 HA GLU 43 -6.780 -10.559 -3.600 374 HB2 GLU 43 2HB GLU 43 -4.685 -9.922 -1.465 375 HB3 GLU 43 3HB GLU 43 -5.481 -11.466 -1.737 376 HG2 GLU 43 2HG GLU 43 -3.312 -10.152 -3.376 377 HG3 GLU 43 3HG GLU 43 -3.268 -11.698 -2.547 378 H ARG 44 H ARG 44 -5.959 -7.908 -1.372 379 HA ARG 44 HA ARG 44 -7.840 -8.710 0.627 380 HB2 ARG 44 2HB ARG 44 -5.566 -7.503 0.978 381 HB3 ARG 44 3HB ARG 44 -6.402 -6.023 0.522 382 HG2 ARG 44 2HG ARG 44 -6.298 -6.212 2.955 383 HG3 ARG 44 3HG ARG 44 -7.976 -6.335 2.418 384 HD2 ARG 44 2HD ARG 44 -7.695 -8.881 2.535 385 HD3 ARG 44 3HD ARG 44 -6.152 -8.584 3.340 386 HE ARG 44 HE ARG 44 -8.231 -7.185 4.662 387 HH11 ARG 44 1HH1 ARG 44 -7.036 -10.474 4.222 388 HH12 ARG 44 2HH1 ARG 44 -7.663 -11.044 5.733 389 HH21 ARG 44 1HH2 ARG 44 -9.114 -7.983 6.632 390 HH22 ARG 44 2HH2 ARG 44 -8.844 -9.625 7.094 391 H MET 45 H MET 45 -7.968 -6.527 -2.107 392 HA MET 45 HA MET 45 -10.385 -5.171 -1.157 393 HB2 MET 45 2HB MET 45 -8.675 -4.690 -3.613 394 HB3 MET 45 3HB MET 45 -10.206 -3.871 -3.346 395 HG2 MET 45 2HG MET 45 -9.194 -3.062 -1.120 396 HG3 MET 45 3HG MET 45 -7.645 -3.593 -1.782 397 HE1 MET 45 3HE MET 45 -10.716 -2.058 -3.800 398 HE2 MET 45 1HE MET 45 -10.295 -0.348 -3.752 399 HE3 MET 45 2HE MET 45 -10.737 -1.185 -2.264 400 H ASP 46 H ASP 46 -9.714 -7.974 -2.892 401 HA ASP 46 HA ASP 46 -11.729 -7.988 -4.838 402 HB2 ASP 46 2HB ASP 46 -9.989 -9.688 -4.882 403 HB3 ASP 46 3HB ASP 46 -10.520 -10.345 -3.339 404 HA PRO 47 HA PRO 47 -14.871 -9.785 -1.486 405 HB2 PRO 47 2HB PRO 47 -14.279 -9.236 1.171 406 HB3 PRO 47 3HB PRO 47 -13.855 -10.765 0.371 407 HG2 PRO 47 2HG PRO 47 -12.125 -8.342 0.825 408 HG3 PRO 47 3HG PRO 47 -11.745 -10.060 1.098 409 HD2 PRO 47 2HD PRO 47 -10.880 -8.810 -1.103 410 HD3 PRO 47 3HD PRO 47 -11.432 -10.495 -1.180 411 H ILE 48 H ILE 48 -13.061 -6.782 -1.139 412 HA ILE 48 HA ILE 48 -14.949 -5.300 0.425 413 HB ILE 48 HB ILE 48 -12.649 -4.305 -1.314 414 HG12 ILE 48 2HG1 ILE 48 -11.827 -5.845 0.383 415 HG13 ILE 48 3HG1 ILE 48 -11.354 -4.214 0.830 416 HG21 ILE 48 1HG2 ILE 48 -14.100 -2.801 0.891 417 HG22 ILE 48 2HG2 ILE 48 -14.187 -2.452 -0.835 418 HG23 ILE 48 3HG2 ILE 48 -12.667 -2.237 0.032 419 HD11 ILE 48 3HD1 ILE 48 -12.031 -5.475 2.757 420 HD12 ILE 48 1HD1 ILE 48 -13.600 -5.821 2.037 421 HD13 ILE 48 2HD1 ILE 48 -13.171 -4.168 2.476 422 H LYS 49 H LYS 49 -14.344 -5.592 -3.054 423 HA LYS 49 HA LYS 49 -16.115 -3.546 -3.952 424 HB2 LYS 49 2HB LYS 49 -15.262 -6.076 -5.417 425 HB3 LYS 49 3HB LYS 49 -15.933 -4.621 -6.156 426 HG2 LYS 49 2HG LYS 49 -13.942 -3.349 -5.604 427 HG3 LYS 49 3HG LYS 49 -13.282 -4.698 -4.673 428 HD2 LYS 49 2HD LYS 49 -13.796 -4.702 -7.679 429 HD3 LYS 49 3HD LYS 49 -12.218 -4.514 -6.910 430 HE2 LYS 49 2HE LYS 49 -12.416 -6.784 -5.944 431 HE3 LYS 49 3HE LYS 49 -14.002 -6.973 -6.694 432 HZ1 LYS 49 3HZ LYS 49 -12.362 -8.057 -8.024 433 HZ2 LYS 49 1HZ LYS 49 -11.406 -6.664 -8.104 434 HZ3 LYS 49 2HZ LYS 49 -12.912 -6.704 -8.866 435 H LYS 50 H LYS 50 -16.419 -6.997 -3.351 436 HA LYS 50 HA LYS 50 -19.131 -7.313 -4.185 437 HB2 LYS 50 2HB LYS 50 -17.276 -9.062 -4.139 438 HB3 LYS 50 3HB LYS 50 -17.445 -9.126 -2.396 439 HG2 LYS 50 2HG LYS 50 -19.816 -9.707 -4.186 440 HG3 LYS 50 3HG LYS 50 -18.588 -10.942 -3.917 441 HD2 LYS 50 2HD LYS 50 -20.280 -9.608 -1.761 442 HD3 LYS 50 3HD LYS 50 -20.504 -11.240 -2.398 443 HE2 LYS 50 2HE LYS 50 -18.315 -11.915 -1.511 444 HE3 LYS 50 3HE LYS 50 -18.023 -10.275 -0.923 445 HZ1 LYS 50 3HZ LYS 50 -20.264 -11.999 -0.025 446 HZ2 LYS 50 1HZ LYS 50 -19.826 -10.501 0.615 447 HZ3 LYS 50 2HZ LYS 50 -18.802 -11.834 0.804 448 H LEU 51 H LEU 51 -17.576 -6.321 -1.192 449 HA LEU 51 HA LEU 51 -19.910 -6.557 0.509 450 HB2 LEU 51 2HB LEU 51 -17.316 -4.993 0.872 451 HB3 LEU 51 3HB LEU 51 -18.588 -5.045 2.082 452 HG LEU 51 HG LEU 51 -16.930 -7.415 1.135 453 HD11 LEU 51 1HD1 LEU 51 -16.908 -5.982 3.807 454 HD12 LEU 51 2HD1 LEU 51 -15.651 -5.910 2.568 455 HD13 LEU 51 3HD1 LEU 51 -15.983 -7.431 3.393 456 HD21 LEU 51 3HD2 LEU 51 -19.194 -8.150 1.647 457 HD22 LEU 51 1HD2 LEU 51 -19.130 -7.348 3.219 458 HD23 LEU 51 2HD2 LEU 51 -18.072 -8.719 2.876 459 H GLY 52 H GLY 52 -18.511 -4.100 -1.579 460 HA2 GLY 52 2HA GLY 52 -19.414 -2.234 -2.539 461 HA3 GLY 52 3HA GLY 52 -20.967 -2.654 -1.830 462 H CYS 53 H CYS 53 -17.779 -1.745 -0.521 463 HA CYS 53 HA CYS 53 -18.983 0.312 1.199 464 HB2 CYS 53 2HB CYS 53 -16.105 -0.687 1.010 465 HB3 CYS 53 3HB CYS 53 -16.737 0.426 2.229 466 H LYS 54 H LYS 54 -19.248 2.278 0.251 467 HA LYS 54 HA LYS 54 -18.007 3.107 -2.154 468 HB2 LYS 54 2HB LYS 54 -19.526 4.695 -0.046 469 HB3 LYS 54 3HB LYS 54 -18.980 5.389 -1.570 470 HG2 LYS 54 2HG LYS 54 -20.413 3.898 -2.835 471 HG3 LYS 54 3HG LYS 54 -20.844 3.005 -1.380 472 HD2 LYS 54 2HD LYS 54 -22.701 4.424 -1.974 473 HD3 LYS 54 3HD LYS 54 -21.980 5.054 -0.496 474 HE2 LYS 54 2HE LYS 54 -21.395 6.194 -3.250 475 HE3 LYS 54 3HE LYS 54 -22.702 6.773 -2.222 476 HZ1 LYS 54 3HZ LYS 54 -20.946 7.212 -0.503 477 HZ2 LYS 54 1HZ LYS 54 -20.893 8.197 -1.874 478 HZ3 LYS 54 2HZ LYS 54 -19.792 6.934 -1.706 479 H ARG 55 H ARG 55 -17.687 4.951 0.918 480 HA ARG 55 HA ARG 55 -14.991 5.739 0.142 481 HB2 ARG 55 2HB ARG 55 -16.485 7.440 1.107 482 HB3 ARG 55 3HB ARG 55 -16.648 6.498 2.585 483 HG2 ARG 55 2HG ARG 55 -14.337 6.885 3.186 484 HG3 ARG 55 3HG ARG 55 -13.982 7.584 1.603 485 HD2 ARG 55 2HD ARG 55 -15.881 8.791 3.641 486 HD3 ARG 55 3HD ARG 55 -14.198 9.282 3.421 487 HE ARG 55 HE ARG 55 -16.244 9.515 1.284 488 HH11 ARG 55 1HH1 ARG 55 -13.559 10.945 3.090 489 HH12 ARG 55 2HH1 ARG 55 -13.549 12.401 2.137 490 HH21 ARG 55 1HH2 ARG 55 -16.206 11.427 0.061 491 HH22 ARG 55 2HH2 ARG 55 -15.049 12.666 0.425 492 H VAL 56 H VAL 56 -13.308 4.558 0.652 493 HA VAL 56 HA VAL 56 -13.159 3.148 3.253 494 HB VAL 56 HB VAL 56 -11.644 1.450 2.207 495 HG11 VAL 56 1HG1 VAL 56 -14.386 1.529 0.901 496 HG12 VAL 56 2HG1 VAL 56 -14.009 0.879 2.499 497 HG13 VAL 56 3HG1 VAL 56 -13.350 0.104 1.058 498 HG21 VAL 56 3HG2 VAL 56 -11.503 1.190 -0.248 499 HG22 VAL 56 1HG2 VAL 56 -10.827 2.736 0.274 500 HG23 VAL 56 2HG2 VAL 56 -12.428 2.680 -0.466 501 H ARG 57 H ARG 57 -11.389 3.626 4.434 502 HA ARG 57 HA ARG 57 -9.214 5.215 3.238 503 HB2 ARG 57 2HB ARG 57 -10.217 6.201 5.282 504 HB3 ARG 57 3HB ARG 57 -9.873 4.722 6.182 505 HG2 ARG 57 2HG ARG 57 -7.435 5.088 5.780 506 HG3 ARG 57 3HG ARG 57 -7.821 6.600 4.961 507 HD2 ARG 57 2HD ARG 57 -8.721 7.523 7.054 508 HD3 ARG 57 3HD ARG 57 -8.418 5.987 7.878 509 HE ARG 57 HE ARG 57 -5.975 6.568 6.953 510 HH11 ARG 57 1HH1 ARG 57 -8.230 8.591 8.767 511 HH12 ARG 57 2HH1 ARG 57 -6.972 9.534 9.499 512 HH21 ARG 57 1HH2 ARG 57 -4.355 7.861 7.842 513 HH22 ARG 57 2HH2 ARG 57 -4.763 9.114 8.967 514 H ILE 58 H ILE 58 -7.751 3.900 2.406 515 HA ILE 58 HA ILE 58 -6.926 1.406 3.723 516 HB ILE 58 HB ILE 58 -5.930 2.559 1.062 517 HG12 ILE 58 2HG1 ILE 58 -8.167 0.506 1.434 518 HG13 ILE 58 3HG1 ILE 58 -8.408 2.183 0.962 519 HG21 ILE 58 1HG2 ILE 58 -5.792 -0.272 2.173 520 HG22 ILE 58 2HG2 ILE 58 -4.451 0.871 2.085 521 HG23 ILE 58 3HG2 ILE 58 -5.177 0.251 0.602 522 HD11 ILE 58 3HD1 ILE 58 -8.559 0.697 -0.940 523 HD12 ILE 58 1HD1 ILE 58 -6.926 0.097 -0.645 524 HD13 ILE 58 2HD1 ILE 58 -7.182 1.782 -1.112 525 H SER 59 H SER 59 -5.593 1.999 5.397 526 HA SER 59 HA SER 59 -3.544 4.078 5.083 527 HB2 SER 59 2HB SER 59 -4.551 2.661 7.607 528 HB3 SER 59 3HB SER 59 -3.460 4.050 7.550 529 HG SER 59 HG SER 59 -6.215 3.909 7.002 530 H ILE 60 H ILE 60 -1.841 3.112 4.117 531 HA ILE 60 HA ILE 60 -0.960 0.418 4.952 532 HB ILE 60 HB ILE 60 -0.337 2.070 2.473 533 HG12 ILE 60 2HG1 ILE 60 -1.807 -0.580 2.800 534 HG13 ILE 60 3HG1 ILE 60 -2.556 0.979 2.470 535 HG21 ILE 60 1HG2 ILE 60 1.021 0.172 1.647 536 HG22 ILE 60 2HG2 ILE 60 0.827 -0.634 3.205 537 HG23 ILE 60 3HG2 ILE 60 1.711 0.888 3.104 538 HD11 ILE 60 3HD1 ILE 60 -1.408 1.049 0.295 539 HD12 ILE 60 1HD1 ILE 60 -2.459 -0.355 0.476 540 HD13 ILE 60 2HD1 ILE 60 -0.714 -0.543 0.627 541 H ARG 61 H ARG 61 0.604 0.374 6.408 542 HA ARG 61 HA ARG 61 2.626 2.537 6.557 543 HB2 ARG 61 2HB ARG 61 1.797 0.460 8.635 544 HB3 ARG 61 3HB ARG 61 3.065 1.667 8.856 545 HG2 ARG 61 2HG ARG 61 1.323 3.451 8.546 546 HG3 ARG 61 3HG ARG 61 0.098 2.179 8.497 547 HD2 ARG 61 2HD ARG 61 1.944 2.804 10.828 548 HD3 ARG 61 3HD ARG 61 0.220 3.181 10.722 549 HE ARG 61 HE ARG 61 0.880 0.372 10.410 550 HH11 ARG 61 1HH1 ARG 61 -0.017 2.865 12.734 551 HH12 ARG 61 2HH1 ARG 61 -0.587 1.722 13.908 552 HH21 ARG 61 1HH2 ARG 61 0.193 -1.091 11.972 553 HH22 ARG 61 2HH2 ARG 61 -0.466 -0.521 13.473 554 H VAL 62 H VAL 62 4.501 2.015 5.644 555 HA VAL 62 HA VAL 62 5.234 -0.799 5.217 556 HB VAL 62 HB VAL 62 5.460 0.698 3.261 557 HG11 VAL 62 1HG1 VAL 62 7.495 2.275 4.875 558 HG12 VAL 62 2HG1 VAL 62 5.895 2.837 4.379 559 HG13 VAL 62 3HG1 VAL 62 7.127 2.508 3.159 560 HG21 VAL 62 3HG2 VAL 62 6.985 -1.216 3.400 561 HG22 VAL 62 1HG2 VAL 62 8.163 -0.251 4.295 562 HG23 VAL 62 2HG2 VAL 62 7.794 0.141 2.612 563 H LYS 63 H LYS 63 6.895 -1.743 6.290 564 HA LYS 63 HA LYS 63 8.107 -0.421 8.561 565 HB2 LYS 63 2HB LYS 63 8.437 -3.189 7.337 566 HB3 LYS 63 3HB LYS 63 9.304 -2.660 8.777 567 HG2 LYS 63 2HG LYS 63 6.294 -3.003 8.505 568 HG3 LYS 63 3HG LYS 63 7.397 -4.076 9.351 569 HD2 LYS 63 2HD LYS 63 6.607 -2.924 11.172 570 HD3 LYS 63 3HD LYS 63 7.920 -1.830 10.752 571 HE2 LYS 63 2HE LYS 63 6.325 -0.364 9.577 572 HE3 LYS 63 3HE LYS 63 5.016 -1.495 9.925 573 HZ1 LYS 63 3HZ LYS 63 5.446 -1.115 12.314 574 HZ2 LYS 63 1HZ LYS 63 4.943 0.273 11.499 575 HZ3 LYS 63 2HZ LYS 63 6.568 0.092 11.903 576 H HIS 64 H HIS 64 9.708 0.934 8.204 577 HA HIS 64 HA HIS 64 11.190 1.036 5.734 578 HB2 HIS 64 2HB HIS 64 11.533 2.688 8.285 579 HB3 HIS 64 3HB HIS 64 12.180 3.081 6.691 580 HD1 HIS 64 HD1 HIS 64 9.062 3.221 8.734 581 HD2 HIS 64 HD2 HIS 64 10.255 4.067 4.839 582 HE1 HIS 64 HE1 HIS 64 7.180 4.540 7.725 583 HE2 HIS 64 HE2 HIS 64 8.042 5.249 5.474 584 H SER 65 H SER 65 13.392 0.686 5.489 585 HA SER 65 HA SER 65 14.354 -1.691 6.475 586 HB2 SER 65 2HB SER 65 15.932 0.587 5.212 587 HB3 SER 65 3HB SER 65 16.439 -1.106 5.269 588 HG SER 65 HG SER 65 15.181 -0.128 3.341 589 H ASP 66 H ASP 66 15.144 1.557 7.614 590 HA ASP 66 HA ASP 66 16.149 0.775 10.165 591 HB2 ASP 66 2HB ASP 66 18.118 0.025 8.963 592 HB3 ASP 66 3HB ASP 66 18.153 1.476 7.976 593 H ALA 67 H ALA 67 16.998 2.784 11.358 594 HA ALA 67 HA ALA 67 15.222 4.987 10.838 595 HB1 ALA 67 3HB ALA 67 15.714 4.227 13.132 596 HB2 ALA 67 1HB ALA 67 16.071 5.941 12.917 597 HB3 ALA 67 2HB ALA 67 17.389 4.760 12.958 598 H ALA 68 H ALA 68 18.675 4.443 10.219 599 HA ALA 68 HA ALA 68 19.178 7.191 9.384 600 HB1 ALA 68 3HB ALA 68 20.814 4.669 8.892 601 HB2 ALA 68 1HB ALA 68 21.025 5.794 10.233 602 HB3 ALA 68 2HB ALA 68 21.345 6.327 8.581 603 H GLU 69 H GLU 69 18.485 4.059 7.853 604 HA GLU 69 HA GLU 69 18.449 4.978 5.149 605 HB2 GLU 69 2HB GLU 69 17.151 2.495 6.367 606 HB3 GLU 69 3HB GLU 69 17.288 2.814 4.638 607 HG2 GLU 69 2HG GLU 69 19.790 2.841 4.905 608 HG3 GLU 69 3HG GLU 69 19.570 2.344 6.584 609 H GLU 70 H GLU 70 16.216 5.315 7.718 610 HA GLU 70 HA GLU 70 13.674 5.284 6.673 611 HB2 GLU 70 2HB GLU 70 14.143 5.616 9.040 612 HB3 GLU 70 3HB GLU 70 14.940 7.144 8.723 613 HG2 GLU 70 2HG GLU 70 12.767 7.495 9.757 614 HG3 GLU 70 3HG GLU 70 12.800 8.176 8.127 615 H LYS 71 H LYS 71 16.015 7.913 6.546 616 HA LYS 71 HA LYS 71 14.443 9.965 5.441 617 HB2 LYS 71 2HB LYS 71 17.457 9.481 5.327 618 HB3 LYS 71 3HB LYS 71 16.678 11.006 4.906 619 HG2 LYS 71 2HG LYS 71 15.964 11.372 7.182 620 HG3 LYS 71 3HG LYS 71 16.426 9.734 7.651 621 HD2 LYS 71 2HD LYS 71 18.046 11.448 8.439 622 HD3 LYS 71 3HD LYS 71 18.785 10.254 7.370 623 HE2 LYS 71 2HE LYS 71 19.562 12.565 6.907 624 HE3 LYS 71 3HE LYS 71 18.752 11.851 5.513 625 HZ1 LYS 71 3HZ LYS 71 16.765 13.097 6.062 626 HZ2 LYS 71 1HZ LYS 71 18.079 14.146 5.901 627 HZ3 LYS 71 2HZ LYS 71 17.509 13.744 7.437 628 H LYS 72 H LYS 72 16.382 7.424 3.953 629 HA LYS 72 HA LYS 72 15.957 8.321 1.234 630 HB2 LYS 72 2HB LYS 72 18.081 7.194 1.975 631 HB3 LYS 72 3HB LYS 72 17.169 5.737 2.311 632 HG2 LYS 72 2HG LYS 72 18.192 5.271 0.271 633 HG3 LYS 72 3HG LYS 72 16.567 5.743 -0.213 634 HD2 LYS 72 2HD LYS 72 18.942 7.650 -0.247 635 HD3 LYS 72 3HD LYS 72 18.502 6.644 -1.622 636 HE2 LYS 72 2HE LYS 72 16.307 7.782 -1.743 637 HE3 LYS 72 3HE LYS 72 16.758 8.790 -0.368 638 HZ1 LYS 72 3HZ LYS 72 18.082 8.749 -3.025 639 HZ2 LYS 72 1HZ LYS 72 18.628 9.633 -1.692 640 HZ3 LYS 72 2HZ LYS 72 17.130 9.989 -2.387 641 H GLU 73 H GLU 73 14.546 5.969 3.452 642 HA GLU 73 HA GLU 73 13.678 4.149 1.397 643 HB2 GLU 73 2HB GLU 73 14.505 3.431 3.676 644 HB3 GLU 73 3HB GLU 73 13.043 4.104 4.380 645 HG2 GLU 73 2HG GLU 73 12.956 1.640 4.118 646 HG3 GLU 73 3HG GLU 73 11.664 2.469 3.240 647 H ALA 74 H ALA 74 12.110 6.375 3.684 648 HA ALA 74 HA ALA 74 9.420 5.794 3.035 649 HB1 ALA 74 3HB ALA 74 10.058 6.939 5.092 650 HB2 ALA 74 1HB ALA 74 8.926 7.933 4.177 651 HB3 ALA 74 2HB ALA 74 10.654 8.327 4.175 652 H LYS 75 H LYS 75 11.610 8.364 1.961 653 HA LYS 75 HA LYS 75 9.923 9.719 0.190 654 HB2 LYS 75 2HB LYS 75 12.128 10.539 1.147 655 HB3 LYS 75 3HB LYS 75 12.962 9.492 0.010 656 HG2 LYS 75 2HG LYS 75 12.937 11.810 -0.796 657 HG3 LYS 75 3HG LYS 75 12.013 10.763 -1.883 658 HD2 LYS 75 2HD LYS 75 9.905 11.535 -0.809 659 HD3 LYS 75 3HD LYS 75 10.834 12.596 0.252 660 HE2 LYS 75 2HE LYS 75 11.537 13.946 -1.639 661 HE3 LYS 75 3HE LYS 75 10.811 12.807 -2.777 662 HZ1 LYS 75 3HZ LYS 75 9.410 14.754 -2.405 663 HZ2 LYS 75 1HZ LYS 75 9.310 14.387 -0.759 664 HZ3 LYS 75 2HZ LYS 75 8.640 13.336 -1.897 665 H LYS 76 H LYS 76 12.214 7.076 -0.408 666 HA LYS 76 HA LYS 76 12.009 6.884 -3.221 667 HB2 LYS 76 2HB LYS 76 13.846 5.948 -1.776 668 HB3 LYS 76 3HB LYS 76 12.745 4.720 -1.188 669 HG2 LYS 76 2HG LYS 76 13.495 4.954 -4.122 670 HG3 LYS 76 3HG LYS 76 14.495 4.068 -2.976 671 HD2 LYS 76 2HD LYS 76 11.648 3.426 -3.827 672 HD3 LYS 76 3HD LYS 76 13.108 2.500 -4.176 673 HE2 LYS 76 2HE LYS 76 11.800 2.853 -1.451 674 HE3 LYS 76 3HE LYS 76 11.817 1.390 -2.436 675 HZ1 LYS 76 3HZ LYS 76 13.436 1.339 -0.622 676 HZ2 LYS 76 1HZ LYS 76 14.236 2.676 -1.288 677 HZ3 LYS 76 2HZ LYS 76 14.177 1.213 -2.133 678 H PHE 77 H PHE 77 10.355 5.153 -0.580 679 HA PHE 77 HA PHE 77 8.978 3.343 -2.342 680 HB2 PHE 77 2HB PHE 77 9.821 2.863 0.057 681 HB3 PHE 77 3HB PHE 77 8.410 3.745 0.628 682 HD1 PHE 77 HD1 PHE 77 9.432 0.836 -1.496 683 HD2 PHE 77 HD2 PHE 77 6.336 2.580 0.886 684 HE1 PHE 77 HE1 PHE 77 8.114 -1.225 -1.682 685 HE2 PHE 77 HE2 PHE 77 5.027 0.508 0.690 686 HZ PHE 77 HZ PHE 77 5.910 -1.394 -0.595 687 H ALA 78 H ALA 78 8.268 6.415 -0.873 688 HA ALA 78 HA ALA 78 5.453 6.512 -1.094 689 HB1 ALA 78 3HB ALA 78 5.737 8.964 -1.022 690 HB2 ALA 78 1HB ALA 78 7.471 8.775 -1.327 691 HB3 ALA 78 2HB ALA 78 6.764 8.166 0.170 692 H ALA 79 H ALA 79 8.052 7.348 -3.366 693 HA ALA 79 HA ALA 79 6.450 8.232 -5.526 694 HB1 ALA 79 3HB ALA 79 9.264 7.085 -5.535 695 HB2 ALA 79 1HB ALA 79 8.834 8.782 -5.315 696 HB3 ALA 79 2HB ALA 79 8.518 7.985 -6.860 697 H ILE 80 H ILE 80 7.705 5.045 -4.601 698 HA ILE 80 HA ILE 80 6.973 3.537 -6.875 699 HB ILE 80 HB ILE 80 7.262 2.666 -3.959 700 HG12 ILE 80 2HG1 ILE 80 9.344 3.613 -4.821 701 HG13 ILE 80 3HG1 ILE 80 9.534 1.873 -4.661 702 HG21 ILE 80 1HG2 ILE 80 7.569 0.352 -4.777 703 HG22 ILE 80 2HG2 ILE 80 7.190 0.882 -6.418 704 HG23 ILE 80 3HG2 ILE 80 5.959 0.971 -5.158 705 HD11 ILE 80 3HD1 ILE 80 9.071 3.402 -7.218 706 HD12 ILE 80 1HD1 ILE 80 9.178 1.641 -7.094 707 HD13 ILE 80 2HD1 ILE 80 10.567 2.643 -6.680 708 H LEU 81 H LEU 81 5.246 4.228 -3.840 709 HA LEU 81 HA LEU 81 2.999 2.568 -4.266 710 HB2 LEU 81 2HB LEU 81 3.528 4.952 -2.465 711 HB3 LEU 81 3HB LEU 81 1.983 4.116 -2.444 712 HG LEU 81 HG LEU 81 4.613 2.686 -1.897 713 HD11 LEU 81 1HD1 LEU 81 2.730 3.884 0.142 714 HD12 LEU 81 2HD1 LEU 81 4.353 4.458 -0.242 715 HD13 LEU 81 3HD1 LEU 81 4.133 2.869 0.487 716 HD21 LEU 81 3HD2 LEU 81 3.184 0.984 -0.857 717 HD22 LEU 81 1HD2 LEU 81 2.756 1.223 -2.550 718 HD23 LEU 81 2HD2 LEU 81 1.741 1.910 -1.279 719 H ASN 82 H ASN 82 3.594 6.020 -4.869 720 HA ASN 82 HA ASN 82 0.956 6.840 -5.476 721 HB2 ASN 82 2HB ASN 82 3.086 8.261 -4.954 722 HB3 ASN 82 3HB ASN 82 3.448 8.137 -6.664 723 HD21 ASN 82 1HD2 ASN 82 0.663 8.488 -7.604 724 HD22 ASN 82 2HD2 ASN 82 0.262 10.118 -7.277 725 H LYS 83 H LYS 83 3.510 5.420 -7.464 726 HA LYS 83 HA LYS 83 2.237 5.642 -10.001 727 HB2 LYS 83 2HB LYS 83 4.386 3.713 -9.025 728 HB3 LYS 83 3HB LYS 83 3.861 3.831 -10.705 729 HG2 LYS 83 2HG LYS 83 5.154 6.057 -9.093 730 HG3 LYS 83 3HG LYS 83 5.961 5.062 -10.309 731 HD2 LYS 83 2HD LYS 83 4.471 5.971 -12.061 732 HD3 LYS 83 3HD LYS 83 3.611 6.932 -10.852 733 HE2 LYS 83 2HE LYS 83 5.223 8.309 -12.107 734 HE3 LYS 83 3HE LYS 83 5.663 8.222 -10.402 735 HZ1 LYS 83 3HZ LYS 83 7.341 6.597 -10.934 736 HZ2 LYS 83 1HZ LYS 83 7.567 7.971 -11.894 737 HZ3 LYS 83 2HZ LYS 83 6.879 6.575 -12.560 738 H VAL 84 H VAL 84 2.266 3.053 -7.516 739 HA VAL 84 HA VAL 84 1.063 1.050 -9.157 740 HB VAL 84 HB VAL 84 1.334 1.219 -6.119 741 HG11 VAL 84 1HG1 VAL 84 -0.523 -0.300 -6.641 742 HG12 VAL 84 2HG1 VAL 84 0.866 -1.226 -6.076 743 HG13 VAL 84 3HG1 VAL 84 0.485 -1.174 -7.796 744 HG21 VAL 84 3HG2 VAL 84 3.197 -0.388 -6.432 745 HG22 VAL 84 1HG2 VAL 84 3.490 1.119 -7.304 746 HG23 VAL 84 2HG2 VAL 84 2.964 -0.319 -8.181 747 H PHE 85 H PHE 85 -0.240 3.184 -6.624 748 HA PHE 85 HA PHE 85 -2.946 2.397 -6.743 749 HB2 PHE 85 2HB PHE 85 -1.824 5.136 -5.995 750 HB3 PHE 85 3HB PHE 85 -3.464 4.588 -5.655 751 HD1 PHE 85 HD1 PHE 85 -3.301 1.978 -4.531 752 HD2 PHE 85 HD2 PHE 85 -0.528 5.200 -4.025 753 HE1 PHE 85 HE1 PHE 85 -2.538 1.008 -2.400 754 HE2 PHE 85 HE2 PHE 85 0.226 4.213 -1.908 755 HZ PHE 85 HZ PHE 85 -0.773 2.120 -1.092 756 H ALA 86 H ALA 86 -1.134 4.763 -8.662 757 HA ALA 86 HA ALA 86 -3.304 5.798 -10.191 758 HB1 ALA 86 3HB ALA 86 -0.356 5.668 -10.900 759 HB2 ALA 86 1HB ALA 86 -1.144 6.962 -9.997 760 HB3 ALA 86 2HB ALA 86 -1.566 6.685 -11.690 761 H GLU 87 H GLU 87 -1.321 2.935 -10.462 762 HA GLU 87 HA GLU 87 -2.121 2.215 -13.165 763 HB2 GLU 87 2HB GLU 87 -0.512 0.741 -11.035 764 HB3 GLU 87 3HB GLU 87 -0.812 0.100 -12.650 765 HG2 GLU 87 2HG GLU 87 0.448 1.934 -13.661 766 HG3 GLU 87 3HG GLU 87 0.659 2.698 -12.088 767 H LEU 88 H LEU 88 -3.663 2.117 -10.227 768 HA LEU 88 HA LEU 88 -5.338 -0.238 -10.884 769 HB2 LEU 88 2HB LEU 88 -5.212 1.397 -8.309 770 HB3 LEU 88 3HB LEU 88 -6.228 -0.011 -8.576 771 HG LEU 88 HG LEU 88 -3.187 -0.015 -8.443 772 HD11 LEU 88 1HD1 LEU 88 -3.471 -1.242 -6.345 773 HD12 LEU 88 2HD1 LEU 88 -5.225 -1.070 -6.465 774 HD13 LEU 88 3HD1 LEU 88 -4.204 0.358 -6.263 775 HD21 LEU 88 3HD2 LEU 88 -5.077 -2.373 -8.769 776 HD22 LEU 88 1HD2 LEU 88 -3.331 -2.469 -8.510 777 HD23 LEU 88 2HD2 LEU 88 -3.961 -1.751 -9.989 778 H GLY 89 H GLY 89 -5.231 3.229 -10.683 779 HA2 GLY 89 2HA GLY 89 -6.876 4.305 -12.209 780 HA3 GLY 89 3HA GLY 89 -8.130 3.471 -11.307 781 H TYR 90 H TYR 90 -6.256 4.070 -8.826 782 HA TYR 90 HA TYR 90 -7.650 6.309 -7.820 783 HB2 TYR 90 2HB TYR 90 -4.964 5.184 -6.904 784 HB3 TYR 90 3HB TYR 90 -5.903 6.368 -6.010 785 HD1 TYR 90 HD2 TYR 90 -8.304 5.653 -5.265 786 HD2 TYR 90 HD1 TYR 90 -5.280 2.866 -6.463 787 HE1 TYR 90 HE2 TYR 90 -9.471 3.859 -4.059 788 HE2 TYR 90 HE1 TYR 90 -6.448 1.076 -5.242 789 HH TYR 90 HH TYR 90 -8.053 0.812 -3.444 790 H ASN 91 H ASN 91 -7.198 8.454 -7.773 791 HA ASN 91 HA ASN 91 -5.195 9.555 -9.581 792 HB2 ASN 91 2HB ASN 91 -7.328 10.867 -7.827 793 HB3 ASN 91 3HB ASN 91 -6.228 11.772 -8.858 794 HD21 ASN 91 1HD2 ASN 91 -7.791 8.697 -9.780 795 HD22 ASN 91 2HD2 ASN 91 -8.779 9.393 -11.003 796 H ASP 92 H ASP 92 -3.887 11.474 -8.735 797 HA ASP 92 HA ASP 92 -2.052 10.574 -6.802 798 HB2 ASP 92 2HB ASP 92 -2.453 13.404 -7.880 799 HB3 ASP 92 3HB ASP 92 -1.038 12.855 -6.984 800 H SER 93 H SER 93 -4.755 12.830 -6.568 801 HA SER 93 HA SER 93 -4.358 13.853 -3.987 802 HB2 SER 93 2HB SER 93 -6.827 14.437 -4.126 803 HB3 SER 93 3HB SER 93 -5.861 14.962 -5.507 804 HG SER 93 HG SER 93 -7.627 12.745 -5.352 805 H ASN 94 H ASN 94 -5.774 10.772 -4.987 806 HA ASN 94 HA ASN 94 -6.979 10.008 -2.537 807 HB2 ASN 94 2HB ASN 94 -5.660 8.296 -4.696 808 HB3 ASN 94 3HB ASN 94 -6.589 7.634 -3.353 809 HD21 ASN 94 1HD2 ASN 94 -8.801 7.609 -3.495 810 HD22 ASN 94 2HD2 ASN 94 -9.685 8.178 -4.866 811 H VAL 95 H VAL 95 -3.647 9.956 -3.677 812 HA VAL 95 HA VAL 95 -2.654 8.203 -1.572 813 HB VAL 95 HB VAL 95 -1.115 9.672 -3.773 814 HG11 VAL 95 1HG1 VAL 95 -0.305 7.225 -2.160 815 HG12 VAL 95 2HG1 VAL 95 0.343 8.854 -1.960 816 HG13 VAL 95 3HG1 VAL 95 0.634 7.966 -3.458 817 HG21 VAL 95 3HG2 VAL 95 -2.289 6.865 -3.881 818 HG22 VAL 95 1HG2 VAL 95 -1.256 7.596 -5.113 819 HG23 VAL 95 2HG2 VAL 95 -2.860 8.266 -4.794 820 H THR 96 H THR 96 -2.584 9.241 0.392 821 HA THR 96 HA THR 96 -1.369 11.953 0.615 822 HB THR 96 HB THR 96 -3.112 10.543 2.698 823 HG1 THR 96 HG1 THR 96 -4.364 10.731 0.853 824 HG21 THR 96 3HG2 THR 96 -1.806 12.503 3.529 825 HG22 THR 96 1HG2 THR 96 -3.549 12.822 3.543 826 HG23 THR 96 2HG2 THR 96 -2.534 13.507 2.274 827 H TRP 97 H TRP 97 0.224 12.249 2.348 828 HA TRP 97 HA TRP 97 1.221 9.781 3.653 829 HB2 TRP 97 2HB TRP 97 2.787 11.724 1.967 830 HB3 TRP 97 3HB TRP 97 3.573 11.140 3.427 831 HD1 TRP 97 HD1 TRP 97 2.414 9.894 -0.026 832 HE1 TRP 97 HE1 TRP 97 3.435 7.564 -0.427 833 HE3 TRP 97 HE3 TRP 97 4.356 9.010 4.639 834 HZ2 TRP 97 HZ2 TRP 97 4.873 5.621 1.026 835 HZ3 TRP 97 HZ3 TRP 97 5.534 6.884 5.046 836 HH2 TRP 97 HH2 TRP 97 5.786 5.220 3.272 837 H ASP 98 H ASP 98 1.036 9.931 5.715 838 HA ASP 98 HA ASP 98 1.658 12.285 7.289 839 HB2 ASP 98 2HB ASP 98 -0.663 12.389 8.315 840 HB3 ASP 98 3HB ASP 98 -0.607 12.895 6.629 841 H GLY 99 H GLY 99 2.533 11.591 9.163 842 HA2 GLY 99 2HA GLY 99 3.140 10.313 10.969 843 HA3 GLY 99 3HA GLY 99 1.542 9.575 10.879 844 H ASP 100 H ASP 100 4.320 9.566 8.679 845 HA ASP 100 HA ASP 100 5.452 8.059 7.494 846 HB2 ASP 100 2HB ASP 100 6.672 6.447 8.627 847 HB3 ASP 100 3HB ASP 100 6.152 7.459 9.956 848 H THR 101 H THR 101 2.393 7.869 7.590 849 HA THR 101 HA THR 101 1.942 5.150 6.505 850 HB THR 101 HB THR 101 -0.068 7.141 7.668 851 HG1 THR 101 HG1 THR 101 1.617 6.011 9.082 852 HG21 THR 101 3HG2 THR 101 -1.634 5.233 7.738 853 HG22 THR 101 1HG2 THR 101 -0.421 4.201 6.966 854 HG23 THR 101 2HG2 THR 101 -1.122 5.558 6.081 855 H VAL 102 H VAL 102 1.040 5.007 4.408 856 HA VAL 102 HA VAL 102 0.368 7.508 3.010 857 HB VAL 102 HB VAL 102 1.852 6.082 1.713 858 HG11 VAL 102 1HG1 VAL 102 1.240 3.842 0.904 859 HG12 VAL 102 2HG1 VAL 102 -0.220 3.877 1.894 860 HG13 VAL 102 3HG1 VAL 102 1.368 3.888 2.664 861 HG21 VAL 102 3HG2 VAL 102 0.560 5.875 -0.381 862 HG22 VAL 102 1HG2 VAL 102 0.191 7.384 0.463 863 HG23 VAL 102 2HG2 VAL 102 -0.945 6.035 0.529 864 H THR 103 H THR 103 -1.654 8.140 3.378 865 HA THR 103 HA THR 103 -3.811 6.248 3.963 866 HB THR 103 HB THR 103 -3.665 9.293 4.147 867 HG1 THR 103 HG1 THR 103 -2.814 8.802 6.010 868 HG21 THR 103 3HG2 THR 103 -5.861 9.172 5.300 869 HG22 THR 103 1HG2 THR 103 -5.957 7.448 4.924 870 HG23 THR 103 2HG2 THR 103 -5.978 8.640 3.622 871 H VAL 104 H VAL 104 -4.438 5.410 2.010 872 HA VAL 104 HA VAL 104 -5.051 7.183 -0.247 873 HB VAL 104 HB VAL 104 -5.184 4.128 -0.082 874 HG11 VAL 104 1HG1 VAL 104 -5.312 5.954 -2.518 875 HG12 VAL 104 2HG1 VAL 104 -6.658 5.031 -1.846 876 HG13 VAL 104 3HG1 VAL 104 -5.279 4.188 -2.556 877 HG21 VAL 104 3HG2 VAL 104 -2.881 4.937 0.225 878 HG22 VAL 104 1HG2 VAL 104 -3.006 5.898 -1.253 879 HG23 VAL 104 2HG2 VAL 104 -3.063 4.137 -1.337 880 H GLU 105 H GLU 105 -6.981 8.138 -0.023 881 HA GLU 105 HA GLU 105 -9.297 6.573 0.961 882 HB2 GLU 105 2HB GLU 105 -8.764 8.320 2.600 883 HB3 GLU 105 3HB GLU 105 -8.732 9.552 1.338 884 HG2 GLU 105 2HG GLU 105 -11.151 9.239 0.947 885 HG3 GLU 105 3HG GLU 105 -11.188 7.950 2.154 886 H GLY 106 H GLY 106 -10.911 6.418 -0.430 887 HA2 GLY 106 2HA GLY 106 -11.421 8.308 -2.562 888 HA3 GLY 106 3HA GLY 106 -10.756 6.767 -3.107 889 H GLN 107 H GLN 107 -12.850 6.720 -4.232 890 HA GLN 107 HA GLN 107 -14.901 5.425 -2.539 891 HB2 GLN 107 2HB GLN 107 -15.753 7.628 -3.188 892 HB3 GLN 107 3HB GLN 107 -15.395 7.305 -4.884 893 HG2 GLN 107 2HG GLN 107 -17.068 5.449 -4.857 894 HG3 GLN 107 3HG GLN 107 -17.434 5.834 -3.173 895 HE21 GLN 107 1HE2 GLN 107 -17.533 7.040 -6.459 896 HE22 GLN 107 2HE2 GLN 107 -18.815 8.176 -6.214 897 H LEU 108 H LEU 108 -14.916 3.382 -3.038 898 HA LEU 108 HA LEU 108 -14.424 2.193 -5.590 899 HB2 LEU 108 2HB LEU 108 -14.328 1.204 -3.153 900 HB3 LEU 108 3HB LEU 108 -16.055 0.987 -3.317 901 HG LEU 108 HG LEU 108 -14.048 -0.300 -5.213 902 HD11 LEU 108 1HD1 LEU 108 -14.251 -2.337 -3.883 903 HD12 LEU 108 2HD1 LEU 108 -15.278 -1.507 -2.715 904 HD13 LEU 108 3HD1 LEU 108 -13.588 -1.028 -2.907 905 HD21 LEU 108 3HD2 LEU 108 -15.892 -1.860 -5.724 906 HD22 LEU 108 1HD2 LEU 108 -16.349 -0.196 -6.098 907 HD23 LEU 108 2HD2 LEU 108 -16.962 -0.972 -4.635 908 H GLU 109 H GLU 109 -15.869 1.972 -7.248 909 HA GLU 109 HA GLU 109 -18.089 3.642 -7.458 910 HB2 GLU 109 2HB GLU 109 -16.815 2.876 -9.406 911 HB3 GLU 109 3HB GLU 109 -17.372 1.223 -9.160 912 HG2 GLU 109 2HG GLU 109 -19.667 1.876 -9.682 913 HG3 GLU 109 3HG GLU 109 -19.194 3.569 -9.801 914 H GLY 110 H GLY 110 -19.796 3.455 -6.187 915 HA2 GLY 110 2HA GLY 110 -21.706 1.337 -6.438 916 HA3 GLY 110 3HA GLY 110 -20.899 1.308 -4.868 917 H VAL 111 H VAL 111 -21.913 4.006 -6.968 918 HA VAL 111 HA VAL 111 -22.666 5.584 -4.664 919 HB VAL 111 HB VAL 111 -23.040 6.456 -7.555 920 HG11 VAL 111 1HG1 VAL 111 -24.013 7.943 -5.853 921 HG12 VAL 111 2HG1 VAL 111 -22.642 8.726 -6.641 922 HG13 VAL 111 3HG1 VAL 111 -22.457 8.043 -5.023 923 HG21 VAL 111 3HG2 VAL 111 -20.452 6.590 -5.967 924 HG22 VAL 111 1HG2 VAL 111 -20.732 7.339 -7.544 925 HG23 VAL 111 2HG2 VAL 111 -20.753 5.581 -7.385 926 H ASP 112 H ASP 112 -24.376 4.251 -3.959 927 HA ASP 112 HA ASP 112 -26.943 5.256 -4.501 928 HB2 ASP 112 2HB ASP 112 -26.868 3.699 -6.460 929 HB3 ASP 112 3HB ASP 112 -26.521 2.355 -5.381 930 H LEU 113 H LEU 113 -24.926 2.724 -3.217 931 HA LEU 113 HA LEU 113 -26.528 1.951 -0.997 932 HB2 LEU 113 2HB LEU 113 -23.507 1.724 -1.320 933 HB3 LEU 113 3HB LEU 113 -24.495 0.830 -0.170 934 HG LEU 113 HG LEU 113 -24.555 0.532 -3.205 935 HD11 LEU 113 1HD1 LEU 113 -23.648 -1.707 -2.825 936 HD12 LEU 113 2HD1 LEU 113 -23.554 -1.396 -1.089 937 HD13 LEU 113 3HD1 LEU 113 -22.562 -0.460 -2.212 938 HD21 LEU 113 3HD2 LEU 113 -26.798 0.204 -2.331 939 HD22 LEU 113 1HD2 LEU 113 -26.205 -0.934 -1.117 940 HD23 LEU 113 2HD2 LEU 113 -26.121 -1.341 -2.834 941 H GLU 114 H GLU 114 -27.220 3.913 -0.120 942 HA GLU 114 HA GLU 114 -25.477 5.979 0.813 943 HB2 GLU 114 2HB GLU 114 -27.791 6.606 2.108 944 HB3 GLU 114 3HB GLU 114 -27.489 6.997 0.427 945 HG2 GLU 114 2HG GLU 114 -29.735 6.124 0.694 946 HG3 GLU 114 3HG GLU 114 -28.771 5.033 -0.295 947 H HIS 115 H HIS 115 -24.931 6.552 2.903 948 HA HIS 115 HA HIS 115 -24.194 4.401 4.585 949 HB2 HIS 115 2HB HIS 115 -23.120 6.089 6.012 950 HB3 HIS 115 3HB HIS 115 -22.794 6.452 4.325 951 HD1 HIS 115 HD1 HIS 115 -23.531 8.156 7.315 952 HD2 HIS 115 HD2 HIS 115 -24.917 8.551 3.418 953 HE1 HIS 115 HE1 HIS 115 -24.553 10.439 7.188 954 HE2 HIS 115 HE2 HIS 115 -25.209 10.715 4.779 955 H HIS 116 H HIS 116 -25.984 3.308 5.389 956 HA HIS 116 HA HIS 116 -28.096 4.515 6.894 957 HB2 HIS 116 2HB HIS 116 -27.098 1.645 6.752 958 HB3 HIS 116 3HB HIS 116 -28.394 2.114 7.847 959 HD1 HIS 116 HD1 HIS 116 -30.696 2.532 6.856 960 HD2 HIS 116 HD2 HIS 116 -27.799 1.742 3.997 961 HE1 HIS 116 HE1 HIS 116 -31.951 2.131 4.725 962 HE2 HIS 116 HE2 HIS 116 -30.149 1.981 2.983 963 H HIS 117 H HIS 117 -24.815 3.651 7.684 964 HA HIS 117 HA HIS 117 -24.970 4.192 10.481 965 HB2 HIS 117 2HB HIS 117 -22.679 4.422 8.485 966 HB3 HIS 117 3HB HIS 117 -22.481 4.846 10.181 967 HD1 HIS 117 HD1 HIS 117 -22.211 2.951 11.853 968 HD2 HIS 117 HD2 HIS 117 -23.075 1.603 8.021 969 HE1 HIS 117 HE1 HIS 117 -21.808 0.475 11.896 970 HE2 HIS 117 HE2 HIS 117 -22.508 -0.334 9.622 971 H HIS 118 H HIS 118 -26.422 5.862 10.646 972 HA HIS 118 HA HIS 118 -25.326 8.517 10.725 973 HB2 HIS 118 2HB HIS 118 -26.900 9.673 9.283 974 HB3 HIS 118 3HB HIS 118 -26.188 8.387 8.316 975 HD1 HIS 118 HD1 HIS 118 -29.418 9.458 9.913 976 HD2 HIS 118 HD2 HIS 118 -28.015 6.421 7.454 977 HE1 HIS 118 HE1 HIS 118 -31.452 8.260 9.073 978 HE2 HIS 118 HE2 HIS 118 -30.559 6.318 7.767 979 H HIS 119 H HIS 119 -27.105 10.040 11.631 980 HA HIS 119 HA HIS 119 -28.206 8.736 13.958 981 HB2 HIS 119 2HB HIS 119 -27.096 10.945 14.115 982 HB3 HIS 119 3HB HIS 119 -28.347 11.653 13.099 983 HD1 HIS 119 HD1 HIS 119 -30.292 12.643 14.316 984 HD2 HIS 119 HD2 HIS 119 -28.225 9.908 16.677 985 HE1 HIS 119 HE1 HIS 119 -31.359 12.754 16.589 986 HE2 HIS 119 HE2 HIS 119 -30.009 11.185 18.019 987 H HIS 120 H HIS 120 -30.210 8.005 14.185 988 HA HIS 120 HA HIS 120 -32.518 9.273 12.933 989 HB2 HIS 120 2HB HIS 120 -32.045 7.563 11.265 990 HB3 HIS 120 3HB HIS 120 -31.814 6.330 12.500 991 HD1 HIS 120 HD1 HIS 120 -33.753 4.831 12.784 992 HD2 HIS 120 HD2 HIS 120 -34.937 8.549 11.344 993 HE1 HIS 120 HE1 HIS 120 -36.226 4.656 12.406 994 HE2 HIS 120 HE2 HIS 120 -36.936 6.952 11.671 Start of MODEL 19 1 H1 MET 1 1H MET 1 23.842 -9.098 0.358 2 H2 MET 1 2H MET 1 23.969 -8.556 -1.238 3 H3 MET 1 3H MET 1 23.090 -9.957 -0.886 4 HA MET 1 HA MET 1 21.459 -8.729 0.311 5 HB2 MET 1 2HB MET 1 23.033 -6.997 1.183 6 HB3 MET 1 3HB MET 1 23.123 -6.278 -0.418 7 HG2 MET 1 2HG MET 1 21.659 -4.957 0.989 8 HG3 MET 1 3HG MET 1 20.700 -5.727 -0.272 9 HE1 MET 1 3HE MET 1 20.739 -7.144 4.142 10 HE2 MET 1 1HE MET 1 21.653 -5.752 3.567 11 HE3 MET 1 2HE MET 1 22.120 -7.380 3.070 12 H SER 2 H SER 2 20.752 -9.934 -1.603 13 HA SER 2 HA SER 2 20.634 -8.596 -4.182 14 HB2 SER 2 2HB SER 2 19.528 -11.287 -3.284 15 HB3 SER 2 3HB SER 2 19.615 -10.716 -4.953 16 HG SER 2 HG SER 2 21.537 -11.533 -4.970 17 H GLY 3 H GLY 3 19.337 -6.928 -2.598 18 HA2 GLY 3 2HA GLY 3 17.266 -5.849 -3.437 19 HA3 GLY 3 3HA GLY 3 16.442 -7.364 -3.110 20 H LYS 4 H LYS 4 14.998 -6.741 -1.593 21 HA LYS 4 HA LYS 4 15.849 -5.805 1.019 22 HB2 LYS 4 2HB LYS 4 15.701 -3.686 -0.265 23 HB3 LYS 4 3HB LYS 4 14.084 -4.099 -0.808 24 HG2 LYS 4 2HG LYS 4 13.690 -2.515 0.849 25 HG3 LYS 4 3HG LYS 4 13.430 -4.029 1.708 26 HD2 LYS 4 2HD LYS 4 16.040 -2.463 1.806 27 HD3 LYS 4 3HD LYS 4 14.728 -2.230 2.954 28 HE2 LYS 4 2HE LYS 4 14.948 -4.577 3.683 29 HE3 LYS 4 3HE LYS 4 16.268 -4.808 2.535 30 HZ1 LYS 4 3HZ LYS 4 17.083 -4.382 4.779 31 HZ2 LYS 4 1HZ LYS 4 16.285 -2.894 4.809 32 HZ3 LYS 4 2HZ LYS 4 17.554 -3.148 3.725 33 H LYS 5 H LYS 5 14.571 -6.807 2.501 34 HA LYS 5 HA LYS 5 11.852 -7.707 1.809 35 HB2 LYS 5 2HB LYS 5 13.395 -9.308 3.008 36 HB3 LYS 5 3HB LYS 5 13.439 -8.198 4.373 37 HG2 LYS 5 2HG LYS 5 10.857 -8.462 4.440 38 HG3 LYS 5 3HG LYS 5 11.095 -9.836 3.358 39 HD2 LYS 5 2HD LYS 5 10.933 -10.652 5.644 40 HD3 LYS 5 3HD LYS 5 12.593 -10.882 5.086 41 HE2 LYS 5 2HE LYS 5 13.348 -8.969 6.369 42 HE3 LYS 5 3HE LYS 5 11.691 -8.514 6.755 43 HZ1 LYS 5 3HZ LYS 5 11.472 -10.562 8.033 44 HZ2 LYS 5 1HZ LYS 5 12.721 -9.596 8.630 45 HZ3 LYS 5 2HZ LYS 5 13.075 -10.963 7.706 46 H VAL 6 H VAL 6 10.069 -6.804 2.768 47 HA VAL 6 HA VAL 6 10.330 -4.808 4.912 48 HB VAL 6 HB VAL 6 10.440 -3.405 2.909 49 HG11 VAL 6 1HG1 VAL 6 9.434 -4.941 1.265 50 HG12 VAL 6 2HG1 VAL 6 8.700 -3.339 1.189 51 HG13 VAL 6 3HG1 VAL 6 7.841 -4.668 1.975 52 HG21 VAL 6 3HG2 VAL 6 9.160 -2.549 4.817 53 HG22 VAL 6 1HG2 VAL 6 7.677 -3.214 4.128 54 HG23 VAL 6 2HG2 VAL 6 8.544 -1.925 3.287 55 H GLU 7 H GLU 7 8.433 -4.622 6.197 56 HA GLU 7 HA GLU 7 6.284 -6.569 5.600 57 HB2 GLU 7 2HB GLU 7 6.935 -5.349 8.317 58 HB3 GLU 7 3HB GLU 7 5.673 -6.519 7.975 59 HG2 GLU 7 2HG GLU 7 7.376 -7.793 8.955 60 HG3 GLU 7 3HG GLU 7 7.544 -8.101 7.231 61 H VAL 8 H VAL 8 4.527 -5.707 4.870 62 HA VAL 8 HA VAL 8 3.957 -2.817 5.134 63 HB VAL 8 HB VAL 8 3.026 -4.872 3.054 64 HG11 VAL 8 1HG1 VAL 8 2.021 -2.994 1.819 65 HG12 VAL 8 2HG1 VAL 8 2.458 -1.888 3.122 66 HG13 VAL 8 3HG1 VAL 8 1.278 -3.168 3.413 67 HG21 VAL 8 3HG2 VAL 8 4.446 -3.622 1.468 68 HG22 VAL 8 1HG2 VAL 8 5.404 -4.256 2.812 69 HG23 VAL 8 2HG2 VAL 8 4.964 -2.546 2.768 70 H GLN 9 H GLN 9 2.200 -2.258 6.395 71 HA GLN 9 HA GLN 9 0.171 -4.329 7.034 72 HB2 GLN 9 2HB GLN 9 0.872 -1.812 8.621 73 HB3 GLN 9 3HB GLN 9 -0.358 -2.997 9.054 74 HG2 GLN 9 2HG GLN 9 1.489 -4.725 9.197 75 HG3 GLN 9 3HG GLN 9 2.642 -3.404 9.003 76 HE21 GLN 9 1HE2 GLN 9 0.367 -4.925 11.148 77 HE22 GLN 9 2HE2 GLN 9 0.780 -4.027 12.564 78 H VAL 10 H VAL 10 -1.384 -4.075 5.522 79 HA VAL 10 HA VAL 10 -2.279 -1.398 4.682 80 HB VAL 10 HB VAL 10 -3.007 -4.177 3.620 81 HG11 VAL 10 1HG1 VAL 10 -4.129 -3.025 1.742 82 HG12 VAL 10 2HG1 VAL 10 -3.834 -1.469 2.521 83 HG13 VAL 10 3HG1 VAL 10 -4.900 -2.650 3.287 84 HG21 VAL 10 3HG2 VAL 10 -1.241 -2.016 2.412 85 HG22 VAL 10 1HG2 VAL 10 -1.672 -3.543 1.633 86 HG23 VAL 10 2HG2 VAL 10 -0.692 -3.547 3.102 87 H LYS 11 H LYS 11 -3.809 -0.499 5.952 88 HA LYS 11 HA LYS 11 -5.807 -2.208 7.331 89 HB2 LYS 11 2HB LYS 11 -4.391 -0.780 8.811 90 HB3 LYS 11 3HB LYS 11 -4.869 0.650 7.901 91 HG2 LYS 11 2HG LYS 11 -7.268 0.144 8.602 92 HG3 LYS 11 3HG LYS 11 -6.605 -1.067 9.698 93 HD2 LYS 11 2HD LYS 11 -5.912 1.897 9.759 94 HD3 LYS 11 3HD LYS 11 -7.111 1.130 10.797 95 HE2 LYS 11 2HE LYS 11 -5.312 -0.299 11.765 96 HE3 LYS 11 3HE LYS 11 -4.125 0.556 10.773 97 HZ1 LYS 11 3HZ LYS 11 -5.895 1.878 12.773 98 HZ2 LYS 11 1HZ LYS 11 -4.628 2.594 11.917 99 HZ3 LYS 11 2HZ LYS 11 -4.301 1.413 13.080 100 H ILE 12 H ILE 12 -7.547 -2.344 5.915 101 HA ILE 12 HA ILE 12 -8.545 0.148 4.640 102 HB ILE 12 HB ILE 12 -7.743 -1.366 2.922 103 HG12 ILE 12 2HG1 ILE 12 -10.790 -1.481 2.936 104 HG13 ILE 12 3HG1 ILE 12 -9.843 -0.075 2.460 105 HG21 ILE 12 1HG2 ILE 12 -7.814 -3.503 4.122 106 HG22 ILE 12 2HG2 ILE 12 -8.607 -3.636 2.552 107 HG23 ILE 12 3HG2 ILE 12 -9.578 -3.516 4.022 108 HD11 ILE 12 3HD1 ILE 12 -10.645 -1.274 0.520 109 HD12 ILE 12 1HD1 ILE 12 -9.856 -2.756 1.062 110 HD13 ILE 12 2HD1 ILE 12 -8.887 -1.354 0.597 111 H THR 13 H THR 13 -10.364 0.858 5.493 112 HA THR 13 HA THR 13 -12.069 -0.921 7.114 113 HB THR 13 HB THR 13 -11.802 2.118 7.165 114 HG1 THR 13 HG1 THR 13 -10.971 0.644 9.364 115 HG21 THR 13 3HG2 THR 13 -14.020 1.382 7.965 116 HG22 THR 13 1HG2 THR 13 -13.037 2.007 9.296 117 HG23 THR 13 2HG2 THR 13 -13.246 0.266 9.094 118 H CYS 14 H CYS 14 -14.149 -1.245 6.600 119 HA CYS 14 HA CYS 14 -15.807 0.634 5.220 120 HB2 CYS 14 2HB CYS 14 -14.812 -0.330 3.228 121 HB3 CYS 14 3HB CYS 14 -15.110 -1.972 3.804 122 H ASN 15 H ASN 15 -17.914 0.364 5.702 123 HA ASN 15 HA ASN 15 -19.881 -0.364 6.514 124 HB2 ASN 15 2HB ASN 15 -18.753 -3.052 5.632 125 HB3 ASN 15 3HB ASN 15 -20.419 -2.833 6.160 126 HD21 ASN 15 1HD2 ASN 15 -19.338 -3.668 3.553 127 HD22 ASN 15 2HD2 ASN 15 -20.002 -2.574 2.394 128 H GLY 16 H GLY 16 -17.733 -0.006 8.393 129 HA2 GLY 16 2HA GLY 16 -17.838 0.022 10.721 130 HA3 GLY 16 3HA GLY 16 -19.011 -1.281 10.688 131 H LYS 17 H LYS 17 -16.564 -2.290 8.723 132 HA LYS 17 HA LYS 17 -15.101 -3.630 10.929 133 HB2 LYS 17 2HB LYS 17 -16.026 -4.684 8.235 134 HB3 LYS 17 3HB LYS 17 -14.600 -5.381 8.989 135 HG2 LYS 17 2HG LYS 17 -17.378 -5.306 10.200 136 HG3 LYS 17 3HG LYS 17 -16.607 -6.706 9.455 137 HD2 LYS 17 2HD LYS 17 -15.691 -5.279 11.983 138 HD3 LYS 17 3HD LYS 17 -16.471 -6.858 11.897 139 HE2 LYS 17 2HE LYS 17 -14.533 -7.792 10.728 140 HE3 LYS 17 3HE LYS 17 -13.763 -6.202 10.683 141 HZ1 LYS 17 3HZ LYS 17 -12.859 -7.511 12.480 142 HZ2 LYS 17 1HZ LYS 17 -14.395 -7.767 13.132 143 HZ3 LYS 17 2HZ LYS 17 -13.731 -6.215 13.122 144 H THR 18 H THR 18 -12.909 -3.825 10.782 145 HA THR 18 HA THR 18 -11.492 -2.288 8.685 146 HB THR 18 HB THR 18 -10.774 -2.746 11.620 147 HG1 THR 18 HG1 THR 18 -12.322 -1.024 10.965 148 HG21 THR 18 3HG2 THR 18 -8.761 -1.357 11.202 149 HG22 THR 18 1HG2 THR 18 -9.128 -1.341 9.477 150 HG23 THR 18 2HG2 THR 18 -8.704 -2.859 10.275 151 H TYR 19 H TYR 19 -10.083 -3.414 7.493 152 HA TYR 19 HA TYR 19 -9.378 -6.200 8.223 153 HB2 TYR 19 2HB TYR 19 -9.666 -4.941 5.448 154 HB3 TYR 19 3HB TYR 19 -9.283 -6.629 5.781 155 HD1 TYR 19 HD1 TYR 19 -11.040 -8.180 6.587 156 HD2 TYR 19 HD2 TYR 19 -11.968 -4.092 5.753 157 HE1 TYR 19 HE1 TYR 19 -13.441 -8.696 6.697 158 HE2 TYR 19 HE2 TYR 19 -14.362 -4.608 5.856 159 HH TYR 19 HH TYR 19 -15.852 -6.544 5.629 160 H GLU 20 H GLU 20 -7.418 -5.943 9.165 161 HA GLU 20 HA GLU 20 -5.286 -4.597 7.631 162 HB2 GLU 20 2HB GLU 20 -4.314 -3.809 9.815 163 HB3 GLU 20 3HB GLU 20 -5.823 -3.053 9.353 164 HG2 GLU 20 2HG GLU 20 -6.113 -3.345 11.629 165 HG3 GLU 20 3HG GLU 20 -6.942 -4.752 10.973 166 H ARG 21 H ARG 21 -3.268 -5.530 7.684 167 HA ARG 21 HA ARG 21 -2.731 -8.006 9.066 168 HB2 ARG 21 2HB ARG 21 -4.250 -8.890 7.366 169 HB3 ARG 21 3HB ARG 21 -3.407 -8.030 6.086 170 HG2 ARG 21 2HG ARG 21 -2.884 -10.420 6.025 171 HG3 ARG 21 3HG ARG 21 -1.439 -9.472 6.384 172 HD2 ARG 21 2HD ARG 21 -1.763 -10.012 8.802 173 HD3 ARG 21 3HD ARG 21 -3.108 -11.063 8.351 174 HE ARG 21 HE ARG 21 -0.745 -11.727 6.916 175 HH11 ARG 21 1HH1 ARG 21 -2.224 -12.120 10.082 176 HH12 ARG 21 2HH1 ARG 21 -1.345 -13.572 10.436 177 HH21 ARG 21 1HH2 ARG 21 0.399 -13.623 7.409 178 HH22 ARG 21 2HH2 ARG 21 0.131 -14.419 8.931 179 H THR 22 H THR 22 -0.562 -8.573 8.961 180 HA THR 22 HA THR 22 1.306 -6.640 7.774 181 HB THR 22 HB THR 22 1.844 -8.851 9.810 182 HG1 THR 22 HG1 THR 22 0.356 -6.819 10.219 183 HG21 THR 22 3HG2 THR 22 3.883 -7.556 10.346 184 HG22 THR 22 1HG2 THR 22 3.480 -6.378 9.098 185 HG23 THR 22 2HG2 THR 22 3.892 -8.034 8.646 186 H TYR 23 H TYR 23 1.918 -7.205 5.764 187 HA TYR 23 HA TYR 23 2.249 -10.011 4.912 188 HB2 TYR 23 2HB TYR 23 2.408 -7.587 3.060 189 HB3 TYR 23 3HB TYR 23 1.976 -9.245 2.657 190 HD1 TYR 23 HD2 TYR 23 -0.337 -10.085 3.146 191 HD2 TYR 23 HD1 TYR 23 0.770 -6.036 3.910 192 HE1 TYR 23 HE2 TYR 23 -2.708 -9.468 3.389 193 HE2 TYR 23 HE1 TYR 23 -1.578 -5.425 4.141 194 HH TYR 23 HH TYR 23 -4.038 -7.640 4.515 195 H GLN 24 H GLN 24 4.276 -10.749 4.284 196 HA GLN 24 HA GLN 24 6.581 -8.919 4.680 197 HB2 GLN 24 2HB GLN 24 6.380 -11.961 4.880 198 HB3 GLN 24 3HB GLN 24 7.915 -11.103 4.836 199 HG2 GLN 24 2HG GLN 24 7.435 -11.587 7.134 200 HG3 GLN 24 3HG GLN 24 7.227 -9.856 6.897 201 HE21 GLN 24 1HE2 GLN 24 5.851 -9.564 8.651 202 HE22 GLN 24 2HE2 GLN 24 4.244 -10.200 8.705 203 H LEU 25 H LEU 25 7.222 -8.087 2.829 204 HA LEU 25 HA LEU 25 6.984 -9.572 0.286 205 HB2 LEU 25 2HB LEU 25 6.973 -6.550 0.738 206 HB3 LEU 25 3HB LEU 25 6.825 -7.351 -0.818 207 HG LEU 25 HG LEU 25 4.781 -7.391 1.436 208 HD11 LEU 25 1HD1 LEU 25 4.659 -6.097 -1.311 209 HD12 LEU 25 2HD1 LEU 25 4.838 -5.266 0.237 210 HD13 LEU 25 3HD1 LEU 25 3.352 -6.139 -0.121 211 HD21 LEU 25 3HD2 LEU 25 4.639 -8.772 -1.265 212 HD22 LEU 25 1HD2 LEU 25 3.313 -8.631 -0.105 213 HD23 LEU 25 2HD2 LEU 25 4.753 -9.551 0.317 214 H TYR 26 H TYR 26 9.033 -10.498 0.237 215 HA TYR 26 HA TYR 26 11.403 -8.753 0.219 216 HB2 TYR 26 2HB TYR 26 11.667 -10.975 1.278 217 HB3 TYR 26 3HB TYR 26 11.147 -11.775 -0.200 218 HD1 TYR 26 HD1 TYR 26 13.905 -9.778 1.325 219 HD2 TYR 26 HD2 TYR 26 12.742 -12.162 -2.031 220 HE1 TYR 26 HE1 TYR 26 16.234 -9.828 0.553 221 HE2 TYR 26 HE2 TYR 26 15.077 -12.213 -2.802 222 HH TYR 26 HH TYR 26 17.143 -10.913 -2.545 223 H ALA 27 H ALA 27 12.376 -8.097 -1.623 224 HA ALA 27 HA ALA 27 11.599 -9.173 -4.261 225 HB1 ALA 27 3HB ALA 27 10.145 -7.236 -3.894 226 HB2 ALA 27 1HB ALA 27 11.353 -6.849 -5.118 227 HB3 ALA 27 2HB ALA 27 11.534 -6.233 -3.474 228 H VAL 28 H VAL 28 13.247 -8.920 -5.825 229 HA VAL 28 HA VAL 28 15.933 -8.442 -4.842 230 HB VAL 28 HB VAL 28 15.005 -9.081 -7.684 231 HG11 VAL 28 1HG1 VAL 28 17.232 -8.033 -7.679 232 HG12 VAL 28 2HG1 VAL 28 17.358 -9.741 -8.102 233 HG13 VAL 28 3HG1 VAL 28 17.800 -9.199 -6.481 234 HG21 VAL 28 3HG2 VAL 28 16.074 -10.959 -5.537 235 HG22 VAL 28 1HG2 VAL 28 15.681 -11.411 -7.200 236 HG23 VAL 28 2HG2 VAL 28 14.404 -10.881 -6.102 237 H ARG 29 H ARG 29 13.648 -6.841 -7.016 238 HA ARG 29 HA ARG 29 15.281 -4.369 -6.918 239 HB2 ARG 29 2HB ARG 29 13.405 -5.307 -9.136 240 HB3 ARG 29 3HB ARG 29 14.107 -3.695 -9.050 241 HG2 ARG 29 2HG ARG 29 16.381 -4.707 -9.237 242 HG3 ARG 29 3HG ARG 29 15.630 -6.297 -9.417 243 HD2 ARG 29 2HD ARG 29 14.526 -5.604 -11.467 244 HD3 ARG 29 3HD ARG 29 15.080 -3.942 -11.262 245 HE ARG 29 HE ARG 29 16.902 -6.224 -11.761 246 HH11 ARG 29 1HH1 ARG 29 15.990 -2.864 -12.352 247 HH12 ARG 29 2HH1 ARG 29 17.306 -2.583 -13.450 248 HH21 ARG 29 1HH2 ARG 29 18.575 -5.838 -13.257 249 HH22 ARG 29 2HH2 ARG 29 18.766 -4.262 -13.960 250 H ASP 30 H ASP 30 14.051 -2.387 -6.933 251 HA ASP 30 HA ASP 30 11.762 -2.256 -5.273 252 HB2 ASP 30 2HB ASP 30 11.727 0.141 -5.878 253 HB3 ASP 30 3HB ASP 30 13.355 -0.392 -5.485 254 H GLU 31 H GLU 31 12.214 -2.321 -8.789 255 HA GLU 31 HA GLU 31 9.623 -1.922 -9.727 256 HB2 GLU 31 2HB GLU 31 11.906 -3.637 -10.766 257 HB3 GLU 31 3HB GLU 31 10.402 -3.463 -11.662 258 HG2 GLU 31 2HG GLU 31 12.142 -1.109 -10.863 259 HG3 GLU 31 3HG GLU 31 12.308 -1.966 -12.393 260 H GLU 32 H GLU 32 11.138 -4.874 -8.475 261 HA GLU 32 HA GLU 32 8.994 -6.653 -9.034 262 HB2 GLU 32 2HB GLU 32 11.140 -6.898 -6.891 263 HB3 GLU 32 3HB GLU 32 10.137 -8.210 -7.496 264 HG2 GLU 32 2HG GLU 32 12.255 -6.686 -9.034 265 HG3 GLU 32 3HG GLU 32 12.392 -8.326 -8.417 266 H LEU 33 H LEU 33 9.862 -4.678 -6.206 267 HA LEU 33 HA LEU 33 7.934 -5.647 -4.380 268 HB2 LEU 33 2HB LEU 33 10.079 -4.044 -4.103 269 HB3 LEU 33 3HB LEU 33 8.885 -2.776 -4.244 270 HG LEU 33 HG LEU 33 9.430 -3.231 -1.887 271 HD11 LEU 33 1HD1 LEU 33 6.593 -4.137 -2.438 272 HD12 LEU 33 2HD1 LEU 33 7.149 -2.466 -2.309 273 HD13 LEU 33 3HD1 LEU 33 7.226 -3.524 -0.903 274 HD21 LEU 33 3HD2 LEU 33 10.102 -5.566 -2.042 275 HD22 LEU 33 1HD2 LEU 33 8.433 -6.060 -2.338 276 HD23 LEU 33 2HD2 LEU 33 8.891 -5.359 -0.783 277 H LYS 34 H LYS 34 7.786 -3.193 -6.908 278 HA LYS 34 HA LYS 34 5.455 -1.808 -6.189 279 HB2 LYS 34 2HB LYS 34 6.701 -2.326 -8.919 280 HB3 LYS 34 3HB LYS 34 5.340 -1.228 -8.675 281 HG2 LYS 34 2HG LYS 34 6.656 0.223 -7.273 282 HG3 LYS 34 3HG LYS 34 7.992 -0.927 -7.241 283 HD2 LYS 34 2HD LYS 34 8.469 0.958 -8.747 284 HD3 LYS 34 3HD LYS 34 8.395 -0.566 -9.634 285 HE2 LYS 34 2HE LYS 34 6.134 -0.021 -10.411 286 HE3 LYS 34 3HE LYS 34 6.156 1.472 -9.468 287 HZ1 LYS 34 3HZ LYS 34 8.085 0.864 -11.642 288 HZ2 LYS 34 1HZ LYS 34 7.889 2.334 -10.829 289 HZ3 LYS 34 2HZ LYS 34 6.671 1.766 -11.855 290 H GLU 35 H GLU 35 5.771 -4.581 -8.471 291 HA GLU 35 HA GLU 35 2.977 -4.823 -8.903 292 HB2 GLU 35 2HB GLU 35 3.465 -6.885 -10.084 293 HB3 GLU 35 3HB GLU 35 4.627 -5.651 -10.522 294 HG2 GLU 35 2HG GLU 35 6.088 -7.389 -10.308 295 HG3 GLU 35 3HG GLU 35 6.078 -6.881 -8.622 296 H LYS 36 H LYS 36 5.108 -6.139 -6.443 297 HA LYS 36 HA LYS 36 3.368 -8.082 -5.346 298 HB2 LYS 36 2HB LYS 36 5.556 -6.441 -3.995 299 HB3 LYS 36 3HB LYS 36 4.752 -7.830 -3.254 300 HG2 LYS 36 2HG LYS 36 5.589 -9.304 -4.999 301 HG3 LYS 36 3HG LYS 36 6.299 -7.936 -5.856 302 HD2 LYS 36 2HD LYS 36 7.801 -7.561 -3.857 303 HD3 LYS 36 3HD LYS 36 7.156 -9.056 -3.162 304 HE2 LYS 36 2HE LYS 36 8.684 -8.778 -5.773 305 HE3 LYS 36 3HE LYS 36 9.263 -9.528 -4.288 306 HZ1 LYS 36 3HZ LYS 36 8.596 -11.231 -5.783 307 HZ2 LYS 36 1HZ LYS 36 7.093 -10.508 -6.053 308 HZ3 LYS 36 2HZ LYS 36 7.447 -11.179 -4.544 309 H LEU 37 H LEU 37 3.791 -4.628 -4.652 310 HA LEU 37 HA LEU 37 1.841 -4.327 -2.656 311 HB2 LEU 37 2HB LEU 37 2.796 -2.358 -4.766 312 HB3 LEU 37 3HB LEU 37 1.790 -1.908 -3.396 313 HG LEU 37 HG LEU 37 4.552 -3.150 -3.089 314 HD11 LEU 37 1HD1 LEU 37 5.386 -0.904 -2.607 315 HD12 LEU 37 2HD1 LEU 37 3.816 -0.220 -3.035 316 HD13 LEU 37 3HD1 LEU 37 4.787 -1.039 -4.260 317 HD21 LEU 37 3HD2 LEU 37 2.778 -1.705 -1.087 318 HD22 LEU 37 1HD2 LEU 37 4.414 -2.300 -0.785 319 HD23 LEU 37 2HD2 LEU 37 3.115 -3.438 -1.127 320 H LYS 38 H LYS 38 1.541 -4.076 -6.247 321 HA LYS 38 HA LYS 38 -1.205 -3.486 -6.374 322 HB2 LYS 38 2HB LYS 38 0.491 -5.032 -8.385 323 HB3 LYS 38 3HB LYS 38 -1.088 -4.323 -8.718 324 HG2 LYS 38 2HG LYS 38 -0.135 -2.063 -8.219 325 HG3 LYS 38 3HG LYS 38 1.446 -2.816 -7.997 326 HD2 LYS 38 2HD LYS 38 1.322 -1.859 -10.232 327 HD3 LYS 38 3HD LYS 38 1.371 -3.618 -10.359 328 HE2 LYS 38 2HE LYS 38 -1.114 -3.620 -10.660 329 HE3 LYS 38 3HE LYS 38 -1.090 -1.856 -10.618 330 HZ1 LYS 38 3HZ LYS 38 0.252 -1.835 -12.596 331 HZ2 LYS 38 1HZ LYS 38 -1.134 -2.752 -12.886 332 HZ3 LYS 38 2HZ LYS 38 0.354 -3.517 -12.622 333 H LYS 39 H LYS 39 0.473 -6.624 -6.205 334 HA LYS 39 HA LYS 39 -1.727 -8.351 -6.521 335 HB2 LYS 39 2HB LYS 39 0.830 -8.793 -4.910 336 HB3 LYS 39 3HB LYS 39 -0.327 -10.062 -5.290 337 HG2 LYS 39 2HG LYS 39 1.231 -8.486 -7.354 338 HG3 LYS 39 3HG LYS 39 1.711 -10.062 -6.734 339 HD2 LYS 39 2HD LYS 39 -0.283 -11.095 -7.702 340 HD3 LYS 39 3HD LYS 39 -0.901 -9.518 -8.204 341 HE2 LYS 39 2HE LYS 39 0.087 -10.741 -10.101 342 HE3 LYS 39 3HE LYS 39 0.984 -9.263 -9.767 343 HZ1 LYS 39 3HZ LYS 39 2.404 -11.186 -10.232 344 HZ2 LYS 39 1HZ LYS 39 1.801 -11.971 -8.865 345 HZ3 LYS 39 2HZ LYS 39 2.690 -10.541 -8.700 346 H VAL 40 H VAL 40 -0.171 -7.167 -3.546 347 HA VAL 40 HA VAL 40 -1.805 -8.374 -1.637 348 HB VAL 40 HB VAL 40 -0.063 -5.873 -1.518 349 HG11 VAL 40 1HG1 VAL 40 -1.771 -5.596 0.219 350 HG12 VAL 40 2HG1 VAL 40 -0.208 -5.961 0.952 351 HG13 VAL 40 3HG1 VAL 40 -1.442 -7.219 0.832 352 HG21 VAL 40 3HG2 VAL 40 0.353 -8.688 -0.435 353 HG22 VAL 40 1HG2 VAL 40 1.491 -7.343 -0.259 354 HG23 VAL 40 2HG2 VAL 40 1.132 -7.997 -1.858 355 H LEU 41 H LEU 41 -2.017 -5.090 -2.999 356 HA LEU 41 HA LEU 41 -4.124 -4.183 -1.342 357 HB2 LEU 41 2HB LEU 41 -2.975 -3.147 -3.958 358 HB3 LEU 41 3HB LEU 41 -4.257 -2.300 -3.103 359 HG LEU 41 HG LEU 41 -1.559 -2.918 -1.829 360 HD11 LEU 41 1HD1 LEU 41 -2.399 -0.349 -3.201 361 HD12 LEU 41 2HD1 LEU 41 -1.177 -1.489 -3.769 362 HD13 LEU 41 3HD1 LEU 41 -0.917 -0.600 -2.272 363 HD21 LEU 41 3HD2 LEU 41 -3.377 -2.518 -0.238 364 HD22 LEU 41 1HD2 LEU 41 -3.757 -0.982 -1.028 365 HD23 LEU 41 2HD2 LEU 41 -2.209 -1.203 -0.207 366 H ASN 42 H ASN 42 -4.104 -5.328 -4.760 367 HA ASN 42 HA ASN 42 -6.838 -4.971 -5.292 368 HB2 ASN 42 2HB ASN 42 -4.907 -5.399 -6.943 369 HB3 ASN 42 3HB ASN 42 -5.071 -7.106 -6.571 370 HD21 ASN 42 1HD2 ASN 42 -5.456 -5.535 -9.075 371 HD22 ASN 42 2HD2 ASN 42 -7.030 -5.981 -9.638 372 H GLU 43 H GLU 43 -5.088 -7.882 -4.118 373 HA GLU 43 HA GLU 43 -7.269 -9.654 -3.898 374 HB2 GLU 43 2HB GLU 43 -4.614 -9.509 -2.440 375 HB3 GLU 43 3HB GLU 43 -5.768 -10.788 -2.095 376 HG2 GLU 43 2HG GLU 43 -4.771 -10.298 -4.909 377 HG3 GLU 43 3HG GLU 43 -3.839 -11.249 -3.761 378 H ARG 44 H ARG 44 -5.909 -7.394 -1.526 379 HA ARG 44 HA ARG 44 -7.535 -8.126 0.669 380 HB2 ARG 44 2HB ARG 44 -5.341 -6.909 0.801 381 HB3 ARG 44 3HB ARG 44 -6.123 -5.470 0.156 382 HG2 ARG 44 2HG ARG 44 -5.802 -5.386 2.612 383 HG3 ARG 44 3HG ARG 44 -7.501 -5.267 2.149 384 HD2 ARG 44 2HD ARG 44 -7.045 -6.748 4.138 385 HD3 ARG 44 3HD ARG 44 -7.924 -7.544 2.828 386 HE ARG 44 HE ARG 44 -5.110 -7.940 2.584 387 HH11 ARG 44 1HH1 ARG 44 -7.862 -9.110 4.472 388 HH12 ARG 44 2HH1 ARG 44 -7.118 -10.644 4.791 389 HH21 ARG 44 1HH2 ARG 44 -4.189 -9.943 2.994 390 HH22 ARG 44 2HH2 ARG 44 -5.034 -11.120 3.953 391 H MET 45 H MET 45 -8.081 -6.032 -2.065 392 HA MET 45 HA MET 45 -10.467 -4.818 -0.937 393 HB2 MET 45 2HB MET 45 -9.292 -4.615 -3.732 394 HB3 MET 45 3HB MET 45 -10.745 -3.774 -3.210 395 HG2 MET 45 2HG MET 45 -9.268 -2.728 -1.371 396 HG3 MET 45 3HG MET 45 -7.902 -3.311 -2.319 397 HE1 MET 45 3HE MET 45 -10.878 -0.772 -2.090 398 HE2 MET 45 1HE MET 45 -11.433 -1.799 -3.416 399 HE3 MET 45 2HE MET 45 -10.952 -0.131 -3.733 400 H ASP 46 H ASP 46 -9.885 -7.823 -2.568 401 HA ASP 46 HA ASP 46 -12.277 -8.039 -4.058 402 HB2 ASP 46 2HB ASP 46 -10.329 -10.099 -3.033 403 HB3 ASP 46 3HB ASP 46 -11.884 -10.669 -3.635 404 HA PRO 47 HA PRO 47 -14.532 -9.808 0.014 405 HB2 PRO 47 2HB PRO 47 -13.505 -8.471 2.291 406 HB3 PRO 47 3HB PRO 47 -13.225 -10.176 1.889 407 HG2 PRO 47 2HG PRO 47 -11.461 -7.810 1.352 408 HG3 PRO 47 3HG PRO 47 -11.024 -9.440 1.917 409 HD2 PRO 47 2HD PRO 47 -10.623 -8.780 -0.632 410 HD3 PRO 47 3HD PRO 47 -11.251 -10.393 -0.227 411 H ILE 48 H ILE 48 -12.995 -6.670 -0.375 412 HA ILE 48 HA ILE 48 -15.048 -5.059 0.842 413 HB ILE 48 HB ILE 48 -12.607 -4.394 -0.861 414 HG12 ILE 48 2HG1 ILE 48 -12.090 -5.439 1.346 415 HG13 ILE 48 3HG1 ILE 48 -11.484 -3.794 1.228 416 HG21 ILE 48 1HG2 ILE 48 -14.165 -2.553 -1.088 417 HG22 ILE 48 2HG2 ILE 48 -12.783 -2.066 -0.108 418 HG23 ILE 48 3HG2 ILE 48 -14.326 -2.432 0.666 419 HD11 ILE 48 3HD1 ILE 48 -12.393 -4.233 3.412 420 HD12 ILE 48 1HD1 ILE 48 -13.954 -4.671 2.720 421 HD13 ILE 48 2HD1 ILE 48 -13.363 -3.010 2.595 422 H LYS 49 H LYS 49 -14.327 -6.225 -2.395 423 HA LYS 49 HA LYS 49 -16.012 -4.391 -3.838 424 HB2 LYS 49 2HB LYS 49 -14.804 -7.050 -4.698 425 HB3 LYS 49 3HB LYS 49 -15.612 -5.912 -5.773 426 HG2 LYS 49 2HG LYS 49 -13.871 -4.339 -5.622 427 HG3 LYS 49 3HG LYS 49 -13.179 -5.086 -4.191 428 HD2 LYS 49 2HD LYS 49 -12.582 -7.092 -5.611 429 HD3 LYS 49 3HD LYS 49 -13.137 -6.200 -7.030 430 HE2 LYS 49 2HE LYS 49 -11.398 -4.564 -6.774 431 HE3 LYS 49 3HE LYS 49 -10.962 -5.181 -5.179 432 HZ1 LYS 49 3HZ LYS 49 -9.395 -5.908 -6.842 433 HZ2 LYS 49 1HZ LYS 49 -10.623 -6.630 -7.749 434 HZ3 LYS 49 2HZ LYS 49 -10.229 -7.237 -6.222 435 H LYS 50 H LYS 50 -16.229 -7.721 -2.665 436 HA LYS 50 HA LYS 50 -18.904 -8.213 -3.445 437 HB2 LYS 50 2HB LYS 50 -17.351 -10.010 -2.958 438 HB3 LYS 50 3HB LYS 50 -17.134 -9.446 -1.306 439 HG2 LYS 50 2HG LYS 50 -19.382 -10.098 -0.715 440 HG3 LYS 50 3HG LYS 50 -19.783 -10.433 -2.396 441 HD2 LYS 50 2HD LYS 50 -19.448 -12.490 -1.111 442 HD3 LYS 50 3HD LYS 50 -18.273 -12.356 -2.414 443 HE2 LYS 50 2HE LYS 50 -17.620 -11.584 0.447 444 HE3 LYS 50 3HE LYS 50 -17.432 -13.229 -0.146 445 HZ1 LYS 50 3HZ LYS 50 -15.855 -12.435 -1.790 446 HZ2 LYS 50 1HZ LYS 50 -15.364 -12.006 -0.234 447 HZ3 LYS 50 2HZ LYS 50 -16.040 -10.844 -1.246 448 H LEU 51 H LEU 51 -17.502 -6.512 -0.711 449 HA LEU 51 HA LEU 51 -19.940 -6.338 0.821 450 HB2 LEU 51 2HB LEU 51 -17.450 -4.564 0.881 451 HB3 LEU 51 3HB LEU 51 -18.798 -4.397 1.989 452 HG LEU 51 HG LEU 51 -16.855 -6.730 1.837 453 HD11 LEU 51 1HD1 LEU 51 -15.947 -4.737 2.936 454 HD12 LEU 51 2HD1 LEU 51 -16.187 -6.045 4.090 455 HD13 LEU 51 3HD1 LEU 51 -17.328 -4.695 4.039 456 HD21 LEU 51 3HD2 LEU 51 -19.072 -7.615 2.319 457 HD22 LEU 51 1HD2 LEU 51 -19.289 -6.443 3.623 458 HD23 LEU 51 2HD2 LEU 51 -18.053 -7.698 3.753 459 H GLY 52 H GLY 52 -18.418 -4.537 -1.792 460 HA2 GLY 52 2HA GLY 52 -19.403 -3.198 -3.400 461 HA3 GLY 52 3HA GLY 52 -20.910 -3.215 -2.495 462 H CYS 53 H CYS 53 -17.704 -2.310 -1.350 463 HA CYS 53 HA CYS 53 -18.604 0.123 -0.138 464 HB2 CYS 53 2HB CYS 53 -15.746 -0.805 -0.629 465 HB3 CYS 53 3HB CYS 53 -16.297 0.350 0.586 466 H LYS 54 H LYS 54 -18.925 1.998 -1.215 467 HA LYS 54 HA LYS 54 -18.054 2.526 -3.865 468 HB2 LYS 54 2HB LYS 54 -20.080 3.576 -2.897 469 HB3 LYS 54 3HB LYS 54 -19.087 4.462 -1.747 470 HG2 LYS 54 2HG LYS 54 -19.805 5.919 -3.576 471 HG3 LYS 54 3HG LYS 54 -18.053 5.730 -3.583 472 HD2 LYS 54 2HD LYS 54 -18.818 5.662 -5.858 473 HD3 LYS 54 3HD LYS 54 -18.306 4.033 -5.426 474 HE2 LYS 54 2HE LYS 54 -21.215 4.905 -5.314 475 HE3 LYS 54 3HE LYS 54 -20.477 4.263 -6.776 476 HZ1 LYS 54 3HZ LYS 54 -20.817 2.829 -4.189 477 HZ2 LYS 54 1HZ LYS 54 -19.939 2.220 -5.503 478 HZ3 LYS 54 2HZ LYS 54 -21.595 2.502 -5.650 479 H ARG 55 H ARG 55 -17.064 3.954 -0.752 480 HA ARG 55 HA ARG 55 -14.388 4.588 -1.871 481 HB2 ARG 55 2HB ARG 55 -15.567 6.684 -1.514 482 HB3 ARG 55 3HB ARG 55 -16.087 6.196 0.096 483 HG2 ARG 55 2HG ARG 55 -13.783 6.337 0.919 484 HG3 ARG 55 3HG ARG 55 -13.191 6.697 -0.703 485 HD2 ARG 55 2HD ARG 55 -15.146 8.462 0.806 486 HD3 ARG 55 3HD ARG 55 -13.397 8.687 0.835 487 HE ARG 55 HE ARG 55 -14.810 8.694 -1.746 488 HH11 ARG 55 1HH1 ARG 55 -12.978 10.508 0.668 489 HH12 ARG 55 2HH1 ARG 55 -12.697 11.857 -0.387 490 HH21 ARG 55 1HH2 ARG 55 -14.410 10.436 -3.128 491 HH22 ARG 55 2HH2 ARG 55 -13.517 11.811 -2.556 492 H VAL 56 H VAL 56 -12.660 4.151 -0.559 493 HA VAL 56 HA VAL 56 -13.095 2.698 1.987 494 HB VAL 56 HB VAL 56 -11.206 1.200 1.436 495 HG11 VAL 56 1HG1 VAL 56 -13.367 1.158 -0.697 496 HG12 VAL 56 2HG1 VAL 56 -13.459 0.426 0.906 497 HG13 VAL 56 3HG1 VAL 56 -12.308 -0.195 -0.278 498 HG21 VAL 56 3HG2 VAL 56 -9.920 2.647 -0.086 499 HG22 VAL 56 1HG2 VAL 56 -11.174 2.497 -1.319 500 HG23 VAL 56 2HG2 VAL 56 -10.233 1.082 -0.836 501 H ARG 57 H ARG 57 -11.618 3.176 3.618 502 HA ARG 57 HA ARG 57 -9.576 5.251 3.074 503 HB2 ARG 57 2HB ARG 57 -11.294 5.927 4.721 504 HB3 ARG 57 3HB ARG 57 -10.930 4.516 5.709 505 HG2 ARG 57 2HG ARG 57 -8.724 5.378 6.245 506 HG3 ARG 57 3HG ARG 57 -8.902 6.693 5.078 507 HD2 ARG 57 2HD ARG 57 -10.545 6.326 7.608 508 HD3 ARG 57 3HD ARG 57 -9.241 7.497 7.385 509 HE ARG 57 HE ARG 57 -10.775 8.241 5.415 510 HH11 ARG 57 1HH1 ARG 57 -11.892 7.340 8.621 511 HH12 ARG 57 2HH1 ARG 57 -13.293 8.361 8.539 512 HH21 ARG 57 1HH2 ARG 57 -12.588 9.546 5.302 513 HH22 ARG 57 2HH2 ARG 57 -13.689 9.621 6.642 514 H ILE 58 H ILE 58 -7.708 4.299 2.736 515 HA ILE 58 HA ILE 58 -6.908 1.887 4.234 516 HB ILE 58 HB ILE 58 -5.646 2.996 1.673 517 HG12 ILE 58 2HG1 ILE 58 -7.669 0.720 1.966 518 HG13 ILE 58 3HG1 ILE 58 -7.982 2.282 1.221 519 HG21 ILE 58 1HG2 ILE 58 -4.542 0.789 1.527 520 HG22 ILE 58 2HG2 ILE 58 -5.303 0.299 3.041 521 HG23 ILE 58 3HG2 ILE 58 -4.120 1.609 3.033 522 HD11 ILE 58 3HD1 ILE 58 -7.678 0.572 -0.449 523 HD12 ILE 58 1HD1 ILE 58 -6.080 0.179 0.186 524 HD13 ILE 58 2HD1 ILE 58 -6.378 1.758 -0.550 525 H SER 59 H SER 59 -5.242 2.053 5.640 526 HA SER 59 HA SER 59 -3.346 4.320 5.512 527 HB2 SER 59 2HB SER 59 -4.500 3.060 8.053 528 HB3 SER 59 3HB SER 59 -3.278 4.338 7.994 529 HG SER 59 HG SER 59 -5.117 5.353 6.587 530 H ILE 60 H ILE 60 -1.567 3.369 4.764 531 HA ILE 60 HA ILE 60 -0.861 0.615 5.504 532 HB ILE 60 HB ILE 60 0.228 2.428 3.309 533 HG12 ILE 60 2HG1 ILE 60 -1.576 -0.025 3.111 534 HG13 ILE 60 3HG1 ILE 60 -2.107 1.642 2.929 535 HG21 ILE 60 1HG2 ILE 60 0.894 -0.478 3.872 536 HG22 ILE 60 2HG2 ILE 60 1.985 0.897 4.066 537 HG23 ILE 60 3HG2 ILE 60 1.423 0.438 2.458 538 HD11 ILE 60 3HD1 ILE 60 -0.223 0.160 1.099 539 HD12 ILE 60 1HD1 ILE 60 -0.691 1.857 0.932 540 HD13 ILE 60 2HD1 ILE 60 -1.905 0.588 0.788 541 H ARG 61 H ARG 61 0.602 0.308 7.067 542 HA ARG 61 HA ARG 61 2.650 2.341 7.678 543 HB2 ARG 61 2HB ARG 61 1.357 0.147 9.345 544 HB3 ARG 61 3HB ARG 61 2.970 0.711 9.753 545 HG2 ARG 61 2HG ARG 61 1.431 1.875 11.157 546 HG3 ARG 61 3HG ARG 61 2.057 3.032 9.987 547 HD2 ARG 61 2HD ARG 61 -0.057 2.858 8.696 548 HD3 ARG 61 3HD ARG 61 -0.676 1.684 9.863 549 HE ARG 61 HE ARG 61 -0.255 4.568 10.303 550 HH11 ARG 61 1HH1 ARG 61 -1.417 1.505 11.595 551 HH12 ARG 61 2HH1 ARG 61 -2.258 2.249 12.917 552 HH21 ARG 61 1HH2 ARG 61 -1.349 5.524 12.050 553 HH22 ARG 61 2HH2 ARG 61 -2.221 4.528 13.173 554 H VAL 62 H VAL 62 4.326 1.920 6.355 555 HA VAL 62 HA VAL 62 5.061 -0.848 5.662 556 HB VAL 62 HB VAL 62 4.763 1.003 3.882 557 HG11 VAL 62 1HG1 VAL 62 7.485 1.935 4.853 558 HG12 VAL 62 2HG1 VAL 62 5.973 2.834 5.021 559 HG13 VAL 62 3HG1 VAL 62 6.631 2.510 3.415 560 HG21 VAL 62 3HG2 VAL 62 6.623 0.196 2.491 561 HG22 VAL 62 1HG2 VAL 62 5.828 -1.120 3.358 562 HG23 VAL 62 2HG2 VAL 62 7.384 -0.504 3.920 563 H LYS 63 H LYS 63 7.174 -1.666 6.146 564 HA LYS 63 HA LYS 63 8.490 -0.435 8.417 565 HB2 LYS 63 2HB LYS 63 9.016 -3.005 6.888 566 HB3 LYS 63 3HB LYS 63 10.053 -2.467 8.207 567 HG2 LYS 63 2HG LYS 63 7.076 -3.006 8.469 568 HG3 LYS 63 3HG LYS 63 8.339 -4.171 8.862 569 HD2 LYS 63 2HD LYS 63 7.979 -1.467 10.200 570 HD3 LYS 63 3HD LYS 63 7.423 -3.009 10.854 571 HE2 LYS 63 2HE LYS 63 10.317 -2.243 10.327 572 HE3 LYS 63 3HE LYS 63 9.527 -2.324 11.898 573 HZ1 LYS 63 3HZ LYS 63 9.993 -4.617 10.073 574 HZ2 LYS 63 1HZ LYS 63 9.184 -4.691 11.552 575 HZ3 LYS 63 2HZ LYS 63 10.822 -4.292 11.513 576 H HIS 64 H HIS 64 9.803 1.205 8.094 577 HA HIS 64 HA HIS 64 11.282 1.639 5.629 578 HB2 HIS 64 2HB HIS 64 11.346 3.241 8.233 579 HB3 HIS 64 3HB HIS 64 11.958 3.763 6.667 580 HD1 HIS 64 HD1 HIS 64 10.261 4.761 5.021 581 HD2 HIS 64 HD2 HIS 64 8.475 3.227 8.441 582 HE1 HIS 64 HE1 HIS 64 7.913 5.648 5.008 583 HE2 HIS 64 HE2 HIS 64 6.912 4.848 7.179 584 H SER 65 H SER 65 13.150 0.654 5.326 585 HA SER 65 HA SER 65 14.184 -1.441 6.347 586 HB2 SER 65 2HB SER 65 15.140 -0.377 4.375 587 HB3 SER 65 3HB SER 65 15.953 0.821 5.370 588 HG SER 65 HG SER 65 17.159 -0.931 6.296 589 H ASP 66 H ASP 66 15.952 1.470 7.425 590 HA ASP 66 HA ASP 66 16.046 0.481 10.192 591 HB2 ASP 66 2HB ASP 66 18.491 1.464 8.630 592 HB3 ASP 66 3HB ASP 66 18.466 1.191 10.370 593 H ALA 67 H ALA 67 17.074 2.414 11.563 594 HA ALA 67 HA ALA 67 15.099 4.437 11.436 595 HB1 ALA 67 3HB ALA 67 16.053 3.653 13.564 596 HB2 ALA 67 1HB ALA 67 16.218 5.402 13.405 597 HB3 ALA 67 2HB ALA 67 17.616 4.358 13.139 598 H ALA 68 H ALA 68 18.561 4.458 10.642 599 HA ALA 68 HA ALA 68 18.671 7.226 9.859 600 HB1 ALA 68 3HB ALA 68 20.680 6.019 10.620 601 HB2 ALA 68 1HB ALA 68 20.916 6.652 8.994 602 HB3 ALA 68 2HB ALA 68 20.584 4.933 9.231 603 H GLU 69 H GLU 69 17.821 4.240 8.246 604 HA GLU 69 HA GLU 69 18.111 5.192 5.558 605 HB2 GLU 69 2HB GLU 69 16.508 2.825 6.617 606 HB3 GLU 69 3HB GLU 69 16.875 3.129 4.923 607 HG2 GLU 69 2HG GLU 69 18.923 2.561 7.082 608 HG3 GLU 69 3HG GLU 69 18.301 1.381 5.932 609 H GLU 70 H GLU 70 15.598 5.499 7.982 610 HA GLU 70 HA GLU 70 13.238 5.173 6.632 611 HB2 GLU 70 2HB GLU 70 13.767 7.195 8.843 612 HB3 GLU 70 3HB GLU 70 12.165 6.726 8.288 613 HG2 GLU 70 2HG GLU 70 12.738 4.353 8.938 614 HG3 GLU 70 3HG GLU 70 14.201 4.983 9.683 615 H LYS 71 H LYS 71 15.166 8.148 6.611 616 HA LYS 71 HA LYS 71 13.213 9.870 5.479 617 HB2 LYS 71 2HB LYS 71 16.247 10.107 5.359 618 HB3 LYS 71 3HB LYS 71 15.103 11.410 5.050 619 HG2 LYS 71 2HG LYS 71 14.384 11.388 7.386 620 HG3 LYS 71 3HG LYS 71 15.425 9.995 7.720 621 HD2 LYS 71 2HD LYS 71 17.425 11.348 7.167 622 HD3 LYS 71 3HD LYS 71 16.395 12.735 6.804 623 HE2 LYS 71 2HE LYS 71 17.427 12.942 9.018 624 HE3 LYS 71 3HE LYS 71 15.674 12.816 9.161 625 HZ1 LYS 71 3HZ LYS 71 16.790 11.474 10.806 626 HZ2 LYS 71 1HZ LYS 71 17.631 10.628 9.611 627 HZ3 LYS 71 2HZ LYS 71 15.951 10.475 9.734 628 H LYS 72 H LYS 72 16.092 8.367 3.980 629 HA LYS 72 HA LYS 72 15.526 9.097 1.301 630 HB2 LYS 72 2HB LYS 72 17.809 8.603 2.053 631 HB3 LYS 72 3HB LYS 72 17.349 6.963 2.487 632 HG2 LYS 72 2HG LYS 72 18.647 6.947 0.436 633 HG3 LYS 72 3HG LYS 72 16.995 6.426 0.097 634 HD2 LYS 72 2HD LYS 72 16.486 8.724 -0.756 635 HD3 LYS 72 3HD LYS 72 18.169 9.180 -0.469 636 HE2 LYS 72 2HE LYS 72 18.943 7.574 -2.126 637 HE3 LYS 72 3HE LYS 72 17.311 6.924 -2.317 638 HZ1 LYS 72 3HZ LYS 72 16.610 9.102 -3.167 639 HZ2 LYS 72 1HZ LYS 72 17.831 8.416 -4.118 640 HZ3 LYS 72 2HZ LYS 72 18.198 9.664 -3.042 641 H GLU 73 H GLU 73 14.773 6.267 3.235 642 HA GLU 73 HA GLU 73 13.926 4.462 1.231 643 HB2 GLU 73 2HB GLU 73 14.552 3.974 3.688 644 HB3 GLU 73 3HB GLU 73 12.949 4.529 4.132 645 HG2 GLU 73 2HG GLU 73 13.553 2.172 2.320 646 HG3 GLU 73 3HG GLU 73 13.175 2.044 4.030 647 H ALA 74 H ALA 74 12.179 6.758 3.323 648 HA ALA 74 HA ALA 74 9.552 6.118 2.439 649 HB1 ALA 74 3HB ALA 74 10.007 7.236 4.590 650 HB2 ALA 74 1HB ALA 74 8.848 8.139 3.616 651 HB3 ALA 74 2HB ALA 74 10.523 8.692 3.730 652 H LYS 75 H LYS 75 11.853 8.648 1.437 653 HA LYS 75 HA LYS 75 10.274 9.978 -0.470 654 HB2 LYS 75 2HB LYS 75 12.404 10.896 0.366 655 HB3 LYS 75 3HB LYS 75 13.302 9.590 -0.404 656 HG2 LYS 75 2HG LYS 75 12.612 10.419 -2.628 657 HG3 LYS 75 3HG LYS 75 11.686 11.715 -1.864 658 HD2 LYS 75 2HD LYS 75 13.748 12.690 -0.954 659 HD3 LYS 75 3HD LYS 75 14.700 11.355 -1.618 660 HE2 LYS 75 2HE LYS 75 14.863 13.396 -3.015 661 HE3 LYS 75 3HE LYS 75 14.131 12.058 -3.901 662 HZ1 LYS 75 3HZ LYS 75 11.959 13.019 -3.534 663 HZ2 LYS 75 1HZ LYS 75 12.969 14.167 -4.255 664 HZ3 LYS 75 2HZ LYS 75 12.615 14.269 -2.604 665 H LYS 76 H LYS 76 12.430 7.175 -0.810 666 HA LYS 76 HA LYS 76 12.162 6.753 -3.603 667 HB2 LYS 76 2HB LYS 76 14.064 5.836 -2.469 668 HB3 LYS 76 3HB LYS 76 13.071 4.998 -1.296 669 HG2 LYS 76 2HG LYS 76 12.778 4.161 -4.167 670 HG3 LYS 76 3HG LYS 76 14.294 3.751 -3.368 671 HD2 LYS 76 2HD LYS 76 11.503 2.937 -2.440 672 HD3 LYS 76 3HD LYS 76 12.691 1.886 -3.216 673 HE2 LYS 76 2HE LYS 76 14.209 2.170 -1.289 674 HE3 LYS 76 3HE LYS 76 13.037 3.240 -0.515 675 HZ1 LYS 76 3HZ LYS 76 12.502 0.395 -1.208 676 HZ2 LYS 76 1HZ LYS 76 11.499 1.429 -0.318 677 HZ3 LYS 76 2HZ LYS 76 12.984 0.934 0.321 678 H PHE 77 H PHE 77 10.452 5.492 -0.782 679 HA PHE 77 HA PHE 77 8.915 3.572 -2.270 680 HB2 PHE 77 2HB PHE 77 9.720 3.460 0.256 681 HB3 PHE 77 3HB PHE 77 8.238 4.351 0.587 682 HD1 PHE 77 HD1 PHE 77 9.585 1.198 -0.894 683 HD2 PHE 77 HD2 PHE 77 6.114 3.196 0.613 684 HE1 PHE 77 HE1 PHE 77 8.324 -0.912 -0.988 685 HE2 PHE 77 HE2 PHE 77 4.866 1.081 0.517 686 HZ PHE 77 HZ PHE 77 5.961 -0.972 -0.286 687 H ALA 78 H ALA 78 8.563 6.874 -1.360 688 HA ALA 78 HA ALA 78 5.775 7.229 -1.742 689 HB1 ALA 78 3HB ALA 78 8.046 9.192 -2.229 690 HB2 ALA 78 1HB ALA 78 7.189 8.952 -0.706 691 HB3 ALA 78 2HB ALA 78 6.332 9.608 -2.102 692 H ALA 79 H ALA 79 8.572 7.348 -3.963 693 HA ALA 79 HA ALA 79 7.128 7.894 -6.347 694 HB1 ALA 79 3HB ALA 79 9.548 8.298 -6.123 695 HB2 ALA 79 1HB ALA 79 9.209 7.247 -7.497 696 HB3 ALA 79 2HB ALA 79 9.840 6.562 -5.995 697 H ILE 80 H ILE 80 8.197 4.891 -4.793 698 HA ILE 80 HA ILE 80 7.437 2.973 -6.677 699 HB ILE 80 HB ILE 80 7.609 2.849 -3.637 700 HG12 ILE 80 2HG1 ILE 80 9.759 3.290 -4.664 701 HG13 ILE 80 3HG1 ILE 80 9.771 1.626 -4.103 702 HG21 ILE 80 1HG2 ILE 80 7.656 0.396 -3.750 703 HG22 ILE 80 2HG2 ILE 80 7.314 0.464 -5.478 704 HG23 ILE 80 3HG2 ILE 80 6.115 1.040 -4.323 705 HD11 ILE 80 3HD1 ILE 80 10.843 1.816 -6.249 706 HD12 ILE 80 1HD1 ILE 80 9.406 2.553 -6.954 707 HD13 ILE 80 2HD1 ILE 80 9.365 0.870 -6.416 708 H LEU 81 H LEU 81 5.591 4.202 -3.882 709 HA LEU 81 HA LEU 81 3.209 2.749 -4.419 710 HB2 LEU 81 2HB LEU 81 3.896 5.064 -2.592 711 HB3 LEU 81 3HB LEU 81 2.243 4.496 -2.728 712 HG LEU 81 HG LEU 81 4.598 2.820 -1.780 713 HD11 LEU 81 1HD1 LEU 81 2.297 4.024 -0.217 714 HD12 LEU 81 2HD1 LEU 81 3.985 4.538 -0.165 715 HD13 LEU 81 3HD1 LEU 81 3.536 2.941 0.425 716 HD21 LEU 81 3HD2 LEU 81 1.647 2.108 -1.915 717 HD22 LEU 81 1HD2 LEU 81 2.915 1.129 -1.172 718 HD23 LEU 81 2HD2 LEU 81 2.936 1.422 -2.909 719 H ASN 82 H ASN 82 4.348 5.947 -5.361 720 HA ASN 82 HA ASN 82 1.923 7.186 -6.100 721 HB2 ASN 82 2HB ASN 82 4.144 8.354 -5.894 722 HB3 ASN 82 3HB ASN 82 4.671 7.578 -7.385 723 HD21 ASN 82 1HD2 ASN 82 4.954 9.496 -8.516 724 HD22 ASN 82 2HD2 ASN 82 3.648 10.537 -8.964 725 H LYS 83 H LYS 83 4.123 5.084 -7.852 726 HA LYS 83 HA LYS 83 2.772 5.058 -10.358 727 HB2 LYS 83 2HB LYS 83 4.827 3.228 -9.071 728 HB3 LYS 83 3HB LYS 83 4.218 2.948 -10.697 729 HG2 LYS 83 2HG LYS 83 5.662 5.468 -9.798 730 HG3 LYS 83 3HG LYS 83 6.409 4.118 -10.661 731 HD2 LYS 83 2HD LYS 83 4.821 4.503 -12.560 732 HD3 LYS 83 3HD LYS 83 4.180 5.909 -11.706 733 HE2 LYS 83 2HE LYS 83 7.065 5.595 -12.605 734 HE3 LYS 83 3HE LYS 83 5.826 6.500 -13.472 735 HZ1 LYS 83 3HZ LYS 83 6.811 7.101 -10.742 736 HZ2 LYS 83 1HZ LYS 83 5.618 7.967 -11.572 737 HZ3 LYS 83 2HZ LYS 83 7.202 7.948 -12.152 738 H VAL 84 H VAL 84 2.666 2.929 -7.494 739 HA VAL 84 HA VAL 84 1.247 0.754 -8.644 740 HB VAL 84 HB VAL 84 1.658 1.629 -5.745 741 HG11 VAL 84 1HG1 VAL 84 -0.410 0.316 -5.781 742 HG12 VAL 84 2HG1 VAL 84 0.883 -0.616 -5.024 743 HG13 VAL 84 3HG1 VAL 84 0.394 -0.972 -6.681 744 HG21 VAL 84 3HG2 VAL 84 3.283 -0.229 -5.670 745 HG22 VAL 84 1HG2 VAL 84 3.689 0.920 -6.949 746 HG23 VAL 84 2HG2 VAL 84 2.924 -0.618 -7.354 747 H PHE 85 H PHE 85 0.194 3.337 -6.463 748 HA PHE 85 HA PHE 85 -2.547 2.775 -6.376 749 HB2 PHE 85 2HB PHE 85 -1.076 5.408 -5.949 750 HB3 PHE 85 3HB PHE 85 -2.772 5.167 -5.555 751 HD1 PHE 85 HD1 PHE 85 -2.668 2.387 -4.379 752 HD2 PHE 85 HD2 PHE 85 -0.112 5.774 -3.799 753 HE1 PHE 85 HE1 PHE 85 -2.060 1.558 -2.146 754 HE2 PHE 85 HE2 PHE 85 0.488 4.927 -1.573 755 HZ PHE 85 HZ PHE 85 -0.482 2.824 -0.742 756 H ALA 86 H ALA 86 -0.702 4.748 -8.651 757 HA ALA 86 HA ALA 86 -2.878 5.960 -10.018 758 HB1 ALA 86 3HB ALA 86 -0.068 5.406 -11.016 759 HB2 ALA 86 1HB ALA 86 -0.579 6.831 -10.110 760 HB3 ALA 86 2HB ALA 86 -1.217 6.541 -11.732 761 H GLU 87 H GLU 87 -1.424 2.808 -10.259 762 HA GLU 87 HA GLU 87 -2.639 2.097 -12.826 763 HB2 GLU 87 2HB GLU 87 -0.976 0.507 -10.820 764 HB3 GLU 87 3HB GLU 87 -1.563 -0.149 -12.347 765 HG2 GLU 87 2HG GLU 87 -0.182 1.390 -13.614 766 HG3 GLU 87 3HG GLU 87 0.283 2.255 -12.150 767 H LEU 88 H LEU 88 -3.638 2.274 -9.606 768 HA LEU 88 HA LEU 88 -5.503 -0.035 -9.786 769 HB2 LEU 88 2HB LEU 88 -4.426 1.360 -7.301 770 HB3 LEU 88 3HB LEU 88 -5.594 0.049 -7.301 771 HG LEU 88 HG LEU 88 -2.698 -0.153 -8.213 772 HD11 LEU 88 1HD1 LEU 88 -4.047 -1.340 -5.769 773 HD12 LEU 88 2HD1 LEU 88 -2.928 0.027 -5.784 774 HD13 LEU 88 3HD1 LEU 88 -2.364 -1.571 -6.260 775 HD21 LEU 88 3HD2 LEU 88 -4.801 -2.341 -8.111 776 HD22 LEU 88 1HD2 LEU 88 -3.081 -2.571 -8.446 777 HD23 LEU 88 2HD2 LEU 88 -4.077 -1.645 -9.564 778 H GLY 89 H GLY 89 -5.480 3.233 -10.233 779 HA2 GLY 89 2HA GLY 89 -7.479 4.327 -10.911 780 HA3 GLY 89 3HA GLY 89 -8.394 3.414 -9.727 781 H TYR 90 H TYR 90 -5.785 4.296 -8.033 782 HA TYR 90 HA TYR 90 -7.102 6.556 -6.758 783 HB2 TYR 90 2HB TYR 90 -4.463 5.183 -6.101 784 HB3 TYR 90 3HB TYR 90 -5.275 6.366 -5.087 785 HD1 TYR 90 HD2 TYR 90 -7.932 5.617 -4.685 786 HD2 TYR 90 HD1 TYR 90 -4.615 2.986 -5.302 787 HE1 TYR 90 HE2 TYR 90 -9.126 3.828 -3.499 788 HE2 TYR 90 HE1 TYR 90 -5.809 1.197 -4.110 789 HH TYR 90 HH TYR 90 -9.110 1.356 -3.374 790 H ASN 91 H ASN 91 -6.509 8.642 -6.976 791 HA ASN 91 HA ASN 91 -4.211 9.403 -8.692 792 HB2 ASN 91 2HB ASN 91 -6.934 10.767 -8.408 793 HB3 ASN 91 3HB ASN 91 -5.606 11.358 -9.409 794 HD21 ASN 91 1HD2 ASN 91 -5.109 10.237 -11.352 795 HD22 ASN 91 2HD2 ASN 91 -6.207 9.101 -12.053 796 H ASP 92 H ASP 92 -4.247 12.163 -8.242 797 HA ASP 92 HA ASP 92 -2.674 12.556 -6.030 798 HB2 ASP 92 2HB ASP 92 -4.489 14.637 -7.344 799 HB3 ASP 92 3HB ASP 92 -3.172 15.022 -6.242 800 H SER 93 H SER 93 -6.162 13.233 -6.239 801 HA SER 93 HA SER 93 -6.546 14.310 -3.664 802 HB2 SER 93 2HB SER 93 -8.595 12.922 -5.444 803 HB3 SER 93 3HB SER 93 -8.952 14.041 -4.125 804 HG SER 93 HG SER 93 -7.447 15.482 -5.477 805 H ASN 94 H ASN 94 -6.027 11.060 -4.582 806 HA ASN 94 HA ASN 94 -7.538 9.888 -2.355 807 HB2 ASN 94 2HB ASN 94 -6.100 8.600 -4.730 808 HB3 ASN 94 3HB ASN 94 -6.963 7.702 -3.481 809 HD21 ASN 94 1HD2 ASN 94 -9.218 9.490 -3.216 810 HD22 ASN 94 2HD2 ASN 94 -10.132 9.368 -4.678 811 H VAL 95 H VAL 95 -4.190 10.343 -3.519 812 HA VAL 95 HA VAL 95 -3.094 8.687 -1.346 813 HB VAL 95 HB VAL 95 -1.592 10.213 -3.531 814 HG11 VAL 95 1HG1 VAL 95 -0.653 7.977 -1.695 815 HG12 VAL 95 2HG1 VAL 95 -0.190 9.678 -1.582 816 HG13 VAL 95 3HG1 VAL 95 0.298 8.724 -2.983 817 HG21 VAL 95 3HG2 VAL 95 -3.090 8.554 -4.563 818 HG22 VAL 95 1HG2 VAL 95 -2.421 7.286 -3.531 819 HG23 VAL 95 2HG2 VAL 95 -1.401 8.073 -4.739 820 H THR 96 H THR 96 -2.381 9.576 0.536 821 HA THR 96 HA THR 96 -1.420 12.350 0.659 822 HB THR 96 HB THR 96 -3.576 11.329 2.584 823 HG1 THR 96 HG1 THR 96 -4.409 13.462 1.215 824 HG21 THR 96 3HG2 THR 96 -2.053 12.971 3.626 825 HG22 THR 96 1HG2 THR 96 -3.659 13.669 3.381 826 HG23 THR 96 2HG2 THR 96 -2.338 14.094 2.294 827 H TRP 97 H TRP 97 0.610 12.048 1.502 828 HA TRP 97 HA TRP 97 1.209 9.960 3.438 829 HB2 TRP 97 2HB TRP 97 2.891 12.122 2.107 830 HB3 TRP 97 3HB TRP 97 3.530 11.147 3.427 831 HD1 TRP 97 HD1 TRP 97 2.343 10.762 -0.241 832 HE1 TRP 97 HE1 TRP 97 3.346 8.586 -1.183 833 HE3 TRP 97 HE3 TRP 97 4.447 8.888 4.041 834 HZ2 TRP 97 HZ2 TRP 97 4.835 6.375 -0.246 835 HZ3 TRP 97 HZ3 TRP 97 5.647 6.736 3.931 836 HH2 TRP 97 HH2 TRP 97 5.834 5.505 1.825 837 H ASP 98 H ASP 98 1.726 10.255 5.574 838 HA ASP 98 HA ASP 98 1.420 12.849 6.899 839 HB2 ASP 98 2HB ASP 98 -0.882 11.906 6.821 840 HB3 ASP 98 3HB ASP 98 -0.307 10.404 7.536 841 H GLY 99 H GLY 99 3.537 12.756 7.518 842 HA2 GLY 99 2HA GLY 99 5.317 12.368 8.887 843 HA3 GLY 99 3HA GLY 99 4.269 11.362 9.871 844 H ASP 100 H ASP 100 4.179 9.144 9.479 845 HA ASP 100 HA ASP 100 6.481 7.992 7.991 846 HB2 ASP 100 2HB ASP 100 6.558 7.951 10.545 847 HB3 ASP 100 3HB ASP 100 5.139 6.911 10.523 848 H THR 101 H THR 101 3.096 8.057 8.382 849 HA THR 101 HA THR 101 2.554 5.441 7.124 850 HB THR 101 HB THR 101 0.754 7.425 8.594 851 HG1 THR 101 HG1 THR 101 2.294 6.061 9.797 852 HG21 THR 101 3HG2 THR 101 -0.597 6.260 6.886 853 HG22 THR 101 1HG2 THR 101 -1.021 5.696 8.506 854 HG23 THR 101 2HG2 THR 101 -0.002 4.701 7.462 855 H VAL 102 H VAL 102 1.345 5.314 5.188 856 HA VAL 102 HA VAL 102 0.696 7.849 3.766 857 HB VAL 102 HB VAL 102 2.285 6.556 2.461 858 HG11 VAL 102 1HG1 VAL 102 1.892 4.253 1.696 859 HG12 VAL 102 2HG1 VAL 102 0.426 4.174 2.668 860 HG13 VAL 102 3HG1 VAL 102 1.995 4.347 3.455 861 HG21 VAL 102 3HG2 VAL 102 1.033 6.197 0.349 862 HG22 VAL 102 1HG2 VAL 102 0.539 7.687 1.160 863 HG23 VAL 102 2HG2 VAL 102 -0.489 6.254 1.245 864 H THR 103 H THR 103 -1.400 8.317 3.991 865 HA THR 103 HA THR 103 -3.435 6.217 4.351 866 HB THR 103 HB THR 103 -3.666 9.231 4.819 867 HG1 THR 103 HG1 THR 103 -2.270 7.824 6.273 868 HG21 THR 103 3HG2 THR 103 -5.861 8.185 4.321 869 HG22 THR 103 1HG2 THR 103 -5.761 8.660 6.019 870 HG23 THR 103 2HG2 THR 103 -5.568 6.966 5.566 871 H VAL 104 H VAL 104 -4.278 5.584 2.439 872 HA VAL 104 HA VAL 104 -4.835 7.574 0.322 873 HB VAL 104 HB VAL 104 -4.457 4.544 0.077 874 HG11 VAL 104 1HG1 VAL 104 -4.595 4.886 -2.369 875 HG12 VAL 104 2HG1 VAL 104 -4.981 6.590 -2.114 876 HG13 VAL 104 3HG1 VAL 104 -6.106 5.341 -1.573 877 HG21 VAL 104 3HG2 VAL 104 -2.692 6.842 -0.839 878 HG22 VAL 104 1HG2 VAL 104 -2.407 5.132 -1.169 879 HG23 VAL 104 2HG2 VAL 104 -2.347 5.730 0.489 880 H GLU 105 H GLU 105 -6.901 8.242 0.512 881 HA GLU 105 HA GLU 105 -9.042 6.279 1.109 882 HB2 GLU 105 2HB GLU 105 -8.818 8.222 2.717 883 HB3 GLU 105 3HB GLU 105 -9.109 9.324 1.377 884 HG2 GLU 105 2HG GLU 105 -11.359 8.247 1.055 885 HG3 GLU 105 3HG GLU 105 -11.062 7.291 2.506 886 H GLY 106 H GLY 106 -9.984 5.616 -0.765 887 HA2 GLY 106 2HA GLY 106 -10.712 7.497 -2.872 888 HA3 GLY 106 3HA GLY 106 -9.439 6.357 -3.300 889 H GLN 107 H GLN 107 -11.511 6.215 -4.837 890 HA GLN 107 HA GLN 107 -13.669 4.569 -3.787 891 HB2 GLN 107 2HB GLN 107 -13.209 5.957 -6.455 892 HB3 GLN 107 3HB GLN 107 -14.548 4.839 -6.215 893 HG2 GLN 107 2HG GLN 107 -15.342 7.107 -5.957 894 HG3 GLN 107 3HG GLN 107 -15.425 6.287 -4.402 895 HE21 GLN 107 1HE2 GLN 107 -13.794 8.781 -6.244 896 HE22 GLN 107 2HE2 GLN 107 -13.021 9.540 -4.900 897 H LEU 108 H LEU 108 -14.392 2.688 -4.766 898 HA LEU 108 HA LEU 108 -12.479 0.723 -5.594 899 HB2 LEU 108 2HB LEU 108 -14.753 0.521 -4.259 900 HB3 LEU 108 3HB LEU 108 -15.501 0.493 -5.836 901 HG LEU 108 HG LEU 108 -13.605 -1.580 -4.675 902 HD11 LEU 108 1HD1 LEU 108 -15.589 -3.053 -4.833 903 HD12 LEU 108 2HD1 LEU 108 -16.566 -1.669 -5.311 904 HD13 LEU 108 3HD1 LEU 108 -15.809 -1.713 -3.714 905 HD21 LEU 108 3HD2 LEU 108 -14.885 -1.580 -7.429 906 HD22 LEU 108 1HD2 LEU 108 -14.049 -2.948 -6.691 907 HD23 LEU 108 2HD2 LEU 108 -13.162 -1.479 -7.066 908 H GLU 109 H GLU 109 -12.001 0.127 -7.704 909 HA GLU 109 HA GLU 109 -12.419 1.731 -9.919 910 HB2 GLU 109 2HB GLU 109 -10.629 0.021 -9.732 911 HB3 GLU 109 3HB GLU 109 -11.829 -1.259 -9.873 912 HG2 GLU 109 2HG GLU 109 -10.690 -0.991 -11.996 913 HG3 GLU 109 3HG GLU 109 -12.365 -0.470 -12.176 914 H GLY 110 H GLY 110 -13.914 -1.469 -9.450 915 HA2 GLY 110 2HA GLY 110 -16.551 -0.656 -10.195 916 HA3 GLY 110 3HA GLY 110 -15.738 -1.513 -11.505 917 H VAL 111 H VAL 111 -17.887 -2.008 -9.163 918 HA VAL 111 HA VAL 111 -17.068 -4.472 -7.979 919 HB VAL 111 HB VAL 111 -19.896 -3.397 -8.431 920 HG11 VAL 111 1HG1 VAL 111 -20.600 -4.948 -6.641 921 HG12 VAL 111 2HG1 VAL 111 -18.966 -5.609 -6.552 922 HG13 VAL 111 3HG1 VAL 111 -19.927 -5.830 -8.016 923 HG21 VAL 111 3HG2 VAL 111 -19.765 -2.621 -6.092 924 HG22 VAL 111 1HG2 VAL 111 -18.524 -1.863 -7.091 925 HG23 VAL 111 2HG2 VAL 111 -18.092 -3.176 -5.990 926 H ASP 112 H ASP 112 -16.501 -6.099 -9.266 927 HA ASP 112 HA ASP 112 -16.480 -7.801 -10.716 928 HB2 ASP 112 2HB ASP 112 -18.744 -8.364 -9.949 929 HB3 ASP 112 3HB ASP 112 -19.451 -7.181 -11.043 930 H LEU 113 H LEU 113 -15.034 -6.794 -12.049 931 HA LEU 113 HA LEU 113 -15.682 -4.794 -13.967 932 HB2 LEU 113 2HB LEU 113 -13.204 -6.518 -13.603 933 HB3 LEU 113 3HB LEU 113 -13.306 -5.245 -14.811 934 HG LEU 113 HG LEU 113 -13.541 -4.804 -11.799 935 HD11 LEU 113 1HD1 LEU 113 -11.198 -4.184 -13.632 936 HD12 LEU 113 2HD1 LEU 113 -11.260 -5.457 -12.411 937 HD13 LEU 113 3HD1 LEU 113 -11.328 -3.768 -11.918 938 HD21 LEU 113 3HD2 LEU 113 -13.409 -2.409 -12.333 939 HD22 LEU 113 1HD2 LEU 113 -14.827 -3.152 -13.069 940 HD23 LEU 113 2HD2 LEU 113 -13.414 -2.779 -14.060 941 H GLU 114 H GLU 114 -16.445 -4.990 -15.951 942 HA GLU 114 HA GLU 114 -17.046 -7.391 -17.321 943 HB2 GLU 114 2HB GLU 114 -16.758 -4.535 -18.375 944 HB3 GLU 114 3HB GLU 114 -17.505 -5.864 -19.262 945 HG2 GLU 114 2HG GLU 114 -19.322 -6.008 -17.683 946 HG3 GLU 114 3HG GLU 114 -18.534 -4.878 -16.581 947 H HIS 115 H HIS 115 -14.550 -4.906 -17.830 948 HA HIS 115 HA HIS 115 -12.930 -6.562 -19.580 949 HB2 HIS 115 2HB HIS 115 -13.128 -4.007 -19.718 950 HB3 HIS 115 3HB HIS 115 -12.206 -3.920 -18.226 951 HD1 HIS 115 HD1 HIS 115 -11.875 -4.601 -21.890 952 HD2 HIS 115 HD2 HIS 115 -9.433 -4.372 -18.535 953 HE1 HIS 115 HE1 HIS 115 -9.523 -4.477 -22.767 954 HE2 HIS 115 HE2 HIS 115 -8.091 -4.172 -20.723 955 H HIS 116 H HIS 116 -12.759 -8.384 -18.120 956 HA HIS 116 HA HIS 116 -11.223 -7.961 -15.630 957 HB2 HIS 116 2HB HIS 116 -12.182 -10.005 -14.762 958 HB3 HIS 116 3HB HIS 116 -13.470 -8.970 -15.355 959 HD1 HIS 116 HD1 HIS 116 -11.878 -12.291 -15.851 960 HD2 HIS 116 HD2 HIS 116 -14.871 -10.019 -17.621 961 HE1 HIS 116 HE1 HIS 116 -13.123 -13.865 -17.356 962 HE2 HIS 116 HE2 HIS 116 -15.028 -12.503 -18.278 963 H HIS 117 H HIS 117 -10.699 -9.113 -18.787 964 HA HIS 117 HA HIS 117 -8.681 -11.078 -18.108 965 HB2 HIS 117 2HB HIS 117 -9.143 -9.618 -20.746 966 HB3 HIS 117 3HB HIS 117 -8.029 -10.961 -20.518 967 HD1 HIS 117 HD1 HIS 117 -10.549 -10.893 -22.475 968 HD2 HIS 117 HD2 HIS 117 -10.332 -12.812 -18.793 969 HE1 HIS 117 HE1 HIS 117 -12.283 -12.704 -22.557 970 HE2 HIS 117 HE2 HIS 117 -11.995 -13.961 -20.394 971 H HIS 118 H HIS 118 -7.520 -9.941 -16.554 972 HA HIS 118 HA HIS 118 -5.172 -8.574 -17.429 973 HB2 HIS 118 2HB HIS 118 -5.463 -6.442 -16.228 974 HB3 HIS 118 3HB HIS 118 -6.767 -6.615 -17.400 975 HD1 HIS 118 HD1 HIS 118 -6.102 -6.381 -13.734 976 HD2 HIS 118 HD2 HIS 118 -9.340 -6.978 -16.248 977 HE1 HIS 118 HE1 HIS 118 -8.133 -6.100 -12.288 978 HE2 HIS 118 HE2 HIS 118 -10.065 -6.674 -13.798 979 H HIS 119 H HIS 119 -3.642 -8.332 -15.596 980 HA HIS 119 HA HIS 119 -3.925 -10.419 -13.652 981 HB2 HIS 119 2HB HIS 119 -1.662 -10.169 -13.329 982 HB3 HIS 119 3HB HIS 119 -1.719 -9.098 -14.716 983 HD1 HIS 119 HD1 HIS 119 -1.977 -6.436 -14.035 984 HD2 HIS 119 HD2 HIS 119 -0.752 -9.001 -11.028 985 HE1 HIS 119 HE1 HIS 119 -1.089 -4.966 -12.218 986 HE2 HIS 119 HE2 HIS 119 -0.668 -6.536 -10.306 987 H HIS 120 H HIS 120 -3.951 -10.156 -11.344 988 HA HIS 120 HA HIS 120 -5.632 -7.975 -10.382 989 HB2 HIS 120 2HB HIS 120 -4.523 -10.443 -8.976 990 HB3 HIS 120 3HB HIS 120 -5.630 -9.291 -8.242 991 HD1 HIS 120 HD1 HIS 120 -8.093 -9.586 -8.715 992 HD2 HIS 120 HD2 HIS 120 -5.699 -12.038 -11.064 993 HE1 HIS 120 HE1 HIS 120 -9.669 -11.149 -9.895 994 HE2 HIS 120 HE2 HIS 120 -8.207 -12.547 -11.390 Start of MODEL 20 1 H1 MET 1 1H MET 1 16.548 1.322 -1.789 2 H2 MET 1 2H MET 1 17.175 2.388 -2.944 3 H3 MET 1 3H MET 1 18.192 1.730 -1.768 4 HA MET 1 HA MET 1 16.789 0.211 -3.882 5 HB2 MET 1 2HB MET 1 18.887 -0.021 -5.037 6 HB3 MET 1 3HB MET 1 18.732 1.689 -4.664 7 HG2 MET 1 2HG MET 1 20.296 1.457 -2.804 8 HG3 MET 1 3HG MET 1 20.397 -0.283 -3.074 9 HE1 MET 1 3HE MET 1 23.941 0.660 -4.266 10 HE2 MET 1 1HE MET 1 22.961 -0.454 -3.313 11 HE3 MET 1 2HE MET 1 23.080 1.244 -2.843 12 H SER 2 H SER 2 17.585 0.074 -0.747 13 HA SER 2 HA SER 2 19.269 -2.131 -0.399 14 HB2 SER 2 2HB SER 2 18.777 -0.520 1.400 15 HB3 SER 2 3HB SER 2 17.089 -1.031 1.431 16 HG SER 2 HG SER 2 19.039 -2.000 2.842 17 H GLY 3 H GLY 3 18.936 -4.233 -0.763 18 HA2 GLY 3 2HA GLY 3 16.412 -5.466 -1.362 19 HA3 GLY 3 3HA GLY 3 17.956 -6.277 -1.119 20 H LYS 4 H LYS 4 15.357 -4.659 0.591 21 HA LYS 4 HA LYS 4 15.947 -6.139 3.078 22 HB2 LYS 4 2HB LYS 4 14.640 -4.182 4.186 23 HB3 LYS 4 3HB LYS 4 16.260 -3.847 3.607 24 HG2 LYS 4 2HG LYS 4 14.870 -1.957 3.082 25 HG3 LYS 4 3HG LYS 4 15.284 -2.767 1.574 26 HD2 LYS 4 2HD LYS 4 13.015 -3.842 1.582 27 HD3 LYS 4 3HD LYS 4 12.618 -2.937 3.045 28 HE2 LYS 4 2HE LYS 4 11.686 -1.859 1.044 29 HE3 LYS 4 3HE LYS 4 12.888 -0.825 1.814 30 HZ1 LYS 4 3HZ LYS 4 14.513 -1.607 0.137 31 HZ2 LYS 4 1HZ LYS 4 13.196 -0.797 -0.558 32 HZ3 LYS 4 2HZ LYS 4 13.284 -2.485 -0.622 33 H LYS 5 H LYS 5 13.955 -6.385 4.459 34 HA LYS 5 HA LYS 5 11.606 -7.232 2.911 35 HB2 LYS 5 2HB LYS 5 12.578 -8.837 4.576 36 HB3 LYS 5 3HB LYS 5 12.275 -7.670 5.859 37 HG2 LYS 5 2HG LYS 5 9.801 -7.809 5.280 38 HG3 LYS 5 3HG LYS 5 10.198 -9.123 4.176 39 HD2 LYS 5 2HD LYS 5 9.476 -10.219 6.140 40 HD3 LYS 5 3HD LYS 5 11.233 -10.313 6.224 41 HE2 LYS 5 2HE LYS 5 9.530 -8.275 7.706 42 HE3 LYS 5 3HE LYS 5 10.154 -9.759 8.411 43 HZ1 LYS 5 3HZ LYS 5 11.754 -7.467 7.420 44 HZ2 LYS 5 1HZ LYS 5 12.407 -8.920 7.986 45 HZ3 LYS 5 2HZ LYS 5 11.528 -7.926 9.028 46 H VAL 6 H VAL 6 10.162 -5.632 2.635 47 HA VAL 6 HA VAL 6 9.657 -3.629 4.746 48 HB VAL 6 HB VAL 6 9.926 -2.390 2.728 49 HG11 VAL 6 1HG1 VAL 6 8.277 -4.486 1.250 50 HG12 VAL 6 2HG1 VAL 6 10.026 -4.280 1.146 51 HG13 VAL 6 3HG1 VAL 6 8.955 -3.021 0.530 52 HG21 VAL 6 3HG2 VAL 6 7.700 -1.521 2.109 53 HG22 VAL 6 1HG2 VAL 6 7.832 -1.752 3.856 54 HG23 VAL 6 2HG2 VAL 6 6.929 -2.910 2.879 55 H GLU 7 H GLU 7 7.853 -3.864 5.929 56 HA GLU 7 HA GLU 7 5.886 -5.932 5.160 57 HB2 GLU 7 2HB GLU 7 6.419 -4.700 7.891 58 HB3 GLU 7 3HB GLU 7 5.235 -5.956 7.544 59 HG2 GLU 7 2HG GLU 7 7.061 -7.480 6.843 60 HG3 GLU 7 3HG GLU 7 8.243 -6.222 7.208 61 H VAL 8 H VAL 8 4.180 -5.191 4.250 62 HA VAL 8 HA VAL 8 3.405 -2.374 4.336 63 HB VAL 8 HB VAL 8 2.655 -4.682 2.467 64 HG11 VAL 8 1HG1 VAL 8 1.862 -1.760 2.213 65 HG12 VAL 8 2HG1 VAL 8 0.772 -3.088 2.610 66 HG13 VAL 8 3HG1 VAL 8 1.540 -3.023 1.023 67 HG21 VAL 8 3HG2 VAL 8 4.995 -3.903 2.222 68 HG22 VAL 8 1HG2 VAL 8 4.423 -2.251 1.967 69 HG23 VAL 8 2HG2 VAL 8 4.039 -3.512 0.793 70 H GLN 9 H GLN 9 1.962 -1.933 5.901 71 HA GLN 9 HA GLN 9 0.133 -4.029 6.898 72 HB2 GLN 9 2HB GLN 9 0.972 -1.394 8.196 73 HB3 GLN 9 3HB GLN 9 0.043 -2.683 8.960 74 HG2 GLN 9 2HG GLN 9 1.967 -4.179 8.886 75 HG3 GLN 9 3HG GLN 9 2.898 -2.993 7.970 76 HE21 GLN 9 1HE2 GLN 9 4.548 -2.943 9.531 77 HE22 GLN 9 2HE2 GLN 9 4.338 -2.200 11.078 78 H VAL 10 H VAL 10 -1.650 -3.907 5.665 79 HA VAL 10 HA VAL 10 -2.688 -1.329 4.715 80 HB VAL 10 HB VAL 10 -3.555 -4.172 3.988 81 HG11 VAL 10 1HG1 VAL 10 -4.229 -1.525 2.646 82 HG12 VAL 10 2HG1 VAL 10 -5.343 -2.528 3.578 83 HG13 VAL 10 3HG1 VAL 10 -4.692 -3.122 2.049 84 HG21 VAL 10 3HG2 VAL 10 -1.216 -3.770 3.302 85 HG22 VAL 10 1HG2 VAL 10 -1.706 -2.299 2.455 86 HG23 VAL 10 2HG2 VAL 10 -2.272 -3.874 1.892 87 H LYS 11 H LYS 11 -4.000 -0.368 6.156 88 HA LYS 11 HA LYS 11 -5.928 -1.942 7.759 89 HB2 LYS 11 2HB LYS 11 -4.314 -0.536 9.048 90 HB3 LYS 11 3HB LYS 11 -4.852 0.892 8.169 91 HG2 LYS 11 2HG LYS 11 -7.127 0.617 9.153 92 HG3 LYS 11 3HG LYS 11 -6.553 -0.788 10.053 93 HD2 LYS 11 2HD LYS 11 -5.549 2.069 10.370 94 HD3 LYS 11 3HD LYS 11 -6.626 1.222 11.482 95 HE2 LYS 11 2HE LYS 11 -4.815 -0.429 11.941 96 HE3 LYS 11 3HE LYS 11 -3.742 0.469 10.865 97 HZ1 LYS 11 3HZ LYS 11 -4.993 1.549 13.332 98 HZ2 LYS 11 1HZ LYS 11 -3.926 2.375 12.313 99 HZ3 LYS 11 2HZ LYS 11 -3.390 1.035 13.188 100 H ILE 12 H ILE 12 -7.735 -2.056 6.500 101 HA ILE 12 HA ILE 12 -8.686 0.377 5.110 102 HB ILE 12 HB ILE 12 -7.903 -1.170 3.428 103 HG12 ILE 12 2HG1 ILE 12 -10.956 -1.254 3.469 104 HG13 ILE 12 3HG1 ILE 12 -9.998 0.128 2.953 105 HG21 ILE 12 1HG2 ILE 12 -8.783 -3.451 3.121 106 HG22 ILE 12 2HG2 ILE 12 -9.736 -3.287 4.597 107 HG23 ILE 12 3HG2 ILE 12 -7.973 -3.278 4.681 108 HD11 ILE 12 3HD1 ILE 12 -10.083 -2.575 1.611 109 HD12 ILE 12 1HD1 ILE 12 -9.086 -1.207 1.106 110 HD13 ILE 12 2HD1 ILE 12 -10.843 -1.087 1.053 111 H THR 13 H THR 13 -10.543 1.126 5.822 112 HA THR 13 HA THR 13 -12.279 -0.484 7.528 113 HB THR 13 HB THR 13 -12.489 2.470 6.796 114 HG1 THR 13 HG1 THR 13 -11.377 1.217 9.109 115 HG21 THR 13 3HG2 THR 13 -13.900 2.627 8.827 116 HG22 THR 13 1HG2 THR 13 -13.773 0.888 9.068 117 HG23 THR 13 2HG2 THR 13 -14.625 1.522 7.654 118 H CYS 14 H CYS 14 -14.066 -1.412 6.779 119 HA CYS 14 HA CYS 14 -15.555 -0.537 4.474 120 HB2 CYS 14 2HB CYS 14 -13.791 -1.692 3.298 121 HB3 CYS 14 3HB CYS 14 -13.826 -3.045 4.418 122 H ASN 15 H ASN 15 -17.599 -0.933 4.930 123 HA ASN 15 HA ASN 15 -19.548 -1.787 5.620 124 HB2 ASN 15 2HB ASN 15 -18.510 -3.898 4.496 125 HB3 ASN 15 3HB ASN 15 -18.185 -4.474 6.124 126 HD21 ASN 15 1HD2 ASN 15 -20.714 -3.594 3.856 127 HD22 ASN 15 2HD2 ASN 15 -21.974 -4.478 4.639 128 H GLY 16 H GLY 16 -17.608 -0.591 7.483 129 HA2 GLY 16 2HA GLY 16 -17.877 0.163 9.668 130 HA3 GLY 16 3HA GLY 16 -19.019 -1.128 9.985 131 H LYS 17 H LYS 17 -16.332 -2.504 8.597 132 HA LYS 17 HA LYS 17 -15.142 -3.242 11.216 133 HB2 LYS 17 2HB LYS 17 -15.172 -4.739 8.558 134 HB3 LYS 17 3HB LYS 17 -14.378 -5.307 10.021 135 HG2 LYS 17 2HG LYS 17 -17.371 -4.827 9.791 136 HG3 LYS 17 3HG LYS 17 -16.599 -6.390 9.521 137 HD2 LYS 17 2HD LYS 17 -16.533 -4.816 12.128 138 HD3 LYS 17 3HD LYS 17 -17.571 -6.204 11.791 139 HE2 LYS 17 2HE LYS 17 -14.533 -6.226 11.900 140 HE3 LYS 17 3HE LYS 17 -15.623 -6.899 13.107 141 HZ1 LYS 17 3HZ LYS 17 -16.372 -8.522 11.525 142 HZ2 LYS 17 1HZ LYS 17 -14.688 -8.585 11.618 143 HZ3 LYS 17 2HZ LYS 17 -15.436 -7.846 10.294 144 H THR 18 H THR 18 -12.830 -3.442 11.326 145 HA THR 18 HA THR 18 -11.336 -1.781 9.362 146 HB THR 18 HB THR 18 -10.682 -2.265 12.307 147 HG1 THR 18 HG1 THR 18 -12.640 -0.986 11.832 148 HG21 THR 18 3HG2 THR 18 -9.107 -0.378 12.030 149 HG22 THR 18 1HG2 THR 18 -9.531 -0.260 10.326 150 HG23 THR 18 2HG2 THR 18 -8.694 -1.695 10.927 151 H TYR 19 H TYR 19 -10.155 -3.100 8.051 152 HA TYR 19 HA TYR 19 -9.251 -5.757 9.019 153 HB2 TYR 19 2HB TYR 19 -9.446 -4.799 6.119 154 HB3 TYR 19 3HB TYR 19 -9.168 -6.444 6.677 155 HD1 TYR 19 HD1 TYR 19 -11.056 -7.798 7.580 156 HD2 TYR 19 HD2 TYR 19 -11.706 -3.846 6.082 157 HE1 TYR 19 HE1 TYR 19 -13.476 -8.225 7.479 158 HE2 TYR 19 HE2 TYR 19 -14.116 -4.279 5.982 159 HH TYR 19 HH TYR 19 -15.691 -6.070 5.936 160 H GLU 20 H GLU 20 -7.290 -5.280 9.940 161 HA GLU 20 HA GLU 20 -5.288 -3.847 8.285 162 HB2 GLU 20 2HB GLU 20 -4.158 -3.254 10.456 163 HB3 GLU 20 3HB GLU 20 -5.711 -2.491 10.186 164 HG2 GLU 20 2HG GLU 20 -6.717 -4.287 11.708 165 HG3 GLU 20 3HG GLU 20 -5.060 -4.721 12.130 166 H ARG 21 H ARG 21 -3.595 -4.954 7.633 167 HA ARG 21 HA ARG 21 -2.943 -7.585 8.804 168 HB2 ARG 21 2HB ARG 21 -4.685 -7.897 7.006 169 HB3 ARG 21 3HB ARG 21 -3.598 -7.142 5.850 170 HG2 ARG 21 2HG ARG 21 -3.242 -9.407 5.420 171 HG3 ARG 21 3HG ARG 21 -1.924 -9.059 6.538 172 HD2 ARG 21 2HD ARG 21 -4.574 -10.360 7.239 173 HD3 ARG 21 3HD ARG 21 -3.033 -11.194 7.069 174 HE ARG 21 HE ARG 21 -2.351 -9.583 8.983 175 HH11 ARG 21 1HH1 ARG 21 -5.493 -11.142 8.712 176 HH12 ARG 21 2HH1 ARG 21 -5.758 -11.165 10.424 177 HH21 ARG 21 1HH2 ARG 21 -2.699 -9.612 11.201 178 HH22 ARG 21 2HH2 ARG 21 -4.162 -10.290 11.845 179 H THR 22 H THR 22 -0.789 -7.807 8.923 180 HA THR 22 HA THR 22 1.036 -6.020 7.533 181 HB THR 22 HB THR 22 1.634 -8.284 9.496 182 HG1 THR 22 HG1 THR 22 0.586 -5.780 9.847 183 HG21 THR 22 3HG2 THR 22 3.756 -7.088 9.889 184 HG22 THR 22 1HG2 THR 22 3.323 -5.886 8.676 185 HG23 THR 22 2HG2 THR 22 3.621 -7.560 8.195 186 H TYR 23 H TYR 23 1.525 -6.547 5.479 187 HA TYR 23 HA TYR 23 1.799 -9.343 4.593 188 HB2 TYR 23 2HB TYR 23 1.658 -6.695 3.072 189 HB3 TYR 23 3HB TYR 23 2.043 -8.218 2.282 190 HD1 TYR 23 HD1 TYR 23 -0.657 -6.246 3.881 191 HD2 TYR 23 HD2 TYR 23 0.324 -9.911 1.900 192 HE1 TYR 23 HE1 TYR 23 -3.050 -6.709 3.541 193 HE2 TYR 23 HE2 TYR 23 -2.059 -10.381 1.574 194 HH TYR 23 HH TYR 23 -4.178 -9.789 2.332 195 H GLN 24 H GLN 24 3.774 -10.215 4.537 196 HA GLN 24 HA GLN 24 6.172 -8.550 4.900 197 HB2 GLN 24 2HB GLN 24 5.795 -11.580 4.948 198 HB3 GLN 24 3HB GLN 24 7.353 -10.785 5.135 199 HG2 GLN 24 2HG GLN 24 6.602 -11.370 7.329 200 HG3 GLN 24 3HG GLN 24 6.441 -9.621 7.176 201 HE21 GLN 24 1HE2 GLN 24 4.902 -9.478 8.827 202 HE22 GLN 24 2HE2 GLN 24 3.289 -10.073 8.651 203 H LEU 25 H LEU 25 6.998 -7.720 3.084 204 HA LEU 25 HA LEU 25 7.058 -9.318 0.581 205 HB2 LEU 25 2HB LEU 25 6.719 -6.298 0.894 206 HB3 LEU 25 3HB LEU 25 6.983 -7.108 -0.643 207 HG LEU 25 HG LEU 25 4.530 -7.412 1.142 208 HD11 LEU 25 1HD1 LEU 25 3.318 -6.288 -0.659 209 HD12 LEU 25 2HD1 LEU 25 4.814 -6.100 -1.580 210 HD13 LEU 25 3HD1 LEU 25 4.612 -5.268 -0.037 211 HD21 LEU 25 3HD2 LEU 25 5.120 -8.743 -1.529 212 HD22 LEU 25 1HD2 LEU 25 3.575 -8.791 -0.671 213 HD23 LEU 25 2HD2 LEU 25 4.999 -9.541 0.042 214 H TYR 26 H TYR 26 9.027 -9.578 -0.297 215 HA TYR 26 HA TYR 26 11.306 -7.893 0.579 216 HB2 TYR 26 2HB TYR 26 11.365 -10.186 1.630 217 HB3 TYR 26 3HB TYR 26 11.363 -10.913 0.030 218 HD1 TYR 26 HD2 TYR 26 13.422 -10.557 -1.486 219 HD2 TYR 26 HD1 TYR 26 13.403 -9.393 2.630 220 HE1 TYR 26 HE2 TYR 26 15.878 -10.454 -1.503 221 HE2 TYR 26 HE1 TYR 26 15.850 -9.294 2.608 222 HH TYR 26 HH TYR 26 17.682 -9.249 -0.175 223 H ALA 27 H ALA 27 12.485 -7.077 -1.063 224 HA ALA 27 HA ALA 27 12.757 -8.427 -3.616 225 HB1 ALA 27 3HB ALA 27 12.033 -6.525 -5.004 226 HB2 ALA 27 1HB ALA 27 11.537 -5.636 -3.559 227 HB3 ALA 27 2HB ALA 27 10.697 -7.117 -4.018 228 H VAL 28 H VAL 28 14.528 -7.680 -4.786 229 HA VAL 28 HA VAL 28 16.679 -6.458 -3.391 230 HB VAL 28 HB VAL 28 16.332 -6.993 -6.383 231 HG11 VAL 28 1HG1 VAL 28 18.796 -6.824 -6.563 232 HG12 VAL 28 2HG1 VAL 28 18.891 -6.351 -4.865 233 HG13 VAL 28 3HG1 VAL 28 18.079 -5.302 -6.030 234 HG21 VAL 28 3HG2 VAL 28 17.681 -9.031 -6.015 235 HG22 VAL 28 1HG2 VAL 28 16.205 -9.067 -5.046 236 HG23 VAL 28 2HG2 VAL 28 17.751 -8.687 -4.285 237 H ARG 29 H ARG 29 14.815 -5.380 -6.250 238 HA ARG 29 HA ARG 29 15.648 -2.598 -5.823 239 HB2 ARG 29 2HB ARG 29 14.201 -3.889 -8.168 240 HB3 ARG 29 3HB ARG 29 14.682 -2.199 -8.090 241 HG2 ARG 29 2HG ARG 29 17.056 -2.868 -8.050 242 HG3 ARG 29 3HG ARG 29 16.584 -4.573 -8.102 243 HD2 ARG 29 2HD ARG 29 15.542 -4.247 -10.290 244 HD3 ARG 29 3HD ARG 29 15.892 -2.518 -10.233 245 HE ARG 29 HE ARG 29 18.268 -4.081 -10.009 246 HH11 ARG 29 1HH1 ARG 29 15.917 -2.916 -12.373 247 HH12 ARG 29 2HH1 ARG 29 17.040 -2.985 -13.695 248 HH21 ARG 29 1HH2 ARG 29 19.719 -4.158 -11.751 249 HH22 ARG 29 2HH2 ARG 29 19.200 -3.693 -13.339 250 H ASP 30 H ASP 30 14.135 -0.929 -6.105 251 HA ASP 30 HA ASP 30 11.739 -1.007 -4.602 252 HB2 ASP 30 2HB ASP 30 11.528 1.344 -5.293 253 HB3 ASP 30 3HB ASP 30 13.197 1.006 -4.862 254 H GLU 31 H GLU 31 12.458 -1.172 -8.051 255 HA GLU 31 HA GLU 31 9.865 -0.693 -9.088 256 HB2 GLU 31 2HB GLU 31 10.800 -1.465 -11.244 257 HB3 GLU 31 3HB GLU 31 11.871 -0.326 -10.438 258 HG2 GLU 31 2HG GLU 31 13.305 -2.177 -9.678 259 HG3 GLU 31 3HG GLU 31 12.228 -3.340 -10.447 260 H GLU 32 H GLU 32 11.530 -3.592 -8.053 261 HA GLU 32 HA GLU 32 9.793 -5.540 -9.168 262 HB2 GLU 32 2HB GLU 32 11.455 -5.762 -6.621 263 HB3 GLU 32 3HB GLU 32 10.853 -7.099 -7.600 264 HG2 GLU 32 2HG GLU 32 12.910 -5.051 -8.470 265 HG3 GLU 32 3HG GLU 32 13.271 -6.683 -7.923 266 H LEU 33 H LEU 33 9.772 -3.614 -6.233 267 HA LEU 33 HA LEU 33 7.807 -5.080 -4.794 268 HB2 LEU 33 2HB LEU 33 9.654 -3.106 -4.146 269 HB3 LEU 33 3HB LEU 33 8.162 -2.199 -4.081 270 HG LEU 33 HG LEU 33 8.741 -2.979 -1.848 271 HD11 LEU 33 1HD1 LEU 33 6.734 -4.160 -1.156 272 HD12 LEU 33 2HD1 LEU 33 6.382 -4.598 -2.830 273 HD13 LEU 33 3HD1 LEU 33 6.345 -2.905 -2.331 274 HD21 LEU 33 3HD2 LEU 33 8.923 -5.346 -1.241 275 HD22 LEU 33 1HD2 LEU 33 10.141 -4.893 -2.433 276 HD23 LEU 33 2HD2 LEU 33 8.718 -5.811 -2.934 277 H LYS 34 H LYS 34 7.628 -2.592 -7.278 278 HA LYS 34 HA LYS 34 5.168 -1.378 -6.756 279 HB2 LYS 34 2HB LYS 34 6.383 -2.026 -9.474 280 HB3 LYS 34 3HB LYS 34 4.992 -0.968 -9.242 281 HG2 LYS 34 2HG LYS 34 6.418 0.561 -7.900 282 HG3 LYS 34 3HG LYS 34 7.812 -0.475 -8.232 283 HD2 LYS 34 2HD LYS 34 6.156 1.038 -10.301 284 HD3 LYS 34 3HD LYS 34 7.778 1.465 -9.754 285 HE2 LYS 34 2HE LYS 34 8.640 -0.664 -10.699 286 HE3 LYS 34 3HE LYS 34 7.020 -1.067 -11.258 287 HZ1 LYS 34 3HZ LYS 34 7.068 0.855 -12.689 288 HZ2 LYS 34 1HZ LYS 34 8.378 -0.158 -13.017 289 HZ3 LYS 34 2HZ LYS 34 8.611 1.274 -12.147 290 H GLU 35 H GLU 35 5.710 -4.089 -9.058 291 HA GLU 35 HA GLU 35 2.994 -4.571 -9.536 292 HB2 GLU 35 2HB GLU 35 3.729 -6.683 -10.621 293 HB3 GLU 35 3HB GLU 35 4.622 -5.272 -11.149 294 HG2 GLU 35 2HG GLU 35 6.305 -6.852 -10.981 295 HG3 GLU 35 3HG GLU 35 6.426 -6.042 -9.424 296 H LYS 36 H LYS 36 5.081 -5.773 -6.988 297 HA LYS 36 HA LYS 36 3.444 -7.902 -6.056 298 HB2 LYS 36 2HB LYS 36 5.420 -6.214 -4.455 299 HB3 LYS 36 3HB LYS 36 4.775 -7.790 -3.981 300 HG2 LYS 36 2HG LYS 36 5.858 -8.807 -5.963 301 HG3 LYS 36 3HG LYS 36 6.526 -7.230 -6.386 302 HD2 LYS 36 2HD LYS 36 7.713 -7.253 -4.130 303 HD3 LYS 36 3HD LYS 36 7.188 -8.933 -3.959 304 HE2 LYS 36 2HE LYS 36 9.035 -7.778 -6.071 305 HE3 LYS 36 3HE LYS 36 9.433 -8.965 -4.829 306 HZ1 LYS 36 3HZ LYS 36 7.895 -10.519 -5.944 307 HZ2 LYS 36 1HZ LYS 36 9.176 -10.041 -6.943 308 HZ3 LYS 36 2HZ LYS 36 7.635 -9.378 -7.162 309 H LEU 37 H LEU 37 3.700 -4.460 -5.153 310 HA LEU 37 HA LEU 37 1.763 -4.364 -3.124 311 HB2 LEU 37 2HB LEU 37 2.658 -2.245 -5.103 312 HB3 LEU 37 3HB LEU 37 1.554 -1.900 -3.780 313 HG LEU 37 HG LEU 37 4.391 -2.929 -3.399 314 HD11 LEU 37 1HD1 LEU 37 4.442 -0.709 -4.410 315 HD12 LEU 37 2HD1 LEU 37 4.986 -0.652 -2.735 316 HD13 LEU 37 3HD1 LEU 37 3.365 -0.091 -3.155 317 HD21 LEU 37 3HD2 LEU 37 4.070 -2.278 -1.049 318 HD22 LEU 37 1HD2 LEU 37 2.901 -3.502 -1.538 319 HD23 LEU 37 2HD2 LEU 37 2.400 -1.813 -1.392 320 H LYS 38 H LYS 38 1.439 -3.989 -6.690 321 HA LYS 38 HA LYS 38 -1.301 -3.459 -6.846 322 HB2 LYS 38 2HB LYS 38 0.401 -5.073 -8.789 323 HB3 LYS 38 3HB LYS 38 -1.183 -4.385 -9.148 324 HG2 LYS 38 2HG LYS 38 -0.281 -2.110 -8.863 325 HG3 LYS 38 3HG LYS 38 1.302 -2.782 -8.452 326 HD2 LYS 38 2HD LYS 38 1.272 -2.033 -10.792 327 HD3 LYS 38 3HD LYS 38 1.469 -3.786 -10.709 328 HE2 LYS 38 2HE LYS 38 -0.971 -4.046 -11.195 329 HE3 LYS 38 3HE LYS 38 -1.104 -2.293 -11.343 330 HZ1 LYS 38 3HZ LYS 38 -0.887 -3.361 -13.492 331 HZ2 LYS 38 1HZ LYS 38 0.595 -4.038 -13.040 332 HZ3 LYS 38 2HZ LYS 38 0.439 -2.362 -13.185 333 H LYS 39 H LYS 39 0.399 -6.617 -6.785 334 HA LYS 39 HA LYS 39 -1.851 -8.296 -7.053 335 HB2 LYS 39 2HB LYS 39 0.706 -8.941 -5.523 336 HB3 LYS 39 3HB LYS 39 -0.441 -10.109 -6.170 337 HG2 LYS 39 2HG LYS 39 1.307 -8.249 -7.802 338 HG3 LYS 39 3HG LYS 39 1.620 -9.956 -7.525 339 HD2 LYS 39 2HD LYS 39 -0.813 -8.855 -8.990 340 HD3 LYS 39 3HD LYS 39 0.652 -9.442 -9.777 341 HE2 LYS 39 2HE LYS 39 -1.229 -11.091 -8.060 342 HE3 LYS 39 3HE LYS 39 -1.084 -11.163 -9.814 343 HZ1 LYS 39 3HZ LYS 39 0.107 -12.963 -8.759 344 HZ2 LYS 39 1HZ LYS 39 1.053 -11.878 -7.872 345 HZ3 LYS 39 2HZ LYS 39 1.192 -11.941 -9.557 346 H VAL 40 H VAL 40 -0.121 -7.218 -4.134 347 HA VAL 40 HA VAL 40 -1.614 -8.399 -2.118 348 HB VAL 40 HB VAL 40 0.021 -5.828 -2.166 349 HG11 VAL 40 1HG1 VAL 40 0.048 -5.858 0.314 350 HG12 VAL 40 2HG1 VAL 40 -1.151 -7.153 0.303 351 HG13 VAL 40 3HG1 VAL 40 -1.570 -5.556 -0.325 352 HG21 VAL 40 3HG2 VAL 40 1.286 -7.915 -2.526 353 HG22 VAL 40 1HG2 VAL 40 0.635 -8.580 -1.027 354 HG23 VAL 40 2HG2 VAL 40 1.717 -7.186 -0.977 355 H LEU 41 H LEU 41 -2.129 -5.258 -3.719 356 HA LEU 41 HA LEU 41 -4.314 -4.461 -2.047 357 HB2 LEU 41 2HB LEU 41 -3.205 -3.391 -4.656 358 HB3 LEU 41 3HB LEU 41 -4.654 -2.707 -3.931 359 HG LEU 41 HG LEU 41 -1.962 -2.836 -2.502 360 HD11 LEU 41 1HD1 LEU 41 -1.719 -0.445 -2.961 361 HD12 LEU 41 2HD1 LEU 41 -3.185 -0.469 -3.945 362 HD13 LEU 41 3HD1 LEU 41 -1.764 -1.383 -4.453 363 HD21 LEU 41 3HD2 LEU 41 -2.967 -1.249 -0.926 364 HD22 LEU 41 1HD2 LEU 41 -3.898 -2.743 -0.984 365 HD23 LEU 41 2HD2 LEU 41 -4.493 -1.299 -1.812 366 H ASN 42 H ASN 42 -4.094 -6.039 -5.261 367 HA ASN 42 HA ASN 42 -6.878 -6.228 -5.733 368 HB2 ASN 42 2HB ASN 42 -4.427 -7.603 -6.825 369 HB3 ASN 42 3HB ASN 42 -5.969 -8.407 -7.101 370 HD21 ASN 42 1HD2 ASN 42 -4.082 -5.525 -7.814 371 HD22 ASN 42 2HD2 ASN 42 -5.054 -5.004 -9.137 372 H GLU 43 H GLU 43 -4.734 -8.186 -3.712 373 HA GLU 43 HA GLU 43 -6.597 -10.348 -3.338 374 HB2 GLU 43 2HB GLU 43 -4.135 -9.579 -1.720 375 HB3 GLU 43 3HB GLU 43 -5.059 -11.061 -1.491 376 HG2 GLU 43 2HG GLU 43 -3.477 -10.280 -3.956 377 HG3 GLU 43 3HG GLU 43 -3.037 -11.503 -2.773 378 H ARG 44 H ARG 44 -5.506 -7.642 -1.263 379 HA ARG 44 HA ARG 44 -7.219 -8.241 0.916 380 HB2 ARG 44 2HB ARG 44 -5.145 -6.985 1.246 381 HB3 ARG 44 3HB ARG 44 -5.714 -5.689 0.207 382 HG2 ARG 44 2HG ARG 44 -5.784 -5.119 2.635 383 HG3 ARG 44 3HG ARG 44 -7.354 -4.991 1.847 384 HD2 ARG 44 2HD ARG 44 -7.410 -6.027 4.149 385 HD3 ARG 44 3HD ARG 44 -8.131 -7.023 2.882 386 HE ARG 44 HE ARG 44 -5.411 -7.710 3.239 387 HH11 ARG 44 1HH1 ARG 44 -8.501 -8.099 4.898 388 HH12 ARG 44 2HH1 ARG 44 -8.023 -9.571 5.676 389 HH21 ARG 44 1HH2 ARG 44 -4.857 -9.689 4.182 390 HH22 ARG 44 2HH2 ARG 44 -5.956 -10.474 5.268 391 H MET 45 H MET 45 -7.587 -6.141 -1.932 392 HA MET 45 HA MET 45 -10.072 -4.994 -0.919 393 HB2 MET 45 2HB MET 45 -8.540 -4.498 -3.485 394 HB3 MET 45 3HB MET 45 -10.100 -3.769 -3.160 395 HG2 MET 45 2HG MET 45 -9.020 -2.806 -1.026 396 HG3 MET 45 3HG MET 45 -7.481 -3.284 -1.743 397 HE1 MET 45 3HE MET 45 -10.786 -1.854 -3.466 398 HE2 MET 45 1HE MET 45 -10.356 -0.147 -3.560 399 HE3 MET 45 2HE MET 45 -10.603 -0.905 -1.988 400 H ASP 46 H ASP 46 -9.287 -7.840 -2.649 401 HA ASP 46 HA ASP 46 -11.441 -8.000 -4.452 402 HB2 ASP 46 2HB ASP 46 -9.605 -9.609 -4.604 403 HB3 ASP 46 3HB ASP 46 -10.014 -10.295 -3.039 404 HA PRO 47 HA PRO 47 -14.196 -9.998 -0.866 405 HB2 PRO 47 2HB PRO 47 -13.429 -9.339 1.734 406 HB3 PRO 47 3HB PRO 47 -13.027 -10.878 0.942 407 HG2 PRO 47 2HG PRO 47 -11.336 -8.409 1.215 408 HG3 PRO 47 3HG PRO 47 -10.884 -10.115 1.450 409 HD2 PRO 47 2HD PRO 47 -10.252 -8.843 -0.818 410 HD3 PRO 47 3HD PRO 47 -10.755 -10.544 -0.848 411 H ILE 48 H ILE 48 -12.527 -6.916 -0.664 412 HA ILE 48 HA ILE 48 -14.482 -5.486 0.881 413 HB ILE 48 HB ILE 48 -12.217 -4.436 -0.875 414 HG12 ILE 48 2HG1 ILE 48 -11.350 -5.884 0.906 415 HG13 ILE 48 3HG1 ILE 48 -10.917 -4.216 1.238 416 HG21 ILE 48 1HG2 ILE 48 -13.793 -2.957 1.254 417 HG22 ILE 48 2HG2 ILE 48 -13.858 -2.666 -0.483 418 HG23 ILE 48 3HG2 ILE 48 -12.375 -2.331 0.410 419 HD11 ILE 48 3HD1 ILE 48 -11.525 -5.394 3.251 420 HD12 ILE 48 1HD1 ILE 48 -13.109 -5.790 2.587 421 HD13 ILE 48 2HD1 ILE 48 -12.686 -4.110 2.928 422 H LYS 49 H LYS 49 -13.884 -5.980 -2.579 423 HA LYS 49 HA LYS 49 -15.716 -3.989 -3.535 424 HB2 LYS 49 2HB LYS 49 -14.736 -6.463 -5.013 425 HB3 LYS 49 3HB LYS 49 -15.485 -5.037 -5.727 426 HG2 LYS 49 2HG LYS 49 -13.531 -3.683 -5.119 427 HG3 LYS 49 3HG LYS 49 -12.782 -5.083 -4.357 428 HD2 LYS 49 2HD LYS 49 -13.458 -4.810 -7.314 429 HD3 LYS 49 3HD LYS 49 -11.846 -4.693 -6.606 430 HE2 LYS 49 2HE LYS 49 -11.976 -7.053 -5.892 431 HE3 LYS 49 3HE LYS 49 -13.607 -7.174 -6.551 432 HZ1 LYS 49 3HZ LYS 49 -12.679 -6.689 -8.751 433 HZ2 LYS 49 1HZ LYS 49 -12.029 -8.098 -8.078 434 HZ3 LYS 49 2HZ LYS 49 -11.123 -6.673 -8.094 435 H LYS 50 H LYS 50 -15.892 -7.470 -2.835 436 HA LYS 50 HA LYS 50 -18.604 -7.805 -3.687 437 HB2 LYS 50 2HB LYS 50 -16.890 -9.613 -3.653 438 HB3 LYS 50 3HB LYS 50 -16.880 -9.570 -1.901 439 HG2 LYS 50 2HG LYS 50 -19.475 -10.120 -3.343 440 HG3 LYS 50 3HG LYS 50 -18.274 -11.402 -3.240 441 HD2 LYS 50 2HD LYS 50 -19.580 -9.974 -0.881 442 HD3 LYS 50 3HD LYS 50 -19.949 -11.608 -1.440 443 HE2 LYS 50 2HE LYS 50 -17.632 -12.305 -0.890 444 HE3 LYS 50 3HE LYS 50 -17.282 -10.673 -0.314 445 HZ1 LYS 50 3HZ LYS 50 -18.851 -10.944 1.436 446 HZ2 LYS 50 1HZ LYS 50 -17.822 -12.284 1.450 447 HZ3 LYS 50 2HZ LYS 50 -19.385 -12.424 0.822 448 H LEU 51 H LEU 51 -17.049 -6.794 -0.718 449 HA LEU 51 HA LEU 51 -19.382 -6.891 0.977 450 HB2 LEU 51 2HB LEU 51 -16.793 -5.297 1.186 451 HB3 LEU 51 3HB LEU 51 -18.067 -5.195 2.390 452 HG LEU 51 HG LEU 51 -16.524 -7.730 1.710 453 HD11 LEU 51 1HD1 LEU 51 -15.409 -7.464 3.873 454 HD12 LEU 51 2HD1 LEU 51 -16.223 -5.916 4.116 455 HD13 LEU 51 3HD1 LEU 51 -15.066 -6.112 2.797 456 HD21 LEU 51 3HD2 LEU 51 -18.557 -7.207 3.906 457 HD22 LEU 51 1HD2 LEU 51 -17.592 -8.677 3.726 458 HD23 LEU 51 2HD2 LEU 51 -18.776 -8.247 2.496 459 H GLY 52 H GLY 52 -18.009 -4.699 -1.373 460 HA2 GLY 52 2HA GLY 52 -18.966 -3.086 -2.650 461 HA3 GLY 52 3HA GLY 52 -20.519 -3.493 -1.941 462 H CYS 53 H CYS 53 -17.625 -2.451 -0.259 463 HA CYS 53 HA CYS 53 -18.958 -0.374 1.152 464 HB2 CYS 53 2HB CYS 53 -16.009 -1.066 0.921 465 HB3 CYS 53 3HB CYS 53 -16.683 0.111 2.058 466 H LYS 54 H LYS 54 -19.538 1.459 0.306 467 HA LYS 54 HA LYS 54 -18.977 2.328 -2.275 468 HB2 LYS 54 2HB LYS 54 -21.048 2.853 -0.988 469 HB3 LYS 54 3HB LYS 54 -20.122 3.931 0.053 470 HG2 LYS 54 2HG LYS 54 -19.697 5.448 -1.818 471 HG3 LYS 54 3HG LYS 54 -20.475 4.328 -2.945 472 HD2 LYS 54 2HD LYS 54 -22.641 4.634 -1.752 473 HD3 LYS 54 3HD LYS 54 -21.864 5.760 -0.634 474 HE2 LYS 54 2HE LYS 54 -21.439 7.327 -2.454 475 HE3 LYS 54 3HE LYS 54 -22.080 6.184 -3.634 476 HZ1 LYS 54 3HZ LYS 54 -23.602 7.507 -1.458 477 HZ2 LYS 54 1HZ LYS 54 -24.229 6.336 -2.502 478 HZ3 LYS 54 2HZ LYS 54 -23.725 7.828 -3.114 479 H ARG 55 H ARG 55 -17.966 3.834 0.820 480 HA ARG 55 HA ARG 55 -15.561 4.960 -0.512 481 HB2 ARG 55 2HB ARG 55 -16.921 6.695 0.557 482 HB3 ARG 55 3HB ARG 55 -17.005 5.779 2.057 483 HG2 ARG 55 2HG ARG 55 -14.545 6.116 2.377 484 HG3 ARG 55 3HG ARG 55 -14.499 7.070 0.893 485 HD2 ARG 55 2HD ARG 55 -15.934 8.764 1.876 486 HD3 ARG 55 3HD ARG 55 -16.196 7.771 3.312 487 HE ARG 55 HE ARG 55 -13.423 8.324 2.972 488 HH11 ARG 55 1HH1 ARG 55 -16.413 9.834 4.074 489 HH12 ARG 55 2HH1 ARG 55 -15.604 10.950 5.125 490 HH21 ARG 55 1HH2 ARG 55 -12.385 9.831 4.344 491 HH22 ARG 55 2HH2 ARG 55 -13.329 10.948 5.276 492 H VAL 56 H VAL 56 -13.593 4.228 0.139 493 HA VAL 56 HA VAL 56 -13.368 2.520 2.555 494 HB VAL 56 HB VAL 56 -11.579 1.210 1.408 495 HG11 VAL 56 1HG1 VAL 56 -13.857 0.308 1.442 496 HG12 VAL 56 2HG1 VAL 56 -13.041 -0.146 -0.054 497 HG13 VAL 56 3HG1 VAL 56 -14.240 1.150 -0.062 498 HG21 VAL 56 3HG2 VAL 56 -11.263 1.334 -1.048 499 HG22 VAL 56 1HG2 VAL 56 -10.836 2.861 -0.272 500 HG23 VAL 56 2HG2 VAL 56 -12.371 2.706 -1.128 501 H ARG 57 H ARG 57 -11.723 3.018 3.922 502 HA ARG 57 HA ARG 57 -9.740 5.070 3.135 503 HB2 ARG 57 2HB ARG 57 -11.067 5.708 5.115 504 HB3 ARG 57 3HB ARG 57 -10.649 4.195 5.917 505 HG2 ARG 57 2HG ARG 57 -8.288 4.862 6.028 506 HG3 ARG 57 3HG ARG 57 -8.632 6.330 5.116 507 HD2 ARG 57 2HD ARG 57 -9.988 7.189 6.957 508 HD3 ARG 57 3HD ARG 57 -9.748 5.693 7.864 509 HE ARG 57 HE ARG 57 -7.226 6.412 7.547 510 HH11 ARG 57 1HH1 ARG 57 -9.941 8.485 8.416 511 HH12 ARG 57 2HH1 ARG 57 -8.956 9.590 9.322 512 HH21 ARG 57 1HH2 ARG 57 -5.951 7.876 8.717 513 HH22 ARG 57 2HH2 ARG 57 -6.691 9.241 9.489 514 H ILE 58 H ILE 58 -7.981 4.052 2.370 515 HA ILE 58 HA ILE 58 -7.035 1.521 3.579 516 HB ILE 58 HB ILE 58 -6.131 2.831 0.963 517 HG12 ILE 58 2HG1 ILE 58 -8.169 0.581 1.322 518 HG13 ILE 58 3HG1 ILE 58 -8.548 2.228 0.837 519 HG21 ILE 58 1HG2 ILE 58 -5.698 0.011 2.020 520 HG22 ILE 58 2HG2 ILE 58 -4.479 1.283 1.933 521 HG23 ILE 58 3HG2 ILE 58 -5.156 0.614 0.450 522 HD11 ILE 58 3HD1 ILE 58 -6.910 0.247 -0.749 523 HD12 ILE 58 1HD1 ILE 58 -7.270 1.909 -1.227 524 HD13 ILE 58 2HD1 ILE 58 -8.575 0.738 -1.059 525 H SER 59 H SER 59 -5.633 1.988 5.216 526 HA SER 59 HA SER 59 -3.743 4.257 4.997 527 HB2 SER 59 2HB SER 59 -4.758 2.850 7.520 528 HB3 SER 59 3HB SER 59 -3.768 4.312 7.455 529 HG SER 59 HG SER 59 -6.375 4.082 6.352 530 H ILE 60 H ILE 60 -1.920 3.381 4.161 531 HA ILE 60 HA ILE 60 -1.071 0.652 4.890 532 HB ILE 60 HB ILE 60 -0.248 2.470 2.581 533 HG12 ILE 60 2HG1 ILE 60 -1.882 -0.113 2.630 534 HG13 ILE 60 3HG1 ILE 60 -2.518 1.504 2.356 535 HG21 ILE 60 1HG2 ILE 60 0.721 -0.351 3.171 536 HG22 ILE 60 2HG2 ILE 60 1.691 1.119 3.260 537 HG23 ILE 60 3HG2 ILE 60 1.074 0.567 1.704 538 HD11 ILE 60 3HD1 ILE 60 -1.215 1.633 0.265 539 HD12 ILE 60 1HD1 ILE 60 -2.378 0.309 0.285 540 HD13 ILE 60 2HD1 ILE 60 -0.665 -0.026 0.530 541 H ARG 61 H ARG 61 0.373 0.516 6.467 542 HA ARG 61 HA ARG 61 2.194 2.737 7.132 543 HB2 ARG 61 2HB ARG 61 1.588 0.221 8.768 544 HB3 ARG 61 3HB ARG 61 2.373 1.697 9.326 545 HG2 ARG 61 2HG ARG 61 0.197 2.913 8.909 546 HG3 ARG 61 3HG ARG 61 -0.545 1.352 8.559 547 HD2 ARG 61 2HD ARG 61 0.756 2.128 11.191 548 HD3 ARG 61 3HD ARG 61 -0.980 2.130 10.868 549 HE ARG 61 HE ARG 61 0.152 -0.437 10.340 550 HH11 ARG 61 1HH1 ARG 61 -0.809 1.633 13.023 551 HH12 ARG 61 2HH1 ARG 61 -1.110 0.308 14.100 552 HH21 ARG 61 1HH2 ARG 61 -0.249 -2.172 11.772 553 HH22 ARG 61 2HH2 ARG 61 -0.793 -1.848 13.388 554 H VAL 62 H VAL 62 4.292 2.511 6.507 555 HA VAL 62 HA VAL 62 5.185 -0.053 5.375 556 HB VAL 62 HB VAL 62 5.475 1.989 3.969 557 HG11 VAL 62 1HG1 VAL 62 7.462 2.944 6.052 558 HG12 VAL 62 2HG1 VAL 62 5.887 3.679 5.726 559 HG13 VAL 62 3HG1 VAL 62 7.149 3.708 4.489 560 HG21 VAL 62 3HG2 VAL 62 7.830 1.624 3.310 561 HG22 VAL 62 1HG2 VAL 62 6.992 0.103 3.624 562 HG23 VAL 62 2HG2 VAL 62 8.114 0.752 4.819 563 H LYS 63 H LYS 63 6.613 -1.343 6.435 564 HA LYS 63 HA LYS 63 7.834 -0.380 8.923 565 HB2 LYS 63 2HB LYS 63 6.454 -2.631 8.619 566 HB3 LYS 63 3HB LYS 63 7.969 -3.259 7.997 567 HG2 LYS 63 2HG LYS 63 7.527 -2.076 10.760 568 HG3 LYS 63 3HG LYS 63 7.648 -3.794 10.388 569 HD2 LYS 63 2HD LYS 63 10.003 -3.547 9.774 570 HD3 LYS 63 3HD LYS 63 9.901 -1.791 9.923 571 HE2 LYS 63 2HE LYS 63 9.346 -2.138 12.373 572 HE3 LYS 63 3HE LYS 63 9.752 -3.841 12.150 573 HZ1 LYS 63 3HZ LYS 63 11.974 -3.193 11.501 574 HZ2 LYS 63 1HZ LYS 63 11.608 -2.550 13.019 575 HZ3 LYS 63 2HZ LYS 63 11.586 -1.557 11.650 576 H HIS 64 H HIS 64 9.840 0.205 8.878 577 HA HIS 64 HA HIS 64 11.673 -0.565 6.695 578 HB2 HIS 64 2HB HIS 64 12.837 1.665 7.436 579 HB3 HIS 64 3HB HIS 64 11.382 1.747 6.448 580 HD1 HIS 64 HD1 HIS 64 12.487 2.201 10.058 581 HD2 HIS 64 HD2 HIS 64 9.307 3.205 7.569 582 HE1 HIS 64 HE1 HIS 64 11.047 3.772 11.386 583 HE2 HIS 64 HE2 HIS 64 9.272 4.521 9.784 584 H SER 65 H SER 65 13.550 -1.509 7.238 585 HA SER 65 HA SER 65 13.846 -2.458 9.979 586 HB2 SER 65 2HB SER 65 15.356 -3.262 7.453 587 HB3 SER 65 3HB SER 65 15.329 -4.135 8.990 588 HG SER 65 HG SER 65 13.846 -5.091 7.651 589 H ASP 66 H ASP 66 16.044 -1.088 7.478 590 HA ASP 66 HA ASP 66 18.092 -0.562 9.496 591 HB2 ASP 66 2HB ASP 66 18.710 -1.564 7.281 592 HB3 ASP 66 3HB ASP 66 18.184 -0.086 6.479 593 H ALA 67 H ALA 67 18.628 1.408 10.264 594 HA ALA 67 HA ALA 67 16.663 3.487 10.061 595 HB1 ALA 67 3HB ALA 67 17.630 2.877 12.225 596 HB2 ALA 67 1HB ALA 67 17.911 4.584 11.869 597 HB3 ALA 67 2HB ALA 67 19.223 3.415 11.690 598 H ALA 68 H ALA 68 19.794 2.983 8.597 599 HA ALA 68 HA ALA 68 20.220 5.779 7.863 600 HB1 ALA 68 3HB ALA 68 22.142 4.280 8.292 601 HB2 ALA 68 1HB ALA 68 22.178 4.887 6.634 602 HB3 ALA 68 2HB ALA 68 21.644 3.236 6.960 603 H GLU 69 H GLU 69 19.074 2.780 6.301 604 HA GLU 69 HA GLU 69 18.838 3.837 3.677 605 HB2 GLU 69 2HB GLU 69 17.518 1.406 4.942 606 HB3 GLU 69 3HB GLU 69 17.355 1.820 3.237 607 HG2 GLU 69 2HG GLU 69 19.905 1.069 4.688 608 HG3 GLU 69 3HG GLU 69 19.032 0.106 3.497 609 H GLU 70 H GLU 70 16.506 3.432 6.315 610 HA GLU 70 HA GLU 70 14.117 3.524 4.962 611 HB2 GLU 70 2HB GLU 70 13.073 4.131 7.094 612 HB3 GLU 70 3HB GLU 70 14.323 2.914 7.314 613 HG2 GLU 70 2HG GLU 70 15.862 4.578 8.188 614 HG3 GLU 70 3HG GLU 70 14.707 5.875 7.867 615 H LYS 71 H LYS 71 16.106 6.258 5.786 616 HA LYS 71 HA LYS 71 14.181 8.323 5.748 617 HB2 LYS 71 2HB LYS 71 16.417 8.439 6.821 618 HB3 LYS 71 3HB LYS 71 17.178 8.412 5.236 619 HG2 LYS 71 2HG LYS 71 16.201 10.589 4.690 620 HG3 LYS 71 3HG LYS 71 15.313 10.600 6.213 621 HD2 LYS 71 2HD LYS 71 17.217 12.040 6.481 622 HD3 LYS 71 3HD LYS 71 17.524 10.588 7.432 623 HE2 LYS 71 2HE LYS 71 18.649 10.952 4.635 624 HE3 LYS 71 3HE LYS 71 19.489 11.533 6.067 625 HZ1 LYS 71 3HZ LYS 71 18.743 8.715 5.541 626 HZ2 LYS 71 1HZ LYS 71 19.567 9.290 6.900 627 HZ3 LYS 71 2HZ LYS 71 20.285 9.381 5.373 628 H LYS 72 H LYS 72 16.500 7.200 3.234 629 HA LYS 72 HA LYS 72 15.282 8.750 1.103 630 HB2 LYS 72 2HB LYS 72 17.671 8.208 0.984 631 HB3 LYS 72 3HB LYS 72 17.323 6.486 1.067 632 HG2 LYS 72 2HG LYS 72 16.124 6.691 -1.154 633 HG3 LYS 72 3HG LYS 72 16.661 8.366 -1.233 634 HD2 LYS 72 2HD LYS 72 18.574 6.010 -1.038 635 HD3 LYS 72 3HD LYS 72 18.024 6.679 -2.572 636 HE2 LYS 72 2HE LYS 72 20.169 7.630 -2.140 637 HE3 LYS 72 3HE LYS 72 18.993 8.904 -1.839 638 HZ1 LYS 72 3HZ LYS 72 20.771 8.778 -0.173 639 HZ2 LYS 72 1HZ LYS 72 20.240 7.240 0.283 640 HZ3 LYS 72 2HZ LYS 72 19.238 8.583 0.499 641 H GLU 73 H GLU 73 15.140 5.464 2.345 642 HA GLU 73 HA GLU 73 14.230 4.137 0.039 643 HB2 GLU 73 2HB GLU 73 15.395 3.158 2.120 644 HB3 GLU 73 3HB GLU 73 13.824 3.200 2.905 645 HG2 GLU 73 2HG GLU 73 14.202 0.968 2.121 646 HG3 GLU 73 3HG GLU 73 12.945 1.681 1.113 647 H ALA 74 H ALA 74 12.495 5.569 2.788 648 HA ALA 74 HA ALA 74 9.893 4.576 2.084 649 HB1 ALA 74 3HB ALA 74 10.645 6.832 3.966 650 HB2 ALA 74 1HB ALA 74 10.479 5.131 4.403 651 HB3 ALA 74 2HB ALA 74 9.067 6.041 3.866 652 H LYS 75 H LYS 75 11.618 7.650 1.574 653 HA LYS 75 HA LYS 75 9.536 9.068 0.265 654 HB2 LYS 75 2HB LYS 75 12.551 9.339 -0.102 655 HB3 LYS 75 3HB LYS 75 11.359 10.521 -0.640 656 HG2 LYS 75 2HG LYS 75 11.855 9.720 2.240 657 HG3 LYS 75 3HG LYS 75 12.493 11.169 1.457 658 HD2 LYS 75 2HD LYS 75 10.177 11.998 1.111 659 HD3 LYS 75 3HD LYS 75 9.537 10.547 1.889 660 HE2 LYS 75 2HE LYS 75 10.672 11.179 3.989 661 HE3 LYS 75 3HE LYS 75 11.320 12.623 3.208 662 HZ1 LYS 75 3HZ LYS 75 9.367 13.112 4.527 663 HZ2 LYS 75 1HZ LYS 75 8.445 12.025 3.614 664 HZ3 LYS 75 2HZ LYS 75 9.072 13.416 2.889 665 H LYS 76 H LYS 76 11.984 6.831 -0.931 666 HA LYS 76 HA LYS 76 11.336 7.140 -3.718 667 HB2 LYS 76 2HB LYS 76 13.593 6.388 -2.771 668 HB3 LYS 76 3HB LYS 76 12.841 4.833 -2.423 669 HG2 LYS 76 2HG LYS 76 12.355 4.532 -4.835 670 HG3 LYS 76 3HG LYS 76 13.107 6.098 -5.171 671 HD2 LYS 76 2HD LYS 76 15.250 5.176 -4.154 672 HD3 LYS 76 3HD LYS 76 14.461 3.593 -4.097 673 HE2 LYS 76 2HE LYS 76 14.157 3.696 -6.558 674 HE3 LYS 76 3HE LYS 76 15.002 5.244 -6.586 675 HZ1 LYS 76 3HZ LYS 76 16.150 2.671 -5.673 676 HZ2 LYS 76 1HZ LYS 76 16.963 4.153 -5.732 677 HZ3 LYS 76 2HZ LYS 76 16.450 3.409 -7.162 678 H PHE 77 H PHE 77 10.338 5.087 -1.047 679 HA PHE 77 HA PHE 77 8.811 3.199 -2.597 680 HB2 PHE 77 2HB PHE 77 9.848 2.739 -0.297 681 HB3 PHE 77 3HB PHE 77 8.592 3.750 0.399 682 HD1 PHE 77 HD1 PHE 77 8.931 0.804 -1.920 683 HD2 PHE 77 HD2 PHE 77 6.677 2.622 1.238 684 HE1 PHE 77 HE1 PHE 77 7.463 -1.162 -1.817 685 HE2 PHE 77 HE2 PHE 77 5.217 0.644 1.324 686 HZ PHE 77 HZ PHE 77 5.604 -1.247 -0.204 687 H ALA 78 H ALA 78 8.311 6.336 -1.192 688 HA ALA 78 HA ALA 78 5.480 6.496 -1.254 689 HB1 ALA 78 3HB ALA 78 5.808 8.933 -1.231 690 HB2 ALA 78 1HB ALA 78 7.516 8.726 -1.638 691 HB3 ALA 78 2HB ALA 78 6.902 8.153 -0.088 692 H ALA 79 H ALA 79 8.016 7.139 -3.660 693 HA ALA 79 HA ALA 79 6.373 7.905 -5.830 694 HB1 ALA 79 3HB ALA 79 8.344 7.403 -7.229 695 HB2 ALA 79 1HB ALA 79 9.112 6.588 -5.863 696 HB3 ALA 79 2HB ALA 79 8.795 8.324 -5.794 697 H ILE 80 H ILE 80 7.619 4.782 -4.719 698 HA ILE 80 HA ILE 80 6.737 3.138 -6.833 699 HB ILE 80 HB ILE 80 7.409 2.514 -3.925 700 HG12 ILE 80 2HG1 ILE 80 9.335 3.327 -5.128 701 HG13 ILE 80 3HG1 ILE 80 9.540 1.589 -4.972 702 HG21 ILE 80 1HG2 ILE 80 6.996 0.465 -6.123 703 HG22 ILE 80 2HG2 ILE 80 5.949 0.707 -4.729 704 HG23 ILE 80 3HG2 ILE 80 7.598 0.130 -4.499 705 HD11 ILE 80 3HD1 ILE 80 10.206 2.355 -7.160 706 HD12 ILE 80 1HD1 ILE 80 8.619 3.061 -7.446 707 HD13 ILE 80 2HD1 ILE 80 8.798 1.308 -7.299 708 H LEU 81 H LEU 81 5.232 3.950 -3.721 709 HA LEU 81 HA LEU 81 2.921 2.346 -3.943 710 HB2 LEU 81 2HB LEU 81 3.607 4.810 -2.314 711 HB3 LEU 81 3HB LEU 81 2.001 4.106 -2.231 712 HG LEU 81 HG LEU 81 4.508 2.506 -1.580 713 HD11 LEU 81 1HD1 LEU 81 4.413 4.412 -0.052 714 HD12 LEU 81 2HD1 LEU 81 4.060 2.905 0.790 715 HD13 LEU 81 3HD1 LEU 81 2.747 4.009 0.373 716 HD21 LEU 81 3HD2 LEU 81 2.527 1.156 -2.117 717 HD22 LEU 81 1HD2 LEU 81 1.581 2.028 -0.905 718 HD23 LEU 81 2HD2 LEU 81 2.940 1.013 -0.411 719 H ASN 82 H ASN 82 3.628 5.724 -4.790 720 HA ASN 82 HA ASN 82 0.985 6.546 -5.433 721 HB2 ASN 82 2HB ASN 82 3.099 7.986 -4.942 722 HB3 ASN 82 3HB ASN 82 3.509 7.765 -6.630 723 HD21 ASN 82 1HD2 ASN 82 0.680 8.053 -7.588 724 HD22 ASN 82 2HD2 ASN 82 0.326 9.720 -7.395 725 H LYS 83 H LYS 83 3.616 5.124 -7.374 726 HA LYS 83 HA LYS 83 2.366 5.274 -9.916 727 HB2 LYS 83 2HB LYS 83 4.518 3.396 -8.867 728 HB3 LYS 83 3HB LYS 83 3.974 3.383 -10.542 729 HG2 LYS 83 2HG LYS 83 5.365 5.665 -9.101 730 HG3 LYS 83 3HG LYS 83 6.043 4.640 -10.365 731 HD2 LYS 83 2HD LYS 83 3.770 6.646 -10.697 732 HD3 LYS 83 3HD LYS 83 5.426 6.838 -11.268 733 HE2 LYS 83 2HE LYS 83 5.123 4.946 -12.823 734 HE3 LYS 83 3HE LYS 83 3.476 4.715 -12.234 735 HZ1 LYS 83 3HZ LYS 83 3.579 5.952 -14.321 736 HZ2 LYS 83 1HZ LYS 83 4.467 7.176 -13.560 737 HZ3 LYS 83 2HZ LYS 83 2.877 6.856 -13.080 738 H VAL 84 H VAL 84 2.282 2.825 -7.355 739 HA VAL 84 HA VAL 84 0.923 0.783 -8.806 740 HB VAL 84 HB VAL 84 1.234 1.305 -5.817 741 HG11 VAL 84 1HG1 VAL 84 0.033 -1.158 -7.134 742 HG12 VAL 84 2HG1 VAL 84 -0.810 -0.021 -6.082 743 HG13 VAL 84 3HG1 VAL 84 0.476 -1.038 -5.432 744 HG21 VAL 84 3HG2 VAL 84 2.887 -0.514 -5.924 745 HG22 VAL 84 1HG2 VAL 84 3.310 0.781 -7.044 746 HG23 VAL 84 2HG2 VAL 84 2.583 -0.708 -7.649 747 H PHE 85 H PHE 85 -0.166 3.309 -6.587 748 HA PHE 85 HA PHE 85 -2.927 2.788 -6.632 749 HB2 PHE 85 2HB PHE 85 -1.511 5.461 -6.212 750 HB3 PHE 85 3HB PHE 85 -3.219 5.170 -5.879 751 HD1 PHE 85 HD1 PHE 85 -3.247 2.562 -4.528 752 HD2 PHE 85 HD2 PHE 85 -0.461 5.785 -4.104 753 HE1 PHE 85 HE1 PHE 85 -2.675 1.783 -2.265 754 HE2 PHE 85 HE2 PHE 85 0.105 4.993 -1.850 755 HZ PHE 85 HZ PHE 85 -0.995 2.996 -0.928 756 H ALA 86 H ALA 86 -0.882 4.758 -8.764 757 HA ALA 86 HA ALA 86 -2.899 5.794 -10.468 758 HB1 ALA 86 3HB ALA 86 0.034 5.276 -11.051 759 HB2 ALA 86 1HB ALA 86 -0.645 6.752 -10.355 760 HB3 ALA 86 2HB ALA 86 -1.045 6.294 -12.010 761 H GLU 87 H GLU 87 -1.175 2.735 -10.399 762 HA GLU 87 HA GLU 87 -1.960 1.820 -13.021 763 HB2 GLU 87 2HB GLU 87 -0.719 0.380 -10.636 764 HB3 GLU 87 3HB GLU 87 -1.071 -0.420 -12.164 765 HG2 GLU 87 2HG GLU 87 0.846 1.903 -11.799 766 HG3 GLU 87 3HG GLU 87 1.304 0.211 -11.959 767 H LEU 88 H LEU 88 -3.512 1.972 -9.955 768 HA LEU 88 HA LEU 88 -5.464 -0.147 -10.662 769 HB2 LEU 88 2HB LEU 88 -4.736 0.918 -7.905 770 HB3 LEU 88 3HB LEU 88 -5.969 -0.291 -8.236 771 HG LEU 88 HG LEU 88 -2.963 -0.619 -8.613 772 HD11 LEU 88 1HD1 LEU 88 -3.698 -0.759 -6.284 773 HD12 LEU 88 2HD1 LEU 88 -3.110 -2.308 -6.875 774 HD13 LEU 88 3HD1 LEU 88 -4.847 -2.033 -6.708 775 HD21 LEU 88 3HD2 LEU 88 -5.137 -2.640 -9.266 776 HD22 LEU 88 1HD2 LEU 88 -3.396 -2.944 -9.289 777 HD23 LEU 88 2HD2 LEU 88 -4.103 -1.802 -10.427 778 H GLY 89 H GLY 89 -5.180 2.973 -11.147 779 HA2 GLY 89 2HA GLY 89 -6.818 4.376 -11.969 780 HA3 GLY 89 3HA GLY 89 -8.055 3.305 -11.344 781 H TYR 90 H TYR 90 -5.562 4.550 -9.274 782 HA TYR 90 HA TYR 90 -7.373 6.556 -8.053 783 HB2 TYR 90 2HB TYR 90 -4.853 5.418 -6.761 784 HB3 TYR 90 3HB TYR 90 -6.156 6.305 -5.984 785 HD1 TYR 90 HD2 TYR 90 -8.606 4.926 -6.589 786 HD2 TYR 90 HD1 TYR 90 -4.734 3.223 -5.942 787 HE1 TYR 90 HE2 TYR 90 -9.639 2.804 -5.897 788 HE2 TYR 90 HE1 TYR 90 -5.767 1.109 -5.249 789 HH TYR 90 HH TYR 90 -7.912 0.317 -4.354 790 H ASN 91 H ASN 91 -6.489 8.662 -7.707 791 HA ASN 91 HA ASN 91 -4.213 9.349 -9.469 792 HB2 ASN 91 2HB ASN 91 -6.531 11.031 -8.431 793 HB3 ASN 91 3HB ASN 91 -5.183 11.696 -9.344 794 HD21 ASN 91 1HD2 ASN 91 -4.880 9.565 -11.238 795 HD22 ASN 91 2HD2 ASN 91 -6.267 9.596 -12.262 796 H ASP 92 H ASP 92 -3.102 11.464 -8.727 797 HA ASP 92 HA ASP 92 -1.469 10.742 -6.529 798 HB2 ASP 92 2HB ASP 92 -1.617 13.442 -7.944 799 HB3 ASP 92 3HB ASP 92 -0.261 12.838 -6.995 800 H SER 93 H SER 93 -4.074 13.072 -6.914 801 HA SER 93 HA SER 93 -3.691 14.669 -4.644 802 HB2 SER 93 2HB SER 93 -6.312 14.096 -6.084 803 HB3 SER 93 3HB SER 93 -5.964 15.501 -5.070 804 HG SER 93 HG SER 93 -5.610 16.173 -7.119 805 H ASN 94 H ASN 94 -5.517 11.618 -4.997 806 HA ASN 94 HA ASN 94 -6.509 11.729 -2.246 807 HB2 ASN 94 2HB ASN 94 -7.627 9.589 -2.736 808 HB3 ASN 94 3HB ASN 94 -7.990 10.787 -3.968 809 HD21 ASN 94 1HD2 ASN 94 -6.072 7.913 -3.268 810 HD22 ASN 94 2HD2 ASN 94 -5.866 7.432 -4.914 811 H VAL 95 H VAL 95 -3.570 10.976 -3.536 812 HA VAL 95 HA VAL 95 -2.874 8.922 -1.527 813 HB VAL 95 HB VAL 95 -1.206 10.013 -3.855 814 HG11 VAL 95 1HG1 VAL 95 0.204 9.192 -1.998 815 HG12 VAL 95 2HG1 VAL 95 0.337 8.136 -3.405 816 HG13 VAL 95 3HG1 VAL 95 -0.648 7.644 -2.025 817 HG21 VAL 95 3HG2 VAL 95 -2.690 7.364 -3.651 818 HG22 VAL 95 1HG2 VAL 95 -1.637 7.856 -4.981 819 HG23 VAL 95 2HG2 VAL 95 -3.143 8.726 -4.677 820 H THR 96 H THR 96 -2.414 9.883 0.392 821 HA THR 96 HA THR 96 -0.669 12.277 0.478 822 HB THR 96 HB THR 96 -3.226 11.977 2.132 823 HG1 THR 96 HG1 THR 96 -2.676 13.356 -0.278 824 HG21 THR 96 3HG2 THR 96 -1.478 13.323 3.266 825 HG22 THR 96 1HG2 THR 96 -2.837 14.334 2.765 826 HG23 THR 96 2HG2 THR 96 -1.338 14.343 1.834 827 H TRP 97 H TRP 97 0.857 12.143 2.052 828 HA TRP 97 HA TRP 97 1.010 9.714 3.666 829 HB2 TRP 97 2HB TRP 97 3.019 11.836 2.882 830 HB3 TRP 97 3HB TRP 97 3.358 10.781 4.252 831 HD1 TRP 97 HD1 TRP 97 2.761 10.569 0.433 832 HE1 TRP 97 HE1 TRP 97 3.800 8.376 -0.405 833 HE3 TRP 97 HE3 TRP 97 4.090 8.508 4.926 834 HZ2 TRP 97 HZ2 TRP 97 5.018 6.074 0.680 835 HZ3 TRP 97 HZ3 TRP 97 5.184 6.296 4.942 836 HH2 TRP 97 HH2 TRP 97 5.639 5.102 2.853 837 H ASP 98 H ASP 98 1.530 9.715 5.822 838 HA ASP 98 HA ASP 98 0.945 11.947 7.596 839 HB2 ASP 98 2HB ASP 98 -1.296 10.911 7.013 840 HB3 ASP 98 3HB ASP 98 -0.703 9.355 7.577 841 H GLY 99 H GLY 99 3.195 11.563 7.957 842 HA2 GLY 99 2HA GLY 99 4.984 10.775 9.141 843 HA3 GLY 99 3HA GLY 99 3.909 9.651 9.963 844 H ASP 100 H ASP 100 4.384 7.571 9.608 845 HA ASP 100 HA ASP 100 5.819 6.692 7.175 846 HB2 ASP 100 2HB ASP 100 5.245 5.189 9.779 847 HB3 ASP 100 3HB ASP 100 6.166 4.542 8.425 848 H THR 101 H THR 101 2.766 7.287 7.693 849 HA THR 101 HA THR 101 1.684 4.804 6.474 850 HB THR 101 HB THR 101 0.238 6.819 8.266 851 HG1 THR 101 HG1 THR 101 1.866 4.985 9.032 852 HG21 THR 101 3HG2 THR 101 -1.299 5.774 6.619 853 HG22 THR 101 1HG2 THR 101 -1.633 5.201 8.257 854 HG23 THR 101 2HG2 THR 101 -0.754 4.174 7.126 855 H VAL 102 H VAL 102 0.964 5.128 4.396 856 HA VAL 102 HA VAL 102 0.216 7.847 3.522 857 HB VAL 102 HB VAL 102 1.777 6.646 2.017 858 HG11 VAL 102 1HG1 VAL 102 1.099 4.686 0.688 859 HG12 VAL 102 2HG1 VAL 102 -0.410 4.584 1.596 860 HG13 VAL 102 3HG1 VAL 102 1.129 4.313 2.415 861 HG21 VAL 102 3HG2 VAL 102 0.564 7.030 -0.106 862 HG22 VAL 102 1HG2 VAL 102 0.255 8.314 1.067 863 HG23 VAL 102 2HG2 VAL 102 -0.963 7.070 0.779 864 H THR 103 H THR 103 -1.881 8.361 3.690 865 HA THR 103 HA THR 103 -3.905 6.254 4.025 866 HB THR 103 HB THR 103 -4.293 9.222 4.593 867 HG1 THR 103 HG1 THR 103 -2.466 7.917 5.774 868 HG21 THR 103 3HG2 THR 103 -5.618 6.719 5.726 869 HG22 THR 103 1HG2 THR 103 -6.337 7.797 4.520 870 HG23 THR 103 2HG2 THR 103 -6.022 8.381 6.153 871 H VAL 104 H VAL 104 -4.779 5.748 2.157 872 HA VAL 104 HA VAL 104 -5.370 7.748 0.065 873 HB VAL 104 HB VAL 104 -4.722 4.763 -0.176 874 HG11 VAL 104 1HG1 VAL 104 -6.406 5.372 -1.873 875 HG12 VAL 104 2HG1 VAL 104 -4.844 5.062 -2.634 876 HG13 VAL 104 3HG1 VAL 104 -5.401 6.722 -2.407 877 HG21 VAL 104 3HG2 VAL 104 -2.708 5.520 -1.386 878 HG22 VAL 104 1HG2 VAL 104 -2.743 6.156 0.260 879 HG23 VAL 104 2HG2 VAL 104 -3.162 7.200 -1.101 880 H GLU 105 H GLU 105 -7.504 8.206 0.158 881 HA GLU 105 HA GLU 105 -9.456 6.044 0.709 882 HB2 GLU 105 2HB GLU 105 -9.877 9.050 0.981 883 HB3 GLU 105 3HB GLU 105 -11.051 7.790 1.362 884 HG2 GLU 105 2HG GLU 105 -9.339 6.944 3.087 885 HG3 GLU 105 3HG GLU 105 -8.496 8.475 2.839 886 H GLY 106 H GLY 106 -11.295 5.924 -0.599 887 HA2 GLY 106 2HA GLY 106 -11.774 7.674 -2.805 888 HA3 GLY 106 3HA GLY 106 -11.010 6.172 -3.322 889 H GLN 107 H GLN 107 -13.796 7.386 -3.643 890 HA GLN 107 HA GLN 107 -15.549 5.377 -2.632 891 HB2 GLN 107 2HB GLN 107 -16.545 7.469 -3.358 892 HB3 GLN 107 3HB GLN 107 -15.876 7.299 -4.980 893 HG2 GLN 107 2HG GLN 107 -17.319 5.316 -5.373 894 HG3 GLN 107 3HG GLN 107 -17.970 5.465 -3.743 895 HE21 GLN 107 1HE2 GLN 107 -20.054 5.563 -4.699 896 HE22 GLN 107 2HE2 GLN 107 -20.640 7.023 -5.412 897 H LEU 108 H LEU 108 -15.082 3.311 -3.087 898 HA LEU 108 HA LEU 108 -14.363 2.385 -5.747 899 HB2 LEU 108 2HB LEU 108 -13.489 1.171 -3.806 900 HB3 LEU 108 3HB LEU 108 -15.109 0.954 -3.165 901 HG LEU 108 HG LEU 108 -15.632 -0.492 -5.192 902 HD11 LEU 108 1HD1 LEU 108 -13.792 -1.450 -6.480 903 HD12 LEU 108 2HD1 LEU 108 -12.639 -0.393 -5.661 904 HD13 LEU 108 3HD1 LEU 108 -13.884 0.295 -6.708 905 HD21 LEU 108 3HD2 LEU 108 -15.145 -1.409 -2.983 906 HD22 LEU 108 1HD2 LEU 108 -13.426 -1.472 -3.376 907 HD23 LEU 108 2HD2 LEU 108 -14.581 -2.461 -4.274 908 H GLU 109 H GLU 109 -16.007 2.986 -7.061 909 HA GLU 109 HA GLU 109 -18.032 3.256 -8.033 910 HB2 GLU 109 2HB GLU 109 -17.282 1.162 -8.928 911 HB3 GLU 109 3HB GLU 109 -17.828 0.278 -7.514 912 HG2 GLU 109 2HG GLU 109 -19.250 -0.093 -9.534 913 HG3 GLU 109 3HG GLU 109 -20.142 0.536 -8.149 914 H GLY 110 H GLY 110 -19.013 0.751 -5.706 915 HA2 GLY 110 2HA GLY 110 -20.604 1.328 -3.882 916 HA3 GLY 110 3HA GLY 110 -21.496 2.258 -5.086 917 H VAL 111 H VAL 111 -19.883 -0.810 -5.622 918 HA VAL 111 HA VAL 111 -22.044 -1.994 -6.986 919 HB VAL 111 HB VAL 111 -20.637 -4.186 -6.717 920 HG11 VAL 111 1HG1 VAL 111 -19.388 -1.787 -8.114 921 HG12 VAL 111 2HG1 VAL 111 -20.664 -2.810 -8.777 922 HG13 VAL 111 3HG1 VAL 111 -19.062 -3.486 -8.472 923 HG21 VAL 111 3HG2 VAL 111 -18.613 -2.174 -5.641 924 HG22 VAL 111 1HG2 VAL 111 -18.251 -3.838 -6.116 925 HG23 VAL 111 2HG2 VAL 111 -19.314 -3.523 -4.745 926 H ASP 112 H ASP 112 -23.850 -1.988 -5.791 927 HA ASP 112 HA ASP 112 -24.164 -4.114 -3.769 928 HB2 ASP 112 2HB ASP 112 -24.136 -1.903 -2.599 929 HB3 ASP 112 3HB ASP 112 -25.434 -1.331 -3.643 930 H LEU 113 H LEU 113 -25.136 -5.543 -5.070 931 HA LEU 113 HA LEU 113 -27.030 -4.783 -7.143 932 HB2 LEU 113 2HB LEU 113 -25.867 -7.480 -6.341 933 HB3 LEU 113 3HB LEU 113 -26.860 -7.191 -7.761 934 HG LEU 113 HG LEU 113 -24.122 -5.927 -7.299 935 HD11 LEU 113 1HD1 LEU 113 -23.886 -8.334 -7.601 936 HD12 LEU 113 2HD1 LEU 113 -23.266 -7.464 -9.001 937 HD13 LEU 113 3HD1 LEU 113 -24.836 -8.268 -9.087 938 HD21 LEU 113 3HD2 LEU 113 -24.258 -5.249 -9.666 939 HD22 LEU 113 1HD2 LEU 113 -25.564 -4.542 -8.716 940 HD23 LEU 113 2HD2 LEU 113 -25.890 -5.920 -9.772 941 H GLU 114 H GLU 114 -28.994 -4.329 -6.384 942 HA GLU 114 HA GLU 114 -30.003 -5.321 -3.896 943 HB2 GLU 114 2HB GLU 114 -31.991 -3.844 -4.440 944 HB3 GLU 114 3HB GLU 114 -30.433 -3.030 -4.401 945 HG2 GLU 114 2HG GLU 114 -30.365 -3.150 -6.906 946 HG3 GLU 114 3HG GLU 114 -31.994 -3.822 -6.883 947 H HIS 115 H HIS 115 -31.201 -5.697 -7.276 948 HA HIS 115 HA HIS 115 -32.710 -8.119 -6.431 949 HB2 HIS 115 2HB HIS 115 -34.206 -6.304 -7.167 950 HB3 HIS 115 3HB HIS 115 -33.341 -6.173 -8.693 951 HD1 HIS 115 HD1 HIS 115 -34.654 -7.228 -10.535 952 HD2 HIS 115 HD2 HIS 115 -35.257 -9.205 -6.918 953 HE1 HIS 115 HE1 HIS 115 -36.301 -9.059 -11.023 954 HE2 HIS 115 HE2 HIS 115 -36.587 -10.288 -8.848 955 H HIS 116 H HIS 116 -30.562 -6.667 -8.808 956 HA HIS 116 HA HIS 116 -30.190 -9.104 -10.343 957 HB2 HIS 116 2HB HIS 116 -28.803 -6.387 -10.397 958 HB3 HIS 116 3HB HIS 116 -28.321 -7.722 -11.435 959 HD1 HIS 116 HD1 HIS 116 -30.211 -4.771 -11.618 960 HD2 HIS 116 HD2 HIS 116 -30.820 -8.650 -12.964 961 HE1 HIS 116 HE1 HIS 116 -31.870 -4.588 -13.489 962 HE2 HIS 116 HE2 HIS 116 -32.363 -6.960 -14.136 963 H HIS 117 H HIS 117 -29.756 -10.103 -8.044 964 HA HIS 117 HA HIS 117 -27.571 -9.501 -6.438 965 HB2 HIS 117 2HB HIS 117 -27.926 -11.735 -5.401 966 HB3 HIS 117 3HB HIS 117 -29.438 -10.875 -5.646 967 HD1 HIS 117 HD1 HIS 117 -31.141 -11.899 -7.320 968 HD2 HIS 117 HD2 HIS 117 -27.635 -14.105 -6.941 969 HE1 HIS 117 HE1 HIS 117 -31.609 -14.116 -8.398 970 HE2 HIS 117 HE2 HIS 117 -29.555 -15.488 -7.958 971 H HIS 118 H HIS 118 -25.580 -10.576 -6.034 972 HA HIS 118 HA HIS 118 -24.014 -11.037 -8.360 973 HB2 HIS 118 2HB HIS 118 -23.072 -9.970 -6.336 974 HB3 HIS 118 3HB HIS 118 -23.318 -11.452 -5.417 975 HD1 HIS 118 HD1 HIS 118 -21.203 -10.077 -8.253 976 HD2 HIS 118 HD2 HIS 118 -21.243 -13.284 -5.614 977 HE1 HIS 118 HE1 HIS 118 -19.003 -11.239 -8.566 978 HE2 HIS 118 HE2 HIS 118 -19.132 -13.265 -7.092 979 H HIS 119 H HIS 119 -24.478 -12.806 -9.514 980 HA HIS 119 HA HIS 119 -24.947 -15.454 -8.522 981 HB2 HIS 119 2HB HIS 119 -24.209 -14.357 -11.269 982 HB3 HIS 119 3HB HIS 119 -24.389 -16.083 -10.985 983 HD1 HIS 119 HD1 HIS 119 -26.621 -16.930 -11.570 984 HD2 HIS 119 HD2 HIS 119 -26.783 -12.951 -10.391 985 HE1 HIS 119 HE1 HIS 119 -29.015 -16.243 -11.832 986 HE2 HIS 119 HE2 HIS 119 -29.055 -13.798 -11.260 987 H HIS 120 H HIS 120 -23.422 -17.291 -9.373 988 HA HIS 120 HA HIS 120 -20.978 -17.137 -7.967 989 HB2 HIS 120 2HB HIS 120 -22.180 -19.268 -8.294 990 HB3 HIS 120 3HB HIS 120 -21.870 -19.203 -10.028 991 HD1 HIS 120 HD1 HIS 120 -20.021 -19.587 -6.732 992 HD2 HIS 120 HD2 HIS 120 -19.411 -20.270 -10.790 993 HE1 HIS 120 HE1 HIS 120 -17.843 -20.829 -6.897 994 HE2 HIS 120 HE2 HIS 120 -17.460 -21.152 -9.360
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