NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634967 | 6c8u | 30398 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET -3 H1 MET -3 -2.456 24.597 34.069 2 H2 MET -3 H2 MET -3 -3.957 25.319 34.358 3 H3 MET -3 H3 MET -3 -2.622 25.736 35.308 4 HA MET -3 HA MET -3 -3.107 27.463 33.707 5 HB2 MET -3 HB2 MET -3 -0.671 26.442 34.335 6 HB3 MET -3 HB3 MET -3 -0.625 26.314 32.583 7 HG2 MET -3 HG2 MET -3 0.361 28.391 33.244 8 HG3 MET -3 HG3 MET -3 -1.167 28.717 32.428 9 HE1 MET -3 HE1 MET -3 -1.076 31.216 33.411 10 HE2 MET -3 HE2 MET -3 0.434 30.835 34.238 11 HE3 MET -3 HE3 MET -3 -0.897 31.574 35.129 12 H HIS -2 H HIS -2 -2.418 24.323 32.214 13 HA HIS -2 HA HIS -2 -3.614 25.300 29.702 14 HB2 HIS -2 HB2 HIS -2 -1.472 23.230 30.182 15 HB3 HIS -2 HB3 HIS -2 -2.342 23.347 28.656 16 HD1 HIS -2 HD1 HIS -2 0.436 24.828 30.555 17 HD2 HIS -2 HD2 HIS -2 -1.852 25.802 27.225 18 HE1 HIS -2 HE1 HIS -2 1.708 26.648 29.373 19 HE2 HIS -2 HE2 HIS -2 0.306 27.223 27.360 20 H HIS -1 H HIS -1 -5.289 24.209 28.822 21 HA HIS -1 HA HIS -1 -6.304 21.872 30.304 22 HB2 HIS -1 HB2 HIS -1 -7.739 24.131 28.924 23 HB3 HIS -1 HB3 HIS -1 -8.550 22.612 29.289 24 HD1 HIS -1 HD1 HIS -1 -6.615 25.306 31.157 25 HD2 HIS -1 HD2 HIS -1 -9.680 22.562 31.747 26 HE1 HIS -1 HE1 HIS -1 -7.480 25.752 33.476 27 HE2 HIS -1 HE2 HIS -1 -9.335 24.081 33.812 28 H HIS 0 H HIS 0 -7.122 20.122 29.185 29 HA HIS 0 HA HIS 0 -6.259 19.906 26.390 30 HB2 HIS 0 HB2 HIS 0 -6.841 17.866 28.529 31 HB3 HIS 0 HB3 HIS 0 -6.714 17.410 26.834 32 HD1 HIS 0 HD1 HIS 0 -4.683 18.349 29.788 33 HD2 HIS 0 HD2 HIS 0 -4.104 17.659 25.731 34 HE1 HIS 0 HE1 HIS 0 -2.197 18.102 29.495 35 HE2 HIS 0 HE2 HIS 0 -1.870 17.684 27.032 36 H HIS 1 H HIS 1 -7.639 19.469 24.745 37 HA HIS 1 HA HIS 1 -10.501 19.648 25.348 38 HB2 HIS 1 HB2 HIS 1 -9.117 21.107 23.606 39 HB3 HIS 1 HB3 HIS 1 -9.466 19.742 22.551 40 HD1 HIS 1 HD1 HIS 1 -11.871 19.475 21.721 41 HD2 HIS 1 HD2 HIS 1 -11.377 22.626 24.385 42 HE1 HIS 1 HE1 HIS 1 -14.008 20.797 21.603 43 HE2 HIS 1 HE2 HIS 1 -13.687 22.699 23.224 44 H HIS 2 H HIS 2 -11.953 18.115 24.794 45 HA HIS 2 HA HIS 2 -10.967 15.680 23.460 46 HB2 HIS 2 HB2 HIS 2 -12.722 15.898 25.909 47 HB3 HIS 2 HB3 HIS 2 -12.598 14.424 24.955 48 HD1 HIS 2 HD1 HIS 2 -10.960 16.285 27.644 49 HD2 HIS 2 HD2 HIS 2 -9.935 13.261 24.985 50 HE1 HIS 2 HE1 HIS 2 -8.873 15.242 28.584 51 HE2 HIS 2 HE2 HIS 2 -8.271 13.413 26.959 52 H HIS 3 H HIS 3 -12.385 14.629 22.089 53 HA HIS 3 HA HIS 3 -14.655 16.235 21.178 54 HB2 HIS 3 HB2 HIS 3 -13.134 13.948 19.919 55 HB3 HIS 3 HB3 HIS 3 -14.604 14.617 19.219 56 HD1 HIS 3 HD1 HIS 3 -14.351 16.656 17.785 57 HD2 HIS 3 HD2 HIS 3 -10.938 15.851 20.015 58 HE1 HIS 3 HE1 HIS 3 -12.604 18.258 16.944 59 HE2 HIS 3 HE2 HIS 3 -10.546 17.754 18.308 60 H SER 4 H SER 4 -16.736 15.460 21.016 61 HA SER 4 HA SER 4 -17.304 13.019 22.563 62 HB2 SER 4 HB2 SER 4 -19.576 14.037 22.900 63 HB3 SER 4 HB3 SER 4 -18.255 14.960 23.616 64 HG SER 4 HG SER 4 -18.318 16.238 21.630 65 H THR 5 H THR 5 -18.011 14.718 19.558 66 HA THR 5 HA THR 5 -19.727 12.534 18.661 67 HB THR 5 HB THR 5 -20.688 14.663 18.180 68 HG1 THR 5 HG1 THR 5 -20.272 14.582 15.665 69 HG21 THR 5 HG21 THR 5 -18.147 15.433 16.729 70 HG22 THR 5 HG22 THR 5 -18.686 16.081 18.278 71 HG23 THR 5 HG23 THR 5 -19.622 16.397 16.817 72 H SER 6 H SER 6 -18.411 10.845 18.248 73 HA SER 6 HA SER 6 -16.472 11.165 16.055 74 HB2 SER 6 HB2 SER 6 -15.085 9.391 17.165 75 HB3 SER 6 HB3 SER 6 -15.169 10.904 18.065 76 HG SER 6 HG SER 6 -16.535 8.480 18.585 77 H VAL 7 H VAL 7 -16.850 9.910 14.368 78 HA VAL 7 HA VAL 7 -18.644 7.591 14.676 79 HB VAL 7 HB VAL 7 -18.026 9.020 12.077 80 HG11 VAL 7 HG11 VAL 7 -20.290 7.175 12.848 81 HG12 VAL 7 HG12 VAL 7 -18.909 6.751 11.835 82 HG13 VAL 7 HG13 VAL 7 -20.078 7.949 11.277 83 HG21 VAL 7 HG21 VAL 7 -20.383 9.493 13.902 84 HG22 VAL 7 HG22 VAL 7 -20.172 10.177 12.291 85 HG23 VAL 7 HG23 VAL 7 -19.069 10.627 13.591 86 H ASP 8 H ASP 8 -15.626 8.713 13.204 87 HA ASP 8 HA ASP 8 -14.938 6.127 12.122 88 HB2 ASP 8 HB2 ASP 8 -13.484 8.765 12.268 89 HB3 ASP 8 HB3 ASP 8 -12.735 7.312 11.615 90 H LEU 9 H LEU 9 -12.990 4.959 12.660 91 HA LEU 9 HA LEU 9 -12.652 4.646 15.500 92 HB2 LEU 9 HB2 LEU 9 -11.074 2.799 14.816 93 HB3 LEU 9 HB3 LEU 9 -12.734 2.629 14.288 94 HG LEU 9 HG LEU 9 -11.706 3.780 12.083 95 HD11 LEU 9 HD11 LEU 9 -9.438 2.095 13.116 96 HD12 LEU 9 HD12 LEU 9 -9.440 3.858 13.130 97 HD13 LEU 9 HD13 LEU 9 -9.510 2.987 11.598 98 HD21 LEU 9 HD21 LEU 9 -11.515 1.508 11.155 99 HD22 LEU 9 HD22 LEU 9 -12.974 1.719 12.122 100 HD23 LEU 9 HD23 LEU 9 -11.592 0.851 12.789 101 H GLY 10 H GLY 10 -10.562 4.556 16.584 102 HA2 GLY 10 HA2 GLY 10 -8.528 6.335 15.406 103 HA3 GLY 10 HA3 GLY 10 -9.123 6.621 17.034 104 H THR 11 H THR 11 -7.647 4.092 15.029 105 HA THR 11 HA THR 11 -5.912 3.384 17.290 106 HB THR 11 HB THR 11 -7.604 1.677 17.344 107 HG1 THR 11 HG1 THR 11 -5.028 1.144 16.805 108 HG21 THR 11 HG21 THR 11 -7.950 0.129 15.397 109 HG22 THR 11 HG22 THR 11 -7.060 1.280 14.400 110 HG23 THR 11 HG23 THR 11 -8.576 1.761 15.161 111 H GLU 12 H GLU 12 -6.097 4.366 14.143 112 HA GLU 12 HA GLU 12 -3.623 3.068 13.301 113 HB2 GLU 12 HB2 GLU 12 -4.214 3.884 11.047 114 HB3 GLU 12 HB3 GLU 12 -5.426 2.832 11.750 115 HG2 GLU 12 HG2 GLU 12 -6.849 4.705 12.233 116 HG3 GLU 12 HG3 GLU 12 -5.606 5.832 11.695 117 H ASN 13 H ASN 13 -5.011 6.173 13.881 118 HA ASN 13 HA ASN 13 -2.893 7.756 12.836 119 HB2 ASN 13 HB2 ASN 13 -5.399 8.320 13.237 120 HB3 ASN 13 HB3 ASN 13 -4.872 8.752 14.850 121 HD21 ASN 13 HD21 ASN 13 -6.017 10.191 12.627 122 HD22 ASN 13 HD22 ASN 13 -4.955 11.490 12.339 123 H LEU 14 H LEU 14 -2.895 5.907 15.637 124 HA LEU 14 HA LEU 14 -1.336 7.805 17.214 125 HB2 LEU 14 HB2 LEU 14 -2.054 4.972 17.933 126 HB3 LEU 14 HB3 LEU 14 -1.388 6.186 19.006 127 HG LEU 14 HG LEU 14 -3.643 7.451 18.241 128 HD11 LEU 14 HD11 LEU 14 -4.134 5.270 16.922 129 HD12 LEU 14 HD12 LEU 14 -5.426 6.041 17.847 130 HD13 LEU 14 HD13 LEU 14 -4.588 4.635 18.505 131 HD21 LEU 14 HD21 LEU 14 -4.612 6.689 20.358 132 HD22 LEU 14 HD22 LEU 14 -2.904 7.094 20.536 133 HD23 LEU 14 HD23 LEU 14 -3.406 5.405 20.446 134 H TYR 15 H TYR 15 -0.964 4.810 15.515 135 HA TYR 15 HA TYR 15 1.806 4.428 16.254 136 HB2 TYR 15 HB2 TYR 15 -0.044 2.990 14.349 137 HB3 TYR 15 HB3 TYR 15 1.658 2.567 14.508 138 HD1 TYR 15 HD1 TYR 15 -1.602 2.607 16.214 139 HD2 TYR 15 HD2 TYR 15 2.477 1.421 16.462 140 HE1 TYR 15 HE1 TYR 15 -2.136 1.198 18.158 141 HE2 TYR 15 HE2 TYR 15 1.953 0.006 18.403 142 HH TYR 15 HH TYR 15 -1.229 -0.758 19.320 143 H PHE 16 H PHE 16 3.585 5.050 15.147 144 HA PHE 16 HA PHE 16 3.370 5.986 12.415 145 HB2 PHE 16 HB2 PHE 16 3.946 7.664 14.756 146 HB3 PHE 16 HB3 PHE 16 5.100 7.847 13.440 147 HD1 PHE 16 HD1 PHE 16 4.447 8.810 11.337 148 HD2 PHE 16 HD2 PHE 16 1.615 8.294 14.472 149 HE1 PHE 16 HE1 PHE 16 2.877 10.293 10.158 150 HE2 PHE 16 HE2 PHE 16 0.041 9.777 13.298 151 HZ PHE 16 HZ PHE 16 0.671 10.776 11.138 152 H GLN 17 H GLN 17 4.908 4.013 14.522 153 HA GLN 17 HA GLN 17 7.629 4.355 13.596 154 HB2 GLN 17 HB2 GLN 17 6.296 2.404 15.462 155 HB3 GLN 17 HB3 GLN 17 7.969 2.207 14.961 156 HG2 GLN 17 HG2 GLN 17 7.076 4.805 16.122 157 HG3 GLN 17 HG3 GLN 17 7.396 3.435 17.185 158 HE21 GLN 17 HE21 GLN 17 8.776 5.729 14.964 159 HE22 GLN 17 HE22 GLN 17 10.428 5.447 15.381 160 H SER 18 H SER 18 5.036 1.951 13.145 161 HA SER 18 HA SER 18 6.674 0.487 11.225 162 HB2 SER 18 HB2 SER 18 4.748 -1.122 11.209 163 HB3 SER 18 HB3 SER 18 5.476 -0.888 12.798 164 HG SER 18 HG SER 18 3.730 0.787 13.019 165 H ASN 19 H ASN 19 6.761 1.324 9.258 166 HA ASN 19 HA ASN 19 4.256 1.915 7.857 167 HB2 ASN 19 HB2 ASN 19 6.596 3.768 8.166 168 HB3 ASN 19 HB3 ASN 19 5.636 3.830 6.702 169 HD21 ASN 19 HD21 ASN 19 4.920 5.769 6.992 170 HD22 ASN 19 HD22 ASN 19 3.800 6.189 8.207 171 H ALA 20 H ALA 20 7.774 1.472 7.513 172 HA ALA 20 HA ALA 20 7.571 0.670 4.746 173 HB1 ALA 20 HB1 ALA 20 9.980 0.419 4.844 174 HB2 ALA 20 HB2 ALA 20 9.949 0.595 6.598 175 HB3 ALA 20 HB3 ALA 20 9.493 1.951 5.568 176 H GLY 21 H GLY 21 7.927 -1.354 3.880 177 HA2 GLY 21 HA2 GLY 21 8.764 -3.674 4.333 178 HA3 GLY 21 HA3 GLY 21 7.772 -3.617 5.780 179 H LYS 22 H LYS 22 5.966 -1.990 3.659 180 HA LYS 22 HA LYS 22 4.283 -4.259 3.056 181 HB2 LYS 22 HB2 LYS 22 4.009 -1.298 3.003 182 HB3 LYS 22 HB3 LYS 22 2.929 -2.247 1.990 183 HG2 LYS 22 HG2 LYS 22 1.815 -3.126 3.754 184 HG3 LYS 22 HG3 LYS 22 3.232 -3.078 4.804 185 HD2 LYS 22 HD2 LYS 22 3.019 -0.617 4.915 186 HD3 LYS 22 HD3 LYS 22 1.530 -0.735 3.971 187 HE2 LYS 22 HE2 LYS 22 0.741 -0.635 6.153 188 HE3 LYS 22 HE3 LYS 22 0.770 -2.369 5.833 189 HZ1 LYS 22 HZ1 LYS 22 1.722 -1.981 7.965 190 HZ2 LYS 22 HZ2 LYS 22 2.772 -0.801 7.360 191 HZ3 LYS 22 HZ3 LYS 22 2.982 -2.421 6.924 192 H MET 23 H MET 23 3.447 -4.723 1.021 193 HA MET 23 HA MET 23 5.015 -3.816 -1.260 194 HB2 MET 23 HB2 MET 23 4.334 -6.519 -0.294 195 HB3 MET 23 HB3 MET 23 4.124 -6.259 -2.011 196 HG2 MET 23 HG2 MET 23 6.525 -5.273 -1.900 197 HG3 MET 23 HG3 MET 23 6.619 -6.153 -0.377 198 HE1 MET 23 HE1 MET 23 6.881 -7.775 -4.596 199 HE2 MET 23 HE2 MET 23 7.643 -6.339 -3.914 200 HE3 MET 23 HE3 MET 23 5.898 -6.375 -4.172 201 H PHE 24 H PHE 24 3.926 -3.133 -2.889 202 HA PHE 24 HA PHE 24 1.057 -2.807 -2.793 203 HB2 PHE 24 HB2 PHE 24 2.474 -0.813 -3.060 204 HB3 PHE 24 HB3 PHE 24 3.226 -1.501 -4.481 205 HD1 PHE 24 HD1 PHE 24 2.776 0.457 -5.772 206 HD2 PHE 24 HD2 PHE 24 -0.438 -1.729 -4.028 207 HE1 PHE 24 HE1 PHE 24 1.183 1.667 -7.195 208 HE2 PHE 24 HE2 PHE 24 -2.025 -0.511 -5.452 209 HZ PHE 24 HZ PHE 24 -1.223 1.185 -7.037 210 H ILE 25 H ILE 25 0.029 -4.430 -3.733 211 HA ILE 25 HA ILE 25 1.088 -5.840 -6.029 212 HB ILE 25 HB ILE 25 -1.450 -6.573 -4.775 213 HG12 ILE 25 HG12 ILE 25 0.031 -6.064 -2.848 214 HG13 ILE 25 HG13 ILE 25 -0.463 -7.733 -2.917 215 HG21 ILE 25 HG21 ILE 25 -0.798 -7.899 -6.622 216 HG22 ILE 25 HG22 ILE 25 -0.571 -8.888 -5.181 217 HG23 ILE 25 HG23 ILE 25 0.817 -8.139 -5.959 218 HD11 ILE 25 HD11 ILE 25 1.727 -8.401 -3.686 219 HD12 ILE 25 HD12 ILE 25 1.887 -7.420 -2.230 220 HD13 ILE 25 HD13 ILE 25 2.224 -6.714 -3.810 221 H GLY 26 H GLY 26 0.533 -5.162 -7.933 222 HA2 GLY 26 HA2 GLY 26 -1.975 -3.782 -8.317 223 HA3 GLY 26 HA3 GLY 26 -0.583 -3.532 -9.311 224 H GLY 27 H GLY 27 -3.164 -3.955 -10.204 225 HA2 GLY 27 HA2 GLY 27 -4.148 -4.989 -12.000 226 HA3 GLY 27 HA3 GLY 27 -2.685 -5.927 -12.196 227 H LEU 28 H LEU 28 -4.423 -6.123 -9.158 228 HA LEU 28 HA LEU 28 -4.668 -8.879 -9.157 229 HB2 LEU 28 HB2 LEU 28 -6.437 -6.909 -7.682 230 HB3 LEU 28 HB3 LEU 28 -6.195 -8.591 -7.265 231 HG LEU 28 HG LEU 28 -3.905 -6.629 -7.255 232 HD11 LEU 28 HD11 LEU 28 -5.671 -5.747 -5.804 233 HD12 LEU 28 HD12 LEU 28 -4.285 -6.316 -4.874 234 HD13 LEU 28 HD13 LEU 28 -5.749 -7.295 -4.961 235 HD21 LEU 28 HD21 LEU 28 -2.913 -8.224 -5.722 236 HD22 LEU 28 HD22 LEU 28 -3.405 -9.053 -7.195 237 HD23 LEU 28 HD23 LEU 28 -4.380 -9.199 -5.740 238 H SER 29 H SER 29 -6.944 -10.022 -8.931 239 HA SER 29 HA SER 29 -8.456 -9.368 -11.317 240 HB2 SER 29 HB2 SER 29 -7.328 -11.668 -10.914 241 HB3 SER 29 HB3 SER 29 -8.641 -11.950 -9.772 242 HG SER 29 HG SER 29 -9.610 -12.613 -11.534 243 H TRP 30 H TRP 30 -10.749 -10.198 -11.079 244 HA TRP 30 HA TRP 30 -12.143 -8.557 -9.261 245 HB2 TRP 30 HB2 TRP 30 -14.115 -9.414 -10.433 246 HB3 TRP 30 HB3 TRP 30 -12.887 -8.931 -11.575 247 HD1 TRP 30 HD1 TRP 30 -11.160 -11.522 -11.788 248 HE1 TRP 30 HE1 TRP 30 -12.100 -13.681 -12.771 249 HE3 TRP 30 HE3 TRP 30 -16.173 -10.599 -11.212 250 HZ2 TRP 30 HZ2 TRP 30 -14.578 -14.847 -13.274 251 HZ3 TRP 30 HZ3 TRP 30 -17.763 -12.311 -11.990 252 HH2 TRP 30 HH2 TRP 30 -16.982 -14.393 -13.001 253 H GLN 31 H GLN 31 -11.006 -11.743 -9.206 254 HA GLN 31 HA GLN 31 -12.902 -12.728 -7.229 255 HB2 GLN 31 HB2 GLN 31 -10.694 -13.994 -8.817 256 HB3 GLN 31 HB3 GLN 31 -11.586 -14.861 -7.573 257 HG2 GLN 31 HG2 GLN 31 -13.672 -14.428 -8.852 258 HG3 GLN 31 HG3 GLN 31 -12.686 -13.708 -10.127 259 HE21 GLN 31 HE21 GLN 31 -13.462 -16.640 -8.420 260 HE22 GLN 31 HE22 GLN 31 -12.843 -17.732 -9.603 261 H THR 32 H THR 32 -9.667 -11.581 -7.528 262 HA THR 32 HA THR 32 -8.485 -12.755 -5.269 263 HB THR 32 HB THR 32 -7.642 -10.109 -6.233 264 HG1 THR 32 HG1 THR 32 -7.473 -10.816 -8.205 265 HG21 THR 32 HG21 THR 32 -6.274 -11.097 -4.521 266 HG22 THR 32 HG22 THR 32 -5.383 -11.168 -6.041 267 HG23 THR 32 HG23 THR 32 -6.179 -12.610 -5.418 268 H SER 33 H SER 33 -9.049 -12.544 -3.250 269 HA SER 33 HA SER 33 -10.149 -10.028 -2.180 270 HB2 SER 33 HB2 SER 33 -11.367 -12.318 -2.001 271 HB3 SER 33 HB3 SER 33 -10.157 -12.695 -0.778 272 HG SER 33 HG SER 33 -12.353 -11.529 -0.301 273 HA PRO 34 HA PRO 34 -6.489 -9.230 0.278 274 HB2 PRO 34 HB2 PRO 34 -7.533 -8.859 2.830 275 HB3 PRO 34 HB3 PRO 34 -7.418 -7.602 1.591 276 HG2 PRO 34 HG2 PRO 34 -9.758 -9.290 2.344 277 HG3 PRO 34 HG3 PRO 34 -9.705 -7.573 1.893 278 HD2 PRO 34 HD2 PRO 34 -10.546 -9.411 0.156 279 HD3 PRO 34 HD3 PRO 34 -9.557 -8.035 -0.374 280 H ASP 35 H ASP 35 -8.742 -11.608 1.337 281 HA ASP 35 HA ASP 35 -6.955 -12.989 3.115 282 HB2 ASP 35 HB2 ASP 35 -9.695 -13.260 2.230 283 HB3 ASP 35 HB3 ASP 35 -8.912 -14.761 2.625 284 H SER 36 H SER 36 -8.037 -13.159 -0.145 285 HA SER 36 HA SER 36 -6.917 -15.688 -0.851 286 HB2 SER 36 HB2 SER 36 -8.796 -14.587 -2.096 287 HB3 SER 36 HB3 SER 36 -7.648 -13.384 -2.681 288 HG SER 36 HG SER 36 -8.074 -15.946 -3.524 289 H LEU 37 H LEU 37 -5.851 -12.315 -0.915 290 HA LEU 37 HA LEU 37 -3.454 -12.708 -2.338 291 HB2 LEU 37 HB2 LEU 37 -5.047 -10.675 -1.083 292 HB3 LEU 37 HB3 LEU 37 -3.390 -10.473 -0.642 293 HG LEU 37 HG LEU 37 -4.341 -10.680 -3.474 294 HD11 LEU 37 HD11 LEU 37 -3.895 -8.259 -1.751 295 HD12 LEU 37 HD12 LEU 37 -5.383 -8.761 -2.562 296 HD13 LEU 37 HD13 LEU 37 -4.007 -8.199 -3.512 297 HD21 LEU 37 HD21 LEU 37 -2.221 -9.777 -4.097 298 HD22 LEU 37 HD22 LEU 37 -1.928 -11.151 -3.037 299 HD23 LEU 37 HD23 LEU 37 -1.778 -9.511 -2.413 300 H ARG 38 H ARG 38 -4.408 -12.601 1.040 301 HA ARG 38 HA ARG 38 -1.862 -12.770 2.200 302 HB2 ARG 38 HB2 ARG 38 -4.189 -12.080 3.215 303 HB3 ARG 38 HB3 ARG 38 -4.331 -13.798 3.554 304 HG2 ARG 38 HG2 ARG 38 -2.307 -13.727 4.893 305 HG3 ARG 38 HG3 ARG 38 -2.093 -12.019 4.507 306 HD2 ARG 38 HD2 ARG 38 -4.552 -13.091 5.870 307 HD3 ARG 38 HD3 ARG 38 -3.131 -12.545 6.759 308 HE ARG 38 HE ARG 38 -3.880 -10.512 4.994 309 HH11 ARG 38 HH11 ARG 38 -5.168 -12.074 7.864 310 HH12 ARG 38 HH12 ARG 38 -6.046 -10.670 8.372 311 HH21 ARG 38 HH21 ARG 38 -5.972 -8.756 7.133 312 HH22 ARG 38 HH22 ARG 38 -5.038 -8.690 5.676 313 H ASP 39 H ASP 39 -4.398 -15.108 1.361 314 HA ASP 39 HA ASP 39 -3.069 -17.413 2.267 315 HB2 ASP 39 HB2 ASP 39 -5.440 -16.819 0.629 316 HB3 ASP 39 HB3 ASP 39 -4.680 -18.373 0.297 317 H TYR 40 H TYR 40 -3.066 -15.769 -0.902 318 HA TYR 40 HA TYR 40 -1.635 -17.813 -2.259 319 HB2 TYR 40 HB2 TYR 40 -3.151 -15.888 -3.196 320 HB3 TYR 40 HB3 TYR 40 -1.646 -14.974 -3.209 321 HD1 TYR 40 HD1 TYR 40 -3.294 -18.017 -4.522 322 HD2 TYR 40 HD2 TYR 40 -0.026 -15.328 -4.893 323 HE1 TYR 40 HE1 TYR 40 -2.682 -19.070 -6.662 324 HE2 TYR 40 HE2 TYR 40 0.600 -16.368 -7.032 325 HH TYR 40 HH TYR 40 -1.434 -18.471 -8.719 326 H PHE 41 H PHE 41 -0.698 -14.626 -0.960 327 HA PHE 41 HA PHE 41 2.021 -14.843 -1.653 328 HB2 PHE 41 HB2 PHE 41 0.332 -12.955 -0.190 329 HB3 PHE 41 HB3 PHE 41 2.060 -12.827 0.016 330 HD1 PHE 41 HD1 PHE 41 -0.625 -12.923 -2.528 331 HD2 PHE 41 HD2 PHE 41 3.380 -11.783 -1.653 332 HE1 PHE 41 HE1 PHE 41 -0.463 -11.785 -4.711 333 HE2 PHE 41 HE2 PHE 41 3.542 -10.641 -3.819 334 HZ PHE 41 HZ PHE 41 1.620 -10.644 -5.355 335 H SER 42 H SER 42 0.209 -15.898 1.127 336 HA SER 42 HA SER 42 2.266 -15.995 3.069 337 HB2 SER 42 HB2 SER 42 -0.211 -16.277 3.530 338 HB3 SER 42 HB3 SER 42 -0.062 -17.914 2.895 339 HG SER 42 HG SER 42 1.613 -16.991 4.970 340 H LYS 43 H LYS 43 1.725 -17.561 0.298 341 HA LYS 43 HA LYS 43 2.957 -20.095 0.841 342 HB2 LYS 43 HB2 LYS 43 1.700 -18.770 -1.512 343 HB3 LYS 43 HB3 LYS 43 2.703 -20.172 -1.760 344 HG2 LYS 43 HG2 LYS 43 0.898 -20.763 0.348 345 HG3 LYS 43 HG3 LYS 43 -0.015 -20.072 -0.992 346 HD2 LYS 43 HD2 LYS 43 0.963 -21.714 -2.514 347 HD3 LYS 43 HD3 LYS 43 1.905 -22.394 -1.185 348 HE2 LYS 43 HE2 LYS 43 -0.148 -23.017 -0.030 349 HE3 LYS 43 HE3 LYS 43 -1.108 -22.296 -1.322 350 HZ1 LYS 43 HZ1 LYS 43 -0.191 -23.915 -2.861 351 HZ2 LYS 43 HZ2 LYS 43 -0.946 -24.695 -1.563 352 HZ3 LYS 43 HZ3 LYS 43 0.742 -24.601 -1.627 353 H PHE 44 H PHE 44 4.020 -16.994 0.050 354 HA PHE 44 HA PHE 44 6.557 -17.891 -1.140 355 HB2 PHE 44 HB2 PHE 44 4.894 -15.752 -1.722 356 HB3 PHE 44 HB3 PHE 44 6.243 -15.050 -0.850 357 HD1 PHE 44 HD1 PHE 44 5.131 -16.545 -3.926 358 HD2 PHE 44 HD2 PHE 44 8.556 -15.301 -1.725 359 HE1 PHE 44 HE1 PHE 44 6.473 -16.614 -5.983 360 HE2 PHE 44 HE2 PHE 44 9.906 -15.371 -3.784 361 HZ PHE 44 HZ PHE 44 8.856 -16.030 -5.914 362 H GLY 45 H GLY 45 5.118 -16.323 1.598 363 HA2 GLY 45 HA2 GLY 45 7.251 -16.835 3.343 364 HA3 GLY 45 HA3 GLY 45 7.185 -15.132 2.908 365 H GLU 46 H GLU 46 6.680 -14.837 5.177 366 HA GLU 46 HA GLU 46 4.000 -15.521 5.915 367 HB2 GLU 46 HB2 GLU 46 5.921 -16.112 7.464 368 HB3 GLU 46 HB3 GLU 46 6.059 -14.386 7.778 369 HG2 GLU 46 HG2 GLU 46 3.857 -14.287 8.670 370 HG3 GLU 46 HG3 GLU 46 3.508 -15.930 8.152 371 H ILE 47 H ILE 47 2.562 -14.129 6.195 372 HA ILE 47 HA ILE 47 3.085 -11.302 5.704 373 HB ILE 47 HB ILE 47 0.575 -12.810 5.233 374 HG12 ILE 47 HG12 ILE 47 1.790 -11.458 3.018 375 HG13 ILE 47 HG13 ILE 47 2.859 -12.637 3.755 376 HG21 ILE 47 HG21 ILE 47 -0.098 -10.601 5.827 377 HG22 ILE 47 HG22 ILE 47 -0.202 -10.735 4.072 378 HG23 ILE 47 HG23 ILE 47 1.165 -9.903 4.813 379 HD11 ILE 47 HD11 ILE 47 0.329 -13.024 2.245 380 HD12 ILE 47 HD12 ILE 47 0.694 -14.163 3.534 381 HD13 ILE 47 HD13 ILE 47 1.816 -13.975 2.186 382 H ARG 48 H ARG 48 2.470 -9.762 7.002 383 HA ARG 48 HA ARG 48 1.610 -10.384 9.691 384 HB2 ARG 48 HB2 ARG 48 3.378 -8.642 8.693 385 HB3 ARG 48 HB3 ARG 48 1.969 -7.614 8.671 386 HG2 ARG 48 HG2 ARG 48 1.686 -7.789 11.015 387 HG3 ARG 48 HG3 ARG 48 2.915 -9.051 11.130 388 HD2 ARG 48 HD2 ARG 48 4.622 -7.461 10.404 389 HD3 ARG 48 HD3 ARG 48 3.397 -6.201 10.263 390 HE ARG 48 HE ARG 48 3.197 -7.037 12.848 391 HH11 ARG 48 HH11 ARG 48 6.678 -5.118 12.261 392 HH12 ARG 48 HH12 ARG 48 5.859 -5.819 10.906 393 HH21 ARG 48 HH21 ARG 48 5.787 -5.279 14.353 394 HH22 ARG 48 HH22 ARG 48 4.285 -6.103 14.607 395 H GLU 49 H GLU 49 0.498 -8.603 6.856 396 HA GLU 49 HA GLU 49 -2.263 -8.821 7.508 397 HB2 GLU 49 HB2 GLU 49 -1.216 -6.768 8.854 398 HB3 GLU 49 HB3 GLU 49 -1.403 -5.962 7.307 399 HG2 GLU 49 HG2 GLU 49 -3.370 -5.423 8.369 400 HG3 GLU 49 HG3 GLU 49 -3.844 -6.842 7.436 401 H CYS 50 H CYS 50 -3.568 -7.942 5.799 402 HA CYS 50 HA CYS 50 -2.263 -7.198 3.368 403 HB2 CYS 50 HB2 CYS 50 -2.575 -9.591 3.139 404 HB3 CYS 50 HB3 CYS 50 -4.273 -9.437 3.571 405 HG CYS 50 HG CYS 50 -3.783 -7.487 1.022 406 H MET 51 H MET 51 -3.540 -6.073 1.954 407 HA MET 51 HA MET 51 -6.143 -5.154 2.781 408 HB2 MET 51 HB2 MET 51 -4.648 -3.638 3.907 409 HB3 MET 51 HB3 MET 51 -3.837 -3.329 2.400 410 HG2 MET 51 HG2 MET 51 -5.812 -2.240 1.513 411 HG3 MET 51 HG3 MET 51 -6.674 -2.582 3.015 412 HE1 MET 51 HE1 MET 51 -7.155 0.194 2.685 413 HE2 MET 51 HE2 MET 51 -5.980 0.271 1.371 414 HE3 MET 51 HE3 MET 51 -5.841 1.369 2.744 415 H VAL 52 H VAL 52 -7.426 -4.820 1.192 416 HA VAL 52 HA VAL 52 -6.468 -4.295 -1.515 417 HB VAL 52 HB VAL 52 -8.757 -6.059 -0.820 418 HG11 VAL 52 HG11 VAL 52 -8.832 -6.627 -3.216 419 HG12 VAL 52 HG12 VAL 52 -7.587 -5.412 -3.512 420 HG13 VAL 52 HG13 VAL 52 -9.175 -4.921 -2.922 421 HG21 VAL 52 HG21 VAL 52 -7.452 -7.920 -1.568 422 HG22 VAL 52 HG22 VAL 52 -6.536 -7.032 -0.347 423 HG23 VAL 52 HG23 VAL 52 -6.150 -6.832 -2.053 424 H MET 53 H MET 53 -7.275 -2.583 -2.354 425 HA MET 53 HA MET 53 -9.061 -0.846 -0.983 426 HB2 MET 53 HB2 MET 53 -7.347 -0.723 -3.353 427 HB3 MET 53 HB3 MET 53 -8.814 0.231 -3.506 428 HG2 MET 53 HG2 MET 53 -6.750 0.446 -1.324 429 HG3 MET 53 HG3 MET 53 -7.010 1.581 -2.645 430 HE1 MET 53 HE1 MET 53 -6.881 2.524 0.401 431 HE2 MET 53 HE2 MET 53 -8.211 3.683 0.392 432 HE3 MET 53 HE3 MET 53 -7.120 3.582 -0.990 433 H ARG 54 H ARG 54 -11.162 -0.936 -0.950 434 HA ARG 54 HA ARG 54 -12.644 -1.771 -3.346 435 HB2 ARG 54 HB2 ARG 54 -12.766 -2.861 -0.587 436 HB3 ARG 54 HB3 ARG 54 -14.295 -2.678 -1.438 437 HG2 ARG 54 HG2 ARG 54 -13.443 -4.060 -3.263 438 HG3 ARG 54 HG3 ARG 54 -11.909 -4.239 -2.408 439 HD2 ARG 54 HD2 ARG 54 -13.026 -5.366 -0.578 440 HD3 ARG 54 HD3 ARG 54 -14.593 -5.111 -1.346 441 HE ARG 54 HE ARG 54 -13.470 -6.504 -3.235 442 HH11 ARG 54 HH11 ARG 54 -12.828 -8.752 0.030 443 HH12 ARG 54 HH12 ARG 54 -13.103 -7.052 0.215 444 HH21 ARG 54 HH21 ARG 54 -13.110 -8.728 -3.452 445 HH22 ARG 54 HH22 ARG 54 -12.832 -9.699 -2.045 446 H ASP 55 H ASP 55 -14.892 -1.008 -3.379 447 HA ASP 55 HA ASP 55 -15.195 1.563 -2.131 448 HB2 ASP 55 HB2 ASP 55 -15.906 0.442 -4.717 449 HB3 ASP 55 HB3 ASP 55 -17.068 1.547 -4.034 450 HA PRO 56 HA PRO 56 -18.423 -0.525 0.334 451 HB2 PRO 56 HB2 PRO 56 -19.078 2.251 1.140 452 HB3 PRO 56 HB3 PRO 56 -18.706 0.845 2.148 453 HG2 PRO 56 HG2 PRO 56 -16.938 2.808 1.871 454 HG3 PRO 56 HG3 PRO 56 -16.422 1.110 1.938 455 HD2 PRO 56 HD2 PRO 56 -16.669 2.909 -0.439 456 HD3 PRO 56 HD3 PRO 56 -15.421 1.704 -0.056 457 H THR 57 H THR 57 -18.824 1.735 -2.191 458 HA THR 57 HA THR 57 -21.671 1.984 -2.020 459 HB THR 57 HB THR 57 -21.417 3.063 -4.316 460 HG1 THR 57 HG1 THR 57 -19.313 2.078 -4.699 461 HG21 THR 57 HG21 THR 57 -20.497 5.142 -3.379 462 HG22 THR 57 HG22 THR 57 -19.923 4.246 -1.972 463 HG23 THR 57 HG23 THR 57 -21.654 4.386 -2.284 464 H THR 58 H THR 58 -19.377 0.289 -4.115 465 HA THR 58 HA THR 58 -21.594 -1.322 -5.204 466 HB THR 58 HB THR 58 -20.169 -1.716 -7.196 467 HG1 THR 58 HG1 THR 58 -18.500 0.414 -6.459 468 HG21 THR 58 HG21 THR 58 -20.704 1.176 -6.520 469 HG22 THR 58 HG22 THR 58 -21.812 0.055 -7.315 470 HG23 THR 58 HG23 THR 58 -20.343 0.577 -8.140 471 H LYS 59 H LYS 59 -18.901 -1.449 -3.218 472 HA LYS 59 HA LYS 59 -17.698 -3.065 -2.180 473 HB2 LYS 59 HB2 LYS 59 -19.611 -5.123 -3.255 474 HB3 LYS 59 HB3 LYS 59 -18.704 -5.162 -1.752 475 HG2 LYS 59 HG2 LYS 59 -20.704 -3.014 -2.206 476 HG3 LYS 59 HG3 LYS 59 -21.261 -4.628 -1.751 477 HD2 LYS 59 HD2 LYS 59 -19.880 -4.544 0.265 478 HD3 LYS 59 HD3 LYS 59 -19.271 -2.956 -0.209 479 HE2 LYS 59 HE2 LYS 59 -21.547 -2.056 -0.080 480 HE3 LYS 59 HE3 LYS 59 -22.141 -3.640 0.417 481 HZ1 LYS 59 HZ1 LYS 59 -21.815 -2.177 2.312 482 HZ2 LYS 59 HZ2 LYS 59 -20.183 -1.983 1.916 483 HZ3 LYS 59 HZ3 LYS 59 -20.761 -3.499 2.395 484 H ARG 60 H ARG 60 -17.574 -2.566 -5.218 485 HA ARG 60 HA ARG 60 -16.173 -4.936 -6.172 486 HB2 ARG 60 HB2 ARG 60 -16.917 -2.317 -7.471 487 HB3 ARG 60 HB3 ARG 60 -15.914 -3.517 -8.274 488 HG2 ARG 60 HG2 ARG 60 -18.545 -4.360 -7.163 489 HG3 ARG 60 HG3 ARG 60 -18.508 -3.437 -8.667 490 HD2 ARG 60 HD2 ARG 60 -17.443 -5.115 -9.829 491 HD3 ARG 60 HD3 ARG 60 -16.691 -5.785 -8.383 492 HE ARG 60 HE ARG 60 -19.372 -6.220 -8.043 493 HH11 ARG 60 HH11 ARG 60 -17.874 -8.576 -10.931 494 HH12 ARG 60 HH12 ARG 60 -17.040 -7.117 -10.512 495 HH21 ARG 60 HH21 ARG 60 -20.441 -8.140 -8.604 496 HH22 ARG 60 HH22 ARG 60 -19.797 -9.153 -9.852 497 H SER 61 H SER 61 -14.028 -5.015 -6.808 498 HA SER 61 HA SER 61 -12.238 -3.253 -5.349 499 HB2 SER 61 HB2 SER 61 -10.489 -4.888 -6.099 500 HB3 SER 61 HB3 SER 61 -11.805 -5.617 -5.180 501 HG SER 61 HG SER 61 -11.267 -6.816 -7.068 502 H ARG 62 H ARG 62 -10.353 -2.285 -6.338 503 HA ARG 62 HA ARG 62 -10.945 -1.187 -8.975 504 HB2 ARG 62 HB2 ARG 62 -9.013 -0.403 -6.803 505 HB3 ARG 62 HB3 ARG 62 -8.958 0.322 -8.402 506 HG2 ARG 62 HG2 ARG 62 -11.288 1.084 -8.101 507 HG3 ARG 62 HG3 ARG 62 -11.264 0.423 -6.466 508 HD2 ARG 62 HD2 ARG 62 -10.796 2.715 -6.215 509 HD3 ARG 62 HD3 ARG 62 -9.239 1.903 -6.057 510 HE ARG 62 HE ARG 62 -9.873 2.831 -8.724 511 HH11 ARG 62 HH11 ARG 62 -7.282 4.843 -6.406 512 HH12 ARG 62 HH12 ARG 62 -8.297 3.636 -5.690 513 HH21 ARG 62 HH21 ARG 62 -8.532 4.415 -9.639 514 HH22 ARG 62 HH22 ARG 62 -7.416 5.283 -8.638 515 H GLY 63 H GLY 63 -9.154 -3.715 -7.746 516 HA2 GLY 63 HA2 GLY 63 -7.923 -5.234 -9.057 517 HA3 GLY 63 HA3 GLY 63 -7.659 -3.968 -10.242 518 H PHE 64 H PHE 64 -7.013 -3.186 -6.923 519 HA PHE 64 HA PHE 64 -4.218 -3.925 -7.075 520 HB2 PHE 64 HB2 PHE 64 -3.293 -1.752 -6.839 521 HB3 PHE 64 HB3 PHE 64 -4.365 -1.721 -8.225 522 HD1 PHE 64 HD1 PHE 64 -6.187 -0.254 -8.314 523 HD2 PHE 64 HD2 PHE 64 -4.027 -0.751 -4.714 524 HE1 PHE 64 HE1 PHE 64 -7.330 1.726 -7.376 525 HE2 PHE 64 HE2 PHE 64 -5.139 1.231 -3.748 526 HZ PHE 64 HZ PHE 64 -6.804 2.470 -5.084 527 H GLY 65 H GLY 65 -3.056 -3.739 -5.041 528 HA2 GLY 65 HA2 GLY 65 -4.389 -2.963 -2.685 529 HA3 GLY 65 HA3 GLY 65 -4.331 -4.708 -2.865 530 H PHE 66 H PHE 66 -3.068 -4.312 -0.854 531 HA PHE 66 HA PHE 66 -0.264 -4.217 -1.372 532 HB2 PHE 66 HB2 PHE 66 -1.823 -2.939 0.807 533 HB3 PHE 66 HB3 PHE 66 -0.109 -3.154 0.881 534 HD1 PHE 66 HD1 PHE 66 1.365 -1.654 -0.259 535 HD2 PHE 66 HD2 PHE 66 -2.840 -1.491 -0.902 536 HE1 PHE 66 HE1 PHE 66 1.635 0.497 -1.428 537 HE2 PHE 66 HE2 PHE 66 -2.577 0.662 -2.080 538 HZ PHE 66 HZ PHE 66 -0.337 1.653 -2.347 539 H VAL 67 H VAL 67 0.933 -5.273 0.335 540 HA VAL 67 HA VAL 67 -0.421 -7.119 2.099 541 HB VAL 67 HB VAL 67 1.498 -8.133 -0.036 542 HG11 VAL 67 HG11 VAL 67 0.791 -9.263 2.607 543 HG12 VAL 67 HG12 VAL 67 2.252 -9.473 1.638 544 HG13 VAL 67 HG13 VAL 67 0.798 -10.391 1.247 545 HG21 VAL 67 HG21 VAL 67 -0.844 -7.990 -0.771 546 HG22 VAL 67 HG22 VAL 67 -1.325 -8.996 0.591 547 HG23 VAL 67 HG23 VAL 67 -0.288 -9.663 -0.673 548 H THR 68 H THR 68 0.587 -7.331 3.857 549 HA THR 68 HA THR 68 3.121 -5.949 4.156 550 HB THR 68 HB THR 68 1.345 -6.619 6.399 551 HG1 THR 68 HG1 THR 68 0.315 -5.465 4.436 552 HG21 THR 68 HG21 THR 68 3.751 -5.178 6.010 553 HG22 THR 68 HG22 THR 68 2.851 -5.401 7.519 554 HG23 THR 68 HG23 THR 68 2.498 -4.018 6.487 555 H PHE 69 H PHE 69 4.682 -7.318 4.014 556 HA PHE 69 HA PHE 69 4.543 -9.966 5.049 557 HB2 PHE 69 HB2 PHE 69 6.473 -8.397 3.453 558 HB3 PHE 69 HB3 PHE 69 7.061 -9.811 4.305 559 HD1 PHE 69 HD1 PHE 69 5.054 -8.592 1.566 560 HD2 PHE 69 HD2 PHE 69 6.129 -12.043 3.812 561 HE1 PHE 69 HE1 PHE 69 4.131 -10.041 -0.209 562 HE2 PHE 69 HE2 PHE 69 5.215 -13.486 2.054 563 HZ PHE 69 HZ PHE 69 4.223 -12.495 0.047 564 H ALA 70 H ALA 70 5.111 -10.626 7.015 565 HA ALA 70 HA ALA 70 6.265 -8.838 8.879 566 HB1 ALA 70 HB1 ALA 70 4.416 -10.480 9.384 567 HB2 ALA 70 HB2 ALA 70 5.717 -10.386 10.568 568 HB3 ALA 70 HB3 ALA 70 5.673 -11.715 9.410 569 H ASP 71 H ASP 71 7.741 -10.455 6.673 570 HA ASP 71 HA ASP 71 10.150 -10.860 8.220 571 HB2 ASP 71 HB2 ASP 71 8.930 -12.935 7.355 572 HB3 ASP 71 HB3 ASP 71 9.517 -12.469 5.793 573 HA PRO 72 HA PRO 72 11.833 -8.120 5.060 574 HB2 PRO 72 HB2 PRO 72 14.455 -8.754 6.037 575 HB3 PRO 72 HB3 PRO 72 13.588 -7.244 6.113 576 HG2 PRO 72 HG2 PRO 72 14.134 -8.702 8.320 577 HG3 PRO 72 HG3 PRO 72 12.708 -7.654 8.178 578 HD2 PRO 72 HD2 PRO 72 12.905 -10.620 7.884 579 HD3 PRO 72 HD3 PRO 72 11.636 -9.632 8.640 580 H ALA 73 H ALA 73 12.582 -11.364 5.643 581 HA ALA 73 HA ALA 73 14.414 -11.714 3.476 582 HB1 ALA 73 HB1 ALA 73 13.003 -13.823 5.078 583 HB2 ALA 73 HB2 ALA 73 14.568 -13.114 5.476 584 HB3 ALA 73 HB3 ALA 73 14.382 -14.074 4.009 585 H SER 74 H SER 74 11.027 -11.986 3.946 586 HA SER 74 HA SER 74 10.451 -13.525 1.608 587 HB2 SER 74 HB2 SER 74 8.965 -13.199 3.698 588 HB3 SER 74 HB3 SER 74 8.451 -11.709 2.906 589 HG SER 74 HG SER 74 7.347 -12.834 1.510 590 H VAL 75 H VAL 75 10.784 -10.168 2.299 591 HA VAL 75 HA VAL 75 9.716 -9.167 -0.119 592 HB VAL 75 HB VAL 75 11.779 -7.763 1.578 593 HG11 VAL 75 HG11 VAL 75 9.544 -6.672 -0.140 594 HG12 VAL 75 HG12 VAL 75 11.262 -6.660 -0.537 595 HG13 VAL 75 HG13 VAL 75 10.664 -5.707 0.821 596 HG21 VAL 75 HG21 VAL 75 10.059 -8.488 3.113 597 HG22 VAL 75 HG22 VAL 75 8.796 -7.868 2.050 598 HG23 VAL 75 HG23 VAL 75 9.900 -6.750 2.852 599 H ASP 76 H ASP 76 12.786 -10.290 0.932 600 HA ASP 76 HA ASP 76 14.365 -9.435 -1.238 601 HB2 ASP 76 HB2 ASP 76 14.960 -10.328 1.172 602 HB3 ASP 76 HB3 ASP 76 15.028 -11.864 0.340 603 H LYS 77 H LYS 77 12.708 -12.355 -0.409 604 HA LYS 77 HA LYS 77 13.415 -13.951 -2.588 605 HB2 LYS 77 HB2 LYS 77 11.057 -14.091 -0.729 606 HB3 LYS 77 HB3 LYS 77 11.392 -15.315 -1.945 607 HG2 LYS 77 HG2 LYS 77 13.686 -15.521 -0.825 608 HG3 LYS 77 HG3 LYS 77 12.960 -14.634 0.514 609 HD2 LYS 77 HD2 LYS 77 11.250 -16.332 0.758 610 HD3 LYS 77 HD3 LYS 77 11.875 -17.200 -0.646 611 HE2 LYS 77 HE2 LYS 77 14.001 -17.545 0.541 612 HE3 LYS 77 HE3 LYS 77 13.337 -16.717 1.948 613 HZ1 LYS 77 HZ1 LYS 77 13.205 -19.129 2.159 614 HZ2 LYS 77 HZ2 LYS 77 12.254 -19.216 0.763 615 HZ3 LYS 77 HZ3 LYS 77 11.663 -18.434 2.140 616 H VAL 78 H VAL 78 10.705 -11.814 -2.064 617 HA VAL 78 HA VAL 78 9.400 -12.457 -4.528 618 HB VAL 78 HB VAL 78 8.847 -10.200 -2.580 619 HG11 VAL 78 HG11 VAL 78 6.713 -9.905 -3.684 620 HG12 VAL 78 HG12 VAL 78 7.086 -11.197 -4.824 621 HG13 VAL 78 HG13 VAL 78 8.010 -9.697 -4.862 622 HG21 VAL 78 HG21 VAL 78 6.936 -11.600 -1.896 623 HG22 VAL 78 HG22 VAL 78 8.482 -12.395 -1.603 624 HG23 VAL 78 HG23 VAL 78 7.495 -12.870 -2.985 625 H LEU 79 H LEU 79 11.676 -9.978 -3.444 626 HA LEU 79 HA LEU 79 11.451 -8.120 -5.497 627 HB2 LEU 79 HB2 LEU 79 12.748 -8.346 -3.176 628 HB3 LEU 79 HB3 LEU 79 14.062 -8.745 -4.245 629 HG LEU 79 HG LEU 79 13.955 -6.399 -3.445 630 HD11 LEU 79 HD11 LEU 79 13.887 -6.764 -6.430 631 HD12 LEU 79 HD12 LEU 79 15.287 -6.996 -5.383 632 HD13 LEU 79 HD13 LEU 79 14.587 -5.389 -5.576 633 HD21 LEU 79 HD21 LEU 79 11.788 -5.907 -5.452 634 HD22 LEU 79 HD22 LEU 79 12.402 -4.831 -4.198 635 HD23 LEU 79 HD23 LEU 79 11.427 -6.233 -3.757 636 H GLY 80 H GLY 80 13.410 -11.065 -5.216 637 HA2 GLY 80 HA2 GLY 80 14.830 -10.693 -7.634 638 HA3 GLY 80 HA3 GLY 80 14.789 -12.159 -6.690 639 H GLN 81 H GLN 81 11.775 -12.058 -6.879 640 HA GLN 81 HA GLN 81 11.535 -13.338 -9.473 641 HB2 GLN 81 HB2 GLN 81 9.933 -13.423 -6.925 642 HB3 GLN 81 HB3 GLN 81 9.391 -14.166 -8.408 643 HG2 GLN 81 HG2 GLN 81 12.112 -14.857 -7.550 644 HG3 GLN 81 HG3 GLN 81 10.809 -15.461 -6.535 645 HE21 GLN 81 HE21 GLN 81 9.367 -16.974 -7.371 646 HE22 GLN 81 HE22 GLN 81 9.697 -17.858 -8.819 647 HA PRO 82 HA PRO 82 9.354 -9.396 -10.427 648 HB2 PRO 82 HB2 PRO 82 9.905 -9.919 -13.219 649 HB3 PRO 82 HB3 PRO 82 10.555 -8.640 -12.189 650 HG2 PRO 82 HG2 PRO 82 12.073 -10.674 -13.165 651 HG3 PRO 82 HG3 PRO 82 12.427 -9.824 -11.649 652 HD2 PRO 82 HD2 PRO 82 11.110 -12.478 -12.057 653 HD3 PRO 82 HD3 PRO 82 12.311 -11.981 -10.845 654 H HIS 83 H HIS 83 8.945 -12.504 -12.083 655 HA HIS 83 HA HIS 83 6.391 -11.740 -13.218 656 HB2 HIS 83 HB2 HIS 83 8.179 -13.311 -14.247 657 HB3 HIS 83 HB3 HIS 83 7.491 -14.536 -13.189 658 HD1 HIS 83 HD1 HIS 83 6.598 -12.352 -16.129 659 HD2 HIS 83 HD2 HIS 83 5.098 -15.624 -14.052 660 HE1 HIS 83 HE1 HIS 83 4.675 -13.201 -17.510 661 HE2 HIS 83 HE2 HIS 83 3.782 -15.182 -16.235 662 H HIS 84 H HIS 84 4.495 -11.970 -12.291 663 HA HIS 84 HA HIS 84 4.017 -14.009 -10.250 664 HB2 HIS 84 HB2 HIS 84 4.405 -11.393 -9.578 665 HB3 HIS 84 HB3 HIS 84 2.662 -11.424 -9.813 666 HD1 HIS 84 HD1 HIS 84 1.345 -13.226 -8.312 667 HD2 HIS 84 HD2 HIS 84 5.263 -12.414 -7.190 668 HE1 HIS 84 HE1 HIS 84 1.570 -14.103 -5.967 669 HE2 HIS 84 HE2 HIS 84 3.948 -13.603 -5.307 670 H GLU 85 H GLU 85 2.284 -15.138 -10.848 671 HA GLU 85 HA GLU 85 0.388 -13.967 -12.653 672 HB2 GLU 85 HB2 GLU 85 1.937 -16.053 -13.250 673 HB3 GLU 85 HB3 GLU 85 0.625 -16.917 -12.461 674 HG2 GLU 85 HG2 GLU 85 -0.969 -16.000 -14.028 675 HG3 GLU 85 HG3 GLU 85 0.294 -15.027 -14.780 676 H LEU 86 H LEU 86 -1.608 -13.990 -12.209 677 HA LEU 86 HA LEU 86 -2.834 -15.557 -10.137 678 HB2 LEU 86 HB2 LEU 86 -2.263 -13.577 -8.930 679 HB3 LEU 86 HB3 LEU 86 -2.689 -12.559 -10.279 680 HG LEU 86 HG LEU 86 -5.075 -13.505 -9.885 681 HD11 LEU 86 HD11 LEU 86 -5.548 -13.826 -7.477 682 HD12 LEU 86 HD12 LEU 86 -3.811 -13.839 -7.168 683 HD13 LEU 86 HD13 LEU 86 -4.540 -15.103 -8.159 684 HD21 LEU 86 HD21 LEU 86 -5.488 -11.611 -8.293 685 HD22 LEU 86 HD22 LEU 86 -4.619 -11.185 -9.764 686 HD23 LEU 86 HD23 LEU 86 -3.741 -11.368 -8.244 687 H ASP 87 H ASP 87 -4.806 -16.096 -10.743 688 HA ASP 87 HA ASP 87 -6.555 -16.651 -12.072 689 HB2 ASP 87 HB2 ASP 87 -7.035 -14.400 -11.128 690 HB3 ASP 87 HB3 ASP 87 -6.579 -13.733 -12.668 691 H SER 88 H SER 88 -4.102 -16.865 -13.205 692 HA SER 88 HA SER 88 -3.080 -17.515 -15.133 693 HB2 SER 88 HB2 SER 88 -5.767 -16.981 -16.432 694 HB3 SER 88 HB3 SER 88 -4.400 -17.755 -17.232 695 HG SER 88 HG SER 88 -4.627 -19.504 -15.973 696 H LYS 89 H LYS 89 -3.633 -14.507 -14.321 697 HA LYS 89 HA LYS 89 -2.344 -13.428 -16.698 698 HB2 LYS 89 HB2 LYS 89 -3.446 -11.182 -15.934 699 HB3 LYS 89 HB3 LYS 89 -4.320 -12.303 -16.950 700 HG2 LYS 89 HG2 LYS 89 -5.433 -13.163 -14.856 701 HG3 LYS 89 HG3 LYS 89 -4.679 -11.815 -14.000 702 HD2 LYS 89 HD2 LYS 89 -5.762 -10.287 -15.687 703 HD3 LYS 89 HD3 LYS 89 -6.668 -11.687 -16.261 704 HE2 LYS 89 HE2 LYS 89 -8.086 -10.567 -14.741 705 HE3 LYS 89 HE3 LYS 89 -7.475 -11.982 -13.886 706 HZ1 LYS 89 HZ1 LYS 89 -6.386 -9.231 -13.619 707 HZ2 LYS 89 HZ2 LYS 89 -5.882 -10.592 -12.750 708 HZ3 LYS 89 HZ3 LYS 89 -7.437 -9.970 -12.519 709 H THR 90 H THR 90 -0.993 -11.771 -16.381 710 HA THR 90 HA THR 90 0.696 -12.005 -14.051 711 HB THR 90 HB THR 90 1.165 -10.088 -16.329 712 HG1 THR 90 HG1 THR 90 2.182 -12.692 -16.481 713 HG21 THR 90 HG21 THR 90 3.531 -10.630 -15.899 714 HG22 THR 90 HG22 THR 90 3.040 -11.715 -14.599 715 HG23 THR 90 HG23 THR 90 2.743 -9.982 -14.461 716 H ILE 91 H ILE 91 0.676 -10.701 -12.328 717 HA ILE 91 HA ILE 91 -0.656 -8.088 -12.530 718 HB ILE 91 HB ILE 91 -1.109 -8.222 -10.130 719 HG12 ILE 91 HG12 ILE 91 -0.168 -11.052 -10.211 720 HG13 ILE 91 HG13 ILE 91 0.755 -9.761 -9.476 721 HG21 ILE 91 HG21 ILE 91 -2.783 -8.917 -11.700 722 HG22 ILE 91 HG22 ILE 91 -2.849 -9.950 -10.274 723 HG23 ILE 91 HG23 ILE 91 -2.094 -10.541 -11.755 724 HD11 ILE 91 HD11 ILE 91 -1.098 -11.385 -8.228 725 HD12 ILE 91 HD12 ILE 91 -1.973 -9.871 -8.495 726 HD13 ILE 91 HD13 ILE 91 -0.444 -9.871 -7.603 727 H ASP 92 H ASP 92 0.254 -6.438 -10.751 728 HA ASP 92 HA ASP 92 3.166 -6.535 -11.178 729 HB2 ASP 92 HB2 ASP 92 1.713 -4.805 -12.381 730 HB3 ASP 92 HB3 ASP 92 1.558 -4.021 -10.817 731 HA PRO 93 HA PRO 93 2.952 -6.191 -6.573 732 HB2 PRO 93 HB2 PRO 93 4.796 -8.384 -6.334 733 HB3 PRO 93 HB3 PRO 93 3.102 -8.342 -5.836 734 HG2 PRO 93 HG2 PRO 93 4.044 -9.913 -7.869 735 HG3 PRO 93 HG3 PRO 93 2.367 -9.350 -7.741 736 HD2 PRO 93 HD2 PRO 93 4.596 -8.265 -9.421 737 HD3 PRO 93 HD3 PRO 93 2.880 -8.493 -9.830 738 H LYS 94 H LYS 94 4.226 -4.603 -5.858 739 HA LYS 94 HA LYS 94 7.133 -4.783 -6.224 740 HB2 LYS 94 HB2 LYS 94 5.723 -2.170 -6.762 741 HB3 LYS 94 HB3 LYS 94 7.391 -2.590 -7.103 742 HG2 LYS 94 HG2 LYS 94 5.112 -3.956 -8.489 743 HG3 LYS 94 HG3 LYS 94 5.760 -2.417 -9.067 744 HD2 LYS 94 HD2 LYS 94 8.023 -3.519 -9.146 745 HD3 LYS 94 HD3 LYS 94 7.211 -5.049 -8.806 746 HE2 LYS 94 HE2 LYS 94 5.883 -4.806 -10.834 747 HE3 LYS 94 HE3 LYS 94 6.649 -3.254 -11.165 748 HZ1 LYS 94 HZ1 LYS 94 8.786 -4.421 -11.326 749 HZ2 LYS 94 HZ2 LYS 94 7.673 -4.972 -12.475 750 HZ3 LYS 94 HZ3 LYS 94 7.996 -5.900 -11.098 751 H VAL 95 H VAL 95 8.376 -3.499 -4.765 752 HA VAL 95 HA VAL 95 7.109 -3.089 -2.200 753 HB VAL 95 HB VAL 95 9.960 -2.511 -2.834 754 HG11 VAL 95 HG11 VAL 95 10.327 -3.008 -0.448 755 HG12 VAL 95 HG12 VAL 95 8.587 -3.226 -0.257 756 HG13 VAL 95 HG13 VAL 95 9.234 -1.646 -0.696 757 HG21 VAL 95 HG21 VAL 95 8.857 -5.151 -1.896 758 HG22 VAL 95 HG22 VAL 95 10.556 -4.764 -2.164 759 HG23 VAL 95 HG23 VAL 95 9.441 -4.822 -3.528 760 H ALA 96 H ALA 96 6.906 -1.135 -1.094 761 HA ALA 96 HA ALA 96 6.219 1.123 -2.553 762 HB1 ALA 96 HB1 ALA 96 6.019 2.272 -0.427 763 HB2 ALA 96 HB2 ALA 96 6.924 0.981 0.366 764 HB3 ALA 96 HB3 ALA 96 5.342 0.646 -0.340 765 H PHE 97 H PHE 97 7.110 3.104 -2.929 766 HA PHE 97 HA PHE 97 10.011 3.369 -2.587 767 HB2 PHE 97 HB2 PHE 97 8.157 3.849 -4.818 768 HB3 PHE 97 HB3 PHE 97 9.337 5.121 -4.560 769 HD1 PHE 97 HD1 PHE 97 8.845 1.605 -5.424 770 HD2 PHE 97 HD2 PHE 97 11.679 4.745 -4.968 771 HE1 PHE 97 HE1 PHE 97 10.533 0.249 -6.602 772 HE2 PHE 97 HE2 PHE 97 13.371 3.399 -6.143 773 HZ PHE 97 HZ PHE 97 12.799 1.147 -6.960 774 HA PRO 98 HA PRO 98 8.945 7.034 -0.124 775 HB2 PRO 98 HB2 PRO 98 11.763 7.806 -0.237 776 HB3 PRO 98 HB3 PRO 98 10.821 7.245 1.150 777 HG2 PRO 98 HG2 PRO 98 12.759 5.730 0.095 778 HG3 PRO 98 HG3 PRO 98 11.265 5.019 0.744 779 HD2 PRO 98 HD2 PRO 98 11.958 5.617 -2.116 780 HD3 PRO 98 HD3 PRO 98 11.307 4.124 -1.403 781 H ARG 99 H ARG 99 9.071 9.376 -0.182 782 HA ARG 99 HA ARG 99 9.043 10.418 -2.900 783 HB2 ARG 99 HB2 ARG 99 8.187 11.549 -0.237 784 HB3 ARG 99 HB3 ARG 99 8.190 12.511 -1.708 785 HG2 ARG 99 HG2 ARG 99 6.566 11.068 -2.726 786 HG3 ARG 99 HG3 ARG 99 6.659 9.939 -1.373 787 HD2 ARG 99 HD2 ARG 99 5.775 11.663 0.124 788 HD3 ARG 99 HD3 ARG 99 5.687 12.793 -1.227 789 HE ARG 99 HE ARG 99 4.221 10.605 -2.011 790 HH11 ARG 99 HH11 ARG 99 4.026 12.877 0.664 791 HH12 ARG 99 HH12 ARG 99 2.306 12.727 0.812 792 HH21 ARG 99 HH21 ARG 99 1.147 11.341 -0.578 793 HH22 ARG 99 HH22 ARG 99 1.974 10.426 -1.794 794 H ARG 100 H ARG 100 10.181 12.274 -3.592 795 HA ARG 100 HA ARG 100 12.708 12.756 -2.150 796 HB2 ARG 100 HB2 ARG 100 12.402 11.844 -4.679 797 HB3 ARG 100 HB3 ARG 100 12.470 13.573 -4.984 798 HG2 ARG 100 HG2 ARG 100 14.617 13.688 -3.799 799 HG3 ARG 100 HG3 ARG 100 14.550 11.946 -3.531 800 HD2 ARG 100 HD2 ARG 100 14.493 13.217 -6.263 801 HD3 ARG 100 HD3 ARG 100 15.975 12.691 -5.468 802 HE ARG 100 HE ARG 100 13.943 10.651 -5.677 803 HH11 ARG 100 HH11 ARG 100 17.033 10.711 -8.243 804 HH12 ARG 100 HH12 ARG 100 16.712 12.109 -7.272 805 HH21 ARG 100 HH21 ARG 100 14.382 8.834 -6.960 806 HH22 ARG 100 HH22 ARG 100 15.715 8.860 -8.066 807 H ALA 101 H ALA 101 13.646 14.932 -2.312 808 HA ALA 101 HA ALA 101 11.720 16.964 -1.779 809 HB1 ALA 101 HB1 ALA 101 13.362 17.981 -0.627 810 HB2 ALA 101 HB2 ALA 101 14.526 17.782 -1.934 811 HB3 ALA 101 HB3 ALA 101 14.209 16.446 -0.827 812 H GLN 102 H GLN 102 12.372 19.298 -2.646 813 HA GLN 102 HA GLN 102 12.381 19.116 -5.584 814 HB2 GLN 102 HB2 GLN 102 11.171 21.105 -3.680 815 HB3 GLN 102 HB3 GLN 102 11.403 21.488 -5.380 816 HG2 GLN 102 HG2 GLN 102 9.994 19.604 -6.009 817 HG3 GLN 102 HG3 GLN 102 9.780 19.190 -4.309 818 HE21 GLN 102 HE21 GLN 102 8.468 20.467 -3.018 819 HE22 GLN 102 HE22 GLN 102 7.362 21.619 -3.676 820 HA PRO 103 HA PRO 103 16.282 21.339 -5.581 821 HB2 PRO 103 HB2 PRO 103 16.515 21.882 -8.204 822 HB3 PRO 103 HB3 PRO 103 16.651 20.232 -7.579 823 HG2 PRO 103 HG2 PRO 103 14.333 21.548 -8.920 824 HG3 PRO 103 HG3 PRO 103 14.963 19.901 -9.123 825 HD2 PRO 103 HD2 PRO 103 12.791 20.527 -7.568 826 HD3 PRO 103 HD3 PRO 103 13.818 19.103 -7.321 827 H LYS 104 H LYS 104 17.244 23.437 -6.495 828 HA LYS 104 HA LYS 104 15.485 25.643 -5.812 829 HB2 LYS 104 HB2 LYS 104 18.437 25.444 -6.390 830 HB3 LYS 104 HB3 LYS 104 17.631 26.988 -6.165 831 HG2 LYS 104 HG2 LYS 104 16.981 26.344 -3.913 832 HG3 LYS 104 HG3 LYS 104 17.735 24.763 -4.137 833 HD2 LYS 104 HD2 LYS 104 19.910 25.806 -4.399 834 HD3 LYS 104 HD3 LYS 104 19.181 27.409 -4.285 835 HE2 LYS 104 HE2 LYS 104 18.484 26.950 -2.001 836 HE3 LYS 104 HE3 LYS 104 19.141 25.317 -2.111 837 HZ1 LYS 104 HZ1 LYS 104 20.722 27.824 -2.322 838 HZ2 LYS 104 HZ2 LYS 104 21.344 26.252 -2.390 839 HZ3 LYS 104 HZ3 LYS 104 20.647 26.823 -0.959 840 H MET 105 H MET 105 15.211 27.527 -7.093 841 HA MET 105 HA MET 105 14.563 28.677 -8.920 842 HB2 MET 105 HB2 MET 105 17.085 27.418 -9.960 843 HB3 MET 105 HB3 MET 105 16.137 28.537 -10.932 844 HG2 MET 105 HG2 MET 105 17.162 29.198 -8.188 845 HG3 MET 105 HG3 MET 105 18.063 29.538 -9.669 846 HE1 MET 105 HE1 MET 105 17.360 31.782 -7.555 847 HE2 MET 105 HE2 MET 105 16.805 33.091 -8.599 848 HE3 MET 105 HE3 MET 105 18.204 32.124 -9.065 849 H VAL 106 H VAL 106 13.108 28.613 -10.477 850 HA VAL 106 HA VAL 106 12.596 26.047 -11.819 851 HB VAL 106 HB VAL 106 10.492 28.085 -11.028 852 HG11 VAL 106 HG11 VAL 106 10.207 25.299 -12.156 853 HG12 VAL 106 HG12 VAL 106 9.842 26.811 -12.988 854 HG13 VAL 106 HG13 VAL 106 8.876 26.314 -11.598 855 HG21 VAL 106 HG21 VAL 106 11.379 27.030 -9.028 856 HG22 VAL 106 HG22 VAL 106 11.132 25.434 -9.736 857 HG23 VAL 106 HG23 VAL 106 9.745 26.451 -9.350 858 H THR 107 H THR 107 11.916 29.537 -12.075 859 HA THR 107 HA THR 107 12.096 29.388 -14.950 860 HB THR 107 HB THR 107 11.115 31.787 -13.422 861 HG1 THR 107 HG1 THR 107 9.878 29.957 -12.752 862 HG21 THR 107 HG21 THR 107 11.528 32.064 -15.834 863 HG22 THR 107 HG22 THR 107 9.812 32.208 -15.455 864 HG23 THR 107 HG23 THR 107 10.434 30.722 -16.171 865 H ARG 108 H ARG 108 14.118 29.670 -15.567 866 HA ARG 108 HA ARG 108 15.839 31.601 -14.192 867 HB2 ARG 108 HB2 ARG 108 16.380 29.258 -15.987 868 HB3 ARG 108 HB3 ARG 108 17.614 30.480 -15.718 869 HG2 ARG 108 HG2 ARG 108 17.639 30.020 -13.363 870 HG3 ARG 108 HG3 ARG 108 16.268 28.920 -13.522 871 HD2 ARG 108 HD2 ARG 108 18.806 28.458 -15.051 872 HD3 ARG 108 HD3 ARG 108 18.649 27.927 -13.377 873 HE ARG 108 HE ARG 108 16.536 26.758 -14.325 874 HH11 ARG 108 HH11 ARG 108 19.596 27.086 -16.020 875 HH12 ARG 108 HH12 ARG 108 19.368 25.639 -16.944 876 HH21 ARG 108 HH21 ARG 108 17.487 24.381 -16.668 877 HH22 ARG 108 HH22 ARG 108 16.269 24.859 -15.533 878 H THR 109 H THR 109 14.491 30.899 -17.384 879 HA THR 109 HA THR 109 15.792 33.309 -18.454 880 HB THR 109 HB THR 109 14.924 32.431 -20.692 881 HG1 THR 109 HG1 THR 109 13.490 30.861 -19.556 882 HG21 THR 109 HG21 THR 109 16.785 30.853 -20.931 883 HG22 THR 109 HG22 THR 109 16.952 30.783 -19.176 884 HG23 THR 109 HG23 THR 109 17.274 32.290 -20.034 885 H LYS 110 H LYS 110 14.581 35.035 -17.986 886 HA LYS 110 HA LYS 110 11.719 34.959 -18.426 887 HB2 LYS 110 HB2 LYS 110 13.489 36.727 -16.787 888 HB3 LYS 110 HB3 LYS 110 11.889 37.278 -17.263 889 HG2 LYS 110 HG2 LYS 110 10.932 35.254 -16.192 890 HG3 LYS 110 HG3 LYS 110 12.550 34.851 -15.612 891 HD2 LYS 110 HD2 LYS 110 12.649 36.902 -14.341 892 HD3 LYS 110 HD3 LYS 110 11.098 37.424 -15.002 893 HE2 LYS 110 HE2 LYS 110 10.007 35.510 -13.927 894 HE3 LYS 110 HE3 LYS 110 11.558 35.007 -13.257 895 HZ1 LYS 110 HZ1 LYS 110 11.658 37.087 -12.029 896 HZ2 LYS 110 HZ2 LYS 110 10.253 36.231 -11.638 897 HZ3 LYS 110 HZ3 LYS 110 10.168 37.567 -12.672 898 H LYS 111 H LYS 111 10.697 36.305 -19.867 899 HA LYS 111 HA LYS 111 12.354 37.520 -21.874 900 HB2 LYS 111 HB2 LYS 111 10.192 36.008 -22.168 901 HB3 LYS 111 HB3 LYS 111 9.379 37.560 -22.051 902 HG2 LYS 111 HG2 LYS 111 11.633 37.257 -23.984 903 HG3 LYS 111 HG3 LYS 111 10.060 36.568 -24.379 904 HD2 LYS 111 HD2 LYS 111 9.015 38.755 -24.092 905 HD3 LYS 111 HD3 LYS 111 10.572 39.454 -23.645 906 HE2 LYS 111 HE2 LYS 111 10.187 40.000 -25.929 907 HE3 LYS 111 HE3 LYS 111 11.428 38.750 -25.896 908 HZ1 LYS 111 HZ1 LYS 111 9.785 38.323 -27.613 909 HZ2 LYS 111 HZ2 LYS 111 8.544 38.308 -26.464 910 HZ3 LYS 111 HZ3 LYS 111 9.736 37.108 -26.436 Start of MODEL 2 1 H1 MET -3 H1 MET -3 17.524 -26.875 14.182 2 H2 MET -3 H2 MET -3 17.099 -25.404 14.902 3 H3 MET -3 H3 MET -3 16.106 -26.759 15.098 4 HA MET -3 HA MET -3 17.376 -26.342 17.090 5 HB2 MET -3 HB2 MET -3 17.895 -28.813 15.476 6 HB3 MET -3 HB3 MET -3 18.654 -28.627 17.051 7 HG2 MET -3 HG2 MET -3 16.448 -28.356 18.075 8 HG3 MET -3 HG3 MET -3 15.697 -28.570 16.494 9 HE1 MET -3 HE1 MET -3 15.097 -30.268 19.207 10 HE2 MET -3 HE2 MET -3 14.913 -31.887 18.532 11 HE3 MET -3 HE3 MET -3 14.195 -30.503 17.709 12 H HIS -2 H HIS -2 19.432 -26.883 14.243 13 HA HIS -2 HA HIS -2 21.583 -25.407 15.593 14 HB2 HIS -2 HB2 HIS -2 21.852 -28.075 14.213 15 HB3 HIS -2 HB3 HIS -2 23.229 -27.013 14.489 16 HD1 HIS -2 HD1 HIS -2 21.146 -29.551 16.108 17 HD2 HIS -2 HD2 HIS -2 23.802 -26.586 17.300 18 HE1 HIS -2 HE1 HIS -2 21.752 -30.106 18.486 19 HE2 HIS -2 HE2 HIS -2 23.361 -28.299 19.188 20 H HIS -1 H HIS -1 20.220 -26.578 12.544 21 HA HIS -1 HA HIS -1 21.925 -24.817 10.979 22 HB2 HIS -1 HB2 HIS -1 19.841 -26.863 10.232 23 HB3 HIS -1 HB3 HIS -1 20.587 -25.802 9.041 24 HD1 HIS -1 HD1 HIS -1 21.319 -28.721 11.264 25 HD2 HIS -1 HD2 HIS -1 23.231 -26.423 8.379 26 HE1 HIS -1 HE1 HIS -1 23.421 -29.976 10.690 27 HE2 HIS -1 HE2 HIS -1 24.565 -28.566 8.943 28 H HIS 0 H HIS 0 18.464 -25.143 11.736 29 HA HIS 0 HA HIS 0 17.923 -22.609 10.377 30 HB2 HIS 0 HB2 HIS 0 16.132 -24.795 11.417 31 HB3 HIS 0 HB3 HIS 0 15.497 -23.228 10.927 32 HD1 HIS 0 HD1 HIS 0 15.887 -22.586 8.356 33 HD2 HIS 0 HD2 HIS 0 16.587 -26.556 9.369 34 HE1 HIS 0 HE1 HIS 0 15.894 -23.845 6.179 35 HE2 HIS 0 HE2 HIS 0 16.319 -26.246 6.814 36 H HIS 1 H HIS 1 17.672 -24.102 13.581 37 HA HIS 1 HA HIS 1 17.000 -21.470 14.713 38 HB2 HIS 1 HB2 HIS 1 15.617 -23.721 15.083 39 HB3 HIS 1 HB3 HIS 1 16.809 -23.944 16.359 40 HD1 HIS 1 HD1 HIS 1 13.773 -22.040 15.481 41 HD2 HIS 1 HD2 HIS 1 16.705 -21.962 18.424 42 HE1 HIS 1 HE1 HIS 1 12.856 -20.570 17.304 43 HE2 HIS 1 HE2 HIS 1 14.647 -20.537 19.076 44 H HIS 2 H HIS 2 18.271 -20.521 16.204 45 HA HIS 2 HA HIS 2 20.690 -21.951 17.096 46 HB2 HIS 2 HB2 HIS 2 20.426 -19.157 16.001 47 HB3 HIS 2 HB3 HIS 2 21.782 -19.619 17.024 48 HD1 HIS 2 HD1 HIS 2 20.140 -20.926 13.841 49 HD2 HIS 2 HD2 HIS 2 23.887 -20.493 15.585 50 HE1 HIS 2 HE1 HIS 2 21.782 -21.748 12.121 51 HE2 HIS 2 HE2 HIS 2 24.044 -21.477 13.198 52 H HIS 3 H HIS 3 21.076 -21.903 19.218 53 HA HIS 3 HA HIS 3 19.545 -20.008 20.876 54 HB2 HIS 3 HB2 HIS 3 20.036 -22.930 21.183 55 HB3 HIS 3 HB3 HIS 3 19.971 -21.954 22.646 56 HD1 HIS 3 HD1 HIS 3 17.689 -20.724 23.132 57 HD2 HIS 3 HD2 HIS 3 17.598 -23.452 19.998 58 HE1 HIS 3 HE1 HIS 3 15.251 -21.154 22.685 59 HE2 HIS 3 HE2 HIS 3 15.219 -22.808 20.784 60 H SER 4 H SER 4 20.758 -18.561 21.824 61 HA SER 4 HA SER 4 23.433 -19.301 22.816 62 HB2 SER 4 HB2 SER 4 22.685 -16.715 21.420 63 HB3 SER 4 HB3 SER 4 24.246 -17.052 22.169 64 HG SER 4 HG SER 4 24.432 -17.514 20.009 65 H THR 5 H THR 5 24.198 -17.993 24.626 66 HA THR 5 HA THR 5 22.116 -17.360 26.487 67 HB THR 5 HB THR 5 24.193 -16.747 27.901 68 HG1 THR 5 HG1 THR 5 25.395 -18.085 25.709 69 HG21 THR 5 HG21 THR 5 22.914 -18.762 28.289 70 HG22 THR 5 HG22 THR 5 24.635 -19.136 28.379 71 HG23 THR 5 HG23 THR 5 23.715 -19.555 26.933 72 H SER 6 H SER 6 21.198 -15.441 26.680 73 HA SER 6 HA SER 6 22.482 -13.073 25.542 74 HB2 SER 6 HB2 SER 6 19.661 -13.480 26.557 75 HB3 SER 6 HB3 SER 6 20.267 -12.018 25.778 76 HG SER 6 HG SER 6 20.535 -13.150 23.889 77 H VAL 7 H VAL 7 22.969 -11.256 26.653 78 HA VAL 7 HA VAL 7 22.793 -11.379 29.595 79 HB VAL 7 HB VAL 7 24.860 -9.831 28.001 80 HG11 VAL 7 HG11 VAL 7 24.470 -8.964 30.253 81 HG12 VAL 7 HG12 VAL 7 26.070 -9.698 30.130 82 HG13 VAL 7 HG13 VAL 7 24.761 -10.566 30.931 83 HG21 VAL 7 HG21 VAL 7 26.479 -11.561 28.563 84 HG22 VAL 7 HG22 VAL 7 25.151 -12.242 27.620 85 HG23 VAL 7 HG23 VAL 7 25.220 -12.502 29.363 86 H ASP 8 H ASP 8 22.875 -9.145 26.817 87 HA ASP 8 HA ASP 8 21.600 -7.023 28.346 88 HB2 ASP 8 HB2 ASP 8 22.689 -7.194 25.539 89 HB3 ASP 8 HB3 ASP 8 21.779 -5.798 26.105 90 H LEU 9 H LEU 9 19.596 -6.109 27.866 91 HA LEU 9 HA LEU 9 17.665 -7.952 26.707 92 HB2 LEU 9 HB2 LEU 9 17.557 -6.455 28.935 93 HB3 LEU 9 HB3 LEU 9 16.816 -5.331 27.813 94 HG LEU 9 HG LEU 9 15.717 -8.069 27.733 95 HD11 LEU 9 HD11 LEU 9 15.299 -6.292 30.129 96 HD12 LEU 9 HD12 LEU 9 16.112 -7.858 30.122 97 HD13 LEU 9 HD13 LEU 9 14.389 -7.756 29.758 98 HD21 LEU 9 HD21 LEU 9 14.421 -5.359 27.976 99 HD22 LEU 9 HD22 LEU 9 13.635 -6.875 27.535 100 HD23 LEU 9 HD23 LEU 9 14.821 -6.149 26.450 101 H GLY 10 H GLY 10 15.883 -7.043 25.330 102 HA2 GLY 10 HA2 GLY 10 16.903 -4.978 23.484 103 HA3 GLY 10 HA3 GLY 10 16.179 -6.466 22.892 104 H THR 11 H THR 11 15.488 -3.709 25.001 105 HA THR 11 HA THR 11 12.709 -3.719 24.012 106 HB THR 11 HB THR 11 12.678 -4.348 26.357 107 HG1 THR 11 HG1 THR 11 11.023 -2.924 25.617 108 HG21 THR 11 HG21 THR 11 14.847 -3.284 27.017 109 HG22 THR 11 HG22 THR 11 13.529 -2.984 28.150 110 HG23 THR 11 HG23 THR 11 14.024 -1.723 27.021 111 H GLU 12 H GLU 12 15.578 -2.106 23.931 112 HA GLU 12 HA GLU 12 14.452 0.577 23.787 113 HB2 GLU 12 HB2 GLU 12 16.508 0.152 25.134 114 HB3 GLU 12 HB3 GLU 12 17.338 -0.303 23.656 115 HG2 GLU 12 HG2 GLU 12 17.144 1.910 22.792 116 HG3 GLU 12 HG3 GLU 12 16.123 2.402 24.142 117 H ASN 13 H ASN 13 16.637 -1.422 21.916 118 HA ASN 13 HA ASN 13 16.283 0.056 19.492 119 HB2 ASN 13 HB2 ASN 13 18.360 -1.257 20.376 120 HB3 ASN 13 HB3 ASN 13 17.579 -2.644 19.645 121 HD21 ASN 13 HD21 ASN 13 20.034 -1.198 19.188 122 HD22 ASN 13 HD22 ASN 13 20.006 -0.789 17.536 123 H LEU 14 H LEU 14 14.030 -1.650 20.853 124 HA LEU 14 HA LEU 14 13.314 -3.564 18.808 125 HB2 LEU 14 HB2 LEU 14 12.830 -3.610 21.382 126 HB3 LEU 14 HB3 LEU 14 11.444 -2.634 20.946 127 HG LEU 14 HG LEU 14 10.979 -4.582 19.241 128 HD11 LEU 14 HD11 LEU 14 12.996 -5.843 19.613 129 HD12 LEU 14 HD12 LEU 14 11.616 -6.772 20.199 130 HD13 LEU 14 HD13 LEU 14 12.664 -5.934 21.344 131 HD21 LEU 14 HD21 LEU 14 9.479 -3.922 21.027 132 HD22 LEU 14 HD22 LEU 14 10.461 -4.795 22.203 133 HD23 LEU 14 HD23 LEU 14 9.596 -5.680 20.947 134 H TYR 15 H TYR 15 11.493 -3.490 17.495 135 HA TYR 15 HA TYR 15 10.748 -0.816 16.590 136 HB2 TYR 15 HB2 TYR 15 10.429 -3.579 15.421 137 HB3 TYR 15 HB3 TYR 15 9.618 -2.178 14.724 138 HD1 TYR 15 HD1 TYR 15 10.839 -0.528 13.486 139 HD2 TYR 15 HD2 TYR 15 12.888 -3.744 15.373 140 HE1 TYR 15 HE1 TYR 15 12.875 0.039 12.230 141 HE2 TYR 15 HE2 TYR 15 14.929 -3.186 14.121 142 HH TYR 15 HH TYR 15 15.322 -0.277 12.449 143 H PHE 16 H PHE 16 8.555 -0.187 16.249 144 HA PHE 16 HA PHE 16 6.446 -1.756 17.417 145 HB2 PHE 16 HB2 PHE 16 7.639 0.405 18.846 146 HB3 PHE 16 HB3 PHE 16 6.013 0.891 18.377 147 HD1 PHE 16 HD1 PHE 16 8.005 -1.366 20.425 148 HD2 PHE 16 HD2 PHE 16 4.065 -0.320 19.205 149 HE1 PHE 16 HE1 PHE 16 7.082 -2.697 22.278 150 HE2 PHE 16 HE2 PHE 16 3.135 -1.646 21.057 151 HZ PHE 16 HZ PHE 16 4.644 -2.837 22.595 152 H GLN 17 H GLN 17 7.362 1.262 15.807 153 HA GLN 17 HA GLN 17 4.714 1.619 14.661 154 HB2 GLN 17 HB2 GLN 17 7.290 3.180 14.450 155 HB3 GLN 17 HB3 GLN 17 5.863 3.584 13.506 156 HG2 GLN 17 HG2 GLN 17 4.604 4.050 15.486 157 HG3 GLN 17 HG3 GLN 17 5.907 3.452 16.513 158 HE21 GLN 17 HE21 GLN 17 4.822 6.048 14.471 159 HE22 GLN 17 HE22 GLN 17 5.997 7.208 14.976 160 H SER 18 H SER 18 4.082 0.768 12.791 161 HA SER 18 HA SER 18 6.086 -0.391 10.989 162 HB2 SER 18 HB2 SER 18 3.095 -0.839 11.129 163 HB3 SER 18 HB3 SER 18 4.203 -1.667 10.034 164 HG SER 18 HG SER 18 5.311 -2.383 11.989 165 H ASN 19 H ASN 19 6.572 0.542 9.128 166 HA ASN 19 HA ASN 19 4.583 2.133 7.699 167 HB2 ASN 19 HB2 ASN 19 7.214 3.177 8.718 168 HB3 ASN 19 HB3 ASN 19 6.508 3.844 7.253 169 HD21 ASN 19 HD21 ASN 19 7.008 4.489 10.211 170 HD22 ASN 19 HD22 ASN 19 5.573 5.305 10.639 171 H ALA 20 H ALA 20 7.999 1.096 7.581 172 HA ALA 20 HA ALA 20 7.830 0.665 4.697 173 HB1 ALA 20 HB1 ALA 20 10.256 0.233 4.866 174 HB2 ALA 20 HB2 ALA 20 10.149 0.450 6.614 175 HB3 ALA 20 HB3 ALA 20 9.793 1.799 5.534 176 H GLY 21 H GLY 21 8.235 -1.330 3.683 177 HA2 GLY 21 HA2 GLY 21 8.930 -3.681 3.936 178 HA3 GLY 21 HA3 GLY 21 8.038 -3.696 5.445 179 H LYS 22 H LYS 22 6.138 -1.923 3.455 180 HA LYS 22 HA LYS 22 4.384 -4.155 2.928 181 HB2 LYS 22 HB2 LYS 22 4.161 -1.193 2.841 182 HB3 LYS 22 HB3 LYS 22 3.019 -2.139 1.896 183 HG2 LYS 22 HG2 LYS 22 1.996 -3.008 3.730 184 HG3 LYS 22 HG3 LYS 22 3.457 -2.898 4.720 185 HD2 LYS 22 HD2 LYS 22 3.222 -0.443 4.743 186 HD3 LYS 22 HD3 LYS 22 1.700 -0.609 3.859 187 HE2 LYS 22 HE2 LYS 22 0.786 -1.936 5.716 188 HE3 LYS 22 HE3 LYS 22 2.298 -1.728 6.597 189 HZ1 LYS 22 HZ1 LYS 22 0.454 0.449 5.777 190 HZ2 LYS 22 HZ2 LYS 22 1.919 0.663 6.595 191 HZ3 LYS 22 HZ3 LYS 22 0.644 -0.154 7.346 192 H MET 23 H MET 23 3.476 -4.669 0.971 193 HA MET 23 HA MET 23 4.953 -3.828 -1.410 194 HB2 MET 23 HB2 MET 23 4.684 -6.450 -0.300 195 HB3 MET 23 HB3 MET 23 3.850 -6.402 -1.847 196 HG2 MET 23 HG2 MET 23 5.899 -5.463 -2.865 197 HG3 MET 23 HG3 MET 23 6.707 -5.664 -1.312 198 HE1 MET 23 HE1 MET 23 7.699 -9.161 -1.040 199 HE2 MET 23 HE2 MET 23 7.395 -7.605 -0.269 200 HE3 MET 23 HE3 MET 23 8.577 -7.727 -1.578 201 H PHE 24 H PHE 24 3.803 -3.045 -2.910 202 HA PHE 24 HA PHE 24 0.934 -2.804 -2.765 203 HB2 PHE 24 HB2 PHE 24 2.309 -0.779 -3.024 204 HB3 PHE 24 HB3 PHE 24 3.032 -1.423 -4.482 205 HD1 PHE 24 HD1 PHE 24 2.501 0.578 -5.690 206 HD2 PHE 24 HD2 PHE 24 -0.612 -1.756 -3.954 207 HE1 PHE 24 HE1 PHE 24 0.842 1.783 -7.045 208 HE2 PHE 24 HE2 PHE 24 -2.261 -0.551 -5.310 209 HZ PHE 24 HZ PHE 24 -1.544 1.219 -6.854 210 H ILE 25 H ILE 25 -0.074 -4.417 -3.704 211 HA ILE 25 HA ILE 25 0.956 -5.779 -6.032 212 HB ILE 25 HB ILE 25 -1.561 -6.558 -4.781 213 HG12 ILE 25 HG12 ILE 25 -0.131 -5.995 -2.839 214 HG13 ILE 25 HG13 ILE 25 -0.573 -7.681 -2.894 215 HG21 ILE 25 HG21 ILE 25 -0.551 -8.862 -5.125 216 HG22 ILE 25 HG22 ILE 25 0.749 -8.039 -5.981 217 HG23 ILE 25 HG23 ILE 25 -0.909 -7.921 -6.571 218 HD11 ILE 25 HD11 ILE 25 1.769 -7.224 -2.188 219 HD12 ILE 25 HD12 ILE 25 2.087 -6.626 -3.817 220 HD13 ILE 25 HD13 ILE 25 1.631 -8.311 -3.569 221 H GLY 26 H GLY 26 0.388 -5.073 -7.906 222 HA2 GLY 26 HA2 GLY 26 -2.153 -3.753 -8.270 223 HA3 GLY 26 HA3 GLY 26 -0.768 -3.452 -9.261 224 H GLY 27 H GLY 27 -3.298 -3.915 -10.221 225 HA2 GLY 27 HA2 GLY 27 -4.242 -4.984 -12.019 226 HA3 GLY 27 HA3 GLY 27 -2.757 -5.896 -12.181 227 H LEU 28 H LEU 28 -4.516 -6.104 -9.161 228 HA LEU 28 HA LEU 28 -4.683 -8.867 -9.147 229 HB2 LEU 28 HB2 LEU 28 -6.534 -6.947 -7.708 230 HB3 LEU 28 HB3 LEU 28 -6.230 -8.614 -7.272 231 HG LEU 28 HG LEU 28 -4.060 -6.519 -7.233 232 HD11 LEU 28 HD11 LEU 28 -4.470 -6.307 -4.839 233 HD12 LEU 28 HD12 LEU 28 -5.866 -7.377 -4.973 234 HD13 LEU 28 HD13 LEU 28 -5.880 -5.803 -5.769 235 HD21 LEU 28 HD21 LEU 28 -3.249 -8.794 -7.233 236 HD22 LEU 28 HD22 LEU 28 -4.360 -9.229 -5.936 237 HD23 LEU 28 HD23 LEU 28 -3.037 -8.106 -5.624 238 H SER 29 H SER 29 -6.907 -10.081 -8.958 239 HA SER 29 HA SER 29 -8.438 -9.459 -11.339 240 HB2 SER 29 HB2 SER 29 -7.247 -11.724 -10.936 241 HB3 SER 29 HB3 SER 29 -8.546 -12.044 -9.787 242 HG SER 29 HG SER 29 -9.372 -11.113 -12.244 243 H TRP 30 H TRP 30 -10.709 -10.340 -11.105 244 HA TRP 30 HA TRP 30 -12.156 -8.745 -9.287 245 HB2 TRP 30 HB2 TRP 30 -14.098 -9.667 -10.461 246 HB3 TRP 30 HB3 TRP 30 -12.884 -9.134 -11.596 247 HD1 TRP 30 HD1 TRP 30 -11.067 -11.698 -11.773 248 HE1 TRP 30 HE1 TRP 30 -11.937 -13.867 -12.798 249 HE3 TRP 30 HE3 TRP 30 -16.110 -10.877 -11.330 250 HZ2 TRP 30 HZ2 TRP 30 -14.377 -15.076 -13.381 251 HZ3 TRP 30 HZ3 TRP 30 -17.643 -12.614 -12.164 252 HH2 TRP 30 HH2 TRP 30 -16.793 -14.671 -13.170 253 H GLN 31 H GLN 31 -10.900 -11.878 -9.183 254 HA GLN 31 HA GLN 31 -12.795 -12.890 -7.215 255 HB2 GLN 31 HB2 GLN 31 -10.593 -14.148 -8.818 256 HB3 GLN 31 HB3 GLN 31 -11.472 -15.018 -7.565 257 HG2 GLN 31 HG2 GLN 31 -13.574 -14.562 -8.828 258 HG3 GLN 31 HG3 GLN 31 -12.584 -13.874 -10.116 259 HE21 GLN 31 HE21 GLN 31 -13.383 -16.769 -8.361 260 HE22 GLN 31 HE22 GLN 31 -12.803 -17.890 -9.540 261 H THR 32 H THR 32 -9.572 -11.720 -7.537 262 HA THR 32 HA THR 32 -8.421 -12.872 -5.242 263 HB THR 32 HB THR 32 -7.530 -10.267 -6.267 264 HG1 THR 32 HG1 THR 32 -7.371 -11.031 -8.223 265 HG21 THR 32 HG21 THR 32 -5.302 -11.290 -5.988 266 HG22 THR 32 HG22 THR 32 -6.080 -12.782 -5.461 267 HG23 THR 32 HG23 THR 32 -6.236 -11.318 -4.493 268 H SER 33 H SER 33 -9.035 -12.602 -3.258 269 HA SER 33 HA SER 33 -10.080 -10.042 -2.265 270 HB2 SER 33 HB2 SER 33 -10.314 -12.878 -1.240 271 HB3 SER 33 HB3 SER 33 -10.870 -11.478 -0.330 272 HG SER 33 HG SER 33 -12.446 -11.140 -1.777 273 HA PRO 34 HA PRO 34 -6.476 -9.249 0.264 274 HB2 PRO 34 HB2 PRO 34 -7.542 -8.898 2.805 275 HB3 PRO 34 HB3 PRO 34 -7.428 -7.633 1.572 276 HG2 PRO 34 HG2 PRO 34 -9.763 -9.350 2.289 277 HG3 PRO 34 HG3 PRO 34 -9.717 -7.626 1.869 278 HD2 PRO 34 HD2 PRO 34 -10.533 -9.421 0.090 279 HD3 PRO 34 HD3 PRO 34 -9.527 -8.048 -0.404 280 H ASP 35 H ASP 35 -8.726 -11.640 1.276 281 HA ASP 35 HA ASP 35 -6.973 -13.021 3.079 282 HB2 ASP 35 HB2 ASP 35 -9.686 -13.332 2.097 283 HB3 ASP 35 HB3 ASP 35 -8.893 -14.801 2.580 284 H SER 36 H SER 36 -8.021 -13.208 -0.193 285 HA SER 36 HA SER 36 -6.843 -15.709 -0.892 286 HB2 SER 36 HB2 SER 36 -8.719 -14.595 -2.159 287 HB3 SER 36 HB3 SER 36 -7.544 -13.420 -2.749 288 HG SER 36 HG SER 36 -6.357 -15.342 -3.531 289 H LEU 37 H LEU 37 -5.822 -12.322 -0.929 290 HA LEU 37 HA LEU 37 -3.398 -12.685 -2.319 291 HB2 LEU 37 HB2 LEU 37 -5.027 -10.663 -1.067 292 HB3 LEU 37 HB3 LEU 37 -3.361 -10.438 -0.680 293 HG LEU 37 HG LEU 37 -4.361 -10.703 -3.489 294 HD11 LEU 37 HD11 LEU 37 -3.890 -8.208 -1.876 295 HD12 LEU 37 HD12 LEU 37 -5.438 -8.802 -2.486 296 HD13 LEU 37 HD13 LEU 37 -4.199 -8.253 -3.613 297 HD21 LEU 37 HD21 LEU 37 -1.925 -11.087 -3.030 298 HD22 LEU 37 HD22 LEU 37 -1.836 -9.412 -2.503 299 HD23 LEU 37 HD23 LEU 37 -2.284 -9.792 -4.165 300 H ARG 38 H ARG 38 -4.420 -12.634 1.039 301 HA ARG 38 HA ARG 38 -1.878 -12.745 2.236 302 HB2 ARG 38 HB2 ARG 38 -4.346 -12.193 3.176 303 HB3 ARG 38 HB3 ARG 38 -4.219 -13.875 3.670 304 HG2 ARG 38 HG2 ARG 38 -2.200 -13.386 4.920 305 HG3 ARG 38 HG3 ARG 38 -2.245 -11.711 4.373 306 HD2 ARG 38 HD2 ARG 38 -4.500 -12.969 5.916 307 HD3 ARG 38 HD3 ARG 38 -3.134 -12.188 6.709 308 HE ARG 38 HE ARG 38 -4.028 -10.317 4.948 309 HH11 ARG 38 HH11 ARG 38 -5.580 -12.118 7.530 310 HH12 ARG 38 HH12 ARG 38 -6.727 -10.865 7.869 311 HH21 ARG 38 HH21 ARG 38 -6.706 -8.929 6.663 312 HH22 ARG 38 HH22 ARG 38 -5.545 -8.696 5.400 313 H ASP 39 H ASP 39 -4.363 -15.103 1.341 314 HA ASP 39 HA ASP 39 -3.040 -17.407 2.261 315 HB2 ASP 39 HB2 ASP 39 -5.373 -16.806 0.570 316 HB3 ASP 39 HB3 ASP 39 -4.600 -18.353 0.243 317 H TYR 40 H TYR 40 -2.989 -15.732 -0.885 318 HA TYR 40 HA TYR 40 -1.536 -17.740 -2.265 319 HB2 TYR 40 HB2 TYR 40 -3.040 -15.731 -3.124 320 HB3 TYR 40 HB3 TYR 40 -1.490 -14.899 -3.174 321 HD1 TYR 40 HD1 TYR 40 0.021 -15.275 -4.949 322 HD2 TYR 40 HD2 TYR 40 -3.305 -17.873 -4.436 323 HE1 TYR 40 HE1 TYR 40 0.504 -16.313 -7.126 324 HE2 TYR 40 HE2 TYR 40 -2.836 -18.917 -6.613 325 HH TYR 40 HH TYR 40 -1.685 -18.332 -8.726 326 H PHE 41 H PHE 41 -0.637 -14.568 -0.917 327 HA PHE 41 HA PHE 41 2.087 -14.758 -1.589 328 HB2 PHE 41 HB2 PHE 41 0.367 -12.885 -0.153 329 HB3 PHE 41 HB3 PHE 41 2.090 -12.737 0.074 330 HD1 PHE 41 HD1 PHE 41 -0.611 -12.764 -2.425 331 HD2 PHE 41 HD2 PHE 41 3.472 -11.833 -1.673 332 HE1 PHE 41 HE1 PHE 41 -0.443 -11.662 -4.631 333 HE2 PHE 41 HE2 PHE 41 3.638 -10.727 -3.852 334 HZ PHE 41 HZ PHE 41 1.680 -10.642 -5.339 335 H SER 42 H SER 42 0.284 -15.835 1.195 336 HA SER 42 HA SER 42 2.359 -15.901 3.120 337 HB2 SER 42 HB2 SER 42 -0.259 -17.315 2.843 338 HB3 SER 42 HB3 SER 42 0.900 -17.913 4.031 339 HG SER 42 HG SER 42 0.012 -16.414 5.223 340 H LYS 43 H LYS 43 1.819 -17.480 0.353 341 HA LYS 43 HA LYS 43 3.130 -19.976 0.874 342 HB2 LYS 43 HB2 LYS 43 1.833 -18.661 -1.458 343 HB3 LYS 43 HB3 LYS 43 2.893 -20.016 -1.735 344 HG2 LYS 43 HG2 LYS 43 1.094 -20.692 0.367 345 HG3 LYS 43 HG3 LYS 43 0.180 -20.057 -1.000 346 HD2 LYS 43 HD2 LYS 43 1.292 -21.660 -2.484 347 HD3 LYS 43 HD3 LYS 43 2.206 -22.291 -1.112 348 HE2 LYS 43 HE2 LYS 43 0.130 -22.984 -0.035 349 HE3 LYS 43 HE3 LYS 43 -0.798 -22.323 -1.381 350 HZ1 LYS 43 HZ1 LYS 43 0.270 -23.919 -2.851 351 HZ2 LYS 43 HZ2 LYS 43 -0.527 -24.712 -1.587 352 HZ3 LYS 43 HZ3 LYS 43 1.156 -24.553 -1.557 353 H PHE 44 H PHE 44 4.097 -16.839 0.103 354 HA PHE 44 HA PHE 44 6.647 -17.631 -1.117 355 HB2 PHE 44 HB2 PHE 44 4.912 -15.435 -1.446 356 HB3 PHE 44 HB3 PHE 44 6.414 -14.831 -0.775 357 HD1 PHE 44 HD1 PHE 44 4.766 -16.202 -3.676 358 HD2 PHE 44 HD2 PHE 44 8.539 -15.166 -1.997 359 HE1 PHE 44 HE1 PHE 44 5.780 -16.280 -5.914 360 HE2 PHE 44 HE2 PHE 44 9.559 -15.243 -4.236 361 HZ PHE 44 HZ PHE 44 8.178 -15.801 -6.198 362 H GLY 45 H GLY 45 5.200 -16.183 1.681 363 HA2 GLY 45 HA2 GLY 45 7.320 -16.735 3.419 364 HA3 GLY 45 HA3 GLY 45 7.280 -15.026 3.012 365 H GLU 46 H GLU 46 6.762 -14.687 5.237 366 HA GLU 46 HA GLU 46 4.090 -15.384 5.999 367 HB2 GLU 46 HB2 GLU 46 6.033 -15.933 7.542 368 HB3 GLU 46 HB3 GLU 46 6.137 -14.200 7.841 369 HG2 GLU 46 HG2 GLU 46 3.945 -14.135 8.745 370 HG3 GLU 46 HG3 GLU 46 3.608 -15.777 8.218 371 H ILE 47 H ILE 47 2.642 -13.999 6.253 372 HA ILE 47 HA ILE 47 3.147 -11.189 5.676 373 HB ILE 47 HB ILE 47 0.630 -12.721 5.324 374 HG12 ILE 47 HG12 ILE 47 1.780 -11.393 3.052 375 HG13 ILE 47 HG13 ILE 47 2.865 -12.566 3.775 376 HG21 ILE 47 HG21 ILE 47 1.182 -9.813 4.865 377 HG22 ILE 47 HG22 ILE 47 -0.078 -10.521 5.875 378 HG23 ILE 47 HG23 ILE 47 -0.173 -10.660 4.119 379 HD11 ILE 47 HD11 ILE 47 0.670 -14.078 3.620 380 HD12 ILE 47 HD12 ILE 47 1.790 -13.934 2.265 381 HD13 ILE 47 HD13 ILE 47 0.319 -12.960 2.307 382 H ARG 48 H ARG 48 2.531 -9.590 6.921 383 HA ARG 48 HA ARG 48 1.794 -10.115 9.670 384 HB2 ARG 48 HB2 ARG 48 3.509 -8.389 8.557 385 HB3 ARG 48 HB3 ARG 48 2.084 -7.381 8.528 386 HG2 ARG 48 HG2 ARG 48 1.874 -7.422 10.874 387 HG3 ARG 48 HG3 ARG 48 3.070 -8.709 11.032 388 HD2 ARG 48 HD2 ARG 48 4.806 -7.200 10.210 389 HD3 ARG 48 HD3 ARG 48 3.612 -5.915 10.028 390 HE ARG 48 HE ARG 48 3.393 -6.583 12.637 391 HH11 ARG 48 HH11 ARG 48 7.034 -5.020 11.981 392 HH12 ARG 48 HH12 ARG 48 6.158 -5.714 10.659 393 HH21 ARG 48 HH21 ARG 48 6.128 -4.994 14.075 394 HH22 ARG 48 HH22 ARG 48 4.557 -5.666 14.358 395 H GLU 49 H GLU 49 0.577 -8.441 6.821 396 HA GLU 49 HA GLU 49 -2.159 -8.701 7.520 397 HB2 GLU 49 HB2 GLU 49 -1.212 -6.654 8.889 398 HB3 GLU 49 HB3 GLU 49 -1.304 -5.826 7.342 399 HG2 GLU 49 HG2 GLU 49 -3.706 -6.377 7.229 400 HG3 GLU 49 HG3 GLU 49 -3.586 -7.118 8.824 401 H CYS 50 H CYS 50 -3.502 -7.869 5.818 402 HA CYS 50 HA CYS 50 -2.225 -7.115 3.376 403 HB2 CYS 50 HB2 CYS 50 -2.521 -9.532 3.206 404 HB3 CYS 50 HB3 CYS 50 -4.232 -9.356 3.579 405 HG CYS 50 HG CYS 50 -3.114 -9.705 0.716 406 H MET 51 H MET 51 -3.540 -6.046 1.955 407 HA MET 51 HA MET 51 -6.130 -5.123 2.816 408 HB2 MET 51 HB2 MET 51 -4.591 -3.605 3.895 409 HB3 MET 51 HB3 MET 51 -3.849 -3.284 2.356 410 HG2 MET 51 HG2 MET 51 -5.829 -2.174 1.563 411 HG3 MET 51 HG3 MET 51 -6.679 -2.586 3.053 412 HE1 MET 51 HE1 MET 51 -7.178 0.176 2.741 413 HE2 MET 51 HE2 MET 51 -5.930 0.405 1.516 414 HE3 MET 51 HE3 MET 51 -5.917 1.385 2.982 415 H VAL 52 H VAL 52 -7.443 -4.836 1.257 416 HA VAL 52 HA VAL 52 -6.562 -4.274 -1.468 417 HB VAL 52 HB VAL 52 -8.793 -6.095 -0.730 418 HG11 VAL 52 HG11 VAL 52 -8.958 -6.634 -3.108 419 HG12 VAL 52 HG12 VAL 52 -7.687 -5.457 -3.448 420 HG13 VAL 52 HG13 VAL 52 -9.244 -4.915 -2.821 421 HG21 VAL 52 HG21 VAL 52 -6.503 -6.997 -0.335 422 HG22 VAL 52 HG22 VAL 52 -6.230 -6.833 -2.069 423 HG23 VAL 52 HG23 VAL 52 -7.478 -7.929 -1.474 424 H MET 53 H MET 53 -7.431 -2.560 -2.256 425 HA MET 53 HA MET 53 -9.156 -0.857 -0.784 426 HB2 MET 53 HB2 MET 53 -7.554 -0.689 -3.202 427 HB3 MET 53 HB3 MET 53 -9.072 0.181 -3.356 428 HG2 MET 53 HG2 MET 53 -7.061 0.559 -1.150 429 HG3 MET 53 HG3 MET 53 -7.252 1.603 -2.554 430 HE1 MET 53 HE1 MET 53 -7.530 3.761 -1.094 431 HE2 MET 53 HE2 MET 53 -7.257 2.786 0.351 432 HE3 MET 53 HE3 MET 53 -8.635 3.885 0.276 433 H ARG 54 H ARG 54 -11.249 -0.794 -0.687 434 HA ARG 54 HA ARG 54 -12.896 -1.616 -2.969 435 HB2 ARG 54 HB2 ARG 54 -12.846 -2.786 -0.244 436 HB3 ARG 54 HB3 ARG 54 -14.437 -2.511 -0.943 437 HG2 ARG 54 HG2 ARG 54 -13.896 -3.909 -2.829 438 HG3 ARG 54 HG3 ARG 54 -12.236 -4.092 -2.257 439 HD2 ARG 54 HD2 ARG 54 -12.989 -5.280 -0.303 440 HD3 ARG 54 HD3 ARG 54 -14.675 -4.978 -0.721 441 HE ARG 54 HE ARG 54 -13.536 -6.330 -2.861 442 HH11 ARG 54 HH11 ARG 54 -14.395 -8.700 0.267 443 HH12 ARG 54 HH12 ARG 54 -14.215 -6.995 0.519 444 HH21 ARG 54 HH21 ARG 54 -13.782 -8.565 -3.170 445 HH22 ARG 54 HH22 ARG 54 -14.150 -9.586 -1.820 446 H ASP 55 H ASP 55 -15.044 -0.687 -2.954 447 HA ASP 55 HA ASP 55 -15.171 1.832 -1.589 448 HB2 ASP 55 HB2 ASP 55 -16.161 0.799 -4.120 449 HB3 ASP 55 HB3 ASP 55 -17.180 1.966 -3.326 450 HA PRO 56 HA PRO 56 -18.219 -0.143 1.177 451 HB2 PRO 56 HB2 PRO 56 -18.636 2.664 2.034 452 HB3 PRO 56 HB3 PRO 56 -18.271 1.233 3.006 453 HG2 PRO 56 HG2 PRO 56 -16.408 3.075 2.568 454 HG3 PRO 56 HG3 PRO 56 -16.003 1.346 2.598 455 HD2 PRO 56 HD2 PRO 56 -16.309 3.170 0.253 456 HD3 PRO 56 HD3 PRO 56 -15.145 1.854 0.522 457 H THR 57 H THR 57 -18.816 2.112 -1.321 458 HA THR 57 HA THR 57 -21.594 2.537 -0.776 459 HB THR 57 HB THR 57 -21.603 3.550 -3.109 460 HG1 THR 57 HG1 THR 57 -18.890 2.812 -2.833 461 HG21 THR 57 HG21 THR 57 -19.718 4.648 -1.023 462 HG22 THR 57 HG22 THR 57 -21.455 4.938 -1.127 463 HG23 THR 57 HG23 THR 57 -20.378 5.568 -2.374 464 H THR 58 H THR 58 -19.758 0.651 -3.159 465 HA THR 58 HA THR 58 -22.178 -0.953 -3.666 466 HB THR 58 HB THR 58 -21.498 -1.219 -6.016 467 HG1 THR 58 HG1 THR 58 -19.651 -0.411 -6.751 468 HG21 THR 58 HG21 THR 58 -21.892 1.147 -6.746 469 HG22 THR 58 HG22 THR 58 -21.765 1.620 -5.048 470 HG23 THR 58 HG23 THR 58 -23.062 0.542 -5.570 471 H LYS 59 H LYS 59 -19.027 -0.955 -2.596 472 HA LYS 59 HA LYS 59 -17.446 -2.474 -2.099 473 HB2 LYS 59 HB2 LYS 59 -19.891 -4.218 -2.049 474 HB3 LYS 59 HB3 LYS 59 -18.294 -4.846 -1.642 475 HG2 LYS 59 HG2 LYS 59 -18.492 -4.015 0.406 476 HG3 LYS 59 HG3 LYS 59 -18.617 -2.395 -0.295 477 HD2 LYS 59 HD2 LYS 59 -21.057 -2.792 -0.608 478 HD3 LYS 59 HD3 LYS 59 -20.881 -4.309 0.276 479 HE2 LYS 59 HE2 LYS 59 -20.110 -1.621 1.394 480 HE3 LYS 59 HE3 LYS 59 -21.690 -2.359 1.637 481 HZ1 LYS 59 HZ1 LYS 59 -20.655 -4.199 2.763 482 HZ2 LYS 59 HZ2 LYS 59 -20.158 -2.757 3.494 483 HZ3 LYS 59 HZ3 LYS 59 -19.110 -3.582 2.455 484 H ARG 60 H ARG 60 -17.161 -1.761 -4.429 485 HA ARG 60 HA ARG 60 -16.658 -4.123 -6.137 486 HB2 ARG 60 HB2 ARG 60 -16.855 -1.202 -6.914 487 HB3 ARG 60 HB3 ARG 60 -16.505 -2.521 -8.021 488 HG2 ARG 60 HG2 ARG 60 -18.708 -3.481 -7.576 489 HG3 ARG 60 HG3 ARG 60 -19.051 -2.161 -6.455 490 HD2 ARG 60 HD2 ARG 60 -20.077 -1.423 -8.392 491 HD3 ARG 60 HD3 ARG 60 -18.500 -0.642 -8.490 492 HE ARG 60 HE ARG 60 -18.416 -3.142 -9.797 493 HH11 ARG 60 HH11 ARG 60 -19.693 -0.018 -11.974 494 HH12 ARG 60 HH12 ARG 60 -19.708 0.091 -10.247 495 HH21 ARG 60 HH21 ARG 60 -18.417 -3.269 -12.059 496 HH22 ARG 60 HH22 ARG 60 -18.962 -1.921 -13.000 497 H SER 61 H SER 61 -14.596 -4.608 -6.746 498 HA SER 61 HA SER 61 -12.434 -3.151 -5.440 499 HB2 SER 61 HB2 SER 61 -12.478 -5.761 -6.969 500 HB3 SER 61 HB3 SER 61 -11.025 -5.060 -6.257 501 HG SER 61 HG SER 61 -11.707 -5.582 -4.314 502 H ARG 62 H ARG 62 -10.591 -2.349 -6.530 503 HA ARG 62 HA ARG 62 -11.137 -1.503 -9.278 504 HB2 ARG 62 HB2 ARG 62 -9.397 -0.407 -7.096 505 HB3 ARG 62 HB3 ARG 62 -9.108 0.042 -8.772 506 HG2 ARG 62 HG2 ARG 62 -11.379 0.907 -8.945 507 HG3 ARG 62 HG3 ARG 62 -11.691 0.437 -7.274 508 HD2 ARG 62 HD2 ARG 62 -10.021 1.986 -6.480 509 HD3 ARG 62 HD3 ARG 62 -9.549 2.378 -8.133 510 HE ARG 62 HE ARG 62 -12.196 2.991 -8.050 511 HH11 ARG 62 HH11 ARG 62 -10.131 5.539 -5.732 512 HH12 ARG 62 HH12 ARG 62 -9.449 3.991 -6.102 513 HH21 ARG 62 HH21 ARG 62 -13.067 5.022 -7.548 514 HH22 ARG 62 HH22 ARG 62 -12.176 6.121 -6.551 515 H GLY 63 H GLY 63 -9.314 -3.794 -7.642 516 HA2 GLY 63 HA2 GLY 63 -8.044 -5.468 -8.694 517 HA3 GLY 63 HA3 GLY 63 -7.808 -4.401 -10.065 518 H PHE 64 H PHE 64 -7.181 -3.439 -6.728 519 HA PHE 64 HA PHE 64 -4.345 -3.929 -6.943 520 HB2 PHE 64 HB2 PHE 64 -3.550 -1.720 -6.867 521 HB3 PHE 64 HB3 PHE 64 -4.762 -1.734 -8.135 522 HD1 PHE 64 HD1 PHE 64 -6.488 -0.177 -8.112 523 HD2 PHE 64 HD2 PHE 64 -4.251 -0.893 -4.590 524 HE1 PHE 64 HE1 PHE 64 -7.573 1.767 -7.046 525 HE2 PHE 64 HE2 PHE 64 -5.308 1.054 -3.500 526 HZ PHE 64 HZ PHE 64 -6.982 2.385 -4.733 527 H GLY 65 H GLY 65 -3.201 -3.796 -4.968 528 HA2 GLY 65 HA2 GLY 65 -4.477 -2.958 -2.596 529 HA3 GLY 65 HA3 GLY 65 -4.409 -4.707 -2.742 530 H PHE 66 H PHE 66 -3.110 -4.277 -0.785 531 HA PHE 66 HA PHE 66 -0.313 -4.149 -1.335 532 HB2 PHE 66 HB2 PHE 66 -1.845 -2.893 0.881 533 HB3 PHE 66 HB3 PHE 66 -0.125 -3.045 0.878 534 HD1 PHE 66 HD1 PHE 66 1.245 -1.495 -0.334 535 HD2 PHE 66 HD2 PHE 66 -2.987 -1.484 -0.783 536 HE1 PHE 66 HE1 PHE 66 1.382 0.651 -1.538 537 HE2 PHE 66 HE2 PHE 66 -2.858 0.657 -1.992 538 HZ PHE 66 HZ PHE 66 -0.672 1.724 -2.374 539 H VAL 67 H VAL 67 0.914 -5.207 0.352 540 HA VAL 67 HA VAL 67 -0.394 -7.028 2.160 541 HB VAL 67 HB VAL 67 1.383 -8.121 -0.058 542 HG11 VAL 67 HG11 VAL 67 2.160 -9.542 1.513 543 HG12 VAL 67 HG12 VAL 67 0.587 -10.323 1.351 544 HG13 VAL 67 HG13 VAL 67 0.860 -9.149 2.640 545 HG21 VAL 67 HG21 VAL 67 -1.032 -7.886 -0.630 546 HG22 VAL 67 HG22 VAL 67 -1.410 -8.967 0.711 547 HG23 VAL 67 HG23 VAL 67 -0.462 -9.559 -0.654 548 H THR 68 H THR 68 0.658 -7.193 3.862 549 HA THR 68 HA THR 68 3.247 -5.899 4.032 550 HB THR 68 HB THR 68 1.514 -6.457 6.344 551 HG1 THR 68 HG1 THR 68 0.494 -5.282 4.397 552 HG21 THR 68 HG21 THR 68 3.127 -5.329 7.412 553 HG22 THR 68 HG22 THR 68 2.804 -3.925 6.401 554 HG23 THR 68 HG23 THR 68 3.986 -5.140 5.877 555 H PHE 69 H PHE 69 4.779 -7.296 3.888 556 HA PHE 69 HA PHE 69 4.606 -9.911 4.992 557 HB2 PHE 69 HB2 PHE 69 6.595 -8.417 3.375 558 HB3 PHE 69 HB3 PHE 69 7.081 -9.885 4.199 559 HD1 PHE 69 HD1 PHE 69 5.249 -8.486 1.446 560 HD2 PHE 69 HD2 PHE 69 5.909 -12.027 3.709 561 HE1 PHE 69 HE1 PHE 69 4.230 -9.830 -0.354 562 HE2 PHE 69 HE2 PHE 69 4.901 -13.370 1.920 563 HZ PHE 69 HZ PHE 69 4.074 -12.278 -0.104 564 H ALA 70 H ALA 70 5.131 -10.476 7.004 565 HA ALA 70 HA ALA 70 6.307 -8.627 8.787 566 HB1 ALA 70 HB1 ALA 70 5.577 -11.472 9.362 567 HB2 ALA 70 HB2 ALA 70 4.451 -10.121 9.456 568 HB3 ALA 70 HB3 ALA 70 5.834 -10.191 10.546 569 H ASP 71 H ASP 71 7.757 -10.393 6.672 570 HA ASP 71 HA ASP 71 10.152 -10.754 8.250 571 HB2 ASP 71 HB2 ASP 71 8.845 -12.838 7.419 572 HB3 ASP 71 HB3 ASP 71 9.592 -12.471 5.897 573 HA PRO 72 HA PRO 72 11.938 -8.244 4.953 574 HB2 PRO 72 HB2 PRO 72 14.530 -8.996 5.951 575 HB3 PRO 72 HB3 PRO 72 13.775 -7.426 5.938 576 HG2 PRO 72 HG2 PRO 72 14.224 -8.762 8.227 577 HG3 PRO 72 HG3 PRO 72 12.846 -7.665 8.013 578 HD2 PRO 72 HD2 PRO 72 12.916 -10.649 7.893 579 HD3 PRO 72 HD3 PRO 72 11.694 -9.566 8.595 580 H ALA 73 H ALA 73 12.526 -11.499 5.666 581 HA ALA 73 HA ALA 73 14.325 -12.064 3.527 582 HB1 ALA 73 HB1 ALA 73 14.329 -13.423 5.561 583 HB2 ALA 73 HB2 ALA 73 14.071 -14.402 4.118 584 HB3 ALA 73 HB3 ALA 73 12.710 -13.995 5.163 585 H SER 74 H SER 74 10.917 -12.095 3.964 586 HA SER 74 HA SER 74 10.249 -13.622 1.645 587 HB2 SER 74 HB2 SER 74 8.771 -13.156 3.708 588 HB3 SER 74 HB3 SER 74 8.386 -11.636 2.898 589 HG SER 74 HG SER 74 6.900 -13.280 2.350 590 H VAL 75 H VAL 75 10.815 -10.304 2.299 591 HA VAL 75 HA VAL 75 9.852 -9.219 -0.120 592 HB VAL 75 HB VAL 75 12.014 -8.004 1.608 593 HG11 VAL 75 HG11 VAL 75 11.188 -5.855 0.840 594 HG12 VAL 75 HG12 VAL 75 9.905 -6.646 -0.073 595 HG13 VAL 75 HG13 VAL 75 11.589 -6.873 -0.545 596 HG21 VAL 75 HG21 VAL 75 10.281 -6.878 2.912 597 HG22 VAL 75 HG22 VAL 75 10.150 -8.630 3.059 598 HG23 VAL 75 HG23 VAL 75 9.034 -7.748 2.018 599 H ASP 76 H ASP 76 12.808 -10.581 0.960 600 HA ASP 76 HA ASP 76 14.465 -9.872 -1.203 601 HB2 ASP 76 HB2 ASP 76 14.971 -10.784 1.216 602 HB3 ASP 76 HB3 ASP 76 14.907 -12.332 0.407 603 H LYS 77 H LYS 77 12.561 -12.633 -0.363 604 HA LYS 77 HA LYS 77 13.172 -14.297 -2.521 605 HB2 LYS 77 HB2 LYS 77 10.770 -14.262 -0.714 606 HB3 LYS 77 HB3 LYS 77 11.071 -15.523 -1.899 607 HG2 LYS 77 HG2 LYS 77 13.312 -15.852 -0.701 608 HG3 LYS 77 HG3 LYS 77 12.603 -14.893 0.599 609 HD2 LYS 77 HD2 LYS 77 10.777 -16.475 0.812 610 HD3 LYS 77 HD3 LYS 77 11.401 -17.412 -0.548 611 HE2 LYS 77 HE2 LYS 77 13.442 -17.883 0.723 612 HE3 LYS 77 HE3 LYS 77 12.808 -16.954 2.081 613 HZ1 LYS 77 HZ1 LYS 77 11.561 -19.401 0.948 614 HZ2 LYS 77 HZ2 LYS 77 10.999 -18.526 2.283 615 HZ3 LYS 77 HZ3 LYS 77 12.479 -19.340 2.368 616 H VAL 78 H VAL 78 10.598 -11.978 -2.042 617 HA VAL 78 HA VAL 78 9.297 -12.505 -4.530 618 HB VAL 78 HB VAL 78 8.933 -10.175 -2.628 619 HG11 VAL 78 HG11 VAL 78 7.158 -11.030 -4.920 620 HG12 VAL 78 HG12 VAL 78 8.168 -9.585 -4.890 621 HG13 VAL 78 HG13 VAL 78 6.818 -9.740 -3.766 622 HG21 VAL 78 HG21 VAL 78 8.320 -12.251 -1.577 623 HG22 VAL 78 HG22 VAL 78 7.387 -12.740 -2.991 624 HG23 VAL 78 HG23 VAL 78 6.845 -11.383 -2.004 625 H LEU 79 H LEU 79 11.782 -10.288 -3.421 626 HA LEU 79 HA LEU 79 11.803 -8.398 -5.456 627 HB2 LEU 79 HB2 LEU 79 13.059 -8.942 -3.097 628 HB3 LEU 79 HB3 LEU 79 14.336 -9.206 -4.241 629 HG LEU 79 HG LEU 79 14.351 -6.982 -3.231 630 HD11 LEU 79 HD11 LEU 79 15.395 -7.261 -5.396 631 HD12 LEU 79 HD12 LEU 79 14.641 -5.670 -5.285 632 HD13 LEU 79 HD13 LEU 79 13.853 -6.957 -6.198 633 HD21 LEU 79 HD21 LEU 79 11.758 -6.886 -3.222 634 HD22 LEU 79 HD22 LEU 79 11.965 -6.178 -4.827 635 HD23 LEU 79 HD23 LEU 79 12.690 -5.401 -3.421 636 H GLY 80 H GLY 80 13.373 -11.561 -5.165 637 HA2 GLY 80 HA2 GLY 80 14.913 -11.315 -7.532 638 HA3 GLY 80 HA3 GLY 80 14.700 -12.773 -6.600 639 H GLN 81 H GLN 81 11.775 -12.519 -6.783 640 HA GLN 81 HA GLN 81 11.406 -13.536 -9.485 641 HB2 GLN 81 HB2 GLN 81 9.992 -13.962 -6.863 642 HB3 GLN 81 HB3 GLN 81 9.310 -14.483 -8.382 643 HG2 GLN 81 HG2 GLN 81 11.282 -15.881 -8.791 644 HG3 GLN 81 HG3 GLN 81 11.946 -15.346 -7.247 645 HE21 GLN 81 HE21 GLN 81 9.467 -17.248 -8.801 646 HE22 GLN 81 HE22 GLN 81 9.039 -18.185 -7.416 647 HA PRO 82 HA PRO 82 9.170 -9.473 -9.659 648 HB2 PRO 82 HB2 PRO 82 9.884 -9.369 -12.465 649 HB3 PRO 82 HB3 PRO 82 10.394 -8.296 -11.157 650 HG2 PRO 82 HG2 PRO 82 12.098 -9.988 -12.427 651 HG3 PRO 82 HG3 PRO 82 12.310 -9.467 -10.744 652 HD2 PRO 82 HD2 PRO 82 11.194 -12.036 -11.797 653 HD3 PRO 82 HD3 PRO 82 12.296 -11.756 -10.431 654 H HIS 83 H HIS 83 8.904 -12.351 -11.606 655 HA HIS 83 HA HIS 83 6.468 -11.480 -12.930 656 HB2 HIS 83 HB2 HIS 83 8.356 -12.995 -13.893 657 HB3 HIS 83 HB3 HIS 83 7.546 -14.280 -13.006 658 HD1 HIS 83 HD1 HIS 83 5.337 -15.156 -13.960 659 HD2 HIS 83 HD2 HIS 83 6.882 -11.925 -16.068 660 HE1 HIS 83 HE1 HIS 83 3.955 -14.996 -16.056 661 HE2 HIS 83 HE2 HIS 83 4.907 -13.032 -17.315 662 H HIS 84 H HIS 84 4.495 -11.765 -12.130 663 HA HIS 84 HA HIS 84 3.938 -13.940 -10.254 664 HB2 HIS 84 HB2 HIS 84 4.249 -11.396 -9.374 665 HB3 HIS 84 HB3 HIS 84 2.537 -11.370 -9.782 666 HD1 HIS 84 HD1 HIS 84 4.941 -12.697 -7.298 667 HD2 HIS 84 HD2 HIS 84 0.920 -13.144 -8.246 668 HE1 HIS 84 HE1 HIS 84 3.914 -13.879 -5.330 669 HE2 HIS 84 HE2 HIS 84 1.480 -14.138 -5.924 670 H GLU 85 H GLU 85 2.277 -15.061 -10.990 671 HA GLU 85 HA GLU 85 0.442 -13.850 -12.832 672 HB2 GLU 85 HB2 GLU 85 2.056 -15.893 -13.427 673 HB3 GLU 85 HB3 GLU 85 0.727 -16.803 -12.724 674 HG2 GLU 85 HG2 GLU 85 -0.814 -15.868 -14.334 675 HG3 GLU 85 HG3 GLU 85 0.464 -14.853 -15.001 676 H LEU 86 H LEU 86 -1.579 -13.906 -12.428 677 HA LEU 86 HA LEU 86 -2.796 -15.585 -10.427 678 HB2 LEU 86 HB2 LEU 86 -2.332 -13.613 -9.169 679 HB3 LEU 86 HB3 LEU 86 -2.766 -12.587 -10.510 680 HG LEU 86 HG LEU 86 -5.124 -13.556 -10.210 681 HD11 LEU 86 HD11 LEU 86 -4.662 -15.286 -8.610 682 HD12 LEU 86 HD12 LEU 86 -5.653 -14.053 -7.828 683 HD13 LEU 86 HD13 LEU 86 -3.920 -14.127 -7.506 684 HD21 LEU 86 HD21 LEU 86 -3.809 -11.522 -8.447 685 HD22 LEU 86 HD22 LEU 86 -5.546 -11.816 -8.393 686 HD23 LEU 86 HD23 LEU 86 -4.791 -11.263 -9.889 687 H ASP 87 H ASP 87 -4.671 -16.241 -11.111 688 HA ASP 87 HA ASP 87 -6.360 -16.858 -12.487 689 HB2 ASP 87 HB2 ASP 87 -7.030 -14.714 -11.432 690 HB3 ASP 87 HB3 ASP 87 -6.593 -13.916 -12.915 691 H SER 88 H SER 88 -3.883 -16.822 -13.586 692 HA SER 88 HA SER 88 -2.798 -17.310 -15.527 693 HB2 SER 88 HB2 SER 88 -5.522 -16.926 -16.790 694 HB3 SER 88 HB3 SER 88 -4.096 -17.475 -17.671 695 HG SER 88 HG SER 88 -5.755 -18.869 -16.056 696 H LYS 89 H LYS 89 -3.595 -14.373 -14.596 697 HA LYS 89 HA LYS 89 -2.369 -13.117 -16.921 698 HB2 LYS 89 HB2 LYS 89 -3.537 -10.961 -16.000 699 HB3 LYS 89 HB3 LYS 89 -4.394 -12.056 -17.059 700 HG2 LYS 89 HG2 LYS 89 -5.433 -13.072 -15.007 701 HG3 LYS 89 HG3 LYS 89 -4.691 -11.769 -14.076 702 HD2 LYS 89 HD2 LYS 89 -5.862 -10.142 -15.570 703 HD3 LYS 89 HD3 LYS 89 -6.713 -11.505 -16.297 704 HE2 LYS 89 HE2 LYS 89 -7.653 -12.085 -14.117 705 HE3 LYS 89 HE3 LYS 89 -6.795 -10.730 -13.384 706 HZ1 LYS 89 HZ1 LYS 89 -8.055 -9.236 -14.854 707 HZ2 LYS 89 HZ2 LYS 89 -9.059 -10.113 -13.813 708 HZ3 LYS 89 HZ3 LYS 89 -8.932 -10.559 -15.439 709 H THR 90 H THR 90 -1.085 -11.422 -16.551 710 HA THR 90 HA THR 90 0.677 -11.722 -14.282 711 HB THR 90 HB THR 90 1.027 -9.663 -16.448 712 HG1 THR 90 HG1 THR 90 1.891 -11.246 -17.772 713 HG21 THR 90 HG21 THR 90 3.409 -10.117 -16.098 714 HG22 THR 90 HG22 THR 90 3.007 -11.357 -14.909 715 HG23 THR 90 HG23 THR 90 2.633 -9.666 -14.578 716 H ILE 91 H ILE 91 0.635 -10.533 -12.490 717 HA ILE 91 HA ILE 91 -0.749 -7.936 -12.529 718 HB ILE 91 HB ILE 91 -1.190 -8.229 -10.134 719 HG12 ILE 91 HG12 ILE 91 -0.292 -11.055 -10.387 720 HG13 ILE 91 HG13 ILE 91 0.730 -9.824 -9.678 721 HG21 ILE 91 HG21 ILE 91 -2.144 -10.504 -11.845 722 HG22 ILE 91 HG22 ILE 91 -2.831 -8.879 -11.807 723 HG23 ILE 91 HG23 ILE 91 -2.933 -9.913 -10.382 724 HD11 ILE 91 HD11 ILE 91 -2.021 -10.090 -8.601 725 HD12 ILE 91 HD12 ILE 91 -0.498 -9.731 -7.771 726 HD13 ILE 91 HD13 ILE 91 -0.875 -11.389 -8.232 727 H ASP 92 H ASP 92 0.164 -6.375 -10.656 728 HA ASP 92 HA ASP 92 3.080 -6.475 -11.048 729 HB2 ASP 92 HB2 ASP 92 1.683 -4.738 -12.284 730 HB3 ASP 92 HB3 ASP 92 1.479 -3.957 -10.724 731 HA PRO 93 HA PRO 93 2.834 -6.088 -6.456 732 HB2 PRO 93 HB2 PRO 93 4.742 -8.246 -6.223 733 HB3 PRO 93 HB3 PRO 93 3.064 -8.218 -5.670 734 HG2 PRO 93 HG2 PRO 93 3.928 -9.822 -7.693 735 HG3 PRO 93 HG3 PRO 93 2.267 -9.212 -7.569 736 HD2 PRO 93 HD2 PRO 93 4.526 -8.180 -9.251 737 HD3 PRO 93 HD3 PRO 93 2.818 -8.423 -9.685 738 H LYS 94 H LYS 94 4.067 -4.474 -5.723 739 HA LYS 94 HA LYS 94 6.961 -4.497 -6.301 740 HB2 LYS 94 HB2 LYS 94 5.316 -1.971 -6.429 741 HB3 LYS 94 HB3 LYS 94 6.995 -2.175 -6.889 742 HG2 LYS 94 HG2 LYS 94 4.743 -3.568 -8.308 743 HG3 LYS 94 HG3 LYS 94 5.298 -1.955 -8.761 744 HD2 LYS 94 HD2 LYS 94 7.647 -3.377 -8.670 745 HD3 LYS 94 HD3 LYS 94 6.506 -4.576 -9.281 746 HE2 LYS 94 HE2 LYS 94 5.805 -2.977 -11.020 747 HE3 LYS 94 HE3 LYS 94 7.008 -1.833 -10.427 748 HZ1 LYS 94 HZ1 LYS 94 7.885 -3.006 -12.303 749 HZ2 LYS 94 HZ2 LYS 94 7.537 -4.506 -11.603 750 HZ3 LYS 94 HZ3 LYS 94 8.723 -3.511 -10.922 751 H VAL 95 H VAL 95 8.313 -3.551 -4.795 752 HA VAL 95 HA VAL 95 7.192 -3.180 -2.134 753 HB VAL 95 HB VAL 95 10.083 -3.038 -2.710 754 HG11 VAL 95 HG11 VAL 95 8.697 -4.314 -0.378 755 HG12 VAL 95 HG12 VAL 95 9.082 -2.595 -0.433 756 HG13 VAL 95 HG13 VAL 95 10.379 -3.791 -0.491 757 HG21 VAL 95 HG21 VAL 95 10.116 -5.568 -2.229 758 HG22 VAL 95 HG22 VAL 95 9.713 -5.026 -3.857 759 HG23 VAL 95 HG23 VAL 95 8.434 -5.527 -2.753 760 H ALA 96 H ALA 96 6.796 -1.210 -1.338 761 HA ALA 96 HA ALA 96 6.652 1.038 -1.064 762 HB1 ALA 96 HB1 ALA 96 8.951 0.476 -0.207 763 HB2 ALA 96 HB2 ALA 96 8.666 2.168 -0.616 764 HB3 ALA 96 HB3 ALA 96 9.582 1.138 -1.715 765 H PHE 97 H PHE 97 7.099 3.275 -1.984 766 HA PHE 97 HA PHE 97 6.612 3.238 -4.873 767 HB2 PHE 97 HB2 PHE 97 5.689 4.829 -2.607 768 HB3 PHE 97 HB3 PHE 97 6.194 5.821 -3.966 769 HD1 PHE 97 HD1 PHE 97 4.925 5.898 -5.980 770 HD2 PHE 97 HD2 PHE 97 3.859 3.209 -2.859 771 HE1 PHE 97 HE1 PHE 97 2.769 5.476 -7.087 772 HE2 PHE 97 HE2 PHE 97 1.699 2.781 -3.960 773 HZ PHE 97 HZ PHE 97 1.153 3.915 -6.077 774 HA PRO 98 HA PRO 98 10.863 4.961 -5.054 775 HB2 PRO 98 HB2 PRO 98 10.974 4.316 -7.846 776 HB3 PRO 98 HB3 PRO 98 11.796 3.506 -6.511 777 HG2 PRO 98 HG2 PRO 98 9.807 2.361 -8.021 778 HG3 PRO 98 HG3 PRO 98 10.246 1.855 -6.379 779 HD2 PRO 98 HD2 PRO 98 7.972 3.566 -7.283 780 HD3 PRO 98 HD3 PRO 98 8.034 2.341 -5.999 781 H ARG 99 H ARG 99 11.812 6.783 -5.936 782 HA ARG 99 HA ARG 99 10.036 8.562 -7.486 783 HB2 ARG 99 HB2 ARG 99 12.134 9.113 -5.403 784 HB3 ARG 99 HB3 ARG 99 11.642 10.360 -6.540 785 HG2 ARG 99 HG2 ARG 99 9.302 10.069 -5.756 786 HG3 ARG 99 HG3 ARG 99 9.902 8.952 -4.529 787 HD2 ARG 99 HD2 ARG 99 11.313 10.715 -3.604 788 HD3 ARG 99 HD3 ARG 99 10.743 11.830 -4.844 789 HE ARG 99 HE ARG 99 8.564 10.765 -3.381 790 HH11 ARG 99 HH11 ARG 99 11.159 13.112 -3.086 791 HH12 ARG 99 HH12 ARG 99 10.300 14.090 -1.944 792 HH21 ARG 99 HH21 ARG 99 8.204 13.494 -1.266 793 HH22 ARG 99 HH22 ARG 99 7.456 12.060 -1.886 794 H ARG 100 H ARG 100 10.687 9.269 -9.438 795 HA ARG 100 HA ARG 100 13.492 8.814 -10.246 796 HB2 ARG 100 HB2 ARG 100 10.942 8.334 -11.769 797 HB3 ARG 100 HB3 ARG 100 12.471 8.571 -12.602 798 HG2 ARG 100 HG2 ARG 100 12.306 6.511 -10.452 799 HG3 ARG 100 HG3 ARG 100 11.594 6.163 -12.027 800 HD2 ARG 100 HD2 ARG 100 13.755 5.317 -12.214 801 HD3 ARG 100 HD3 ARG 100 13.874 6.897 -12.983 802 HE ARG 100 HE ARG 100 14.539 6.982 -10.202 803 HH11 ARG 100 HH11 ARG 100 17.487 6.522 -12.893 804 HH12 ARG 100 HH12 ARG 100 15.849 6.229 -13.373 805 HH21 ARG 100 HH21 ARG 100 16.695 7.345 -9.593 806 HH22 ARG 100 HH22 ARG 100 17.964 7.154 -10.755 807 H ALA 101 H ALA 101 14.541 10.467 -11.198 808 HA ALA 101 HA ALA 101 13.213 13.015 -11.362 809 HB1 ALA 101 HB1 ALA 101 15.183 13.909 -10.795 810 HB2 ALA 101 HB2 ALA 101 16.033 13.010 -12.049 811 HB3 ALA 101 HB3 ALA 101 15.709 12.253 -10.488 812 H GLN 102 H GLN 102 14.057 14.505 -13.198 813 HA GLN 102 HA GLN 102 13.734 13.074 -15.755 814 HB2 GLN 102 HB2 GLN 102 12.870 15.795 -14.833 815 HB3 GLN 102 HB3 GLN 102 13.093 15.474 -16.546 816 HG2 GLN 102 HG2 GLN 102 11.466 13.644 -16.400 817 HG3 GLN 102 HG3 GLN 102 11.223 14.014 -14.694 818 HE21 GLN 102 HE21 GLN 102 10.687 15.059 -17.963 819 HE22 GLN 102 HE22 GLN 102 9.507 16.268 -17.601 820 HA PRO 103 HA PRO 103 17.842 14.463 -16.871 821 HB2 PRO 103 HB2 PRO 103 17.782 14.115 -19.549 822 HB3 PRO 103 HB3 PRO 103 17.812 12.750 -18.425 823 HG2 PRO 103 HG2 PRO 103 15.493 13.919 -19.894 824 HG3 PRO 103 HG3 PRO 103 15.899 12.215 -19.608 825 HD2 PRO 103 HD2 PRO 103 14.041 13.573 -18.144 826 HD3 PRO 103 HD3 PRO 103 14.983 12.210 -17.511 827 H LYS 104 H LYS 104 18.953 15.965 -18.531 828 HA LYS 104 HA LYS 104 17.571 18.531 -18.483 829 HB2 LYS 104 HB2 LYS 104 20.412 17.750 -19.141 830 HB3 LYS 104 HB3 LYS 104 19.807 19.389 -19.319 831 HG2 LYS 104 HG2 LYS 104 19.416 19.578 -16.972 832 HG3 LYS 104 HG3 LYS 104 19.766 17.865 -16.725 833 HD2 LYS 104 HD2 LYS 104 22.071 18.227 -17.446 834 HD3 LYS 104 HD3 LYS 104 21.724 19.934 -17.721 835 HE2 LYS 104 HE2 LYS 104 21.308 20.279 -15.378 836 HE3 LYS 104 HE3 LYS 104 21.462 18.552 -15.057 837 HZ1 LYS 104 HZ1 LYS 104 23.644 20.275 -16.099 838 HZ2 LYS 104 HZ2 LYS 104 23.771 18.646 -15.662 839 HZ3 LYS 104 HZ3 LYS 104 23.469 19.817 -14.480 840 H MET 105 H MET 105 16.628 19.447 -20.182 841 HA MET 105 HA MET 105 17.024 18.252 -22.835 842 HB2 MET 105 HB2 MET 105 14.878 19.474 -23.422 843 HB3 MET 105 HB3 MET 105 14.730 18.153 -22.279 844 HG2 MET 105 HG2 MET 105 14.690 19.823 -20.437 845 HG3 MET 105 HG3 MET 105 14.691 21.100 -21.652 846 HE1 MET 105 HE1 MET 105 12.554 20.737 -19.320 847 HE2 MET 105 HE2 MET 105 11.020 21.022 -20.143 848 HE3 MET 105 HE3 MET 105 12.404 22.064 -20.473 849 H VAL 106 H VAL 106 18.311 19.257 -24.185 850 HA VAL 106 HA VAL 106 18.703 22.155 -23.910 851 HB VAL 106 HB VAL 106 20.508 20.205 -25.375 852 HG11 VAL 106 HG11 VAL 106 22.169 22.020 -25.270 853 HG12 VAL 106 HG12 VAL 106 20.953 23.074 -24.547 854 HG13 VAL 106 HG13 VAL 106 20.736 22.476 -26.193 855 HG21 VAL 106 HG21 VAL 106 22.046 20.413 -23.468 856 HG22 VAL 106 HG22 VAL 106 20.514 19.675 -23.000 857 HG23 VAL 106 HG23 VAL 106 20.835 21.363 -22.605 858 H THR 107 H THR 107 18.585 19.675 -26.478 859 HA THR 107 HA THR 107 17.614 21.631 -28.352 860 HB THR 107 HB THR 107 18.223 18.765 -29.033 861 HG1 THR 107 HG1 THR 107 20.012 20.828 -28.404 862 HG21 THR 107 HG21 THR 107 18.856 19.764 -31.220 863 HG22 THR 107 HG22 THR 107 18.360 21.343 -30.611 864 HG23 THR 107 HG23 THR 107 17.170 20.056 -30.797 865 H ARG 108 H ARG 108 15.508 21.942 -27.855 866 HA ARG 108 HA ARG 108 13.703 19.710 -27.419 867 HB2 ARG 108 HB2 ARG 108 13.357 22.701 -27.342 868 HB3 ARG 108 HB3 ARG 108 11.987 21.605 -27.232 869 HG2 ARG 108 HG2 ARG 108 12.922 20.603 -25.223 870 HG3 ARG 108 HG3 ARG 108 14.334 21.653 -25.344 871 HD2 ARG 108 HD2 ARG 108 12.923 22.656 -23.742 872 HD3 ARG 108 HD3 ARG 108 12.729 23.606 -25.214 873 HE ARG 108 HE ARG 108 10.665 22.081 -25.526 874 HH11 ARG 108 HH11 ARG 108 11.814 23.280 -22.433 875 HH12 ARG 108 HH12 ARG 108 10.241 23.253 -21.708 876 HH21 ARG 108 HH21 ARG 108 8.432 22.560 -22.911 877 HH22 ARG 108 HH22 ARG 108 8.615 22.056 -24.558 878 H THR 109 H THR 109 12.205 18.946 -28.788 879 HA THR 109 HA THR 109 12.113 20.101 -31.498 880 HB THR 109 HB THR 109 11.260 17.778 -32.160 881 HG1 THR 109 HG1 THR 109 11.680 17.419 -29.492 882 HG21 THR 109 HG21 THR 109 13.485 18.548 -32.762 883 HG22 THR 109 HG22 THR 109 13.542 16.847 -32.296 884 HG23 THR 109 HG23 THR 109 14.098 18.088 -31.173 885 H LYS 110 H LYS 110 10.132 18.494 -29.023 886 HA LYS 110 HA LYS 110 7.679 19.165 -30.335 887 HB2 LYS 110 HB2 LYS 110 8.391 17.669 -27.843 888 HB3 LYS 110 HB3 LYS 110 6.729 18.169 -28.127 889 HG2 LYS 110 HG2 LYS 110 6.653 16.889 -30.175 890 HG3 LYS 110 HG3 LYS 110 8.357 16.461 -30.001 891 HD2 LYS 110 HD2 LYS 110 7.901 15.176 -28.032 892 HD3 LYS 110 HD3 LYS 110 6.234 15.754 -27.981 893 HE2 LYS 110 HE2 LYS 110 5.696 14.566 -29.991 894 HE3 LYS 110 HE3 LYS 110 7.385 14.130 -30.242 895 HZ1 LYS 110 HZ1 LYS 110 7.327 12.735 -28.322 896 HZ2 LYS 110 HZ2 LYS 110 6.010 12.322 -29.302 897 HZ3 LYS 110 HZ3 LYS 110 5.770 13.254 -27.910 898 H LYS 111 H LYS 111 6.157 20.661 -29.663 899 HA LYS 111 HA LYS 111 6.656 22.250 -27.321 900 HB2 LYS 111 HB2 LYS 111 6.332 24.401 -28.581 901 HB3 LYS 111 HB3 LYS 111 7.850 23.583 -28.900 902 HG2 LYS 111 HG2 LYS 111 6.970 22.753 -31.022 903 HG3 LYS 111 HG3 LYS 111 5.425 23.539 -30.693 904 HD2 LYS 111 HD2 LYS 111 6.591 25.720 -30.631 905 HD3 LYS 111 HD3 LYS 111 8.094 24.899 -31.060 906 HE2 LYS 111 HE2 LYS 111 7.031 24.110 -33.141 907 HE3 LYS 111 HE3 LYS 111 5.574 25.008 -32.714 908 HZ1 LYS 111 HZ1 LYS 111 6.867 27.053 -32.774 909 HZ2 LYS 111 HZ2 LYS 111 6.944 26.248 -34.261 910 HZ3 LYS 111 HZ3 LYS 111 8.258 26.186 -33.198 Start of MODEL 3 1 H1 MET -3 H1 MET -3 11.090 34.751 28.301 2 H2 MET -3 H2 MET -3 11.418 35.847 27.055 3 H3 MET -3 H3 MET -3 11.011 34.248 26.687 4 HA MET -3 HA MET -3 9.151 35.713 26.278 5 HB2 MET -3 HB2 MET -3 9.081 33.308 27.491 6 HB3 MET -3 HB3 MET -3 8.295 34.273 28.731 7 HG2 MET -3 HG2 MET -3 6.612 34.996 27.149 8 HG3 MET -3 HG3 MET -3 7.428 34.127 25.851 9 HE1 MET -3 HE1 MET -3 6.667 30.441 26.499 10 HE2 MET -3 HE2 MET -3 8.134 31.421 26.488 11 HE3 MET -3 HE3 MET -3 6.909 31.652 25.240 12 H HIS -2 H HIS -2 7.903 37.423 26.862 13 HA HIS -2 HA HIS -2 8.608 38.767 29.384 14 HB2 HIS -2 HB2 HIS -2 7.727 39.818 26.708 15 HB3 HIS -2 HB3 HIS -2 7.616 40.806 28.161 16 HD1 HIS -2 HD1 HIS -2 10.008 39.538 25.649 17 HD2 HIS -2 HD2 HIS -2 10.132 41.511 29.303 18 HE1 HIS -2 HE1 HIS -2 12.346 40.441 25.845 19 HE2 HIS -2 HE2 HIS -2 12.400 41.631 28.066 20 H HIS -1 H HIS -1 7.124 39.295 30.845 21 HA HIS -1 HA HIS -1 5.208 39.361 32.040 22 HB2 HIS -1 HB2 HIS -1 4.118 40.041 29.319 23 HB3 HIS -1 HB3 HIS -1 3.085 39.979 30.743 24 HD1 HIS -1 HD1 HIS -1 5.905 41.943 29.228 25 HD2 HIS -1 HD2 HIS -1 3.337 42.126 32.489 26 HE1 HIS -1 HE1 HIS -1 6.217 44.242 30.202 27 HE2 HIS -1 HE2 HIS -1 4.652 44.331 32.175 28 H HIS 0 H HIS 0 4.009 37.906 33.006 29 HA HIS 0 HA HIS 0 3.131 35.546 31.476 30 HB2 HIS 0 HB2 HIS 0 4.300 35.827 34.214 31 HB3 HIS 0 HB3 HIS 0 3.158 34.521 33.910 32 HD1 HIS 0 HD1 HIS 0 6.629 35.637 33.165 33 HD2 HIS 0 HD2 HIS 0 4.082 32.511 32.161 34 HE1 HIS 0 HE1 HIS 0 8.091 33.897 32.088 35 HE2 HIS 0 HE2 HIS 0 6.529 32.013 31.489 36 H HIS 1 H HIS 1 1.115 34.637 31.953 37 HA HIS 1 HA HIS 1 -0.747 36.445 33.353 38 HB2 HIS 1 HB2 HIS 1 -0.846 35.851 30.730 39 HB3 HIS 1 HB3 HIS 1 -1.795 34.509 31.360 40 HD1 HIS 1 HD1 HIS 1 -4.069 35.095 32.486 41 HD2 HIS 1 HD2 HIS 1 -2.072 38.346 30.839 42 HE1 HIS 1 HE1 HIS 1 -5.763 36.952 32.401 43 HE2 HIS 1 HE2 HIS 1 -4.532 38.911 31.402 44 H HIS 2 H HIS 2 -2.451 35.515 34.560 45 HA HIS 2 HA HIS 2 -1.812 32.866 35.638 46 HB2 HIS 2 HB2 HIS 2 -3.418 35.187 36.694 47 HB3 HIS 2 HB3 HIS 2 -3.507 33.591 37.429 48 HD1 HIS 2 HD1 HIS 2 -0.959 36.301 36.698 49 HD2 HIS 2 HD2 HIS 2 -1.530 33.056 39.229 50 HE1 HIS 2 HE1 HIS 2 0.939 36.392 38.346 51 HE2 HIS 2 HE2 HIS 2 0.573 34.420 39.870 52 H HIS 3 H HIS 3 -3.108 31.154 35.409 53 HA HIS 3 HA HIS 3 -5.758 31.549 34.181 54 HB2 HIS 3 HB2 HIS 3 -3.655 29.476 33.576 55 HB3 HIS 3 HB3 HIS 3 -5.344 29.245 33.139 56 HD1 HIS 3 HD1 HIS 3 -6.263 30.634 31.182 57 HD2 HIS 3 HD2 HIS 3 -2.271 31.395 32.053 58 HE1 HIS 3 HE1 HIS 3 -5.391 31.962 29.232 59 HE2 HIS 3 HE2 HIS 3 -2.973 32.411 29.780 60 H SER 4 H SER 4 -7.431 30.273 34.886 61 HA SER 4 HA SER 4 -6.930 28.742 37.353 62 HB2 SER 4 HB2 SER 4 -9.366 29.150 37.828 63 HB3 SER 4 HB3 SER 4 -8.392 30.618 37.763 64 HG SER 4 HG SER 4 -10.263 30.938 36.575 65 H THR 5 H THR 5 -9.033 28.754 34.466 66 HA THR 5 HA THR 5 -9.286 25.837 34.705 67 HB THR 5 HB THR 5 -11.462 26.831 34.709 68 HG1 THR 5 HG1 THR 5 -10.673 25.464 32.409 69 HG21 THR 5 HG21 THR 5 -10.752 28.274 32.146 70 HG22 THR 5 HG22 THR 5 -10.943 29.023 33.730 71 HG23 THR 5 HG23 THR 5 -12.330 28.279 32.934 72 H SER 6 H SER 6 -7.674 24.905 33.633 73 HA SER 6 HA SER 6 -6.872 25.950 31.010 74 HB2 SER 6 HB2 SER 6 -5.465 23.970 32.814 75 HB3 SER 6 HB3 SER 6 -4.840 24.597 31.288 76 HG SER 6 HG SER 6 -4.062 26.154 32.449 77 H VAL 7 H VAL 7 -6.933 24.765 29.175 78 HA VAL 7 HA VAL 7 -8.448 22.246 29.253 79 HB VAL 7 HB VAL 7 -7.790 23.849 26.767 80 HG11 VAL 7 HG11 VAL 7 -9.754 22.709 25.830 81 HG12 VAL 7 HG12 VAL 7 -9.967 21.837 27.348 82 HG13 VAL 7 HG13 VAL 7 -8.527 21.561 26.367 83 HG21 VAL 7 HG21 VAL 7 -9.987 24.896 26.913 84 HG22 VAL 7 HG22 VAL 7 -9.002 25.317 28.313 85 HG23 VAL 7 HG23 VAL 7 -10.274 24.106 28.464 86 H ASP 8 H ASP 8 -7.534 20.343 28.658 87 HA ASP 8 HA ASP 8 -4.668 20.273 28.247 88 HB2 ASP 8 HB2 ASP 8 -6.747 18.143 28.702 89 HB3 ASP 8 HB3 ASP 8 -5.081 17.745 28.297 90 H LEU 9 H LEU 9 -3.702 20.225 26.362 91 HA LEU 9 HA LEU 9 -5.199 19.585 23.929 92 HB2 LEU 9 HB2 LEU 9 -3.439 21.590 24.491 93 HB3 LEU 9 HB3 LEU 9 -2.379 20.424 23.726 94 HG LEU 9 HG LEU 9 -4.169 20.405 21.829 95 HD11 LEU 9 HD11 LEU 9 -4.738 23.095 23.071 96 HD12 LEU 9 HD12 LEU 9 -5.837 21.717 23.098 97 HD13 LEU 9 HD13 LEU 9 -5.400 22.466 21.563 98 HD21 LEU 9 HD21 LEU 9 -1.822 21.330 21.757 99 HD22 LEU 9 HD22 LEU 9 -2.519 22.901 22.152 100 HD23 LEU 9 HD23 LEU 9 -2.976 22.083 20.658 101 H GLY 10 H GLY 10 -4.321 18.124 22.327 102 HA2 GLY 10 HA2 GLY 10 -2.250 16.272 23.263 103 HA3 GLY 10 HA3 GLY 10 -3.834 15.609 22.896 104 H THR 11 H THR 11 -1.171 17.482 21.498 105 HA THR 11 HA THR 11 -1.586 16.061 18.968 106 HB THR 11 HB THR 11 -2.641 18.168 18.533 107 HG1 THR 11 HG1 THR 11 -0.408 18.928 17.223 108 HG21 THR 11 HG21 THR 11 -0.126 19.492 19.562 109 HG22 THR 11 HG22 THR 11 -1.740 19.585 20.264 110 HG23 THR 11 HG23 THR 11 -1.416 20.332 18.700 111 H GLU 12 H GLU 12 0.502 17.059 21.398 112 HA GLU 12 HA GLU 12 2.891 16.910 19.763 113 HB2 GLU 12 HB2 GLU 12 4.102 17.627 21.790 114 HB3 GLU 12 HB3 GLU 12 2.822 18.735 21.332 115 HG2 GLU 12 HG2 GLU 12 1.398 17.868 23.085 116 HG3 GLU 12 HG3 GLU 12 2.625 16.682 23.521 117 H ASN 13 H ASN 13 1.524 15.330 22.566 118 HA ASN 13 HA ASN 13 3.458 13.209 22.609 119 HB2 ASN 13 HB2 ASN 13 2.123 14.314 24.569 120 HB3 ASN 13 HB3 ASN 13 0.873 13.167 24.129 121 HD21 ASN 13 HD21 ASN 13 2.685 13.658 26.399 122 HD22 ASN 13 HD22 ASN 13 3.376 12.135 26.716 123 H LEU 14 H LEU 14 1.587 13.625 20.233 124 HA LEU 14 HA LEU 14 -0.159 11.348 20.153 125 HB2 LEU 14 HB2 LEU 14 -0.271 13.636 18.870 126 HB3 LEU 14 HB3 LEU 14 0.740 12.807 17.704 127 HG LEU 14 HG LEU 14 -1.150 10.981 17.802 128 HD11 LEU 14 HD11 LEU 14 -2.448 11.934 19.591 129 HD12 LEU 14 HD12 LEU 14 -3.378 12.018 18.094 130 HD13 LEU 14 HD13 LEU 14 -2.589 13.464 18.725 131 HD21 LEU 14 HD21 LEU 14 -1.451 13.615 16.366 132 HD22 LEU 14 HD22 LEU 14 -2.287 12.121 15.945 133 HD23 LEU 14 HD23 LEU 14 -0.531 12.217 15.811 134 H TYR 15 H TYR 15 -0.001 9.545 18.788 135 HA TYR 15 HA TYR 15 2.692 8.491 18.542 136 HB2 TYR 15 HB2 TYR 15 -0.055 7.282 18.211 137 HB3 TYR 15 HB3 TYR 15 1.416 6.394 17.823 138 HD1 TYR 15 HD1 TYR 15 2.913 5.643 19.573 139 HD2 TYR 15 HD2 TYR 15 -0.605 7.839 20.520 140 HE1 TYR 15 HE1 TYR 15 3.164 5.014 21.937 141 HE2 TYR 15 HE2 TYR 15 -0.365 7.215 22.886 142 HH TYR 15 HH TYR 15 0.698 5.464 24.230 143 H PHE 16 H PHE 16 3.802 8.242 16.699 144 HA PHE 16 HA PHE 16 2.517 8.255 14.119 145 HB2 PHE 16 HB2 PHE 16 3.366 10.651 14.989 146 HB3 PHE 16 HB3 PHE 16 4.889 10.045 14.347 147 HD1 PHE 16 HD1 PHE 16 5.196 9.709 11.977 148 HD2 PHE 16 HD2 PHE 16 1.488 11.112 13.528 149 HE1 PHE 16 HE1 PHE 16 4.493 10.351 9.708 150 HE2 PHE 16 HE2 PHE 16 0.780 11.756 11.261 151 HZ PHE 16 HZ PHE 16 2.282 11.375 9.348 152 H GLN 17 H GLN 17 3.388 6.040 15.061 153 HA GLN 17 HA GLN 17 6.207 5.557 14.585 154 HB2 GLN 17 HB2 GLN 17 3.929 3.785 15.459 155 HB3 GLN 17 HB3 GLN 17 5.551 3.174 15.165 156 HG2 GLN 17 HG2 GLN 17 6.442 4.582 16.911 157 HG3 GLN 17 HG3 GLN 17 4.861 5.323 17.158 158 HE21 GLN 17 HE21 GLN 17 3.248 4.161 18.197 159 HE22 GLN 17 HE22 GLN 17 3.582 2.734 19.110 160 H SER 18 H SER 18 7.104 4.736 12.825 161 HA SER 18 HA SER 18 5.382 3.911 10.592 162 HB2 SER 18 HB2 SER 18 8.248 4.883 10.644 163 HB3 SER 18 HB3 SER 18 7.425 4.313 9.193 164 HG SER 18 HG SER 18 7.086 6.450 9.154 165 H ASN 19 H ASN 19 5.667 1.959 9.550 166 HA ASN 19 HA ASN 19 7.405 0.028 10.928 167 HB2 ASN 19 HB2 ASN 19 4.841 -0.385 9.382 168 HB3 ASN 19 HB3 ASN 19 5.880 -1.709 9.863 169 HD21 ASN 19 HD21 ASN 19 4.523 -2.679 11.102 170 HD22 ASN 19 HD22 ASN 19 3.967 -2.044 12.583 171 H ALA 20 H ALA 20 6.107 0.657 7.652 172 HA ALA 20 HA ALA 20 6.879 0.278 5.552 173 HB1 ALA 20 HB1 ALA 20 9.554 1.049 6.700 174 HB2 ALA 20 HB2 ALA 20 8.267 2.192 6.319 175 HB3 ALA 20 HB3 ALA 20 9.004 1.234 5.034 176 H GLY 21 H GLY 21 7.133 -1.480 4.441 177 HA2 GLY 21 HA2 GLY 21 9.187 -3.136 4.066 178 HA3 GLY 21 HA3 GLY 21 8.551 -3.750 5.581 179 H LYS 22 H LYS 22 6.024 -2.495 3.804 180 HA LYS 22 HA LYS 22 5.163 -5.167 3.035 181 HB2 LYS 22 HB2 LYS 22 2.937 -4.231 2.801 182 HB3 LYS 22 HB3 LYS 22 3.628 -3.776 4.345 183 HG2 LYS 22 HG2 LYS 22 4.308 -1.608 2.990 184 HG3 LYS 22 HG3 LYS 22 2.921 -2.097 2.012 185 HD2 LYS 22 HD2 LYS 22 1.555 -2.190 4.075 186 HD3 LYS 22 HD3 LYS 22 2.943 -1.590 4.986 187 HE2 LYS 22 HE2 LYS 22 2.941 0.458 3.675 188 HE3 LYS 22 HE3 LYS 22 1.595 -0.144 2.707 189 HZ1 LYS 22 HZ1 LYS 22 0.201 -0.133 4.652 190 HZ2 LYS 22 HZ2 LYS 22 0.889 1.400 4.456 191 HZ3 LYS 22 HZ3 LYS 22 1.492 0.348 5.634 192 H MET 23 H MET 23 3.742 -5.183 0.925 193 HA MET 23 HA MET 23 5.208 -3.888 -1.196 194 HB2 MET 23 HB2 MET 23 4.487 -6.725 -0.752 195 HB3 MET 23 HB3 MET 23 4.364 -6.117 -2.386 196 HG2 MET 23 HG2 MET 23 6.734 -5.299 -2.150 197 HG3 MET 23 HG3 MET 23 6.801 -6.197 -0.637 198 HE1 MET 23 HE1 MET 23 8.194 -6.577 -4.127 199 HE2 MET 23 HE2 MET 23 6.494 -6.158 -4.357 200 HE3 MET 23 HE3 MET 23 7.092 -7.728 -4.886 201 H PHE 24 H PHE 24 4.093 -3.513 -3.027 202 HA PHE 24 HA PHE 24 1.237 -2.922 -2.781 203 HB2 PHE 24 HB2 PHE 24 2.971 -1.062 -3.148 204 HB3 PHE 24 HB3 PHE 24 3.254 -1.751 -4.732 205 HD1 PHE 24 HD1 PHE 24 2.581 1.044 -4.370 206 HD2 PHE 24 HD2 PHE 24 -0.015 -2.302 -4.815 207 HE1 PHE 24 HE1 PHE 24 0.840 2.516 -5.287 208 HE2 PHE 24 HE2 PHE 24 -1.745 -0.827 -5.731 209 HZ PHE 24 HZ PHE 24 -1.330 1.579 -5.969 210 H ILE 25 H ILE 25 0.160 -4.597 -3.715 211 HA ILE 25 HA ILE 25 1.209 -5.987 -6.019 212 HB ILE 25 HB ILE 25 -1.331 -6.744 -4.822 213 HG12 ILE 25 HG12 ILE 25 -0.002 -6.166 -2.820 214 HG13 ILE 25 HG13 ILE 25 -0.406 -7.860 -2.891 215 HG21 ILE 25 HG21 ILE 25 -0.637 -8.145 -6.542 216 HG22 ILE 25 HG22 ILE 25 -0.257 -9.051 -5.079 217 HG23 ILE 25 HG23 ILE 25 1.021 -8.209 -5.946 218 HD11 ILE 25 HD11 ILE 25 1.828 -8.468 -3.402 219 HD12 ILE 25 HD12 ILE 25 1.913 -7.292 -2.089 220 HD13 ILE 25 HD13 ILE 25 2.272 -6.795 -3.743 221 H GLY 26 H GLY 26 0.643 -5.290 -7.926 222 HA2 GLY 26 HA2 GLY 26 -1.873 -3.913 -8.287 223 HA3 GLY 26 HA3 GLY 26 -0.484 -3.658 -9.286 224 H GLY 27 H GLY 27 -3.018 -4.044 -10.246 225 HA2 GLY 27 HA2 GLY 27 -3.996 -5.077 -12.044 226 HA3 GLY 27 HA3 GLY 27 -2.558 -6.064 -12.191 227 H LEU 28 H LEU 28 -4.296 -6.174 -9.166 228 HA LEU 28 HA LEU 28 -4.607 -8.917 -9.121 229 HB2 LEU 28 HB2 LEU 28 -6.332 -6.869 -7.702 230 HB3 LEU 28 HB3 LEU 28 -6.158 -8.550 -7.253 231 HG LEU 28 HG LEU 28 -3.831 -6.625 -7.232 232 HD11 LEU 28 HD11 LEU 28 -5.641 -7.359 -4.932 233 HD12 LEU 28 HD12 LEU 28 -5.628 -5.802 -5.761 234 HD13 LEU 28 HD13 LEU 28 -4.209 -6.333 -4.860 235 HD21 LEU 28 HD21 LEU 28 -3.288 -9.026 -7.234 236 HD22 LEU 28 HD22 LEU 28 -4.301 -9.252 -5.809 237 HD23 LEU 28 HD23 LEU 28 -2.848 -8.255 -5.713 238 H SER 29 H SER 29 -6.887 -10.020 -8.882 239 HA SER 29 HA SER 29 -8.413 -9.377 -11.267 240 HB2 SER 29 HB2 SER 29 -7.279 -11.661 -10.916 241 HB3 SER 29 HB3 SER 29 -8.527 -11.960 -9.707 242 HG SER 29 HG SER 29 -9.440 -12.711 -11.507 243 H TRP 30 H TRP 30 -10.703 -10.199 -11.014 244 HA TRP 30 HA TRP 30 -12.091 -8.587 -9.169 245 HB2 TRP 30 HB2 TRP 30 -14.071 -9.446 -10.328 246 HB3 TRP 30 HB3 TRP 30 -12.859 -8.940 -11.477 247 HD1 TRP 30 HD1 TRP 30 -11.121 -11.417 -11.888 248 HE1 TRP 30 HE1 TRP 30 -12.023 -13.622 -12.812 249 HE3 TRP 30 HE3 TRP 30 -16.104 -10.776 -10.876 250 HZ2 TRP 30 HZ2 TRP 30 -14.471 -14.915 -13.123 251 HZ3 TRP 30 HZ3 TRP 30 -17.661 -12.564 -11.537 252 HH2 TRP 30 HH2 TRP 30 -16.864 -14.593 -12.639 253 H GLN 31 H GLN 31 -10.929 -11.756 -9.137 254 HA GLN 31 HA GLN 31 -12.811 -12.745 -7.149 255 HB2 GLN 31 HB2 GLN 31 -10.688 -14.028 -8.835 256 HB3 GLN 31 HB3 GLN 31 -11.547 -14.903 -7.572 257 HG2 GLN 31 HG2 GLN 31 -13.676 -14.372 -8.754 258 HG3 GLN 31 HG3 GLN 31 -12.713 -13.672 -10.058 259 HE21 GLN 31 HE21 GLN 31 -13.519 -16.595 -8.349 260 HE22 GLN 31 HE22 GLN 31 -13.006 -17.697 -9.575 261 H THR 32 H THR 32 -9.558 -11.672 -7.512 262 HA THR 32 HA THR 32 -8.419 -12.882 -5.229 263 HB THR 32 HB THR 32 -7.434 -10.322 -6.302 264 HG1 THR 32 HG1 THR 32 -8.050 -12.378 -7.826 265 HG21 THR 32 HG21 THR 32 -5.234 -11.407 -5.984 266 HG22 THR 32 HG22 THR 32 -6.061 -12.851 -5.401 267 HG23 THR 32 HG23 THR 32 -6.168 -11.346 -4.489 268 H SER 33 H SER 33 -8.989 -12.579 -3.243 269 HA SER 33 HA SER 33 -9.946 -9.981 -2.259 270 HB2 SER 33 HB2 SER 33 -10.217 -12.800 -1.192 271 HB3 SER 33 HB3 SER 33 -10.744 -11.376 -0.302 272 HG SER 33 HG SER 33 -11.712 -11.311 -2.809 273 HA PRO 34 HA PRO 34 -6.294 -9.248 0.210 274 HB2 PRO 34 HB2 PRO 34 -7.305 -8.845 2.765 275 HB3 PRO 34 HB3 PRO 34 -7.189 -7.597 1.515 276 HG2 PRO 34 HG2 PRO 34 -9.541 -9.256 2.302 277 HG3 PRO 34 HG3 PRO 34 -9.472 -7.539 1.854 278 HD2 PRO 34 HD2 PRO 34 -10.357 -9.353 0.123 279 HD3 PRO 34 HD3 PRO 34 -9.351 -8.001 -0.417 280 H ASP 35 H ASP 35 -8.583 -11.585 1.262 281 HA ASP 35 HA ASP 35 -6.835 -13.007 3.045 282 HB2 ASP 35 HB2 ASP 35 -9.572 -13.221 2.138 283 HB3 ASP 35 HB3 ASP 35 -8.820 -14.740 2.521 284 H SER 36 H SER 36 -7.894 -13.144 -0.226 285 HA SER 36 HA SER 36 -6.799 -15.678 -0.947 286 HB2 SER 36 HB2 SER 36 -8.625 -14.473 -2.214 287 HB3 SER 36 HB3 SER 36 -7.399 -13.340 -2.782 288 HG SER 36 HG SER 36 -8.016 -15.757 -3.745 289 H LEU 37 H LEU 37 -5.689 -12.323 -0.977 290 HA LEU 37 HA LEU 37 -3.246 -12.741 -2.312 291 HB2 LEU 37 HB2 LEU 37 -4.875 -10.689 -1.119 292 HB3 LEU 37 HB3 LEU 37 -3.220 -10.476 -0.681 293 HG LEU 37 HG LEU 37 -4.168 -10.735 -3.517 294 HD11 LEU 37 HD11 LEU 37 -3.638 -8.254 -1.897 295 HD12 LEU 37 HD12 LEU 37 -5.192 -8.796 -2.537 296 HD13 LEU 37 HD13 LEU 37 -3.914 -8.290 -3.641 297 HD21 LEU 37 HD21 LEU 37 -2.024 -9.677 -4.066 298 HD22 LEU 37 HD22 LEU 37 -1.810 -11.224 -3.253 299 HD23 LEU 37 HD23 LEU 37 -1.578 -9.722 -2.365 300 H ARG 38 H ARG 38 -4.352 -12.700 1.012 301 HA ARG 38 HA ARG 38 -1.828 -12.826 2.262 302 HB2 ARG 38 HB2 ARG 38 -4.271 -12.169 3.156 303 HB3 ARG 38 HB3 ARG 38 -4.253 -13.855 3.650 304 HG2 ARG 38 HG2 ARG 38 -2.538 -13.536 5.171 305 HG3 ARG 38 HG3 ARG 38 -1.955 -12.083 4.365 306 HD2 ARG 38 HD2 ARG 38 -2.963 -11.300 6.325 307 HD3 ARG 38 HD3 ARG 38 -4.163 -11.010 5.074 308 HE ARG 38 HE ARG 38 -4.839 -13.443 6.060 309 HH11 ARG 38 HH11 ARG 38 -4.345 -10.302 7.549 310 HH12 ARG 38 HH12 ARG 38 -5.471 -10.601 8.830 311 HH21 ARG 38 HH21 ARG 38 -6.580 -12.591 8.943 312 HH22 ARG 38 HH22 ARG 38 -6.307 -13.818 7.751 313 H ASP 39 H ASP 39 -4.310 -15.132 1.271 314 HA ASP 39 HA ASP 39 -3.056 -17.457 2.267 315 HB2 ASP 39 HB2 ASP 39 -5.384 -16.813 0.627 316 HB3 ASP 39 HB3 ASP 39 -4.609 -18.322 0.158 317 H TYR 40 H TYR 40 -2.923 -15.798 -0.880 318 HA TYR 40 HA TYR 40 -1.500 -17.838 -2.246 319 HB2 TYR 40 HB2 TYR 40 -2.955 -15.847 -3.146 320 HB3 TYR 40 HB3 TYR 40 -1.431 -14.969 -3.102 321 HD1 TYR 40 HD1 TYR 40 0.189 -15.270 -4.798 322 HD2 TYR 40 HD2 TYR 40 -3.113 -17.938 -4.540 323 HE1 TYR 40 HE1 TYR 40 0.804 -16.231 -6.976 324 HE2 TYR 40 HE2 TYR 40 -2.512 -18.905 -6.722 325 HH TYR 40 HH TYR 40 0.476 -18.292 -8.241 326 H PHE 41 H PHE 41 -0.542 -14.682 -0.909 327 HA PHE 41 HA PHE 41 2.192 -14.952 -1.507 328 HB2 PHE 41 HB2 PHE 41 0.485 -13.029 -0.115 329 HB3 PHE 41 HB3 PHE 41 2.208 -12.917 0.137 330 HD1 PHE 41 HD1 PHE 41 3.624 -12.021 -1.575 331 HD2 PHE 41 HD2 PHE 41 -0.448 -12.921 -2.428 332 HE1 PHE 41 HE1 PHE 41 3.855 -10.927 -3.755 333 HE2 PHE 41 HE2 PHE 41 -0.215 -11.820 -4.626 334 HZ PHE 41 HZ PHE 41 1.932 -10.824 -5.285 335 H SER 42 H SER 42 0.289 -15.965 1.240 336 HA SER 42 HA SER 42 2.346 -16.097 3.197 337 HB2 SER 42 HB2 SER 42 -0.169 -16.277 3.637 338 HB3 SER 42 HB3 SER 42 -0.035 -17.949 3.100 339 HG SER 42 HG SER 42 0.293 -18.113 5.225 340 H LYS 43 H LYS 43 1.704 -17.697 0.460 341 HA LYS 43 HA LYS 43 2.828 -20.267 1.045 342 HB2 LYS 43 HB2 LYS 43 1.666 -18.922 -1.344 343 HB3 LYS 43 HB3 LYS 43 2.613 -20.368 -1.559 344 HG2 LYS 43 HG2 LYS 43 0.736 -20.826 0.533 345 HG3 LYS 43 HG3 LYS 43 -0.106 -20.160 -0.864 346 HD2 LYS 43 HD2 LYS 43 0.872 -21.895 -2.285 347 HD3 LYS 43 HD3 LYS 43 1.737 -22.552 -0.895 348 HE2 LYS 43 HE2 LYS 43 -0.157 -23.920 -1.145 349 HE3 LYS 43 HE3 LYS 43 -0.541 -22.840 0.194 350 HZ1 LYS 43 HZ1 LYS 43 -2.393 -23.079 -1.357 351 HZ2 LYS 43 HZ2 LYS 43 -1.440 -22.468 -2.614 352 HZ3 LYS 43 HZ3 LYS 43 -1.843 -21.480 -1.302 353 H PHE 44 H PHE 44 4.046 -17.232 0.254 354 HA PHE 44 HA PHE 44 6.564 -18.277 -0.854 355 HB2 PHE 44 HB2 PHE 44 5.045 -16.218 -1.760 356 HB3 PHE 44 HB3 PHE 44 6.181 -15.395 -0.707 357 HD1 PHE 44 HD1 PHE 44 5.808 -17.345 -3.759 358 HD2 PHE 44 HD2 PHE 44 8.544 -15.307 -1.211 359 HE1 PHE 44 HE1 PHE 44 7.530 -17.472 -5.510 360 HE2 PHE 44 HE2 PHE 44 10.260 -15.431 -2.972 361 HZ PHE 44 HZ PHE 44 9.762 -16.526 -5.106 362 H GLY 45 H GLY 45 5.137 -16.434 1.728 363 HA2 GLY 45 HA2 GLY 45 7.254 -16.948 3.523 364 HA3 GLY 45 HA3 GLY 45 7.172 -15.258 3.044 365 H GLU 46 H GLU 46 6.647 -14.913 5.309 366 HA GLU 46 HA GLU 46 3.951 -15.587 6.004 367 HB2 GLU 46 HB2 GLU 46 5.865 -16.207 7.572 368 HB3 GLU 46 HB3 GLU 46 5.964 -14.486 7.928 369 HG2 GLU 46 HG2 GLU 46 3.760 -14.441 8.789 370 HG3 GLU 46 HG3 GLU 46 3.416 -16.053 8.182 371 H ILE 47 H ILE 47 2.532 -14.174 6.275 372 HA ILE 47 HA ILE 47 3.113 -11.360 5.765 373 HB ILE 47 HB ILE 47 0.567 -12.813 5.322 374 HG12 ILE 47 HG12 ILE 47 1.815 -11.544 3.075 375 HG13 ILE 47 HG13 ILE 47 2.848 -12.745 3.826 376 HG21 ILE 47 HG21 ILE 47 -0.058 -10.586 5.858 377 HG22 ILE 47 HG22 ILE 47 -0.127 -10.727 4.103 378 HG23 ILE 47 HG23 ILE 47 1.248 -9.934 4.870 379 HD11 ILE 47 HD11 ILE 47 0.550 -14.142 3.642 380 HD12 ILE 47 HD12 ILE 47 1.765 -14.136 2.363 381 HD13 ILE 47 HD13 ILE 47 0.365 -13.065 2.264 382 H ARG 48 H ARG 48 2.511 -9.787 7.051 383 HA ARG 48 HA ARG 48 1.632 -10.390 9.736 384 HB2 ARG 48 HB2 ARG 48 3.426 -8.679 8.731 385 HB3 ARG 48 HB3 ARG 48 2.033 -7.625 8.721 386 HG2 ARG 48 HG2 ARG 48 1.775 -7.749 11.045 387 HG3 ARG 48 HG3 ARG 48 2.880 -9.116 11.179 388 HD2 ARG 48 HD2 ARG 48 4.618 -7.446 10.172 389 HD3 ARG 48 HD3 ARG 48 3.486 -6.219 10.739 390 HE ARG 48 HE ARG 48 4.717 -8.234 12.510 391 HH11 ARG 48 HH11 ARG 48 4.131 -4.388 13.506 392 HH12 ARG 48 HH12 ARG 48 3.660 -4.930 11.931 393 HH21 ARG 48 HH21 ARG 48 5.069 -5.841 14.991 394 HH22 ARG 48 HH22 ARG 48 5.319 -7.500 14.558 395 H GLU 49 H GLU 49 0.557 -8.649 6.879 396 HA GLU 49 HA GLU 49 -2.210 -8.891 7.461 397 HB2 GLU 49 HB2 GLU 49 -1.291 -6.858 8.877 398 HB3 GLU 49 HB3 GLU 49 -1.336 -6.022 7.335 399 HG2 GLU 49 HG2 GLU 49 -3.733 -6.548 7.148 400 HG3 GLU 49 HG3 GLU 49 -3.667 -7.321 8.731 401 H CYS 50 H CYS 50 -3.477 -8.083 5.712 402 HA CYS 50 HA CYS 50 -2.102 -7.292 3.326 403 HB2 CYS 50 HB2 CYS 50 -2.448 -9.657 3.029 404 HB3 CYS 50 HB3 CYS 50 -4.137 -9.509 3.501 405 HG CYS 50 HG CYS 50 -2.730 -8.328 0.613 406 H MET 51 H MET 51 -3.347 -6.173 1.874 407 HA MET 51 HA MET 51 -5.917 -5.156 2.689 408 HB2 MET 51 HB2 MET 51 -4.285 -3.685 3.747 409 HB3 MET 51 HB3 MET 51 -3.606 -3.362 2.178 410 HG2 MET 51 HG2 MET 51 -5.577 -2.215 1.471 411 HG3 MET 51 HG3 MET 51 -6.426 -2.689 2.942 412 HE1 MET 51 HE1 MET 51 -4.138 -0.110 1.225 413 HE2 MET 51 HE2 MET 51 -2.900 -1.063 2.045 414 HE3 MET 51 HE3 MET 51 -3.218 0.596 2.554 415 H VAL 52 H VAL 52 -7.202 -4.813 1.117 416 HA VAL 52 HA VAL 52 -6.268 -4.355 -1.610 417 HB VAL 52 HB VAL 52 -8.573 -6.066 -0.844 418 HG11 VAL 52 HG11 VAL 52 -8.685 -6.648 -3.263 419 HG12 VAL 52 HG12 VAL 52 -7.516 -5.358 -3.564 420 HG13 VAL 52 HG13 VAL 52 -9.108 -4.970 -2.913 421 HG21 VAL 52 HG21 VAL 52 -6.051 -6.886 -2.208 422 HG22 VAL 52 HG22 VAL 52 -7.328 -7.945 -1.603 423 HG23 VAL 52 HG23 VAL 52 -6.318 -7.037 -0.474 424 H MET 53 H MET 53 -7.032 -2.627 -2.447 425 HA MET 53 HA MET 53 -8.697 -0.816 -1.036 426 HB2 MET 53 HB2 MET 53 -7.046 -0.761 -3.443 427 HB3 MET 53 HB3 MET 53 -8.487 0.237 -3.574 428 HG2 MET 53 HG2 MET 53 -6.403 0.401 -1.408 429 HG3 MET 53 HG3 MET 53 -6.603 1.521 -2.753 430 HE1 MET 53 HE1 MET 53 -7.698 3.482 0.527 431 HE2 MET 53 HE2 MET 53 -6.424 3.272 -0.675 432 HE3 MET 53 HE3 MET 53 -6.631 2.081 0.610 433 H ARG 54 H ARG 54 -10.762 -0.990 -0.845 434 HA ARG 54 HA ARG 54 -12.449 -1.438 -3.204 435 HB2 ARG 54 HB2 ARG 54 -12.523 -2.930 -0.597 436 HB3 ARG 54 HB3 ARG 54 -13.990 -2.725 -1.542 437 HG2 ARG 54 HG2 ARG 54 -12.893 -3.833 -3.443 438 HG3 ARG 54 HG3 ARG 54 -11.456 -4.079 -2.447 439 HD2 ARG 54 HD2 ARG 54 -12.770 -5.409 -0.875 440 HD3 ARG 54 HD3 ARG 54 -14.213 -5.148 -1.850 441 HE ARG 54 HE ARG 54 -12.138 -6.320 -3.393 442 HH11 ARG 54 HH11 ARG 54 -14.662 -8.785 -1.469 443 HH12 ARG 54 HH12 ARG 54 -14.556 -7.127 -0.978 444 HH21 ARG 54 HH21 ARG 54 -12.289 -8.497 -4.018 445 HH22 ARG 54 HH22 ARG 54 -13.379 -9.558 -3.188 446 H ASP 55 H ASP 55 -14.593 -0.501 -2.994 447 HA ASP 55 HA ASP 55 -14.667 1.719 -1.172 448 HB2 ASP 55 HB2 ASP 55 -15.697 1.208 -3.845 449 HB3 ASP 55 HB3 ASP 55 -16.666 2.237 -2.834 450 HA PRO 56 HA PRO 56 -17.742 -0.750 1.132 451 HB2 PRO 56 HB2 PRO 56 -18.065 1.796 2.615 452 HB3 PRO 56 HB3 PRO 56 -17.734 0.170 3.228 453 HG2 PRO 56 HG2 PRO 56 -15.824 2.015 3.197 454 HG3 PRO 56 HG3 PRO 56 -15.467 0.316 2.826 455 HD2 PRO 56 HD2 PRO 56 -15.741 2.634 0.961 456 HD3 PRO 56 HD3 PRO 56 -14.611 1.263 0.910 457 H THR 57 H THR 57 -18.258 2.047 -0.766 458 HA THR 57 HA THR 57 -21.029 2.402 -0.133 459 HB THR 57 HB THR 57 -20.992 3.941 -2.165 460 HG1 THR 57 HG1 THR 57 -18.388 2.959 -2.161 461 HG21 THR 57 HG21 THR 57 -19.728 5.698 -0.949 462 HG22 THR 57 HG22 THR 57 -19.150 4.463 0.170 463 HG23 THR 57 HG23 THR 57 -20.872 4.832 0.076 464 H THR 58 H THR 58 -19.206 1.086 -2.868 465 HA THR 58 HA THR 58 -21.669 -0.221 -3.822 466 HB THR 58 HB THR 58 -20.791 -0.054 -6.124 467 HG1 THR 58 HG1 THR 58 -18.514 0.274 -5.187 468 HG21 THR 58 HG21 THR 58 -21.023 2.436 -6.359 469 HG22 THR 58 HG22 THR 58 -21.043 2.530 -4.594 470 HG23 THR 58 HG23 THR 58 -22.321 1.661 -5.448 471 H LYS 59 H LYS 59 -18.601 -0.707 -2.592 472 HA LYS 59 HA LYS 59 -17.160 -2.407 -2.367 473 HB2 LYS 59 HB2 LYS 59 -19.754 -3.878 -2.677 474 HB3 LYS 59 HB3 LYS 59 -18.240 -4.755 -2.439 475 HG2 LYS 59 HG2 LYS 59 -18.375 -4.363 -0.257 476 HG3 LYS 59 HG3 LYS 59 -18.275 -2.631 -0.601 477 HD2 LYS 59 HD2 LYS 59 -20.749 -2.636 -0.948 478 HD3 LYS 59 HD3 LYS 59 -20.774 -4.306 -0.378 479 HE2 LYS 59 HE2 LYS 59 -19.903 -3.643 1.763 480 HE3 LYS 59 HE3 LYS 59 -19.670 -1.990 1.200 481 HZ1 LYS 59 HZ1 LYS 59 -22.290 -3.358 1.493 482 HZ2 LYS 59 HZ2 LYS 59 -22.062 -1.768 0.966 483 HZ3 LYS 59 HZ3 LYS 59 -21.659 -2.198 2.552 484 H ARG 60 H ARG 60 -16.709 -1.286 -4.492 485 HA ARG 60 HA ARG 60 -16.393 -3.238 -6.677 486 HB2 ARG 60 HB2 ARG 60 -16.078 -0.232 -6.635 487 HB3 ARG 60 HB3 ARG 60 -15.718 -1.238 -8.028 488 HG2 ARG 60 HG2 ARG 60 -18.037 -1.922 -8.172 489 HG3 ARG 60 HG3 ARG 60 -18.413 -0.998 -6.712 490 HD2 ARG 60 HD2 ARG 60 -17.899 1.065 -7.805 491 HD3 ARG 60 HD3 ARG 60 -17.265 0.222 -9.216 492 HE ARG 60 HE ARG 60 -19.778 -0.642 -9.206 493 HH11 ARG 60 HH11 ARG 60 -19.953 3.363 -9.480 494 HH12 ARG 60 HH12 ARG 60 -18.547 2.621 -8.794 495 HH21 ARG 60 HH21 ARG 60 -21.607 0.351 -10.115 496 HH22 ARG 60 HH22 ARG 60 -21.683 2.078 -10.226 497 H SER 61 H SER 61 -14.436 -3.950 -7.304 498 HA SER 61 HA SER 61 -12.096 -3.150 -5.734 499 HB2 SER 61 HB2 SER 61 -12.507 -5.487 -7.620 500 HB3 SER 61 HB3 SER 61 -11.045 -5.184 -6.682 501 HG SER 61 HG SER 61 -12.142 -6.502 -5.385 502 H ARG 62 H ARG 62 -10.325 -2.161 -6.624 503 HA ARG 62 HA ARG 62 -10.632 -1.176 -9.354 504 HB2 ARG 62 HB2 ARG 62 -9.010 -0.293 -6.997 505 HB3 ARG 62 HB3 ARG 62 -8.587 0.258 -8.613 506 HG2 ARG 62 HG2 ARG 62 -10.433 1.577 -8.805 507 HG3 ARG 62 HG3 ARG 62 -11.427 0.518 -7.806 508 HD2 ARG 62 HD2 ARG 62 -11.169 2.447 -6.519 509 HD3 ARG 62 HD3 ARG 62 -9.989 1.327 -5.844 510 HE ARG 62 HE ARG 62 -8.976 3.118 -7.882 511 HH11 ARG 62 HH11 ARG 62 -8.196 3.739 -3.990 512 HH12 ARG 62 HH12 ARG 62 -9.430 2.609 -4.437 513 HH21 ARG 62 HH21 ARG 62 -7.364 4.594 -7.274 514 HH22 ARG 62 HH22 ARG 62 -7.027 4.861 -5.596 515 H GLY 63 H GLY 63 -9.033 -3.671 -7.809 516 HA2 GLY 63 HA2 GLY 63 -7.773 -5.327 -8.874 517 HA3 GLY 63 HA3 GLY 63 -7.466 -4.215 -10.194 518 H PHE 64 H PHE 64 -6.842 -3.353 -6.835 519 HA PHE 64 HA PHE 64 -4.053 -4.049 -6.986 520 HB2 PHE 64 HB2 PHE 64 -3.083 -1.915 -6.946 521 HB3 PHE 64 HB3 PHE 64 -4.261 -1.866 -8.242 522 HD1 PHE 64 HD1 PHE 64 -5.928 -0.243 -8.270 523 HD2 PHE 64 HD2 PHE 64 -3.688 -0.918 -4.744 524 HE1 PHE 64 HE1 PHE 64 -6.894 1.803 -7.285 525 HE2 PHE 64 HE2 PHE 64 -4.626 1.131 -3.732 526 HZ PHE 64 HZ PHE 64 -6.241 2.492 -5.007 527 H GLY 65 H GLY 65 -2.928 -3.944 -5.009 528 HA2 GLY 65 HA2 GLY 65 -4.190 -3.000 -2.661 529 HA3 GLY 65 HA3 GLY 65 -4.165 -4.751 -2.777 530 H PHE 66 H PHE 66 -2.859 -4.384 -0.828 531 HA PHE 66 HA PHE 66 -0.062 -4.320 -1.373 532 HB2 PHE 66 HB2 PHE 66 -1.561 -3.004 0.829 533 HB3 PHE 66 HB3 PHE 66 0.151 -3.219 0.844 534 HD1 PHE 66 HD1 PHE 66 -2.632 -1.579 -0.885 535 HD2 PHE 66 HD2 PHE 66 1.582 -1.695 -0.307 536 HE1 PHE 66 HE1 PHE 66 -2.414 0.567 -2.078 537 HE2 PHE 66 HE2 PHE 66 1.810 0.448 -1.499 538 HZ PHE 66 HZ PHE 66 -0.190 1.580 -2.388 539 H VAL 67 H VAL 67 1.144 -5.421 0.291 540 HA VAL 67 HA VAL 67 -0.258 -7.184 2.115 541 HB VAL 67 HB VAL 67 1.642 -8.287 0.012 542 HG11 VAL 67 HG11 VAL 67 0.720 -10.474 1.372 543 HG12 VAL 67 HG12 VAL 67 0.941 -9.298 2.671 544 HG13 VAL 67 HG13 VAL 67 2.296 -9.720 1.622 545 HG21 VAL 67 HG21 VAL 67 -0.138 -9.653 -0.764 546 HG22 VAL 67 HG22 VAL 67 -0.780 -8.010 -0.649 547 HG23 VAL 67 HG23 VAL 67 -1.166 -9.199 0.594 548 H THR 68 H THR 68 0.701 -7.326 3.881 549 HA THR 68 HA THR 68 3.292 -6.059 4.173 550 HB THR 68 HB THR 68 1.483 -6.606 6.420 551 HG1 THR 68 HG1 THR 68 0.500 -5.481 4.418 552 HG21 THR 68 HG21 THR 68 2.772 -4.032 6.357 553 HG22 THR 68 HG22 THR 68 3.949 -5.328 6.065 554 HG23 THR 68 HG23 THR 68 2.961 -5.337 7.532 555 H PHE 69 H PHE 69 4.804 -7.459 4.092 556 HA PHE 69 HA PHE 69 4.604 -10.078 5.176 557 HB2 PHE 69 HB2 PHE 69 6.598 -8.563 3.582 558 HB3 PHE 69 HB3 PHE 69 7.098 -10.023 4.414 559 HD1 PHE 69 HD1 PHE 69 6.066 -12.187 3.859 560 HD2 PHE 69 HD2 PHE 69 5.198 -8.647 1.664 561 HE1 PHE 69 HE1 PHE 69 5.122 -13.550 2.049 562 HE2 PHE 69 HE2 PHE 69 4.257 -10.010 -0.159 563 HZ PHE 69 HZ PHE 69 4.232 -12.467 0.046 564 H ALA 70 H ALA 70 5.143 -10.653 7.188 565 HA ALA 70 HA ALA 70 6.218 -8.801 9.007 566 HB1 ALA 70 HB1 ALA 70 5.822 -11.705 9.578 567 HB2 ALA 70 HB2 ALA 70 4.492 -10.548 9.545 568 HB3 ALA 70 HB3 ALA 70 5.792 -10.364 10.723 569 H ASP 71 H ASP 71 7.806 -10.394 6.847 570 HA ASP 71 HA ASP 71 10.247 -10.524 8.388 571 HB2 ASP 71 HB2 ASP 71 9.161 -12.729 7.549 572 HB3 ASP 71 HB3 ASP 71 9.834 -12.261 6.022 573 HA PRO 72 HA PRO 72 11.691 -7.807 5.095 574 HB2 PRO 72 HB2 PRO 72 14.380 -8.286 5.977 575 HB3 PRO 72 HB3 PRO 72 13.444 -6.819 6.053 576 HG2 PRO 72 HG2 PRO 72 14.149 -8.195 8.268 577 HG3 PRO 72 HG3 PRO 72 12.669 -7.221 8.161 578 HD2 PRO 72 HD2 PRO 72 12.998 -10.179 7.935 579 HD3 PRO 72 HD3 PRO 72 11.710 -9.231 8.710 580 H ALA 73 H ALA 73 12.644 -10.996 5.704 581 HA ALA 73 HA ALA 73 14.392 -11.293 3.459 582 HB1 ALA 73 HB1 ALA 73 14.436 -13.672 4.012 583 HB2 ALA 73 HB2 ALA 73 13.155 -13.408 5.194 584 HB3 ALA 73 HB3 ALA 73 14.739 -12.670 5.431 585 H SER 74 H SER 74 11.063 -11.756 4.118 586 HA SER 74 HA SER 74 10.446 -13.341 1.828 587 HB2 SER 74 HB2 SER 74 9.082 -13.084 4.012 588 HB3 SER 74 HB3 SER 74 8.409 -11.653 3.231 589 HG SER 74 HG SER 74 7.585 -12.920 1.625 590 H VAL 75 H VAL 75 10.589 -9.969 2.499 591 HA VAL 75 HA VAL 75 9.329 -9.023 0.149 592 HB VAL 75 HB VAL 75 11.395 -7.489 1.715 593 HG11 VAL 75 HG11 VAL 75 8.923 -6.564 0.242 594 HG12 VAL 75 HG12 VAL 75 10.586 -6.409 -0.324 595 HG13 VAL 75 HG13 VAL 75 10.055 -5.524 1.106 596 HG21 VAL 75 HG21 VAL 75 8.492 -7.840 2.461 597 HG22 VAL 75 HG22 VAL 75 9.583 -6.660 3.184 598 HG23 VAL 75 HG23 VAL 75 9.894 -8.386 3.381 599 H ASP 76 H ASP 76 12.523 -9.933 1.031 600 HA ASP 76 HA ASP 76 13.891 -8.941 -1.232 601 HB2 ASP 76 HB2 ASP 76 14.715 -9.737 1.139 602 HB3 ASP 76 HB3 ASP 76 14.862 -11.280 0.328 603 H LYS 77 H LYS 77 12.560 -11.980 -0.278 604 HA LYS 77 HA LYS 77 13.300 -13.523 -2.492 605 HB2 LYS 77 HB2 LYS 77 11.153 -13.915 -0.429 606 HB3 LYS 77 HB3 LYS 77 11.509 -15.099 -1.670 607 HG2 LYS 77 HG2 LYS 77 13.926 -14.981 -0.747 608 HG3 LYS 77 HG3 LYS 77 13.149 -14.291 0.679 609 HD2 LYS 77 HD2 LYS 77 11.744 -16.242 0.917 610 HD3 LYS 77 HD3 LYS 77 12.363 -16.916 -0.589 611 HE2 LYS 77 HE2 LYS 77 14.135 -16.308 1.762 612 HE3 LYS 77 HE3 LYS 77 13.319 -17.858 1.563 613 HZ1 LYS 77 HZ1 LYS 77 14.465 -18.187 -0.513 614 HZ2 LYS 77 HZ2 LYS 77 15.599 -17.872 0.702 615 HZ3 LYS 77 HZ3 LYS 77 15.193 -16.663 -0.409 616 H VAL 78 H VAL 78 10.420 -11.666 -1.802 617 HA VAL 78 HA VAL 78 9.040 -12.571 -4.154 618 HB VAL 78 HB VAL 78 8.271 -10.478 -2.104 619 HG11 VAL 78 HG11 VAL 78 6.059 -10.419 -3.092 620 HG12 VAL 78 HG12 VAL 78 6.546 -11.578 -4.328 621 HG13 VAL 78 HG13 VAL 78 7.255 -9.964 -4.306 622 HG21 VAL 78 HG21 VAL 78 7.200 -13.254 -2.612 623 HG22 VAL 78 HG22 VAL 78 6.642 -12.136 -1.367 624 HG23 VAL 78 HG23 VAL 78 8.277 -12.794 -1.293 625 H LEU 79 H LEU 79 10.960 -9.768 -3.222 626 HA LEU 79 HA LEU 79 10.233 -8.054 -5.343 627 HB2 LEU 79 HB2 LEU 79 11.662 -7.826 -3.069 628 HB3 LEU 79 HB3 LEU 79 12.959 -7.941 -4.223 629 HG LEU 79 HG LEU 79 10.781 -5.856 -4.174 630 HD11 LEU 79 HD11 LEU 79 12.494 -4.305 -3.541 631 HD12 LEU 79 HD12 LEU 79 13.732 -5.554 -3.681 632 HD13 LEU 79 HD13 LEU 79 12.508 -5.665 -2.416 633 HD21 LEU 79 HD21 LEU 79 12.252 -4.724 -5.911 634 HD22 LEU 79 HD22 LEU 79 11.283 -6.097 -6.449 635 HD23 LEU 79 HD23 LEU 79 13.010 -6.302 -6.137 636 H GLY 80 H GLY 80 12.573 -10.651 -5.000 637 HA2 GLY 80 HA2 GLY 80 13.999 -10.135 -7.387 638 HA3 GLY 80 HA3 GLY 80 14.087 -11.599 -6.439 639 H GLN 81 H GLN 81 10.978 -11.589 -6.795 640 HA GLN 81 HA GLN 81 10.986 -13.123 -9.253 641 HB2 GLN 81 HB2 GLN 81 9.081 -12.818 -6.947 642 HB3 GLN 81 HB3 GLN 81 8.653 -13.679 -8.403 643 HG2 GLN 81 HG2 GLN 81 11.166 -14.428 -7.040 644 HG3 GLN 81 HG3 GLN 81 9.640 -14.908 -6.304 645 HE21 GLN 81 HE21 GLN 81 11.706 -15.243 -9.090 646 HE22 GLN 81 HE22 GLN 81 10.973 -16.678 -9.712 647 HA PRO 82 HA PRO 82 9.118 -9.308 -11.015 648 HB2 PRO 82 HB2 PRO 82 9.922 -10.262 -13.624 649 HB3 PRO 82 HB3 PRO 82 10.531 -8.867 -12.728 650 HG2 PRO 82 HG2 PRO 82 12.027 -11.088 -13.232 651 HG3 PRO 82 HG3 PRO 82 12.284 -10.020 -11.840 652 HD2 PRO 82 HD2 PRO 82 10.890 -12.663 -11.957 653 HD3 PRO 82 HD3 PRO 82 11.979 -12.006 -10.716 654 H HIS 83 H HIS 83 8.784 -12.605 -12.302 655 HA HIS 83 HA HIS 83 6.280 -11.931 -13.627 656 HB2 HIS 83 HB2 HIS 83 8.184 -13.502 -14.499 657 HB3 HIS 83 HB3 HIS 83 7.414 -14.701 -13.469 658 HD1 HIS 83 HD1 HIS 83 6.832 -12.645 -16.554 659 HD2 HIS 83 HD2 HIS 83 4.990 -15.707 -14.432 660 HE1 HIS 83 HE1 HIS 83 4.977 -13.467 -18.036 661 HE2 HIS 83 HE2 HIS 83 3.875 -15.322 -16.734 662 H HIS 84 H HIS 84 4.388 -12.115 -12.670 663 HA HIS 84 HA HIS 84 3.906 -14.158 -10.642 664 HB2 HIS 84 HB2 HIS 84 4.311 -11.510 -9.976 665 HB3 HIS 84 HB3 HIS 84 2.557 -11.630 -10.059 666 HD1 HIS 84 HD1 HIS 84 1.380 -12.986 -8.238 667 HD2 HIS 84 HD2 HIS 84 5.525 -13.065 -7.945 668 HE1 HIS 84 HE1 HIS 84 1.877 -14.022 -6.000 669 HE2 HIS 84 HE2 HIS 84 4.391 -14.061 -5.845 670 H GLU 85 H GLU 85 2.138 -15.240 -11.215 671 HA GLU 85 HA GLU 85 0.221 -13.987 -12.945 672 HB2 GLU 85 HB2 GLU 85 1.709 -16.102 -13.629 673 HB3 GLU 85 HB3 GLU 85 0.388 -16.945 -12.832 674 HG2 GLU 85 HG2 GLU 85 -1.210 -15.899 -14.341 675 HG3 GLU 85 HG3 GLU 85 0.100 -15.017 -15.127 676 H LEU 86 H LEU 86 -1.758 -13.969 -12.422 677 HA LEU 86 HA LEU 86 -2.932 -15.598 -10.360 678 HB2 LEU 86 HB2 LEU 86 -2.341 -13.656 -9.110 679 HB3 LEU 86 HB3 LEU 86 -2.780 -12.601 -10.426 680 HG LEU 86 HG LEU 86 -5.167 -13.474 -10.043 681 HD11 LEU 86 HD11 LEU 86 -3.893 -14.111 -7.387 682 HD12 LEU 86 HD12 LEU 86 -4.726 -15.228 -8.467 683 HD13 LEU 86 HD13 LEU 86 -5.631 -13.955 -7.646 684 HD21 LEU 86 HD21 LEU 86 -5.499 -11.715 -8.280 685 HD22 LEU 86 HD22 LEU 86 -4.647 -11.192 -9.729 686 HD23 LEU 86 HD23 LEU 86 -3.747 -11.528 -8.249 687 H ASP 87 H ASP 87 -4.895 -16.143 -10.937 688 HA ASP 87 HA ASP 87 -6.664 -16.684 -12.242 689 HB2 ASP 87 HB2 ASP 87 -7.171 -14.492 -11.182 690 HB3 ASP 87 HB3 ASP 87 -6.770 -13.739 -12.699 691 H SER 88 H SER 88 -4.234 -16.783 -13.430 692 HA SER 88 HA SER 88 -3.240 -17.345 -15.398 693 HB2 SER 88 HB2 SER 88 -5.505 -18.259 -16.015 694 HB3 SER 88 HB3 SER 88 -5.842 -16.724 -16.816 695 HG SER 88 HG SER 88 -3.446 -17.896 -17.511 696 H LYS 89 H LYS 89 -3.865 -14.357 -14.486 697 HA LYS 89 HA LYS 89 -2.663 -13.188 -16.871 698 HB2 LYS 89 HB2 LYS 89 -3.695 -10.969 -15.922 699 HB3 LYS 89 HB3 LYS 89 -4.629 -12.023 -16.958 700 HG2 LYS 89 HG2 LYS 89 -5.794 -12.926 -15.013 701 HG3 LYS 89 HG3 LYS 89 -4.808 -11.918 -13.949 702 HD2 LYS 89 HD2 LYS 89 -5.725 -9.909 -14.963 703 HD3 LYS 89 HD3 LYS 89 -6.659 -10.884 -16.097 704 HE2 LYS 89 HE2 LYS 89 -7.885 -11.873 -14.208 705 HE3 LYS 89 HE3 LYS 89 -6.971 -10.853 -13.098 706 HZ1 LYS 89 HZ1 LYS 89 -7.912 -8.903 -14.166 707 HZ2 LYS 89 HZ2 LYS 89 -9.142 -9.912 -13.590 708 HZ3 LYS 89 HZ3 LYS 89 -8.781 -9.878 -15.242 709 H THR 90 H THR 90 -1.278 -11.563 -16.573 710 HA THR 90 HA THR 90 0.544 -11.906 -14.367 711 HB THR 90 HB THR 90 0.897 -9.863 -16.544 712 HG1 THR 90 HG1 THR 90 1.509 -12.635 -16.786 713 HG21 THR 90 HG21 THR 90 2.828 -11.630 -15.025 714 HG22 THR 90 HG22 THR 90 2.601 -9.895 -14.804 715 HG23 THR 90 HG23 THR 90 3.280 -10.511 -16.310 716 H ILE 91 H ILE 91 0.602 -10.719 -12.580 717 HA ILE 91 HA ILE 91 -0.675 -8.069 -12.570 718 HB ILE 91 HB ILE 91 -1.101 -8.376 -10.175 719 HG12 ILE 91 HG12 ILE 91 -0.395 -11.248 -10.435 720 HG13 ILE 91 HG13 ILE 91 0.782 -10.099 -9.832 721 HG21 ILE 91 HG21 ILE 91 -2.777 -8.960 -11.848 722 HG22 ILE 91 HG22 ILE 91 -2.908 -9.979 -10.418 723 HG23 ILE 91 HG23 ILE 91 -2.155 -10.611 -11.884 724 HD11 ILE 91 HD11 ILE 91 -0.357 -9.785 -7.872 725 HD12 ILE 91 HD12 ILE 91 -0.775 -11.464 -8.202 726 HD13 ILE 91 HD13 ILE 91 -1.929 -10.171 -8.589 727 H ASP 92 H ASP 92 0.343 -6.546 -10.736 728 HA ASP 92 HA ASP 92 3.246 -6.799 -11.159 729 HB2 ASP 92 HB2 ASP 92 1.893 -5.006 -12.396 730 HB3 ASP 92 HB3 ASP 92 1.816 -4.188 -10.842 731 HA PRO 93 HA PRO 93 3.088 -6.368 -6.569 732 HB2 PRO 93 HB2 PRO 93 5.031 -8.487 -6.363 733 HB3 PRO 93 HB3 PRO 93 3.348 -8.504 -5.823 734 HG2 PRO 93 HG2 PRO 93 4.284 -10.056 -7.869 735 HG3 PRO 93 HG3 PRO 93 2.598 -9.523 -7.721 736 HD2 PRO 93 HD2 PRO 93 4.788 -8.388 -9.422 737 HD3 PRO 93 HD3 PRO 93 3.078 -8.674 -9.823 738 H LYS 94 H LYS 94 4.318 -4.749 -5.810 739 HA LYS 94 HA LYS 94 7.206 -4.838 -6.054 740 HB2 LYS 94 HB2 LYS 94 7.317 -2.460 -6.938 741 HB3 LYS 94 HB3 LYS 94 6.879 -3.706 -8.091 742 HG2 LYS 94 HG2 LYS 94 5.300 -2.202 -8.677 743 HG3 LYS 94 HG3 LYS 94 4.422 -2.919 -7.326 744 HD2 LYS 94 HD2 LYS 94 5.145 -1.153 -5.855 745 HD3 LYS 94 HD3 LYS 94 6.188 -0.482 -7.112 746 HE2 LYS 94 HE2 LYS 94 4.235 0.005 -8.487 747 HE3 LYS 94 HE3 LYS 94 3.182 -0.690 -7.255 748 HZ1 LYS 94 HZ1 LYS 94 3.316 1.763 -7.194 749 HZ2 LYS 94 HZ2 LYS 94 4.957 1.645 -6.801 750 HZ3 LYS 94 HZ3 LYS 94 3.789 1.035 -5.742 751 H VAL 95 H VAL 95 8.315 -3.635 -4.532 752 HA VAL 95 HA VAL 95 6.917 -3.055 -2.132 753 HB VAL 95 HB VAL 95 9.734 -2.284 -2.624 754 HG11 VAL 95 HG11 VAL 95 9.989 -2.856 -0.219 755 HG12 VAL 95 HG12 VAL 95 8.249 -3.128 -0.151 756 HG13 VAL 95 HG13 VAL 95 8.876 -1.521 -0.513 757 HG21 VAL 95 HG21 VAL 95 9.156 -4.692 -3.320 758 HG22 VAL 95 HG22 VAL 95 9.006 -4.994 -1.588 759 HG23 VAL 95 HG23 VAL 95 10.540 -4.436 -2.260 760 H ALA 96 H ALA 96 6.450 -1.176 -1.118 761 HA ALA 96 HA ALA 96 6.131 1.153 -2.733 762 HB1 ALA 96 HB1 ALA 96 4.853 2.041 -0.903 763 HB2 ALA 96 HB2 ALA 96 5.458 0.780 0.173 764 HB3 ALA 96 HB3 ALA 96 4.397 0.358 -1.171 765 H PHE 97 H PHE 97 6.780 3.307 -2.109 766 HA PHE 97 HA PHE 97 9.379 3.404 -0.764 767 HB2 PHE 97 HB2 PHE 97 8.227 4.690 -3.164 768 HB3 PHE 97 HB3 PHE 97 9.218 5.721 -2.151 769 HD1 PHE 97 HD1 PHE 97 11.584 5.495 -2.110 770 HD2 PHE 97 HD2 PHE 97 9.190 2.625 -4.150 771 HE1 PHE 97 HE1 PHE 97 13.607 4.539 -3.134 772 HE2 PHE 97 HE2 PHE 97 11.210 1.667 -5.177 773 HZ PHE 97 HZ PHE 97 13.420 2.622 -4.668 774 HA PRO 98 HA PRO 98 7.158 5.856 2.344 775 HB2 PRO 98 HB2 PRO 98 9.796 6.639 3.380 776 HB3 PRO 98 HB3 PRO 98 8.526 5.686 4.160 777 HG2 PRO 98 HG2 PRO 98 10.799 4.535 3.381 778 HG3 PRO 98 HG3 PRO 98 9.239 3.696 3.232 779 HD2 PRO 98 HD2 PRO 98 10.788 5.153 1.116 780 HD3 PRO 98 HD3 PRO 98 10.039 3.542 1.059 781 H ARG 99 H ARG 99 7.244 8.112 3.293 782 HA ARG 99 HA ARG 99 7.738 10.011 1.132 783 HB2 ARG 99 HB2 ARG 99 5.924 9.879 3.461 784 HB3 ARG 99 HB3 ARG 99 6.495 11.484 3.021 785 HG2 ARG 99 HG2 ARG 99 5.581 11.292 0.829 786 HG3 ARG 99 HG3 ARG 99 5.212 9.583 1.073 787 HD2 ARG 99 HD2 ARG 99 4.032 11.657 2.880 788 HD3 ARG 99 HD3 ARG 99 3.317 11.350 1.298 789 HE ARG 99 HE ARG 99 3.628 8.889 2.547 790 HH11 ARG 99 HH11 ARG 99 1.770 11.822 3.091 791 HH12 ARG 99 HH12 ARG 99 0.478 10.990 3.892 792 HH21 ARG 99 HH21 ARG 99 0.564 8.727 4.170 793 HH22 ARG 99 HH22 ARG 99 1.920 7.822 3.585 794 H ARG 100 H ARG 100 9.250 9.034 4.020 795 HA ARG 100 HA ARG 100 10.561 11.627 4.431 796 HB2 ARG 100 HB2 ARG 100 9.607 9.959 6.284 797 HB3 ARG 100 HB3 ARG 100 11.209 9.256 6.121 798 HG2 ARG 100 HG2 ARG 100 11.597 10.740 7.812 799 HG3 ARG 100 HG3 ARG 100 11.977 11.760 6.424 800 HD2 ARG 100 HD2 ARG 100 9.766 12.754 6.510 801 HD3 ARG 100 HD3 ARG 100 9.305 11.676 7.827 802 HE ARG 100 HE ARG 100 11.598 13.132 8.568 803 HH11 ARG 100 HH11 ARG 100 8.076 14.966 9.180 804 HH12 ARG 100 HH12 ARG 100 8.158 13.645 8.064 805 HH21 ARG 100 HH21 ARG 100 11.463 14.861 10.027 806 HH22 ARG 100 HH22 ARG 100 9.945 15.653 10.290 807 H ALA 101 H ALA 101 12.513 12.028 3.620 808 HA ALA 101 HA ALA 101 13.955 9.963 2.247 809 HB1 ALA 101 HB1 ALA 101 14.614 11.578 0.864 810 HB2 ALA 101 HB2 ALA 101 15.205 12.567 2.195 811 HB3 ALA 101 HB3 ALA 101 13.503 12.636 1.738 812 H GLN 102 H GLN 102 16.404 10.102 2.294 813 HA GLN 102 HA GLN 102 17.385 10.317 5.069 814 HB2 GLN 102 HB2 GLN 102 17.930 8.236 2.964 815 HB3 GLN 102 HB3 GLN 102 19.048 8.496 4.294 816 HG2 GLN 102 HG2 GLN 102 17.262 7.992 5.888 817 HG3 GLN 102 HG3 GLN 102 16.149 7.721 4.547 818 HE21 GLN 102 HE21 GLN 102 18.912 6.507 6.277 819 HE22 GLN 102 HE22 GLN 102 18.876 4.909 5.620 820 HA PRO 103 HA PRO 103 20.547 12.980 3.377 821 HB2 PRO 103 HB2 PRO 103 22.523 12.782 5.205 822 HB3 PRO 103 HB3 PRO 103 20.989 13.588 5.557 823 HG2 PRO 103 HG2 PRO 103 21.917 10.879 6.364 824 HG3 PRO 103 HG3 PRO 103 20.947 12.055 7.270 825 HD2 PRO 103 HD2 PRO 103 19.917 9.861 5.946 826 HD3 PRO 103 HD3 PRO 103 18.993 11.312 6.377 827 H LYS 104 H LYS 104 23.027 13.042 2.916 828 HA LYS 104 HA LYS 104 23.655 10.736 1.285 829 HB2 LYS 104 HB2 LYS 104 24.939 13.431 1.670 830 HB3 LYS 104 HB3 LYS 104 25.715 12.167 0.725 831 HG2 LYS 104 HG2 LYS 104 23.831 12.112 -0.800 832 HG3 LYS 104 HG3 LYS 104 22.988 13.321 0.173 833 HD2 LYS 104 HD2 LYS 104 24.730 14.948 -0.298 834 HD3 LYS 104 HD3 LYS 104 25.640 13.739 -1.207 835 HE2 LYS 104 HE2 LYS 104 23.850 13.582 -2.837 836 HE3 LYS 104 HE3 LYS 104 22.877 14.721 -1.908 837 HZ1 LYS 104 HZ1 LYS 104 24.018 15.748 -3.809 838 HZ2 LYS 104 HZ2 LYS 104 25.512 15.355 -3.119 839 HZ3 LYS 104 HZ3 LYS 104 24.478 16.438 -2.334 840 H MET 105 H MET 105 25.312 9.316 1.522 841 HA MET 105 HA MET 105 26.578 9.183 4.156 842 HB2 MET 105 HB2 MET 105 26.280 7.168 1.926 843 HB3 MET 105 HB3 MET 105 27.244 6.870 3.364 844 HG2 MET 105 HG2 MET 105 24.326 7.573 3.458 845 HG3 MET 105 HG3 MET 105 24.922 5.916 3.373 846 HE1 MET 105 HE1 MET 105 23.851 5.941 7.064 847 HE2 MET 105 HE2 MET 105 23.635 5.264 5.450 848 HE3 MET 105 HE3 MET 105 23.003 6.867 5.827 849 H VAL 106 H VAL 106 28.720 9.388 4.497 850 HA VAL 106 HA VAL 106 30.433 9.857 2.152 851 HB VAL 106 HB VAL 106 30.906 10.918 4.957 852 HG11 VAL 106 HG11 VAL 106 32.250 11.609 2.342 853 HG12 VAL 106 HG12 VAL 106 32.958 10.668 3.655 854 HG13 VAL 106 HG13 VAL 106 32.573 12.372 3.899 855 HG21 VAL 106 HG21 VAL 106 28.893 11.918 3.884 856 HG22 VAL 106 HG22 VAL 106 29.925 12.474 2.566 857 HG23 VAL 106 HG23 VAL 106 30.180 13.081 4.202 858 H THR 107 H THR 107 30.676 8.749 5.542 859 HA THR 107 HA THR 107 32.774 6.916 4.784 860 HB THR 107 HB THR 107 31.923 7.450 7.618 861 HG1 THR 107 HG1 THR 107 32.851 9.292 5.946 862 HG21 THR 107 HG21 THR 107 34.261 6.923 8.127 863 HG22 THR 107 HG22 THR 107 34.602 6.732 6.407 864 HG23 THR 107 HG23 THR 107 33.512 5.609 7.220 865 H ARG 108 H ARG 108 31.706 5.210 3.897 866 HA ARG 108 HA ARG 108 29.482 3.977 5.335 867 HB2 ARG 108 HB2 ARG 108 30.608 3.606 2.571 868 HB3 ARG 108 HB3 ARG 108 29.450 2.473 3.255 869 HG2 ARG 108 HG2 ARG 108 27.845 4.303 3.546 870 HG3 ARG 108 HG3 ARG 108 29.005 5.420 2.825 871 HD2 ARG 108 HD2 ARG 108 28.906 4.283 0.730 872 HD3 ARG 108 HD3 ARG 108 27.964 2.964 1.426 873 HE ARG 108 HE ARG 108 26.315 4.969 1.866 874 HH11 ARG 108 HH11 ARG 108 28.172 4.323 -1.045 875 HH12 ARG 108 HH12 ARG 108 27.011 5.075 -2.088 876 HH21 ARG 108 HH21 ARG 108 25.112 5.992 -1.223 877 HH22 ARG 108 HH22 ARG 108 24.812 5.945 0.483 878 H THR 109 H THR 109 29.439 1.848 5.990 879 HA THR 109 HA THR 109 32.052 0.700 6.628 880 HB THR 109 HB THR 109 30.624 -0.875 8.063 881 HG1 THR 109 HG1 THR 109 28.687 0.604 6.872 882 HG21 THR 109 HG21 THR 109 30.664 2.084 8.668 883 HG22 THR 109 HG22 THR 109 31.930 0.916 9.049 884 HG23 THR 109 HG23 THR 109 30.362 0.812 9.851 885 H LYS 110 H LYS 110 32.614 -1.419 6.148 886 HA LYS 110 HA LYS 110 31.077 -2.677 4.032 887 HB2 LYS 110 HB2 LYS 110 34.012 -2.596 4.605 888 HB3 LYS 110 HB3 LYS 110 33.339 -3.898 3.634 889 HG2 LYS 110 HG2 LYS 110 32.407 -2.206 2.087 890 HG3 LYS 110 HG3 LYS 110 33.216 -0.952 3.030 891 HD2 LYS 110 HD2 LYS 110 35.379 -1.955 2.542 892 HD3 LYS 110 HD3 LYS 110 34.590 -3.259 1.651 893 HE2 LYS 110 HE2 LYS 110 33.749 -1.672 0.022 894 HE3 LYS 110 HE3 LYS 110 34.441 -0.332 0.936 895 HZ1 LYS 110 HZ1 LYS 110 35.958 -2.515 -0.390 896 HZ2 LYS 110 HZ2 LYS 110 36.646 -1.277 0.535 897 HZ3 LYS 110 HZ3 LYS 110 35.854 -0.909 -0.914 898 H LYS 111 H LYS 111 32.910 -3.355 6.977 899 HA LYS 111 HA LYS 111 32.245 -6.118 7.041 900 HB2 LYS 111 HB2 LYS 111 33.556 -4.282 9.033 901 HB3 LYS 111 HB3 LYS 111 33.231 -5.973 9.386 902 HG2 LYS 111 HG2 LYS 111 34.659 -6.659 7.550 903 HG3 LYS 111 HG3 LYS 111 34.938 -4.972 7.113 904 HD2 LYS 111 HD2 LYS 111 35.935 -4.613 9.361 905 HD3 LYS 111 HD3 LYS 111 35.757 -6.339 9.676 906 HE2 LYS 111 HE2 LYS 111 37.278 -5.276 7.310 907 HE3 LYS 111 HE3 LYS 111 38.037 -5.540 8.879 908 HZ1 LYS 111 HZ1 LYS 111 37.416 -7.868 8.753 909 HZ2 LYS 111 HZ2 LYS 111 38.339 -7.434 7.405 910 HZ3 LYS 111 HZ3 LYS 111 36.664 -7.618 7.259 Start of MODEL 4 1 H1 MET -3 H1 MET -3 21.279 13.808 47.502 2 H2 MET -3 H2 MET -3 21.836 12.890 46.196 3 H3 MET -3 H3 MET -3 20.880 12.168 47.390 4 HA MET -3 HA MET -3 20.006 14.307 45.538 5 HB2 MET -3 HB2 MET -3 19.530 11.329 45.577 6 HB3 MET -3 HB3 MET -3 18.469 12.434 44.715 7 HG2 MET -3 HG2 MET -3 20.369 13.195 43.368 8 HG3 MET -3 HG3 MET -3 21.415 12.061 44.220 9 HE1 MET -3 HE1 MET -3 21.039 10.516 40.614 10 HE2 MET -3 HE2 MET -3 22.184 11.071 41.836 11 HE3 MET -3 HE3 MET -3 21.112 12.225 41.043 12 H HIS -2 H HIS -2 18.023 15.165 45.897 13 HA HIS -2 HA HIS -2 16.780 14.540 48.475 14 HB2 HIS -2 HB2 HIS -2 15.572 16.731 48.130 15 HB3 HIS -2 HB3 HIS -2 17.317 16.857 48.291 16 HD1 HIS -2 HD1 HIS -2 14.531 17.716 46.070 17 HD2 HIS -2 HD2 HIS -2 18.664 17.399 45.773 18 HE1 HIS -2 HE1 HIS -2 15.148 18.935 43.960 19 HE2 HIS -2 HE2 HIS -2 17.655 18.732 43.799 20 H HIS -1 H HIS -1 14.495 14.366 48.691 21 HA HIS -1 HA HIS -1 13.218 13.183 46.323 22 HB2 HIS -1 HB2 HIS -1 13.456 12.276 48.961 23 HB3 HIS -1 HB3 HIS -1 11.778 12.787 48.806 24 HD1 HIS -1 HD1 HIS -1 10.276 11.446 47.185 25 HD2 HIS -1 HD2 HIS -1 14.171 10.027 47.458 26 HE1 HIS -1 HE1 HIS -1 10.244 9.182 46.094 27 HE2 HIS -1 HE2 HIS -1 12.613 8.340 46.271 28 H HIS 0 H HIS 0 11.345 13.951 45.512 29 HA HIS 0 HA HIS 0 9.949 16.096 46.952 30 HB2 HIS 0 HB2 HIS 0 9.607 17.237 44.694 31 HB3 HIS 0 HB3 HIS 0 11.213 17.354 45.397 32 HD1 HIS 0 HD1 HIS 0 9.358 15.429 42.706 33 HD2 HIS 0 HD2 HIS 0 13.232 16.486 43.772 34 HE1 HIS 0 HE1 HIS 0 10.807 14.701 40.784 35 HE2 HIS 0 HE2 HIS 0 13.148 15.351 41.451 36 H HIS 1 H HIS 1 7.774 16.060 46.854 37 HA HIS 1 HA HIS 1 6.535 13.860 45.338 38 HB2 HIS 1 HB2 HIS 1 6.441 14.181 47.989 39 HB3 HIS 1 HB3 HIS 1 5.086 15.218 47.559 40 HD1 HIS 1 HD1 HIS 1 6.015 11.721 48.061 41 HD2 HIS 1 HD2 HIS 1 2.972 13.801 46.142 42 HE1 HIS 1 HE1 HIS 1 4.193 10.034 47.666 43 HE2 HIS 1 HE2 HIS 1 2.360 11.314 46.503 44 H HIS 2 H HIS 2 4.904 14.248 43.934 45 HA HIS 2 HA HIS 2 3.826 16.979 43.742 46 HB2 HIS 2 HB2 HIS 2 5.679 16.171 41.993 47 HB3 HIS 2 HB3 HIS 2 4.268 15.461 41.216 48 HD1 HIS 2 HD1 HIS 2 2.271 17.266 40.714 49 HD2 HIS 2 HD2 HIS 2 6.078 18.787 41.397 50 HE1 HIS 2 HE1 HIS 2 2.233 19.608 39.800 51 HE2 HIS 2 HE2 HIS 2 4.547 20.510 40.223 52 H HIS 3 H HIS 3 1.714 17.156 42.947 53 HA HIS 3 HA HIS 3 0.149 14.678 43.109 54 HB2 HIS 3 HB2 HIS 3 -0.565 17.581 43.482 55 HB3 HIS 3 HB3 HIS 3 -1.799 16.342 43.283 56 HD1 HIS 3 HD1 HIS 3 -2.018 14.577 45.209 57 HD2 HIS 3 HD2 HIS 3 0.622 17.692 45.983 58 HE1 HIS 3 HE1 HIS 3 -1.583 14.491 47.685 59 HE2 HIS 3 HE2 HIS 3 0.018 16.383 48.132 60 H SER 4 H SER 4 -0.873 13.852 41.412 61 HA SER 4 HA SER 4 -0.699 15.237 38.837 62 HB2 SER 4 HB2 SER 4 0.121 12.874 39.093 63 HB3 SER 4 HB3 SER 4 -1.547 12.383 39.388 64 HG SER 4 HG SER 4 -0.347 13.308 37.026 65 H THR 5 H THR 5 -2.431 15.973 37.737 66 HA THR 5 HA THR 5 -5.103 15.294 38.743 67 HB THR 5 HB THR 5 -4.707 17.491 39.594 68 HG1 THR 5 HG1 THR 5 -6.656 16.961 37.921 69 HG21 THR 5 HG21 THR 5 -4.147 19.431 38.206 70 HG22 THR 5 HG22 THR 5 -4.001 18.386 36.792 71 HG23 THR 5 HG23 THR 5 -2.873 18.214 38.136 72 H SER 6 H SER 6 -3.345 16.683 35.970 73 HA SER 6 HA SER 6 -5.473 15.802 34.160 74 HB2 SER 6 HB2 SER 6 -3.050 17.555 33.683 75 HB3 SER 6 HB3 SER 6 -4.240 17.133 32.450 76 HG SER 6 HG SER 6 -5.802 18.052 34.064 77 H VAL 7 H VAL 7 -5.280 14.107 32.841 78 HA VAL 7 HA VAL 7 -2.782 12.569 32.888 79 HB VAL 7 HB VAL 7 -5.418 11.634 31.729 80 HG11 VAL 7 HG11 VAL 7 -3.470 10.307 31.105 81 HG12 VAL 7 HG12 VAL 7 -4.522 9.394 32.186 82 HG13 VAL 7 HG13 VAL 7 -3.038 10.118 32.804 83 HG21 VAL 7 HG21 VAL 7 -5.835 12.278 34.047 84 HG22 VAL 7 HG22 VAL 7 -4.473 11.290 34.575 85 HG23 VAL 7 HG23 VAL 7 -5.892 10.525 33.860 86 H ASP 8 H ASP 8 -1.433 12.639 31.225 87 HA ASP 8 HA ASP 8 -2.216 13.898 28.721 88 HB2 ASP 8 HB2 ASP 8 0.440 12.983 29.828 89 HB3 ASP 8 HB3 ASP 8 0.256 13.590 28.185 90 H LEU 9 H LEU 9 -2.318 12.918 26.745 91 HA LEU 9 HA LEU 9 -2.513 10.017 26.733 92 HB2 LEU 9 HB2 LEU 9 -3.373 12.198 24.878 93 HB3 LEU 9 HB3 LEU 9 -3.221 10.566 24.261 94 HG LEU 9 HG LEU 9 -4.928 11.181 26.665 95 HD11 LEU 9 HD11 LEU 9 -6.836 11.269 25.101 96 HD12 LEU 9 HD12 LEU 9 -5.694 11.277 23.756 97 HD13 LEU 9 HD13 LEU 9 -5.718 12.618 24.900 98 HD21 LEU 9 HD21 LEU 9 -4.442 8.835 26.337 99 HD22 LEU 9 HD22 LEU 9 -4.892 8.945 24.636 100 HD23 LEU 9 HD23 LEU 9 -6.120 9.144 25.885 101 H GLY 10 H GLY 10 -1.877 9.137 24.349 102 HA2 GLY 10 HA2 GLY 10 -0.032 9.480 22.663 103 HA3 GLY 10 HA3 GLY 10 1.006 9.733 24.061 104 H THR 11 H THR 11 -1.237 7.348 22.669 105 HA THR 11 HA THR 11 0.591 5.206 23.556 106 HB THR 11 HB THR 11 -1.331 3.736 23.956 107 HG1 THR 11 HG1 THR 11 -3.450 4.665 23.917 108 HG21 THR 11 HG21 THR 11 -1.445 6.379 25.401 109 HG22 THR 11 HG22 THR 11 -0.539 4.939 25.878 110 HG23 THR 11 HG23 THR 11 -2.302 4.930 25.933 111 H GLU 12 H GLU 12 -1.290 6.619 21.086 112 HA GLU 12 HA GLU 12 -1.147 4.317 19.298 113 HB2 GLU 12 HB2 GLU 12 -2.262 6.992 18.547 114 HB3 GLU 12 HB3 GLU 12 -2.716 5.408 17.934 115 HG2 GLU 12 HG2 GLU 12 -3.754 4.916 20.119 116 HG3 GLU 12 HG3 GLU 12 -3.342 6.552 20.637 117 H ASN 13 H ASN 13 -0.097 7.607 19.587 118 HA ASN 13 HA ASN 13 1.478 7.639 17.183 119 HB2 ASN 13 HB2 ASN 13 0.255 9.587 18.417 120 HB3 ASN 13 HB3 ASN 13 1.710 9.661 19.389 121 HD21 ASN 13 HD21 ASN 13 0.343 11.383 17.469 122 HD22 ASN 13 HD22 ASN 13 1.553 11.825 16.356 123 H LEU 14 H LEU 14 2.245 5.517 18.914 124 HA LEU 14 HA LEU 14 4.697 6.241 20.267 125 HB2 LEU 14 HB2 LEU 14 2.930 4.374 20.840 126 HB3 LEU 14 HB3 LEU 14 3.877 3.417 19.722 127 HG LEU 14 HG LEU 14 5.902 4.004 21.197 128 HD11 LEU 14 HD11 LEU 14 4.891 5.824 22.472 129 HD12 LEU 14 HD12 LEU 14 5.383 4.511 23.540 130 HD13 LEU 14 HD13 LEU 14 3.683 4.713 23.118 131 HD21 LEU 14 HD21 LEU 14 3.827 2.353 22.598 132 HD22 LEU 14 HD22 LEU 14 5.571 2.102 22.515 133 HD23 LEU 14 HD23 LEU 14 4.569 1.819 21.094 134 H TYR 15 H TYR 15 6.770 5.208 19.789 135 HA TYR 15 HA TYR 15 7.347 5.322 16.946 136 HB2 TYR 15 HB2 TYR 15 9.021 5.257 19.437 137 HB3 TYR 15 HB3 TYR 15 9.753 5.001 17.857 138 HD1 TYR 15 HD1 TYR 15 9.912 6.812 16.251 139 HD2 TYR 15 HD2 TYR 15 8.117 7.434 20.058 140 HE1 TYR 15 HE1 TYR 15 10.039 9.242 15.907 141 HE2 TYR 15 HE2 TYR 15 8.241 9.867 19.725 142 HH TYR 15 HH TYR 15 8.946 11.276 16.709 143 H PHE 16 H PHE 16 6.686 2.801 19.152 144 HA PHE 16 HA PHE 16 8.405 0.827 18.039 145 HB2 PHE 16 HB2 PHE 16 6.180 0.788 20.029 146 HB3 PHE 16 HB3 PHE 16 6.791 -0.725 19.378 147 HD1 PHE 16 HD1 PHE 16 7.640 2.248 21.374 148 HD2 PHE 16 HD2 PHE 16 8.913 -1.580 20.017 149 HE1 PHE 16 HE1 PHE 16 9.485 2.288 23.001 150 HE2 PHE 16 HE2 PHE 16 10.759 -1.547 21.643 151 HZ PHE 16 HZ PHE 16 11.047 0.390 23.137 152 H GLN 17 H GLN 17 5.706 2.243 16.760 153 HA GLN 17 HA GLN 17 4.495 -0.124 15.593 154 HB2 GLN 17 HB2 GLN 17 3.917 2.826 15.348 155 HB3 GLN 17 HB3 GLN 17 3.088 1.624 14.370 156 HG2 GLN 17 HG2 GLN 17 3.120 1.462 17.366 157 HG3 GLN 17 HG3 GLN 17 1.942 2.445 16.505 158 HE21 GLN 17 HE21 GLN 17 0.210 1.237 17.211 159 HE22 GLN 17 HE22 GLN 17 -0.117 -0.360 16.641 160 H SER 18 H SER 18 4.844 -0.924 13.616 161 HA SER 18 HA SER 18 6.981 0.213 12.001 162 HB2 SER 18 HB2 SER 18 5.453 -2.384 11.712 163 HB3 SER 18 HB3 SER 18 6.850 -1.910 10.744 164 HG SER 18 HG SER 18 7.595 -1.621 13.226 165 H ASN 19 H ASN 19 6.811 0.787 9.842 166 HA ASN 19 HA ASN 19 4.092 1.066 8.749 167 HB2 ASN 19 HB2 ASN 19 5.353 3.213 9.702 168 HB3 ASN 19 HB3 ASN 19 6.119 3.168 8.124 169 HD21 ASN 19 HD21 ASN 19 4.338 5.002 9.454 170 HD22 ASN 19 HD22 ASN 19 3.026 5.205 8.384 171 H ALA 20 H ALA 20 7.570 1.007 8.029 172 HA ALA 20 HA ALA 20 7.208 0.581 5.203 173 HB1 ALA 20 HB1 ALA 20 9.693 0.377 6.901 174 HB2 ALA 20 HB2 ALA 20 9.133 1.818 6.051 175 HB3 ALA 20 HB3 ALA 20 9.641 0.396 5.138 176 H GLY 21 H GLY 21 7.845 -1.293 4.027 177 HA2 GLY 21 HA2 GLY 21 8.712 -3.598 4.113 178 HA3 GLY 21 HA3 GLY 21 7.811 -3.791 5.607 179 H LYS 22 H LYS 22 5.841 -1.986 3.720 180 HA LYS 22 HA LYS 22 4.149 -4.209 3.064 181 HB2 LYS 22 HB2 LYS 22 3.928 -1.247 3.003 182 HB3 LYS 22 HB3 LYS 22 2.836 -2.172 1.980 183 HG2 LYS 22 HG2 LYS 22 1.716 -3.069 3.742 184 HG3 LYS 22 HG3 LYS 22 3.119 -2.982 4.808 185 HD2 LYS 22 HD2 LYS 22 2.885 -0.565 4.948 186 HD3 LYS 22 HD3 LYS 22 1.488 -0.632 3.868 187 HE2 LYS 22 HE2 LYS 22 0.243 -1.917 5.496 188 HE3 LYS 22 HE3 LYS 22 1.651 -1.997 6.552 189 HZ1 LYS 22 HZ1 LYS 22 1.555 0.409 6.794 190 HZ2 LYS 22 HZ2 LYS 22 0.109 -0.310 7.298 191 HZ3 LYS 22 HZ3 LYS 22 0.187 0.473 5.801 192 H MET 23 H MET 23 3.381 -4.786 1.082 193 HA MET 23 HA MET 23 4.912 -3.913 -1.238 194 HB2 MET 23 HB2 MET 23 4.248 -6.591 -0.198 195 HB3 MET 23 HB3 MET 23 4.023 -6.379 -1.920 196 HG2 MET 23 HG2 MET 23 6.428 -5.351 -1.807 197 HG3 MET 23 HG3 MET 23 6.524 -6.273 -0.309 198 HE1 MET 23 HE1 MET 23 5.593 -6.509 -4.110 199 HE2 MET 23 HE2 MET 23 6.678 -7.815 -4.584 200 HE3 MET 23 HE3 MET 23 7.337 -6.314 -3.936 201 H PHE 24 H PHE 24 3.822 -3.166 -2.802 202 HA PHE 24 HA PHE 24 0.950 -2.907 -2.758 203 HB2 PHE 24 HB2 PHE 24 2.382 -0.903 -3.005 204 HB3 PHE 24 HB3 PHE 24 3.097 -1.576 -4.455 205 HD1 PHE 24 HD1 PHE 24 -0.540 -1.917 -4.016 206 HD2 PHE 24 HD2 PHE 24 2.594 0.502 -5.593 207 HE1 PHE 24 HE1 PHE 24 -2.167 -0.675 -5.370 208 HE2 PHE 24 HE2 PHE 24 0.961 1.734 -6.954 209 HZ PHE 24 HZ PHE 24 -1.424 1.147 -6.842 210 H ILE 25 H ILE 25 -0.006 -4.598 -3.681 211 HA ILE 25 HA ILE 25 1.102 -5.946 -5.995 212 HB ILE 25 HB ILE 25 -1.387 -6.814 -4.737 213 HG12 ILE 25 HG12 ILE 25 0.054 -6.211 -2.804 214 HG13 ILE 25 HG13 ILE 25 -0.347 -7.906 -2.860 215 HG21 ILE 25 HG21 ILE 25 -0.661 -8.116 -6.563 216 HG22 ILE 25 HG22 ILE 25 -0.355 -9.079 -5.119 217 HG23 ILE 25 HG23 ILE 25 0.973 -8.239 -5.915 218 HD11 ILE 25 HD11 ILE 25 1.886 -8.436 -3.663 219 HD12 ILE 25 HD12 ILE 25 1.968 -7.505 -2.167 220 HD13 ILE 25 HD13 ILE 25 2.284 -6.718 -3.713 221 H GLY 26 H GLY 26 0.550 -5.140 -7.871 222 HA2 GLY 26 HA2 GLY 26 -2.027 -3.900 -8.229 223 HA3 GLY 26 HA3 GLY 26 -0.653 -3.596 -9.232 224 H GLY 27 H GLY 27 -3.215 -4.062 -10.118 225 HA2 GLY 27 HA2 GLY 27 -4.199 -5.082 -11.919 226 HA3 GLY 27 HA3 GLY 27 -2.725 -5.998 -12.137 227 H LEU 28 H LEU 28 -4.529 -6.213 -9.120 228 HA LEU 28 HA LEU 28 -4.661 -8.988 -9.140 229 HB2 LEU 28 HB2 LEU 28 -6.467 -7.078 -7.638 230 HB3 LEU 28 HB3 LEU 28 -6.203 -8.763 -7.248 231 HG LEU 28 HG LEU 28 -3.929 -6.789 -7.215 232 HD11 LEU 28 HD11 LEU 28 -4.325 -6.439 -4.853 233 HD12 LEU 28 HD12 LEU 28 -5.759 -7.463 -4.914 234 HD13 LEU 28 HD13 LEU 28 -5.737 -5.927 -5.779 235 HD21 LEU 28 HD21 LEU 28 -2.826 -8.372 -5.879 236 HD22 LEU 28 HD22 LEU 28 -3.613 -9.338 -7.125 237 HD23 LEU 28 HD23 LEU 28 -4.315 -9.236 -5.512 238 H SER 29 H SER 29 -6.915 -10.179 -8.891 239 HA SER 29 HA SER 29 -8.434 -9.592 -11.288 240 HB2 SER 29 HB2 SER 29 -7.251 -11.854 -10.849 241 HB3 SER 29 HB3 SER 29 -8.553 -12.152 -9.698 242 HG SER 29 HG SER 29 -9.472 -12.894 -11.462 243 H TRP 30 H TRP 30 -10.707 -10.478 -11.047 244 HA TRP 30 HA TRP 30 -12.167 -8.846 -9.280 245 HB2 TRP 30 HB2 TRP 30 -14.103 -9.808 -10.432 246 HB3 TRP 30 HB3 TRP 30 -12.887 -9.312 -11.583 247 HD1 TRP 30 HD1 TRP 30 -11.067 -11.793 -11.802 248 HE1 TRP 30 HE1 TRP 30 -11.907 -14.037 -12.685 249 HE3 TRP 30 HE3 TRP 30 -16.101 -11.162 -11.056 250 HZ2 TRP 30 HZ2 TRP 30 -14.323 -15.366 -13.058 251 HZ3 TRP 30 HZ3 TRP 30 -17.608 -12.991 -11.722 252 HH2 TRP 30 HH2 TRP 30 -16.738 -15.053 -12.704 253 H GLN 31 H GLN 31 -10.922 -11.984 -9.116 254 HA GLN 31 HA GLN 31 -12.803 -12.958 -7.117 255 HB2 GLN 31 HB2 GLN 31 -10.591 -14.232 -8.694 256 HB3 GLN 31 HB3 GLN 31 -11.460 -15.082 -7.421 257 HG2 GLN 31 HG2 GLN 31 -13.567 -14.686 -8.686 258 HG3 GLN 31 HG3 GLN 31 -12.595 -14.000 -9.990 259 HE21 GLN 31 HE21 GLN 31 -13.344 -16.883 -8.191 260 HE22 GLN 31 HE22 GLN 31 -12.742 -18.011 -9.353 261 H THR 32 H THR 32 -9.596 -11.763 -7.455 262 HA THR 32 HA THR 32 -8.381 -12.861 -5.181 263 HB THR 32 HB THR 32 -7.623 -10.203 -6.175 264 HG1 THR 32 HG1 THR 32 -7.555 -10.950 -8.146 265 HG21 THR 32 HG21 THR 32 -6.204 -11.110 -4.472 266 HG22 THR 32 HG22 THR 32 -5.331 -11.218 -6.000 267 HG23 THR 32 HG23 THR 32 -6.098 -12.651 -5.321 268 H SER 33 H SER 33 -8.964 -12.645 -3.183 269 HA SER 33 HA SER 33 -10.097 -10.143 -2.130 270 HB2 SER 33 HB2 SER 33 -10.224 -13.003 -1.159 271 HB3 SER 33 HB3 SER 33 -10.807 -11.639 -0.212 272 HG SER 33 HG SER 33 -12.120 -11.164 -2.166 273 HA PRO 34 HA PRO 34 -6.482 -9.295 0.351 274 HB2 PRO 34 HB2 PRO 34 -7.519 -8.956 2.903 275 HB3 PRO 34 HB3 PRO 34 -7.445 -7.696 1.665 276 HG2 PRO 34 HG2 PRO 34 -9.737 -9.449 2.425 277 HG3 PRO 34 HG3 PRO 34 -9.731 -7.726 1.994 278 HD2 PRO 34 HD2 PRO 34 -10.538 -9.555 0.240 279 HD3 PRO 34 HD3 PRO 34 -9.580 -8.157 -0.278 280 H ASP 35 H ASP 35 -8.679 -11.725 1.393 281 HA ASP 35 HA ASP 35 -6.854 -13.079 3.158 282 HB2 ASP 35 HB2 ASP 35 -9.600 -13.376 2.330 283 HB3 ASP 35 HB3 ASP 35 -8.792 -14.888 2.630 284 H SER 36 H SER 36 -7.933 -13.233 -0.101 285 HA SER 36 HA SER 36 -6.774 -15.735 -0.835 286 HB2 SER 36 HB2 SER 36 -8.650 -14.592 -2.080 287 HB3 SER 36 HB3 SER 36 -7.468 -13.419 -2.660 288 HG SER 36 HG SER 36 -7.992 -15.902 -3.571 289 H LEU 37 H LEU 37 -5.756 -12.350 -0.849 290 HA LEU 37 HA LEU 37 -3.328 -12.692 -2.234 291 HB2 LEU 37 HB2 LEU 37 -4.979 -10.698 -0.986 292 HB3 LEU 37 HB3 LEU 37 -3.328 -10.465 -0.535 293 HG LEU 37 HG LEU 37 -4.255 -10.679 -3.377 294 HD11 LEU 37 HD11 LEU 37 -5.340 -8.795 -2.364 295 HD12 LEU 37 HD12 LEU 37 -4.064 -8.221 -3.435 296 HD13 LEU 37 HD13 LEU 37 -3.813 -8.228 -1.688 297 HD21 LEU 37 HD21 LEU 37 -1.708 -9.574 -2.205 298 HD22 LEU 37 HD22 LEU 37 -2.139 -9.588 -3.912 299 HD23 LEU 37 HD23 LEU 37 -1.869 -11.105 -3.059 300 H ARG 38 H ARG 38 -4.354 -12.653 1.127 301 HA ARG 38 HA ARG 38 -1.828 -12.769 2.343 302 HB2 ARG 38 HB2 ARG 38 -4.291 -12.264 3.277 303 HB3 ARG 38 HB3 ARG 38 -4.192 -13.966 3.698 304 HG2 ARG 38 HG2 ARG 38 -2.042 -13.447 4.889 305 HG3 ARG 38 HG3 ARG 38 -2.392 -11.739 4.620 306 HD2 ARG 38 HD2 ARG 38 -4.282 -13.626 6.018 307 HD3 ARG 38 HD3 ARG 38 -3.083 -12.650 6.865 308 HE ARG 38 HE ARG 38 -4.728 -11.052 5.174 309 HH11 ARG 38 HH11 ARG 38 -4.728 -12.656 8.301 310 HH12 ARG 38 HH12 ARG 38 -5.900 -11.577 8.980 311 HH21 ARG 38 HH21 ARG 38 -6.766 -9.881 7.727 312 HH22 ARG 38 HH22 ARG 38 -6.261 -9.657 6.085 313 H ASP 39 H ASP 39 -4.287 -15.166 1.446 314 HA ASP 39 HA ASP 39 -2.916 -17.456 2.316 315 HB2 ASP 39 HB2 ASP 39 -5.240 -16.886 0.579 316 HB3 ASP 39 HB3 ASP 39 -4.467 -18.452 0.354 317 H TYR 40 H TYR 40 -2.917 -15.758 -0.814 318 HA TYR 40 HA TYR 40 -1.427 -17.723 -2.217 319 HB2 TYR 40 HB2 TYR 40 -2.986 -15.808 -3.093 320 HB3 TYR 40 HB3 TYR 40 -1.514 -14.848 -3.057 321 HD1 TYR 40 HD1 TYR 40 0.098 -15.039 -4.770 322 HD2 TYR 40 HD2 TYR 40 -3.036 -17.900 -4.502 323 HE1 TYR 40 HE1 TYR 40 0.749 -15.947 -6.960 324 HE2 TYR 40 HE2 TYR 40 -2.398 -18.816 -6.695 325 HH TYR 40 HH TYR 40 0.533 -18.009 -8.237 326 H PHE 41 H PHE 41 -0.574 -14.546 -0.837 327 HA PHE 41 HA PHE 41 2.154 -14.694 -1.512 328 HB2 PHE 41 HB2 PHE 41 0.406 -12.855 -0.062 329 HB3 PHE 41 HB3 PHE 41 2.128 -12.686 0.172 330 HD1 PHE 41 HD1 PHE 41 -0.509 -12.866 -2.425 331 HD2 PHE 41 HD2 PHE 41 3.439 -11.592 -1.477 332 HE1 PHE 41 HE1 PHE 41 -0.336 -11.735 -4.611 333 HE2 PHE 41 HE2 PHE 41 3.609 -10.456 -3.641 334 HZ PHE 41 HZ PHE 41 1.720 -10.530 -5.217 335 H SER 42 H SER 42 0.359 -15.822 1.257 336 HA SER 42 HA SER 42 2.435 -15.890 3.183 337 HB2 SER 42 HB2 SER 42 -0.182 -17.311 2.902 338 HB3 SER 42 HB3 SER 42 0.979 -17.898 4.092 339 HG SER 42 HG SER 42 0.380 -16.318 5.321 340 H LYS 43 H LYS 43 1.894 -17.452 0.407 341 HA LYS 43 HA LYS 43 3.168 -19.966 0.915 342 HB2 LYS 43 HB2 LYS 43 1.934 -18.602 -1.422 343 HB3 LYS 43 HB3 LYS 43 2.985 -19.964 -1.702 344 HG2 LYS 43 HG2 LYS 43 1.153 -20.671 0.354 345 HG3 LYS 43 HG3 LYS 43 0.254 -19.981 -0.997 346 HD2 LYS 43 HD2 LYS 43 1.327 -21.556 -2.524 347 HD3 LYS 43 HD3 LYS 43 2.264 -22.228 -1.190 348 HE2 LYS 43 HE2 LYS 43 0.449 -23.707 -1.540 349 HE3 LYS 43 HE3 LYS 43 0.068 -22.790 -0.084 350 HZ1 LYS 43 HZ1 LYS 43 -1.392 -21.383 -1.373 351 HZ2 LYS 43 HZ2 LYS 43 -1.842 -23.001 -1.568 352 HZ3 LYS 43 HZ3 LYS 43 -0.994 -22.207 -2.797 353 H PHE 44 H PHE 44 4.217 -16.841 0.270 354 HA PHE 44 HA PHE 44 6.781 -17.661 -0.908 355 HB2 PHE 44 HB2 PHE 44 5.108 -15.368 -1.168 356 HB3 PHE 44 HB3 PHE 44 6.700 -14.884 -0.614 357 HD1 PHE 44 HD1 PHE 44 4.734 -16.147 -3.364 358 HD2 PHE 44 HD2 PHE 44 8.691 -15.389 -1.990 359 HE1 PHE 44 HE1 PHE 44 5.564 -16.334 -5.670 360 HE2 PHE 44 HE2 PHE 44 9.531 -15.574 -4.297 361 HZ PHE 44 HZ PHE 44 7.960 -16.048 -6.140 362 H GLY 45 H GLY 45 5.287 -16.162 1.847 363 HA2 GLY 45 HA2 GLY 45 7.352 -16.780 3.640 364 HA3 GLY 45 HA3 GLY 45 7.337 -15.065 3.255 365 H GLU 46 H GLU 46 6.767 -14.768 5.479 366 HA GLU 46 HA GLU 46 4.076 -15.461 6.167 367 HB2 GLU 46 HB2 GLU 46 5.973 -16.025 7.756 368 HB3 GLU 46 HB3 GLU 46 6.089 -14.296 8.062 369 HG2 GLU 46 HG2 GLU 46 3.869 -14.213 8.912 370 HG3 GLU 46 HG3 GLU 46 3.545 -15.860 8.394 371 H ILE 47 H ILE 47 2.621 -14.088 6.401 372 HA ILE 47 HA ILE 47 3.121 -11.266 5.871 373 HB ILE 47 HB ILE 47 0.630 -12.814 5.435 374 HG12 ILE 47 HG12 ILE 47 1.842 -11.419 3.230 375 HG13 ILE 47 HG13 ILE 47 2.884 -12.636 3.939 376 HG21 ILE 47 HG21 ILE 47 -0.215 -10.761 4.288 377 HG22 ILE 47 HG22 ILE 47 1.145 -9.894 5.000 378 HG23 ILE 47 HG23 ILE 47 -0.082 -10.615 6.040 379 HD11 ILE 47 HD11 ILE 47 0.348 -12.933 2.419 380 HD12 ILE 47 HD12 ILE 47 0.691 -14.115 3.676 381 HD13 ILE 47 HD13 ILE 47 1.817 -13.911 2.333 382 H ARG 48 H ARG 48 2.504 -9.703 7.136 383 HA ARG 48 HA ARG 48 1.684 -10.269 9.851 384 HB2 ARG 48 HB2 ARG 48 3.441 -8.547 8.793 385 HB3 ARG 48 HB3 ARG 48 2.033 -7.517 8.771 386 HG2 ARG 48 HG2 ARG 48 1.835 -7.514 11.089 387 HG3 ARG 48 HG3 ARG 48 2.883 -8.921 11.274 388 HD2 ARG 48 HD2 ARG 48 4.791 -7.600 10.496 389 HD3 ARG 48 HD3 ARG 48 3.744 -6.194 10.309 390 HE ARG 48 HE ARG 48 3.370 -6.496 12.821 391 HH11 ARG 48 HH11 ARG 48 7.355 -6.990 12.650 392 HH12 ARG 48 HH12 ARG 48 6.405 -7.279 11.231 393 HH21 ARG 48 HH21 ARG 48 6.354 -6.332 14.590 394 HH22 ARG 48 HH22 ARG 48 4.637 -6.115 14.664 395 H GLU 49 H GLU 49 0.544 -8.554 6.996 396 HA GLU 49 HA GLU 49 -2.213 -8.781 7.660 397 HB2 GLU 49 HB2 GLU 49 -1.248 -6.721 8.994 398 HB3 GLU 49 HB3 GLU 49 -1.303 -5.926 7.430 399 HG2 GLU 49 HG2 GLU 49 -3.712 -6.424 7.293 400 HG3 GLU 49 HG3 GLU 49 -3.632 -7.147 8.899 401 H CYS 50 H CYS 50 -3.522 -7.969 5.919 402 HA CYS 50 HA CYS 50 -2.218 -7.261 3.479 403 HB2 CYS 50 HB2 CYS 50 -2.469 -9.662 3.291 404 HB3 CYS 50 HB3 CYS 50 -4.169 -9.548 3.726 405 HG CYS 50 HG CYS 50 -4.570 -9.937 1.161 406 H MET 51 H MET 51 -3.525 -6.214 2.021 407 HA MET 51 HA MET 51 -6.139 -5.325 2.828 408 HB2 MET 51 HB2 MET 51 -4.654 -3.770 3.940 409 HB3 MET 51 HB3 MET 51 -3.880 -3.441 2.416 410 HG2 MET 51 HG2 MET 51 -5.846 -2.374 1.560 411 HG3 MET 51 HG3 MET 51 -6.755 -2.824 3.005 412 HE1 MET 51 HE1 MET 51 -3.583 0.498 2.672 413 HE2 MET 51 HE2 MET 51 -4.528 -0.143 1.328 414 HE3 MET 51 HE3 MET 51 -3.303 -1.148 2.101 415 H VAL 52 H VAL 52 -7.423 -4.949 1.244 416 HA VAL 52 HA VAL 52 -6.465 -4.486 -1.474 417 HB VAL 52 HB VAL 52 -8.821 -6.117 -0.689 418 HG11 VAL 52 HG11 VAL 52 -8.919 -6.690 -3.146 419 HG12 VAL 52 HG12 VAL 52 -7.821 -5.331 -3.401 420 HG13 VAL 52 HG13 VAL 52 -9.423 -5.052 -2.721 421 HG21 VAL 52 HG21 VAL 52 -7.650 -8.025 -1.505 422 HG22 VAL 52 HG22 VAL 52 -6.602 -7.169 -0.369 423 HG23 VAL 52 HG23 VAL 52 -6.349 -6.996 -2.104 424 H MET 53 H MET 53 -7.129 -2.708 -2.268 425 HA MET 53 HA MET 53 -8.759 -0.882 -0.800 426 HB2 MET 53 HB2 MET 53 -6.888 -0.739 -3.019 427 HB3 MET 53 HB3 MET 53 -8.270 0.322 -3.246 428 HG2 MET 53 HG2 MET 53 -6.450 0.269 -0.846 429 HG3 MET 53 HG3 MET 53 -6.438 1.472 -2.130 430 HE1 MET 53 HE1 MET 53 -6.449 3.150 -0.044 431 HE2 MET 53 HE2 MET 53 -6.809 1.944 1.191 432 HE3 MET 53 HE3 MET 53 -7.827 3.374 1.033 433 H ARG 54 H ARG 54 -10.790 -0.509 -0.922 434 HA ARG 54 HA ARG 54 -12.306 -1.026 -3.376 435 HB2 ARG 54 HB2 ARG 54 -12.701 -2.224 -0.684 436 HB3 ARG 54 HB3 ARG 54 -14.147 -1.758 -1.570 437 HG2 ARG 54 HG2 ARG 54 -13.484 -3.182 -3.427 438 HG3 ARG 54 HG3 ARG 54 -12.001 -3.617 -2.573 439 HD2 ARG 54 HD2 ARG 54 -13.344 -4.597 -0.768 440 HD3 ARG 54 HD3 ARG 54 -14.816 -4.181 -1.645 441 HE ARG 54 HE ARG 54 -13.192 -5.717 -3.328 442 HH11 ARG 54 HH11 ARG 54 -15.355 -7.823 -0.677 443 HH12 ARG 54 HH12 ARG 54 -15.058 -6.142 -0.382 444 HH21 ARG 54 HH21 ARG 54 -13.591 -7.919 -3.691 445 HH22 ARG 54 HH22 ARG 54 -14.525 -8.827 -2.548 446 H ASP 55 H ASP 55 -14.384 0.162 -3.424 447 HA ASP 55 HA ASP 55 -14.219 2.646 -1.993 448 HB2 ASP 55 HB2 ASP 55 -15.078 1.875 -4.660 449 HB3 ASP 55 HB3 ASP 55 -16.006 3.140 -3.906 450 HA PRO 56 HA PRO 56 -17.862 1.101 0.269 451 HB2 PRO 56 HB2 PRO 56 -17.958 3.859 1.325 452 HB3 PRO 56 HB3 PRO 56 -17.848 2.327 2.200 453 HG2 PRO 56 HG2 PRO 56 -15.756 3.974 2.046 454 HG3 PRO 56 HG3 PRO 56 -15.556 2.211 2.016 455 HD2 PRO 56 HD2 PRO 56 -15.434 4.158 -0.247 456 HD3 PRO 56 HD3 PRO 56 -14.448 2.712 0.059 457 H THR 57 H THR 57 -17.697 3.597 -2.047 458 HA THR 57 HA THR 57 -20.424 4.454 -1.865 459 HB THR 57 HB THR 57 -19.879 5.660 -4.042 460 HG1 THR 57 HG1 THR 57 -17.188 5.499 -3.516 461 HG21 THR 57 HG21 THR 57 -19.879 6.811 -1.900 462 HG22 THR 57 HG22 THR 57 -18.539 7.382 -2.893 463 HG23 THR 57 HG23 THR 57 -18.240 6.250 -1.575 464 H THR 58 H THR 58 -18.503 2.495 -4.103 465 HA THR 58 HA THR 58 -21.000 1.526 -5.337 466 HB THR 58 HB THR 58 -19.683 1.049 -7.378 467 HG1 THR 58 HG1 THR 58 -17.610 0.981 -6.198 468 HG21 THR 58 HG21 THR 58 -19.340 3.419 -8.062 469 HG22 THR 58 HG22 THR 58 -19.588 3.894 -6.380 470 HG23 THR 58 HG23 THR 58 -20.898 3.133 -7.284 471 H LYS 59 H LYS 59 -18.416 0.617 -3.407 472 HA LYS 59 HA LYS 59 -17.618 -1.321 -2.547 473 HB2 LYS 59 HB2 LYS 59 -19.853 -2.886 -3.782 474 HB3 LYS 59 HB3 LYS 59 -19.082 -3.105 -2.222 475 HG2 LYS 59 HG2 LYS 59 -20.622 -0.619 -2.721 476 HG3 LYS 59 HG3 LYS 59 -21.511 -2.116 -2.430 477 HD2 LYS 59 HD2 LYS 59 -20.361 -2.397 -0.295 478 HD3 LYS 59 HD3 LYS 59 -19.417 -0.936 -0.597 479 HE2 LYS 59 HE2 LYS 59 -21.451 0.399 -0.591 480 HE3 LYS 59 HE3 LYS 59 -22.422 -1.054 -0.353 481 HZ1 LYS 59 HZ1 LYS 59 -21.363 -1.383 1.783 482 HZ2 LYS 59 HZ2 LYS 59 -22.064 0.155 1.717 483 HZ3 LYS 59 HZ3 LYS 59 -20.391 -0.018 1.551 484 H ARG 60 H ARG 60 -17.342 -0.575 -5.536 485 HA ARG 60 HA ARG 60 -16.488 -3.123 -6.686 486 HB2 ARG 60 HB2 ARG 60 -16.679 -0.333 -7.823 487 HB3 ARG 60 HB3 ARG 60 -15.991 -1.684 -8.714 488 HG2 ARG 60 HG2 ARG 60 -18.128 -2.876 -8.540 489 HG3 ARG 60 HG3 ARG 60 -18.814 -1.500 -7.677 490 HD2 ARG 60 HD2 ARG 60 -19.512 -1.230 -9.900 491 HD3 ARG 60 HD3 ARG 60 -18.166 -0.108 -9.707 492 HE ARG 60 HE ARG 60 -17.195 -2.561 -10.681 493 HH11 ARG 60 HH11 ARG 60 -18.646 -0.036 -13.447 494 HH12 ARG 60 HH12 ARG 60 -19.101 0.173 -11.788 495 HH21 ARG 60 HH21 ARG 60 -16.617 -2.817 -12.858 496 HH22 ARG 60 HH22 ARG 60 -17.242 -1.728 -14.051 497 H SER 61 H SER 61 -14.412 -3.649 -7.238 498 HA SER 61 HA SER 61 -12.289 -2.164 -5.875 499 HB2 SER 61 HB2 SER 61 -12.222 -4.893 -7.193 500 HB3 SER 61 HB3 SER 61 -10.937 -4.182 -6.217 501 HG SER 61 HG SER 61 -12.170 -5.562 -4.942 502 H ARG 62 H ARG 62 -10.275 -1.691 -6.939 503 HA ARG 62 HA ARG 62 -10.646 -1.016 -9.761 504 HB2 ARG 62 HB2 ARG 62 -8.817 0.029 -7.625 505 HB3 ARG 62 HB3 ARG 62 -8.492 0.344 -9.323 506 HG2 ARG 62 HG2 ARG 62 -10.785 1.331 -9.493 507 HG3 ARG 62 HG3 ARG 62 -10.912 1.174 -7.741 508 HD2 ARG 62 HD2 ARG 62 -8.985 2.618 -7.445 509 HD3 ARG 62 HD3 ARG 62 -8.769 2.723 -9.192 510 HE ARG 62 HE ARG 62 -11.354 3.597 -8.271 511 HH11 ARG 62 HH11 ARG 62 -8.495 6.292 -9.112 512 HH12 ARG 62 HH12 ARG 62 -8.059 4.627 -8.920 513 HH21 ARG 62 HH21 ARG 62 -11.901 5.783 -8.523 514 HH22 ARG 62 HH22 ARG 62 -10.669 6.945 -8.887 515 H GLY 63 H GLY 63 -9.147 -3.376 -7.913 516 HA2 GLY 63 HA2 GLY 63 -8.070 -5.259 -8.813 517 HA3 GLY 63 HA3 GLY 63 -7.656 -4.319 -10.234 518 H PHE 64 H PHE 64 -7.020 -3.391 -6.863 519 HA PHE 64 HA PHE 64 -4.260 -4.192 -7.013 520 HB2 PHE 64 HB2 PHE 64 -3.243 -2.037 -6.746 521 HB3 PHE 64 HB3 PHE 64 -4.197 -2.051 -8.216 522 HD1 PHE 64 HD1 PHE 64 -5.813 -0.441 -8.584 523 HD2 PHE 64 HD2 PHE 64 -4.231 -0.979 -4.696 524 HE1 PHE 64 HE1 PHE 64 -6.935 1.635 -7.861 525 HE2 PHE 64 HE2 PHE 64 -5.332 1.101 -3.945 526 HZ PHE 64 HZ PHE 64 -6.694 2.409 -5.531 527 H GLY 65 H GLY 65 -3.113 -4.086 -5.008 528 HA2 GLY 65 HA2 GLY 65 -4.459 -3.203 -2.674 529 HA3 GLY 65 HA3 GLY 65 -4.346 -4.951 -2.813 530 H PHE 66 H PHE 66 -3.114 -4.488 -0.811 531 HA PHE 66 HA PHE 66 -0.307 -4.287 -1.283 532 HB2 PHE 66 HB2 PHE 66 -1.929 -3.043 0.873 533 HB3 PHE 66 HB3 PHE 66 -0.203 -3.133 0.900 534 HD1 PHE 66 HD1 PHE 66 -3.096 -1.691 -0.828 535 HD2 PHE 66 HD2 PHE 66 1.129 -1.568 -0.321 536 HE1 PHE 66 HE1 PHE 66 -3.017 0.437 -2.056 537 HE2 PHE 66 HE2 PHE 66 1.216 0.561 -1.548 538 HZ PHE 66 HZ PHE 66 -0.868 1.564 -2.420 539 H VAL 67 H VAL 67 0.908 -5.314 0.410 540 HA VAL 67 HA VAL 67 -0.414 -7.113 2.247 541 HB VAL 67 HB VAL 67 1.469 -8.181 0.106 542 HG11 VAL 67 HG11 VAL 67 0.776 -10.408 1.447 543 HG12 VAL 67 HG12 VAL 67 0.802 -9.253 2.782 544 HG13 VAL 67 HG13 VAL 67 2.242 -9.491 1.791 545 HG21 VAL 67 HG21 VAL 67 -1.357 -8.989 0.790 546 HG22 VAL 67 HG22 VAL 67 -0.335 -9.741 -0.437 547 HG23 VAL 67 HG23 VAL 67 -0.860 -8.066 -0.628 548 H THR 68 H THR 68 0.611 -7.304 3.987 549 HA THR 68 HA THR 68 3.161 -5.941 4.238 550 HB THR 68 HB THR 68 1.394 -6.565 6.505 551 HG1 THR 68 HG1 THR 68 0.379 -5.402 4.550 552 HG21 THR 68 HG21 THR 68 3.850 -5.233 6.126 553 HG22 THR 68 HG22 THR 68 2.917 -5.360 7.626 554 HG23 THR 68 HG23 THR 68 2.656 -3.995 6.548 555 H PHE 69 H PHE 69 4.696 -7.323 4.074 556 HA PHE 69 HA PHE 69 4.565 -9.958 5.128 557 HB2 PHE 69 HB2 PHE 69 6.511 -8.389 3.539 558 HB3 PHE 69 HB3 PHE 69 7.067 -9.831 4.369 559 HD1 PHE 69 HD1 PHE 69 5.168 -8.519 1.620 560 HD2 PHE 69 HD2 PHE 69 6.019 -12.030 3.865 561 HE1 PHE 69 HE1 PHE 69 4.233 -9.904 -0.190 562 HE2 PHE 69 HE2 PHE 69 5.091 -13.419 2.066 563 HZ PHE 69 HZ PHE 69 4.209 -12.365 0.041 564 H ALA 70 H ALA 70 5.121 -10.588 7.114 565 HA ALA 70 HA ALA 70 6.277 -8.783 8.955 566 HB1 ALA 70 HB1 ALA 70 5.660 -11.665 9.460 567 HB2 ALA 70 HB2 ALA 70 4.452 -10.385 9.533 568 HB3 ALA 70 HB3 ALA 70 5.810 -10.382 10.658 569 H ASP 71 H ASP 71 7.742 -10.425 6.756 570 HA ASP 71 HA ASP 71 10.180 -10.776 8.269 571 HB2 ASP 71 HB2 ASP 71 8.968 -12.877 7.455 572 HB3 ASP 71 HB3 ASP 71 9.528 -12.428 5.875 573 HA PRO 72 HA PRO 72 11.795 -8.073 5.043 574 HB2 PRO 72 HB2 PRO 72 14.436 -8.688 5.983 575 HB3 PRO 72 HB3 PRO 72 13.568 -7.179 6.055 576 HG2 PRO 72 HG2 PRO 72 14.155 -8.607 8.269 577 HG3 PRO 72 HG3 PRO 72 12.722 -7.569 8.140 578 HD2 PRO 72 HD2 PRO 72 12.932 -10.536 7.872 579 HD3 PRO 72 HD3 PRO 72 11.672 -9.549 8.644 580 H ALA 73 H ALA 73 12.563 -11.305 5.654 581 HA ALA 73 HA ALA 73 14.360 -11.688 3.465 582 HB1 ALA 73 HB1 ALA 73 14.247 -14.071 4.013 583 HB2 ALA 73 HB2 ALA 73 12.964 -13.722 5.173 584 HB3 ALA 73 HB3 ALA 73 14.586 -13.079 5.432 585 H SER 74 H SER 74 10.980 -11.945 3.983 586 HA SER 74 HA SER 74 10.367 -13.506 1.672 587 HB2 SER 74 HB2 SER 74 8.915 -13.167 3.773 588 HB3 SER 74 HB3 SER 74 8.403 -11.667 2.996 589 HG SER 74 HG SER 74 6.987 -13.279 2.397 590 H VAL 75 H VAL 75 10.737 -10.145 2.314 591 HA VAL 75 HA VAL 75 9.621 -9.154 -0.085 592 HB VAL 75 HB VAL 75 11.744 -7.750 1.532 593 HG11 VAL 75 HG11 VAL 75 11.198 -6.554 -0.470 594 HG12 VAL 75 HG12 VAL 75 10.449 -5.700 0.881 595 HG13 VAL 75 HG13 VAL 75 9.469 -6.724 -0.169 596 HG21 VAL 75 HG21 VAL 75 10.055 -8.545 3.108 597 HG22 VAL 75 HG22 VAL 75 8.787 -7.786 2.145 598 HG23 VAL 75 HG23 VAL 75 9.997 -6.789 2.951 599 H ASP 76 H ASP 76 12.697 -10.301 0.904 600 HA ASP 76 HA ASP 76 14.232 -9.497 -1.320 601 HB2 ASP 76 HB2 ASP 76 14.879 -10.346 1.090 602 HB3 ASP 76 HB3 ASP 76 14.899 -11.903 0.295 603 H LYS 77 H LYS 77 12.533 -12.360 -0.394 604 HA LYS 77 HA LYS 77 13.178 -14.023 -2.541 605 HB2 LYS 77 HB2 LYS 77 10.852 -14.081 -0.640 606 HB3 LYS 77 HB3 LYS 77 11.131 -15.330 -1.844 607 HG2 LYS 77 HG2 LYS 77 13.460 -15.542 -0.758 608 HG3 LYS 77 HG3 LYS 77 12.733 -14.673 0.593 609 HD2 LYS 77 HD2 LYS 77 11.007 -16.381 0.788 610 HD3 LYS 77 HD3 LYS 77 11.680 -17.238 -0.600 611 HE2 LYS 77 HE2 LYS 77 13.779 -17.559 0.641 612 HE3 LYS 77 HE3 LYS 77 13.066 -16.746 2.034 613 HZ1 LYS 77 HZ1 LYS 77 11.383 -18.490 2.131 614 HZ2 LYS 77 HZ2 LYS 77 12.940 -19.136 2.272 615 HZ3 LYS 77 HZ3 LYS 77 12.098 -19.275 0.812 616 H VAL 78 H VAL 78 10.477 -11.859 -2.028 617 HA VAL 78 HA VAL 78 9.148 -12.548 -4.461 618 HB VAL 78 HB VAL 78 8.645 -10.191 -2.622 619 HG11 VAL 78 HG11 VAL 78 7.763 -9.833 -4.914 620 HG12 VAL 78 HG12 VAL 78 6.490 -9.962 -3.701 621 HG13 VAL 78 HG13 VAL 78 6.838 -11.326 -4.762 622 HG21 VAL 78 HG21 VAL 78 7.270 -12.873 -2.828 623 HG22 VAL 78 HG22 VAL 78 6.750 -11.534 -1.804 624 HG23 VAL 78 HG23 VAL 78 8.298 -12.324 -1.503 625 H LEU 79 H LEU 79 11.462 -10.066 -3.494 626 HA LEU 79 HA LEU 79 11.242 -8.320 -5.656 627 HB2 LEU 79 HB2 LEU 79 12.515 -8.418 -3.304 628 HB3 LEU 79 HB3 LEU 79 13.841 -8.842 -4.350 629 HG LEU 79 HG LEU 79 13.723 -6.473 -3.695 630 HD11 LEU 79 HD11 LEU 79 13.539 -7.024 -6.646 631 HD12 LEU 79 HD12 LEU 79 14.992 -7.073 -5.649 632 HD13 LEU 79 HD13 LEU 79 14.170 -5.539 -5.936 633 HD21 LEU 79 HD21 LEU 79 12.080 -4.989 -4.334 634 HD22 LEU 79 HD22 LEU 79 11.143 -6.437 -3.958 635 HD23 LEU 79 HD23 LEU 79 11.503 -6.029 -5.635 636 H GLY 80 H GLY 80 13.076 -11.302 -5.192 637 HA2 GLY 80 HA2 GLY 80 14.618 -11.087 -7.555 638 HA3 GLY 80 HA3 GLY 80 14.454 -12.518 -6.569 639 H GLN 81 H GLN 81 11.446 -12.199 -6.908 640 HA GLN 81 HA GLN 81 11.238 -13.589 -9.445 641 HB2 GLN 81 HB2 GLN 81 9.512 -13.390 -6.990 642 HB3 GLN 81 HB3 GLN 81 8.944 -14.122 -8.470 643 HG2 GLN 81 HG2 GLN 81 11.525 -15.054 -7.376 644 HG3 GLN 81 HG3 GLN 81 10.056 -15.546 -6.542 645 HE21 GLN 81 HE21 GLN 81 8.589 -16.899 -7.586 646 HE22 GLN 81 HE22 GLN 81 9.017 -17.807 -8.993 647 HA PRO 82 HA PRO 82 9.517 -9.534 -10.773 648 HB2 PRO 82 HB2 PRO 82 10.150 -10.330 -13.487 649 HB3 PRO 82 HB3 PRO 82 10.858 -9.028 -12.526 650 HG2 PRO 82 HG2 PRO 82 12.241 -11.251 -13.246 651 HG3 PRO 82 HG3 PRO 82 12.582 -10.319 -11.775 652 HD2 PRO 82 HD2 PRO 82 11.062 -12.878 -12.077 653 HD3 PRO 82 HD3 PRO 82 12.229 -12.390 -10.828 654 H HIS 83 H HIS 83 8.901 -12.685 -12.302 655 HA HIS 83 HA HIS 83 6.432 -11.738 -13.508 656 HB2 HIS 83 HB2 HIS 83 8.177 -13.423 -14.483 657 HB3 HIS 83 HB3 HIS 83 7.315 -14.599 -13.501 658 HD1 HIS 83 HD1 HIS 83 6.606 -12.079 -16.251 659 HD2 HIS 83 HD2 HIS 83 5.084 -15.622 -14.703 660 HE1 HIS 83 HE1 HIS 83 4.746 -12.746 -17.804 661 HE2 HIS 83 HE2 HIS 83 3.838 -14.893 -16.850 662 H HIS 84 H HIS 84 4.508 -11.868 -12.587 663 HA HIS 84 HA HIS 84 3.935 -13.894 -10.549 664 HB2 HIS 84 HB2 HIS 84 4.391 -11.317 -9.859 665 HB3 HIS 84 HB3 HIS 84 2.672 -11.228 -10.222 666 HD1 HIS 84 HD1 HIS 84 5.072 -12.460 -7.695 667 HD2 HIS 84 HD2 HIS 84 1.020 -12.841 -8.537 668 HE1 HIS 84 HE1 HIS 84 4.043 -13.439 -5.620 669 HE2 HIS 84 HE2 HIS 84 1.590 -13.662 -6.151 670 H GLU 85 H GLU 85 2.242 -15.024 -11.224 671 HA GLU 85 HA GLU 85 0.336 -13.817 -12.997 672 HB2 GLU 85 HB2 GLU 85 1.912 -15.848 -13.690 673 HB3 GLU 85 HB3 GLU 85 0.637 -16.770 -12.909 674 HG2 GLU 85 HG2 GLU 85 -1.008 -15.829 -14.417 675 HG3 GLU 85 HG3 GLU 85 0.231 -14.824 -15.168 676 H LEU 86 H LEU 86 -1.664 -13.880 -12.517 677 HA LEU 86 HA LEU 86 -2.830 -15.576 -10.512 678 HB2 LEU 86 HB2 LEU 86 -2.277 -13.642 -9.216 679 HB3 LEU 86 HB3 LEU 86 -2.760 -12.571 -10.503 680 HG LEU 86 HG LEU 86 -5.108 -13.584 -10.116 681 HD11 LEU 86 HD11 LEU 86 -4.535 -15.286 -8.517 682 HD12 LEU 86 HD12 LEU 86 -5.519 -14.064 -7.711 683 HD13 LEU 86 HD13 LEU 86 -3.773 -14.095 -7.462 684 HD21 LEU 86 HD21 LEU 86 -3.758 -11.518 -8.407 685 HD22 LEU 86 HD22 LEU 86 -5.494 -11.820 -8.337 686 HD23 LEU 86 HD23 LEU 86 -4.756 -11.276 -9.842 687 H ASP 87 H ASP 87 -4.797 -16.124 -11.115 688 HA ASP 87 HA ASP 87 -6.549 -16.657 -12.446 689 HB2 ASP 87 HB2 ASP 87 -7.072 -14.474 -11.378 690 HB3 ASP 87 HB3 ASP 87 -6.658 -13.712 -12.886 691 H SER 88 H SER 88 -4.110 -16.747 -13.625 692 HA SER 88 HA SER 88 -3.098 -17.266 -15.598 693 HB2 SER 88 HB2 SER 88 -5.831 -16.769 -16.807 694 HB3 SER 88 HB3 SER 88 -4.451 -17.408 -17.699 695 HG SER 88 HG SER 88 -4.662 -19.276 -16.715 696 H LYS 89 H LYS 89 -3.734 -14.323 -14.627 697 HA LYS 89 HA LYS 89 -2.535 -13.076 -16.968 698 HB2 LYS 89 HB2 LYS 89 -3.645 -10.905 -16.002 699 HB3 LYS 89 HB3 LYS 89 -4.529 -11.963 -17.075 700 HG2 LYS 89 HG2 LYS 89 -5.612 -12.983 -15.071 701 HG3 LYS 89 HG3 LYS 89 -4.793 -11.775 -14.076 702 HD2 LYS 89 HD2 LYS 89 -5.910 -9.991 -15.329 703 HD3 LYS 89 HD3 LYS 89 -6.725 -11.199 -16.324 704 HE2 LYS 89 HE2 LYS 89 -7.817 -12.093 -14.310 705 HE3 LYS 89 HE3 LYS 89 -7.028 -10.846 -13.343 706 HZ1 LYS 89 HZ1 LYS 89 -9.294 -10.230 -13.901 707 HZ2 LYS 89 HZ2 LYS 89 -8.955 -10.360 -15.552 708 HZ3 LYS 89 HZ3 LYS 89 -8.199 -9.164 -14.626 709 H THR 90 H THR 90 -1.196 -11.420 -16.593 710 HA THR 90 HA THR 90 0.588 -11.789 -14.360 711 HB THR 90 HB THR 90 0.930 -9.693 -16.495 712 HG1 THR 90 HG1 THR 90 2.130 -11.559 -17.552 713 HG21 THR 90 HG21 THR 90 2.942 -11.437 -15.057 714 HG22 THR 90 HG22 THR 90 2.563 -9.769 -14.628 715 HG23 THR 90 HG23 THR 90 3.303 -10.131 -16.188 716 H ILE 91 H ILE 91 0.667 -10.602 -12.559 717 HA ILE 91 HA ILE 91 -0.686 -7.987 -12.505 718 HB ILE 91 HB ILE 91 -1.163 -8.321 -10.141 719 HG12 ILE 91 HG12 ILE 91 -0.234 -11.138 -10.376 720 HG13 ILE 91 HG13 ILE 91 0.766 -9.894 -9.657 721 HG21 ILE 91 HG21 ILE 91 -2.845 -8.956 -11.708 722 HG22 ILE 91 HG22 ILE 91 -2.833 -10.143 -10.404 723 HG23 ILE 91 HG23 ILE 91 -2.083 -10.528 -11.953 724 HD11 ILE 91 HD11 ILE 91 -0.384 -9.951 -7.732 725 HD12 ILE 91 HD12 ILE 91 -0.994 -11.499 -8.310 726 HD13 ILE 91 HD13 ILE 91 -1.949 -10.027 -8.558 727 H ASP 92 H ASP 92 0.298 -6.442 -10.708 728 HA ASP 92 HA ASP 92 3.210 -6.663 -11.105 729 HB2 ASP 92 HB2 ASP 92 1.849 -4.872 -12.328 730 HB3 ASP 92 HB3 ASP 92 1.741 -4.074 -10.766 731 HA PRO 93 HA PRO 93 3.084 -6.317 -6.522 732 HB2 PRO 93 HB2 PRO 93 5.211 -8.241 -6.362 733 HB3 PRO 93 HB3 PRO 93 3.531 -8.450 -5.860 734 HG2 PRO 93 HG2 PRO 93 4.687 -9.803 -7.953 735 HG3 PRO 93 HG3 PRO 93 2.945 -9.514 -7.782 736 HD2 PRO 93 HD2 PRO 93 4.942 -8.061 -9.469 737 HD3 PRO 93 HD3 PRO 93 3.265 -8.518 -9.839 738 H LYS 94 H LYS 94 4.171 -4.617 -5.717 739 HA LYS 94 HA LYS 94 7.046 -4.387 -6.211 740 HB2 LYS 94 HB2 LYS 94 6.771 -1.912 -6.715 741 HB3 LYS 94 HB3 LYS 94 6.297 -3.028 -7.983 742 HG2 LYS 94 HG2 LYS 94 3.911 -2.717 -6.864 743 HG3 LYS 94 HG3 LYS 94 4.630 -1.189 -6.351 744 HD2 LYS 94 HD2 LYS 94 5.204 -0.693 -8.688 745 HD3 LYS 94 HD3 LYS 94 4.451 -2.209 -9.184 746 HE2 LYS 94 HE2 LYS 94 2.307 -1.413 -8.266 747 HE3 LYS 94 HE3 LYS 94 3.073 0.119 -7.849 748 HZ1 LYS 94 HZ1 LYS 94 3.555 0.451 -10.212 749 HZ2 LYS 94 HZ2 LYS 94 1.894 0.314 -9.925 750 HZ3 LYS 94 HZ3 LYS 94 2.746 -0.988 -10.586 751 H VAL 95 H VAL 95 8.231 -3.426 -4.641 752 HA VAL 95 HA VAL 95 6.962 -3.073 -2.066 753 HB VAL 95 HB VAL 95 9.854 -2.694 -2.546 754 HG11 VAL 95 HG11 VAL 95 8.300 -3.749 -0.201 755 HG12 VAL 95 HG12 VAL 95 9.084 -2.174 -0.324 756 HG13 VAL 95 HG13 VAL 95 10.058 -3.643 -0.277 757 HG21 VAL 95 HG21 VAL 95 9.148 -4.821 -3.660 758 HG22 VAL 95 HG22 VAL 95 8.642 -5.398 -2.073 759 HG23 VAL 95 HG23 VAL 95 10.334 -5.015 -2.372 760 H ALA 96 H ALA 96 6.720 -1.227 -0.946 761 HA ALA 96 HA ALA 96 6.434 0.968 -0.475 762 HB1 ALA 96 HB1 ALA 96 8.410 2.249 -0.269 763 HB2 ALA 96 HB2 ALA 96 9.220 1.331 -1.541 764 HB3 ALA 96 HB3 ALA 96 8.850 0.562 0.004 765 H PHE 97 H PHE 97 6.406 3.244 -1.172 766 HA PHE 97 HA PHE 97 5.608 3.477 -3.974 767 HB2 PHE 97 HB2 PHE 97 4.689 4.583 -1.457 768 HB3 PHE 97 HB3 PHE 97 4.974 5.850 -2.646 769 HD1 PHE 97 HD1 PHE 97 3.120 2.759 -1.951 770 HD2 PHE 97 HD2 PHE 97 3.539 6.132 -4.505 771 HE1 PHE 97 HE1 PHE 97 0.974 2.218 -3.026 772 HE2 PHE 97 HE2 PHE 97 1.391 5.599 -5.579 773 HZ PHE 97 HZ PHE 97 0.103 3.635 -4.837 774 HA PRO 98 HA PRO 98 9.395 5.959 -4.545 775 HB2 PRO 98 HB2 PRO 98 8.701 6.192 -7.349 776 HB3 PRO 98 HB3 PRO 98 10.013 5.262 -6.616 777 HG2 PRO 98 HG2 PRO 98 7.891 4.091 -7.832 778 HG3 PRO 98 HG3 PRO 98 8.781 3.340 -6.493 779 HD2 PRO 98 HD2 PRO 98 6.177 4.816 -6.425 780 HD3 PRO 98 HD3 PRO 98 6.647 3.306 -5.613 781 H ARG 99 H ARG 99 9.907 8.133 -5.079 782 HA ARG 99 HA ARG 99 7.605 9.938 -5.027 783 HB2 ARG 99 HB2 ARG 99 10.551 10.368 -4.519 784 HB3 ARG 99 HB3 ARG 99 9.399 11.693 -4.602 785 HG2 ARG 99 HG2 ARG 99 8.130 10.617 -2.745 786 HG3 ARG 99 HG3 ARG 99 9.433 9.434 -2.611 787 HD2 ARG 99 HD2 ARG 99 9.928 11.050 -0.986 788 HD3 ARG 99 HD3 ARG 99 10.990 11.437 -2.339 789 HE ARG 99 HE ARG 99 8.512 12.875 -2.417 790 HH11 ARG 99 HH11 ARG 99 11.740 12.914 -1.028 791 HH12 ARG 99 HH12 ARG 99 11.737 14.630 -0.785 792 HH21 ARG 99 HH21 ARG 99 9.922 15.874 -1.387 793 HH22 ARG 99 HH22 ARG 99 8.533 15.115 -2.090 794 H ARG 100 H ARG 100 6.865 10.843 -6.824 795 HA ARG 100 HA ARG 100 8.674 11.767 -8.910 796 HB2 ARG 100 HB2 ARG 100 6.745 9.518 -9.268 797 HB3 ARG 100 HB3 ARG 100 6.910 10.671 -10.585 798 HG2 ARG 100 HG2 ARG 100 9.384 9.501 -9.416 799 HG3 ARG 100 HG3 ARG 100 8.388 8.494 -10.470 800 HD2 ARG 100 HD2 ARG 100 8.582 10.080 -12.264 801 HD3 ARG 100 HD3 ARG 100 9.396 11.238 -11.213 802 HE ARG 100 HE ARG 100 10.930 8.929 -11.203 803 HH11 ARG 100 HH11 ARG 100 11.346 11.113 -14.549 804 HH12 ARG 100 HH12 ARG 100 9.932 11.320 -13.572 805 HH21 ARG 100 HH21 ARG 100 12.782 8.680 -12.495 806 HH22 ARG 100 HH22 ARG 100 12.958 9.620 -13.938 807 H ALA 101 H ALA 101 7.967 13.566 -9.918 808 HA ALA 101 HA ALA 101 5.654 14.887 -8.909 809 HB1 ALA 101 HB1 ALA 101 6.720 16.765 -9.495 810 HB2 ALA 101 HB2 ALA 101 6.971 16.197 -11.144 811 HB3 ALA 101 HB3 ALA 101 8.092 15.720 -9.869 812 H GLN 102 H GLN 102 4.298 16.206 -10.575 813 HA GLN 102 HA GLN 102 3.363 14.354 -12.671 814 HB2 GLN 102 HB2 GLN 102 1.850 16.224 -10.868 815 HB3 GLN 102 HB3 GLN 102 1.156 15.665 -12.383 816 HG2 GLN 102 HG2 GLN 102 1.477 13.330 -11.602 817 HG3 GLN 102 HG3 GLN 102 2.003 13.971 -10.047 818 HE21 GLN 102 HE21 GLN 102 0.503 14.973 -8.700 819 HE22 GLN 102 HE22 GLN 102 -1.200 14.779 -8.918 820 HA PRO 103 HA PRO 103 4.442 17.800 -15.391 821 HB2 PRO 103 HB2 PRO 103 4.086 16.561 -17.754 822 HB3 PRO 103 HB3 PRO 103 5.464 16.196 -16.706 823 HG2 PRO 103 HG2 PRO 103 2.960 14.641 -17.129 824 HG3 PRO 103 HG3 PRO 103 4.620 14.062 -16.892 825 HD2 PRO 103 HD2 PRO 103 2.683 14.141 -14.917 826 HD3 PRO 103 HD3 PRO 103 4.432 14.082 -14.631 827 H LYS 104 H LYS 104 3.378 18.719 -17.538 828 HA LYS 104 HA LYS 104 0.648 19.418 -16.874 829 HB2 LYS 104 HB2 LYS 104 2.579 20.346 -18.992 830 HB3 LYS 104 HB3 LYS 104 0.900 20.866 -18.978 831 HG2 LYS 104 HG2 LYS 104 1.221 21.816 -16.742 832 HG3 LYS 104 HG3 LYS 104 2.912 21.314 -16.781 833 HD2 LYS 104 HD2 LYS 104 3.288 22.734 -18.739 834 HD3 LYS 104 HD3 LYS 104 1.594 23.230 -18.707 835 HE2 LYS 104 HE2 LYS 104 1.937 24.193 -16.473 836 HE3 LYS 104 HE3 LYS 104 3.635 23.724 -16.541 837 HZ1 LYS 104 HZ1 LYS 104 3.881 25.155 -18.500 838 HZ2 LYS 104 HZ2 LYS 104 3.390 26.028 -17.137 839 HZ3 LYS 104 HZ3 LYS 104 2.270 25.648 -18.345 840 H MET 105 H MET 105 -1.184 19.000 -18.061 841 HA MET 105 HA MET 105 -1.056 16.703 -19.856 842 HB2 MET 105 HB2 MET 105 -3.338 18.103 -18.464 843 HB3 MET 105 HB3 MET 105 -3.590 16.827 -19.647 844 HG2 MET 105 HG2 MET 105 -2.013 16.534 -17.102 845 HG3 MET 105 HG3 MET 105 -3.689 16.031 -17.322 846 HE1 MET 105 HE1 MET 105 -1.879 12.584 -17.195 847 HE2 MET 105 HE2 MET 105 -3.225 13.547 -16.585 848 HE3 MET 105 HE3 MET 105 -1.566 14.022 -16.223 849 H VAL 106 H VAL 106 -1.364 16.773 -21.986 850 HA VAL 106 HA VAL 106 -2.050 19.334 -23.231 851 HB VAL 106 HB VAL 106 -1.009 16.941 -24.730 852 HG11 VAL 106 HG11 VAL 106 -0.041 18.686 -26.213 853 HG12 VAL 106 HG12 VAL 106 -0.829 19.913 -25.220 854 HG13 VAL 106 HG13 VAL 106 -1.801 18.746 -26.116 855 HG21 VAL 106 HG21 VAL 106 1.288 17.767 -24.453 856 HG22 VAL 106 HG22 VAL 106 0.579 17.268 -22.917 857 HG23 VAL 106 HG23 VAL 106 0.704 18.981 -23.314 858 H THR 107 H THR 107 -3.423 19.202 -25.224 859 HA THR 107 HA THR 107 -5.692 17.499 -24.748 860 HB THR 107 HB THR 107 -5.618 19.706 -26.788 861 HG1 THR 107 HG1 THR 107 -6.605 20.349 -24.283 862 HG21 THR 107 HG21 THR 107 -8.009 19.892 -26.256 863 HG22 THR 107 HG22 THR 107 -7.845 18.612 -25.055 864 HG23 THR 107 HG23 THR 107 -7.602 18.254 -26.765 865 H ARG 108 H ARG 108 -5.112 15.542 -25.589 866 HA ARG 108 HA ARG 108 -4.313 15.390 -28.410 867 HB2 ARG 108 HB2 ARG 108 -4.061 13.527 -26.080 868 HB3 ARG 108 HB3 ARG 108 -4.031 12.880 -27.714 869 HG2 ARG 108 HG2 ARG 108 -2.157 14.438 -28.224 870 HG3 ARG 108 HG3 ARG 108 -2.139 14.889 -26.518 871 HD2 ARG 108 HD2 ARG 108 -1.571 12.673 -25.858 872 HD3 ARG 108 HD3 ARG 108 -1.853 12.053 -27.484 873 HE ARG 108 HE ARG 108 0.252 14.046 -27.131 874 HH11 ARG 108 HH11 ARG 108 -0.583 10.678 -27.667 875 HH12 ARG 108 HH12 ARG 108 1.007 10.248 -28.201 876 HH21 ARG 108 HH21 ARG 108 2.654 11.823 -28.296 877 HH22 ARG 108 HH22 ARG 108 2.329 13.461 -27.834 878 H THR 109 H THR 109 -5.587 14.580 -29.946 879 HA THR 109 HA THR 109 -8.258 13.637 -29.174 880 HB THR 109 HB THR 109 -8.342 15.560 -30.637 881 HG1 THR 109 HG1 THR 109 -9.185 13.081 -31.629 882 HG21 THR 109 HG21 THR 109 -7.493 15.504 -32.957 883 HG22 THR 109 HG22 THR 109 -6.710 13.960 -32.619 884 HG23 THR 109 HG23 THR 109 -6.193 15.416 -31.768 885 H LYS 110 H LYS 110 -9.126 11.724 -29.989 886 HA LYS 110 HA LYS 110 -7.386 9.994 -31.511 887 HB2 LYS 110 HB2 LYS 110 -8.111 8.039 -30.052 888 HB3 LYS 110 HB3 LYS 110 -6.943 9.148 -29.359 889 HG2 LYS 110 HG2 LYS 110 -9.829 9.600 -28.770 890 HG3 LYS 110 HG3 LYS 110 -9.007 8.257 -27.974 891 HD2 LYS 110 HD2 LYS 110 -7.282 9.841 -27.168 892 HD3 LYS 110 HD3 LYS 110 -8.191 11.164 -27.897 893 HE2 LYS 110 HE2 LYS 110 -9.370 9.301 -25.849 894 HE3 LYS 110 HE3 LYS 110 -8.532 10.790 -25.414 895 HZ1 LYS 110 HZ1 LYS 110 -10.142 12.032 -26.725 896 HZ2 LYS 110 HZ2 LYS 110 -10.920 11.123 -25.528 897 HZ3 LYS 110 HZ3 LYS 110 -10.946 10.601 -27.137 898 H LYS 111 H LYS 111 -10.663 10.338 -30.196 899 HA LYS 111 HA LYS 111 -11.697 9.136 -32.633 900 HB2 LYS 111 HB2 LYS 111 -12.601 8.914 -29.801 901 HB3 LYS 111 HB3 LYS 111 -13.797 8.794 -31.083 902 HG2 LYS 111 HG2 LYS 111 -12.397 6.973 -32.088 903 HG3 LYS 111 HG3 LYS 111 -11.416 7.018 -30.620 904 HD2 LYS 111 HD2 LYS 111 -13.314 6.428 -29.268 905 HD3 LYS 111 HD3 LYS 111 -14.395 6.557 -30.657 906 HE2 LYS 111 HE2 LYS 111 -13.180 4.702 -31.736 907 HE3 LYS 111 HE3 LYS 111 -12.173 4.550 -30.296 908 HZ1 LYS 111 HZ1 LYS 111 -14.156 4.042 -29.010 909 HZ2 LYS 111 HZ2 LYS 111 -13.976 2.946 -30.286 910 HZ3 LYS 111 HZ3 LYS 111 -15.120 4.187 -30.394 Start of MODEL 5 1 H1 MET -3 H1 MET -3 9.641 50.224 8.409 2 H2 MET -3 H2 MET -3 8.181 50.199 9.263 3 H3 MET -3 H3 MET -3 9.007 48.755 8.959 4 HA MET -3 HA MET -3 10.833 49.451 10.345 5 HB2 MET -3 HB2 MET -3 9.200 51.953 10.447 6 HB3 MET -3 HB3 MET -3 10.192 51.529 11.835 7 HG2 MET -3 HG2 MET -3 11.216 51.828 9.021 8 HG3 MET -3 HG3 MET -3 11.299 53.074 10.264 9 HE1 MET -3 HE1 MET -3 13.860 53.388 10.123 10 HE2 MET -3 HE2 MET -3 13.934 52.243 8.783 11 HE3 MET -3 HE3 MET -3 15.033 52.071 10.152 12 H HIS -2 H HIS -2 10.893 48.728 12.433 13 HA HIS -2 HA HIS -2 10.281 47.643 14.318 14 HB2 HIS -2 HB2 HIS -2 7.882 49.449 14.071 15 HB3 HIS -2 HB3 HIS -2 8.084 48.331 15.414 16 HD1 HIS -2 HD1 HIS -2 9.222 51.600 14.118 17 HD2 HIS -2 HD2 HIS -2 10.248 48.965 17.164 18 HE1 HIS -2 HE1 HIS -2 10.705 52.911 15.670 19 HE2 HIS -2 HE2 HIS -2 11.314 51.296 17.507 20 H HIS -1 H HIS -1 9.438 45.741 14.938 21 HA HIS -1 HA HIS -1 7.502 44.471 13.114 22 HB2 HIS -1 HB2 HIS -1 9.820 43.381 14.687 23 HB3 HIS -1 HB3 HIS -1 8.514 42.323 14.166 24 HD1 HIS -1 HD1 HIS -1 8.489 41.603 11.745 25 HD2 HIS -1 HD2 HIS -1 11.361 44.496 12.550 26 HE1 HIS -1 HE1 HIS -1 9.913 41.728 9.677 27 HE2 HIS -1 HE2 HIS -1 11.646 43.487 10.185 28 H HIS 0 H HIS 0 5.790 43.302 13.929 29 HA HIS 0 HA HIS 0 5.165 43.769 16.766 30 HB2 HIS 0 HB2 HIS 0 3.424 43.469 14.330 31 HB3 HIS 0 HB3 HIS 0 2.772 43.243 15.950 32 HD1 HIS 0 HD1 HIS 0 2.237 45.313 17.284 33 HD2 HIS 0 HD2 HIS 0 4.348 46.142 13.802 34 HE1 HIS 0 HE1 HIS 0 2.208 47.818 17.060 35 HE2 HIS 0 HE2 HIS 0 3.492 48.298 14.946 36 H HIS 1 H HIS 1 4.421 42.107 18.063 37 HA HIS 1 HA HIS 1 5.110 39.422 17.128 38 HB2 HIS 1 HB2 HIS 1 5.916 40.615 19.354 39 HB3 HIS 1 HB3 HIS 1 4.391 39.990 19.972 40 HD1 HIS 1 HD1 HIS 1 4.305 37.546 20.575 41 HD2 HIS 1 HD2 HIS 1 7.759 38.574 18.506 42 HE1 HIS 1 HE1 HIS 1 5.790 35.519 20.696 43 HE2 HIS 1 HE2 HIS 1 7.875 36.162 19.436 44 H HIS 2 H HIS 2 3.522 38.283 16.285 45 HA HIS 2 HA HIS 2 0.996 37.995 17.724 46 HB2 HIS 2 HB2 HIS 2 1.223 38.858 14.838 47 HB3 HIS 2 HB3 HIS 2 -0.233 38.114 15.489 48 HD1 HIS 2 HD1 HIS 2 1.693 41.293 15.461 49 HD2 HIS 2 HD2 HIS 2 -1.693 39.729 17.293 50 HE1 HIS 2 HE1 HIS 2 0.501 43.265 16.469 51 HE2 HIS 2 HE2 HIS 2 -1.545 42.296 17.574 52 H HIS 3 H HIS 3 0.277 35.939 17.739 53 HA HIS 3 HA HIS 3 1.403 34.042 15.792 54 HB2 HIS 3 HB2 HIS 3 1.331 33.778 18.789 55 HB3 HIS 3 HB3 HIS 3 1.421 32.364 17.744 56 HD1 HIS 3 HD1 HIS 3 3.653 31.871 16.613 57 HD2 HIS 3 HD2 HIS 3 3.655 35.398 18.810 58 HE1 HIS 3 HE1 HIS 3 6.062 32.572 16.758 59 HE2 HIS 3 HE2 HIS 3 6.042 34.709 18.091 60 H SER 4 H SER 4 0.108 32.410 15.120 61 HA SER 4 HA SER 4 -2.593 32.180 16.253 62 HB2 SER 4 HB2 SER 4 -3.491 31.967 13.913 63 HB3 SER 4 HB3 SER 4 -2.886 33.575 14.303 64 HG SER 4 HG SER 4 -2.138 32.894 12.268 65 H THR 5 H THR 5 -0.217 30.762 14.014 66 HA THR 5 HA THR 5 -0.989 28.098 14.991 67 HB THR 5 HB THR 5 -1.871 28.193 12.763 68 HG1 THR 5 HG1 THR 5 0.210 26.559 13.375 69 HG21 THR 5 HG21 THR 5 -0.577 30.076 11.861 70 HG22 THR 5 HG22 THR 5 -0.541 28.691 10.769 71 HG23 THR 5 HG23 THR 5 0.859 29.054 11.780 72 H SER 6 H SER 6 0.605 27.490 16.281 73 HA SER 6 HA SER 6 3.377 28.117 15.562 74 HB2 SER 6 HB2 SER 6 2.483 28.824 17.808 75 HB3 SER 6 HB3 SER 6 2.360 27.115 18.223 76 HG SER 6 HG SER 6 4.487 28.685 18.385 77 H VAL 7 H VAL 7 1.192 25.540 15.629 78 HA VAL 7 HA VAL 7 3.276 23.492 15.850 79 HB VAL 7 HB VAL 7 0.306 22.995 15.492 80 HG11 VAL 7 HG11 VAL 7 2.581 21.256 16.440 81 HG12 VAL 7 HG12 VAL 7 1.590 21.040 14.998 82 HG13 VAL 7 HG13 VAL 7 0.880 20.818 16.597 83 HG21 VAL 7 HG21 VAL 7 0.464 24.258 17.506 84 HG22 VAL 7 HG22 VAL 7 1.875 23.347 18.042 85 HG23 VAL 7 HG23 VAL 7 0.296 22.565 17.971 86 H ASP 8 H ASP 8 4.365 23.132 14.044 87 HA ASP 8 HA ASP 8 2.894 22.907 11.500 88 HB2 ASP 8 HB2 ASP 8 5.608 24.098 12.051 89 HB3 ASP 8 HB3 ASP 8 5.147 23.552 10.441 90 H LEU 9 H LEU 9 5.778 21.833 13.293 91 HA LEU 9 HA LEU 9 6.067 19.499 11.581 92 HB2 LEU 9 HB2 LEU 9 8.044 19.002 13.060 93 HB3 LEU 9 HB3 LEU 9 8.135 20.485 12.136 94 HG LEU 9 HG LEU 9 7.185 21.495 14.436 95 HD11 LEU 9 HD11 LEU 9 8.269 20.413 16.334 96 HD12 LEU 9 HD12 LEU 9 8.830 19.114 15.283 97 HD13 LEU 9 HD13 LEU 9 7.104 19.333 15.568 98 HD21 LEU 9 HD21 LEU 9 9.514 22.052 14.997 99 HD22 LEU 9 HD22 LEU 9 9.170 22.258 13.279 100 HD23 LEU 9 HD23 LEU 9 10.067 20.845 13.835 101 H GLY 10 H GLY 10 5.536 17.457 12.086 102 HA2 GLY 10 HA2 GLY 10 4.818 16.742 14.822 103 HA3 GLY 10 HA3 GLY 10 3.533 16.656 13.627 104 H THR 11 H THR 11 6.841 15.507 14.262 105 HA THR 11 HA THR 11 6.054 12.881 13.298 106 HB THR 11 HB THR 11 6.961 13.860 11.280 107 HG1 THR 11 HG1 THR 11 7.619 11.616 12.130 108 HG21 THR 11 HG21 THR 11 9.519 14.359 12.816 109 HG22 THR 11 HG22 THR 11 8.403 15.598 12.244 110 HG23 THR 11 HG23 THR 11 9.286 14.606 11.085 111 H GLU 12 H GLU 12 7.209 14.492 15.777 112 HA GLU 12 HA GLU 12 9.347 12.639 16.495 113 HB2 GLU 12 HB2 GLU 12 9.795 15.084 16.585 114 HB3 GLU 12 HB3 GLU 12 8.544 15.237 17.804 115 HG2 GLU 12 HG2 GLU 12 10.485 15.234 19.045 116 HG3 GLU 12 HG3 GLU 12 9.951 13.559 19.149 117 H ASN 13 H ASN 13 6.629 14.212 18.066 118 HA ASN 13 HA ASN 13 6.503 12.309 20.201 119 HB2 ASN 13 HB2 ASN 13 5.956 14.845 20.213 120 HB3 ASN 13 HB3 ASN 13 4.379 14.344 19.634 121 HD21 ASN 13 HD21 ASN 13 5.584 15.547 22.063 122 HD22 ASN 13 HD22 ASN 13 4.911 14.642 23.338 123 H LEU 14 H LEU 14 4.525 12.913 17.294 124 HA LEU 14 HA LEU 14 2.658 10.841 18.089 125 HB2 LEU 14 HB2 LEU 14 1.515 11.412 15.892 126 HB3 LEU 14 HB3 LEU 14 1.490 12.614 17.161 127 HG LEU 14 HG LEU 14 3.714 12.896 15.243 128 HD11 LEU 14 HD11 LEU 14 2.375 13.804 13.468 129 HD12 LEU 14 HD12 LEU 14 0.894 13.515 14.378 130 HD13 LEU 14 HD13 LEU 14 1.840 12.153 13.783 131 HD21 LEU 14 HD21 LEU 14 3.072 15.251 15.422 132 HD22 LEU 14 HD22 LEU 14 3.275 14.517 17.014 133 HD23 LEU 14 HD23 LEU 14 1.657 14.795 16.369 134 H TYR 15 H TYR 15 4.932 11.377 15.484 135 HA TYR 15 HA TYR 15 4.534 8.687 14.432 136 HB2 TYR 15 HB2 TYR 15 5.838 11.146 13.482 137 HB3 TYR 15 HB3 TYR 15 6.644 9.660 13.013 138 HD1 TYR 15 HD1 TYR 15 5.542 8.065 11.534 139 HD2 TYR 15 HD2 TYR 15 3.656 11.718 12.612 140 HE1 TYR 15 HE1 TYR 15 3.918 7.756 9.713 141 HE2 TYR 15 HE2 TYR 15 2.022 11.421 10.798 142 HH TYR 15 HH TYR 15 1.839 10.229 8.663 143 H PHE 16 H PHE 16 5.843 6.988 14.788 144 HA PHE 16 HA PHE 16 8.506 7.336 15.835 145 HB2 PHE 16 HB2 PHE 16 6.575 6.951 17.665 146 HB3 PHE 16 HB3 PHE 16 6.894 5.273 17.240 147 HD1 PHE 16 HD1 PHE 16 8.226 8.287 18.810 148 HD2 PHE 16 HD2 PHE 16 9.029 4.242 17.755 149 HE1 PHE 16 HE1 PHE 16 10.176 8.286 20.311 150 HE2 PHE 16 HE2 PHE 16 10.978 4.234 19.256 151 HZ PHE 16 HZ PHE 16 11.554 6.257 20.536 152 H GLN 17 H GLN 17 6.004 5.082 14.739 153 HA GLN 17 HA GLN 17 7.973 3.085 13.951 154 HB2 GLN 17 HB2 GLN 17 4.958 3.159 13.877 155 HB3 GLN 17 HB3 GLN 17 5.885 1.850 13.156 156 HG2 GLN 17 HG2 GLN 17 6.896 1.395 15.360 157 HG3 GLN 17 HG3 GLN 17 5.877 2.654 16.057 158 HE21 GLN 17 HE21 GLN 17 3.669 2.299 16.268 159 HE22 GLN 17 HE22 GLN 17 2.975 0.722 16.150 160 H SER 18 H SER 18 8.224 2.298 11.825 161 HA SER 18 HA SER 18 7.925 4.331 9.764 162 HB2 SER 18 HB2 SER 18 9.373 1.672 9.770 163 HB3 SER 18 HB3 SER 18 9.371 2.806 8.418 164 HG SER 18 HG SER 18 10.330 4.345 9.831 165 H ASN 19 H ASN 19 7.116 3.836 7.633 166 HA ASN 19 HA ASN 19 4.819 2.012 7.719 167 HB2 ASN 19 HB2 ASN 19 5.441 4.452 6.068 168 HB3 ASN 19 HB3 ASN 19 4.157 3.346 5.614 169 HD21 ASN 19 HD21 ASN 19 4.404 6.140 6.532 170 HD22 ASN 19 HD22 ASN 19 3.255 6.262 7.787 171 H ALA 20 H ALA 20 7.935 2.199 6.394 172 HA ALA 20 HA ALA 20 7.436 0.787 3.935 173 HB1 ALA 20 HB1 ALA 20 10.036 1.374 5.345 174 HB2 ALA 20 HB2 ALA 20 9.279 2.372 4.104 175 HB3 ALA 20 HB3 ALA 20 9.867 0.758 3.701 176 H GLY 21 H GLY 21 8.015 -1.316 3.417 177 HA2 GLY 21 HA2 GLY 21 9.242 -3.356 4.315 178 HA3 GLY 21 HA3 GLY 21 8.209 -3.157 5.719 179 H LYS 22 H LYS 22 6.121 -2.240 3.598 180 HA LYS 22 HA LYS 22 5.146 -4.950 3.064 181 HB2 LYS 22 HB2 LYS 22 2.916 -4.025 2.913 182 HB3 LYS 22 HB3 LYS 22 3.677 -3.505 4.402 183 HG2 LYS 22 HG2 LYS 22 4.278 -1.431 2.761 184 HG3 LYS 22 HG3 LYS 22 2.707 -1.935 2.129 185 HD2 LYS 22 HD2 LYS 22 1.743 -1.762 4.368 186 HD3 LYS 22 HD3 LYS 22 3.315 -1.298 5.021 187 HE2 LYS 22 HE2 LYS 22 3.298 0.706 3.604 188 HE3 LYS 22 HE3 LYS 22 1.710 0.246 2.986 189 HZ1 LYS 22 HZ1 LYS 22 2.306 0.786 5.845 190 HZ2 LYS 22 HZ2 LYS 22 0.784 0.492 5.168 191 HZ3 LYS 22 HZ3 LYS 22 1.622 1.911 4.783 192 H MET 23 H MET 23 3.651 -5.009 0.988 193 HA MET 23 HA MET 23 5.096 -3.786 -1.206 194 HB2 MET 23 HB2 MET 23 4.391 -6.588 -0.627 195 HB3 MET 23 HB3 MET 23 4.112 -6.063 -2.273 196 HG2 MET 23 HG2 MET 23 6.488 -5.244 -2.307 197 HG3 MET 23 HG3 MET 23 6.703 -6.050 -0.755 198 HE1 MET 23 HE1 MET 23 5.905 -6.389 -4.495 199 HE2 MET 23 HE2 MET 23 6.802 -7.853 -4.891 200 HE3 MET 23 HE3 MET 23 7.655 -6.442 -4.266 201 H PHE 24 H PHE 24 3.948 -3.406 -3.008 202 HA PHE 24 HA PHE 24 1.086 -2.833 -2.755 203 HB2 PHE 24 HB2 PHE 24 2.779 -0.942 -3.111 204 HB3 PHE 24 HB3 PHE 24 3.093 -1.621 -4.694 205 HD1 PHE 24 HD1 PHE 24 2.341 1.165 -4.262 206 HD2 PHE 24 HD2 PHE 24 -0.147 -2.237 -4.879 207 HE1 PHE 24 HE1 PHE 24 0.593 2.616 -5.197 208 HE2 PHE 24 HE2 PHE 24 -1.890 -0.781 -5.817 209 HZ PHE 24 HZ PHE 24 -1.526 1.643 -5.979 210 H ILE 25 H ILE 25 0.009 -4.474 -3.702 211 HA ILE 25 HA ILE 25 1.048 -5.871 -6.009 212 HB ILE 25 HB ILE 25 -1.489 -6.605 -4.767 213 HG12 ILE 25 HG12 ILE 25 -0.064 -6.053 -2.816 214 HG13 ILE 25 HG13 ILE 25 -0.526 -7.733 -2.871 215 HG21 ILE 25 HG21 ILE 25 0.784 -8.074 -6.023 216 HG22 ILE 25 HG22 ILE 25 -0.915 -8.040 -6.486 217 HG23 ILE 25 HG23 ILE 25 -0.408 -8.929 -5.052 218 HD11 ILE 25 HD11 ILE 25 2.157 -6.699 -3.757 219 HD12 ILE 25 HD12 ILE 25 1.683 -8.385 -3.551 220 HD13 ILE 25 HD13 ILE 25 1.815 -7.328 -2.146 221 H GLY 26 H GLY 26 0.423 -5.291 -7.924 222 HA2 GLY 26 HA2 GLY 26 -2.075 -3.867 -8.267 223 HA3 GLY 26 HA3 GLY 26 -0.687 -3.584 -9.259 224 H GLY 27 H GLY 27 -3.234 -4.008 -10.205 225 HA2 GLY 27 HA2 GLY 27 -4.189 -5.038 -12.017 226 HA3 GLY 27 HA3 GLY 27 -2.733 -5.997 -12.174 227 H LEU 28 H LEU 28 -4.485 -6.169 -9.152 228 HA LEU 28 HA LEU 28 -4.748 -8.920 -9.157 229 HB2 LEU 28 HB2 LEU 28 -6.542 -6.966 -7.697 230 HB3 LEU 28 HB3 LEU 28 -6.274 -8.641 -7.277 231 HG LEU 28 HG LEU 28 -4.032 -6.628 -7.238 232 HD11 LEU 28 HD11 LEU 28 -5.842 -5.807 -5.805 233 HD12 LEU 28 HD12 LEU 28 -4.455 -6.342 -4.856 234 HD13 LEU 28 HD13 LEU 28 -5.888 -7.362 -4.975 235 HD21 LEU 28 HD21 LEU 28 -3.039 -8.207 -5.663 236 HD22 LEU 28 HD22 LEU 28 -3.414 -9.005 -7.188 237 HD23 LEU 28 HD23 LEU 28 -4.457 -9.245 -5.790 238 H SER 29 H SER 29 -6.960 -10.093 -8.982 239 HA SER 29 HA SER 29 -8.556 -9.409 -11.306 240 HB2 SER 29 HB2 SER 29 -7.348 -11.673 -11.056 241 HB3 SER 29 HB3 SER 29 -8.563 -12.048 -9.835 242 HG SER 29 HG SER 29 -8.890 -12.560 -12.250 243 H TRP 30 H TRP 30 -10.823 -10.335 -11.016 244 HA TRP 30 HA TRP 30 -12.213 -8.802 -9.106 245 HB2 TRP 30 HB2 TRP 30 -14.194 -9.725 -10.211 246 HB3 TRP 30 HB3 TRP 30 -13.037 -9.170 -11.395 247 HD1 TRP 30 HD1 TRP 30 -11.218 -11.608 -11.828 248 HE1 TRP 30 HE1 TRP 30 -12.078 -13.827 -12.755 249 HE3 TRP 30 HE3 TRP 30 -16.204 -11.087 -10.762 250 HZ2 TRP 30 HZ2 TRP 30 -14.497 -15.176 -13.046 251 HZ3 TRP 30 HZ3 TRP 30 -17.727 -12.908 -11.417 252 HH2 TRP 30 HH2 TRP 30 -16.891 -14.913 -12.536 253 H GLN 31 H GLN 31 -10.936 -11.929 -9.150 254 HA GLN 31 HA GLN 31 -12.729 -13.041 -7.150 255 HB2 GLN 31 HB2 GLN 31 -10.526 -14.159 -8.847 256 HB3 GLN 31 HB3 GLN 31 -11.306 -15.101 -7.582 257 HG2 GLN 31 HG2 GLN 31 -13.476 -14.744 -8.741 258 HG3 GLN 31 HG3 GLN 31 -12.594 -13.946 -10.045 259 HE21 GLN 31 HE21 GLN 31 -13.135 -16.951 -8.376 260 HE22 GLN 31 HE22 GLN 31 -12.536 -17.985 -9.621 261 H THR 32 H THR 32 -9.563 -11.740 -7.490 262 HA THR 32 HA THR 32 -8.356 -12.895 -5.209 263 HB THR 32 HB THR 32 -7.481 -10.291 -6.239 264 HG1 THR 32 HG1 THR 32 -6.611 -12.462 -7.696 265 HG21 THR 32 HG21 THR 32 -6.167 -11.409 -4.503 266 HG22 THR 32 HG22 THR 32 -5.257 -11.303 -6.009 267 HG23 THR 32 HG23 THR 32 -6.011 -12.824 -5.542 268 H SER 33 H SER 33 -8.950 -12.601 -3.211 269 HA SER 33 HA SER 33 -9.993 -10.026 -2.240 270 HB2 SER 33 HB2 SER 33 -10.213 -12.838 -1.136 271 HB3 SER 33 HB3 SER 33 -10.819 -11.409 -0.306 272 HG SER 33 HG SER 33 -12.124 -11.040 -2.211 273 HA PRO 34 HA PRO 34 -6.368 -9.226 0.264 274 HB2 PRO 34 HB2 PRO 34 -7.414 -8.826 2.805 275 HB3 PRO 34 HB3 PRO 34 -7.297 -7.580 1.555 276 HG2 PRO 34 HG2 PRO 34 -9.639 -9.259 2.321 277 HG3 PRO 34 HG3 PRO 34 -9.582 -7.544 1.864 278 HD2 PRO 34 HD2 PRO 34 -10.430 -9.378 0.133 279 HD3 PRO 34 HD3 PRO 34 -9.432 -8.017 -0.402 280 H ASP 35 H ASP 35 -8.647 -11.567 1.321 281 HA ASP 35 HA ASP 35 -6.907 -12.952 3.137 282 HB2 ASP 35 HB2 ASP 35 -9.633 -13.208 2.186 283 HB3 ASP 35 HB3 ASP 35 -8.873 -14.704 2.640 284 H SER 36 H SER 36 -7.953 -13.145 -0.134 285 HA SER 36 HA SER 36 -6.819 -15.674 -0.815 286 HB2 SER 36 HB2 SER 36 -8.678 -14.528 -2.086 287 HB3 SER 36 HB3 SER 36 -7.477 -13.389 -2.693 288 HG SER 36 HG SER 36 -7.286 -16.200 -3.016 289 H LEU 37 H LEU 37 -5.749 -12.303 -0.902 290 HA LEU 37 HA LEU 37 -3.327 -12.709 -2.279 291 HB2 LEU 37 HB2 LEU 37 -4.946 -10.659 -1.059 292 HB3 LEU 37 HB3 LEU 37 -3.281 -10.438 -0.658 293 HG LEU 37 HG LEU 37 -4.265 -10.725 -3.475 294 HD11 LEU 37 HD11 LEU 37 -3.748 -8.199 -1.922 295 HD12 LEU 37 HD12 LEU 37 -5.324 -8.805 -2.437 296 HD13 LEU 37 HD13 LEU 37 -4.141 -8.296 -3.639 297 HD21 LEU 37 HD21 LEU 37 -2.166 -9.728 -4.107 298 HD22 LEU 37 HD22 LEU 37 -1.862 -11.138 -3.101 299 HD23 LEU 37 HD23 LEU 37 -1.715 -9.526 -2.417 300 H ARG 38 H ARG 38 -4.370 -12.646 1.064 301 HA ARG 38 HA ARG 38 -1.829 -12.759 2.275 302 HB2 ARG 38 HB2 ARG 38 -4.241 -12.104 3.220 303 HB3 ARG 38 HB3 ARG 38 -4.245 -13.799 3.681 304 HG2 ARG 38 HG2 ARG 38 -2.220 -13.481 4.980 305 HG3 ARG 38 HG3 ARG 38 -2.136 -11.798 4.465 306 HD2 ARG 38 HD2 ARG 38 -4.519 -12.896 5.926 307 HD3 ARG 38 HD3 ARG 38 -3.108 -12.274 6.779 308 HE ARG 38 HE ARG 38 -4.041 -10.394 4.874 309 HH11 ARG 38 HH11 ARG 38 -4.816 -11.653 8.061 310 HH12 ARG 38 HH12 ARG 38 -5.628 -10.207 8.558 311 HH21 ARG 38 HH21 ARG 38 -5.794 -8.433 7.137 312 HH22 ARG 38 HH22 ARG 38 -5.111 -8.514 5.548 313 H ASP 39 H ASP 39 -4.354 -15.085 1.405 314 HA ASP 39 HA ASP 39 -3.065 -17.396 2.360 315 HB2 ASP 39 HB2 ASP 39 -5.404 -16.789 0.682 316 HB3 ASP 39 HB3 ASP 39 -4.655 -18.350 0.365 317 H TYR 40 H TYR 40 -2.966 -15.746 -0.800 318 HA TYR 40 HA TYR 40 -1.586 -17.823 -2.160 319 HB2 TYR 40 HB2 TYR 40 -3.035 -15.835 -3.082 320 HB3 TYR 40 HB3 TYR 40 -1.504 -14.968 -3.062 321 HD1 TYR 40 HD1 TYR 40 -3.201 -17.966 -4.441 322 HD2 TYR 40 HD2 TYR 40 0.081 -15.288 -4.766 323 HE1 TYR 40 HE1 TYR 40 -2.614 -18.961 -6.615 324 HE2 TYR 40 HE2 TYR 40 0.682 -16.271 -6.940 325 HH TYR 40 HH TYR 40 -1.383 -18.292 -8.674 326 H PHE 41 H PHE 41 -0.586 -14.658 -0.867 327 HA PHE 41 HA PHE 41 2.130 -14.975 -1.493 328 HB2 PHE 41 HB2 PHE 41 0.499 -12.985 -0.116 329 HB3 PHE 41 HB3 PHE 41 2.237 -12.914 0.075 330 HD1 PHE 41 HD1 PHE 41 3.669 -12.342 -1.793 331 HD2 PHE 41 HD2 PHE 41 -0.542 -12.739 -2.308 332 HE1 PHE 41 HE1 PHE 41 3.856 -11.302 -4.008 333 HE2 PHE 41 HE2 PHE 41 -0.349 -11.696 -4.545 334 HZ PHE 41 HZ PHE 41 1.846 -10.980 -5.388 335 H SER 42 H SER 42 0.267 -15.929 1.295 336 HA SER 42 HA SER 42 2.326 -16.025 3.237 337 HB2 SER 42 HB2 SER 42 -0.324 -17.378 2.955 338 HB3 SER 42 HB3 SER 42 0.812 -17.991 4.156 339 HG SER 42 HG SER 42 0.108 -16.431 5.361 340 H LYS 43 H LYS 43 1.751 -17.619 0.490 341 HA LYS 43 HA LYS 43 3.064 -20.117 1.034 342 HB2 LYS 43 HB2 LYS 43 1.689 -18.868 -1.297 343 HB3 LYS 43 HB3 LYS 43 2.719 -20.250 -1.551 344 HG2 LYS 43 HG2 LYS 43 0.997 -20.846 0.623 345 HG3 LYS 43 HG3 LYS 43 0.026 -20.199 -0.697 346 HD2 LYS 43 HD2 LYS 43 1.020 -21.839 -2.227 347 HD3 LYS 43 HD3 LYS 43 1.983 -22.488 -0.900 348 HE2 LYS 43 HE2 LYS 43 -1.018 -22.366 -0.784 349 HE3 LYS 43 HE3 LYS 43 -0.166 -23.726 -1.516 350 HZ1 LYS 43 HZ1 LYS 43 -0.774 -24.048 0.854 351 HZ2 LYS 43 HZ2 LYS 43 0.292 -22.802 1.267 352 HZ3 LYS 43 HZ3 LYS 43 0.882 -24.214 0.548 353 H PHE 44 H PHE 44 3.934 -16.991 0.111 354 HA PHE 44 HA PHE 44 6.463 -17.749 -1.176 355 HB2 PHE 44 HB2 PHE 44 4.649 -15.715 -1.656 356 HB3 PHE 44 HB3 PHE 44 5.978 -14.932 -0.826 357 HD1 PHE 44 HD1 PHE 44 4.825 -16.376 -3.898 358 HD2 PHE 44 HD2 PHE 44 8.285 -15.067 -1.790 359 HE1 PHE 44 HE1 PHE 44 6.077 -16.288 -6.012 360 HE2 PHE 44 HE2 PHE 44 9.543 -14.977 -3.903 361 HZ PHE 44 HZ PHE 44 8.436 -15.588 -6.017 362 H GLY 45 H GLY 45 5.077 -16.269 1.642 363 HA2 GLY 45 HA2 GLY 45 7.311 -16.662 3.288 364 HA3 GLY 45 HA3 GLY 45 7.142 -14.969 2.850 365 H GLU 46 H GLU 46 6.710 -14.611 5.094 366 HA GLU 46 HA GLU 46 4.100 -15.414 5.970 367 HB2 GLU 46 HB2 GLU 46 6.127 -15.918 7.426 368 HB3 GLU 46 HB3 GLU 46 6.186 -14.187 7.739 369 HG2 GLU 46 HG2 GLU 46 4.039 -14.198 8.741 370 HG3 GLU 46 HG3 GLU 46 3.721 -15.840 8.200 371 H ILE 47 H ILE 47 2.632 -14.059 6.314 372 HA ILE 47 HA ILE 47 3.062 -11.224 5.759 373 HB ILE 47 HB ILE 47 0.571 -12.792 5.387 374 HG12 ILE 47 HG12 ILE 47 1.725 -11.473 3.115 375 HG13 ILE 47 HG13 ILE 47 2.816 -12.631 3.847 376 HG21 ILE 47 HG21 ILE 47 -0.174 -10.705 4.128 377 HG22 ILE 47 HG22 ILE 47 1.123 -9.881 4.992 378 HG23 ILE 47 HG23 ILE 47 -0.199 -10.627 5.891 379 HD11 ILE 47 HD11 ILE 47 0.563 -14.117 3.683 380 HD12 ILE 47 HD12 ILE 47 1.771 -14.063 2.398 381 HD13 ILE 47 HD13 ILE 47 0.333 -13.043 2.308 382 H ARG 48 H ARG 48 2.390 -9.665 7.037 383 HA ARG 48 HA ARG 48 1.607 -10.306 9.763 384 HB2 ARG 48 HB2 ARG 48 3.413 -8.600 8.767 385 HB3 ARG 48 HB3 ARG 48 2.029 -7.536 8.753 386 HG2 ARG 48 HG2 ARG 48 1.781 -7.630 11.077 387 HG3 ARG 48 HG3 ARG 48 2.865 -9.016 11.221 388 HD2 ARG 48 HD2 ARG 48 4.743 -7.624 10.499 389 HD3 ARG 48 HD3 ARG 48 3.663 -6.240 10.343 390 HE ARG 48 HE ARG 48 3.372 -7.088 12.935 391 HH11 ARG 48 HH11 ARG 48 6.946 -5.348 12.345 392 HH12 ARG 48 HH12 ARG 48 6.085 -5.996 10.989 393 HH21 ARG 48 HH21 ARG 48 6.058 -5.480 14.441 394 HH22 ARG 48 HH22 ARG 48 4.518 -6.230 14.696 395 H GLU 49 H GLU 49 0.528 -8.529 6.937 396 HA GLU 49 HA GLU 49 -2.238 -8.669 7.600 397 HB2 GLU 49 HB2 GLU 49 -1.158 -6.614 8.892 398 HB3 GLU 49 HB3 GLU 49 -1.273 -5.844 7.319 399 HG2 GLU 49 HG2 GLU 49 -3.693 -6.317 7.300 400 HG3 GLU 49 HG3 GLU 49 -3.547 -7.002 8.918 401 H CYS 50 H CYS 50 -3.520 -7.828 5.858 402 HA CYS 50 HA CYS 50 -2.195 -7.142 3.423 403 HB2 CYS 50 HB2 CYS 50 -2.522 -9.562 3.263 404 HB3 CYS 50 HB3 CYS 50 -4.241 -9.353 3.584 405 HG CYS 50 HG CYS 50 -4.004 -9.929 0.893 406 H MET 51 H MET 51 -3.443 -6.034 1.996 407 HA MET 51 HA MET 51 -6.048 -5.100 2.803 408 HB2 MET 51 HB2 MET 51 -4.497 -3.589 3.890 409 HB3 MET 51 HB3 MET 51 -3.756 -3.270 2.349 410 HG2 MET 51 HG2 MET 51 -5.690 -2.126 1.556 411 HG3 MET 51 HG3 MET 51 -6.609 -2.608 2.981 412 HE1 MET 51 HE1 MET 51 -3.347 0.647 2.804 413 HE2 MET 51 HE2 MET 51 -4.242 0.038 1.413 414 HE3 MET 51 HE3 MET 51 -3.074 -0.999 2.230 415 H VAL 52 H VAL 52 -7.337 -4.801 1.230 416 HA VAL 52 HA VAL 52 -6.418 -4.280 -1.493 417 HB VAL 52 HB VAL 52 -8.680 -6.058 -0.750 418 HG11 VAL 52 HG11 VAL 52 -9.319 -5.114 -2.797 419 HG12 VAL 52 HG12 VAL 52 -8.585 -6.661 -3.232 420 HG13 VAL 52 HG13 VAL 52 -7.668 -5.163 -3.414 421 HG21 VAL 52 HG21 VAL 52 -6.407 -6.988 -0.356 422 HG22 VAL 52 HG22 VAL 52 -6.127 -6.830 -2.088 423 HG23 VAL 52 HG23 VAL 52 -7.390 -7.910 -1.495 424 H MET 53 H MET 53 -7.214 -2.535 -2.271 425 HA MET 53 HA MET 53 -9.010 -0.859 -0.817 426 HB2 MET 53 HB2 MET 53 -7.302 -0.588 -3.210 427 HB3 MET 53 HB3 MET 53 -8.704 0.470 -3.145 428 HG2 MET 53 HG2 MET 53 -6.614 0.234 -0.990 429 HG3 MET 53 HG3 MET 53 -6.670 1.498 -2.217 430 HE1 MET 53 HE1 MET 53 -6.534 3.242 -0.137 431 HE2 MET 53 HE2 MET 53 -6.606 1.917 1.023 432 HE3 MET 53 HE3 MET 53 -7.720 3.278 1.168 433 H ARG 54 H ARG 54 -11.086 -0.615 -0.969 434 HA ARG 54 HA ARG 54 -12.521 -1.442 -3.396 435 HB2 ARG 54 HB2 ARG 54 -12.749 -2.522 -0.692 436 HB3 ARG 54 HB3 ARG 54 -14.293 -1.964 -1.325 437 HG2 ARG 54 HG2 ARG 54 -14.052 -3.404 -3.258 438 HG3 ARG 54 HG3 ARG 54 -12.455 -3.912 -2.706 439 HD2 ARG 54 HD2 ARG 54 -13.414 -4.948 -0.749 440 HD3 ARG 54 HD3 ARG 54 -15.014 -4.335 -1.166 441 HE ARG 54 HE ARG 54 -13.922 -5.944 -3.250 442 HH11 ARG 54 HH11 ARG 54 -16.211 -7.734 -0.475 443 HH12 ARG 54 HH12 ARG 54 -15.544 -6.171 -0.142 444 HH21 ARG 54 HH21 ARG 54 -14.812 -7.989 -3.665 445 HH22 ARG 54 HH22 ARG 54 -15.796 -8.760 -2.467 446 H ASP 55 H ASP 55 -14.694 -0.415 -3.579 447 HA ASP 55 HA ASP 55 -14.695 2.241 -2.483 448 HB2 ASP 55 HB2 ASP 55 -15.513 1.069 -5.019 449 HB3 ASP 55 HB3 ASP 55 -16.490 2.384 -4.433 450 HA PRO 56 HA PRO 56 -18.245 0.765 -0.043 451 HB2 PRO 56 HB2 PRO 56 -18.561 3.618 0.650 452 HB3 PRO 56 HB3 PRO 56 -18.328 2.226 1.713 453 HG2 PRO 56 HG2 PRO 56 -16.380 4.013 1.326 454 HG3 PRO 56 HG3 PRO 56 -16.036 2.285 1.542 455 HD2 PRO 56 HD2 PRO 56 -16.053 3.902 -0.969 456 HD3 PRO 56 HD3 PRO 56 -14.958 2.594 -0.470 457 H THR 57 H THR 57 -18.240 2.959 -2.659 458 HA THR 57 HA THR 57 -21.027 3.614 -2.595 459 HB THR 57 HB THR 57 -20.555 4.597 -4.892 460 HG1 THR 57 HG1 THR 57 -18.277 4.908 -5.288 461 HG21 THR 57 HG21 THR 57 -18.908 5.619 -2.575 462 HG22 THR 57 HG22 THR 57 -20.624 5.940 -2.826 463 HG23 THR 57 HG23 THR 57 -19.433 6.554 -3.975 464 H THR 58 H THR 58 -18.933 1.558 -4.579 465 HA THR 58 HA THR 58 -21.330 0.278 -5.720 466 HB THR 58 HB THR 58 -19.912 -0.390 -7.643 467 HG1 THR 58 HG1 THR 58 -17.872 0.910 -7.771 468 HG21 THR 58 HG21 THR 58 -21.248 1.596 -7.894 469 HG22 THR 58 HG22 THR 58 -19.671 1.894 -8.627 470 HG23 THR 58 HG23 THR 58 -20.045 2.561 -7.036 471 H LYS 59 H LYS 59 -18.751 -0.217 -3.637 472 HA LYS 59 HA LYS 59 -17.875 -1.971 -2.501 473 HB2 LYS 59 HB2 LYS 59 -20.032 -3.770 -3.566 474 HB3 LYS 59 HB3 LYS 59 -19.231 -3.823 -2.006 475 HG2 LYS 59 HG2 LYS 59 -20.897 -1.470 -2.729 476 HG3 LYS 59 HG3 LYS 59 -21.685 -2.962 -2.212 477 HD2 LYS 59 HD2 LYS 59 -20.488 -2.905 -0.102 478 HD3 LYS 59 HD3 LYS 59 -19.571 -1.492 -0.630 479 HE2 LYS 59 HE2 LYS 59 -21.661 -0.207 -0.767 480 HE3 LYS 59 HE3 LYS 59 -22.555 -1.617 -0.203 481 HZ1 LYS 59 HZ1 LYS 59 -22.082 -0.020 1.576 482 HZ2 LYS 59 HZ2 LYS 59 -20.422 -0.239 1.337 483 HZ3 LYS 59 HZ3 LYS 59 -21.376 -1.527 1.877 484 H ARG 60 H ARG 60 -17.598 -1.633 -5.568 485 HA ARG 60 HA ARG 60 -16.498 -4.240 -6.319 486 HB2 ARG 60 HB2 ARG 60 -16.904 -1.677 -7.870 487 HB3 ARG 60 HB3 ARG 60 -16.119 -3.098 -8.543 488 HG2 ARG 60 HG2 ARG 60 -18.805 -3.466 -7.341 489 HG3 ARG 60 HG3 ARG 60 -18.708 -2.606 -8.879 490 HD2 ARG 60 HD2 ARG 60 -17.717 -4.455 -9.963 491 HD3 ARG 60 HD3 ARG 60 -17.374 -5.266 -8.436 492 HE ARG 60 HE ARG 60 -19.742 -5.691 -8.212 493 HH11 ARG 60 HH11 ARG 60 -20.118 -5.299 -12.192 494 HH12 ARG 60 HH12 ARG 60 -18.725 -4.635 -11.406 495 HH21 ARG 60 HH21 ARG 60 -21.555 -6.548 -9.263 496 HH22 ARG 60 HH22 ARG 60 -21.718 -6.380 -10.980 497 H SER 61 H SER 61 -14.343 -4.597 -6.860 498 HA SER 61 HA SER 61 -12.421 -2.856 -5.550 499 HB2 SER 61 HB2 SER 61 -10.809 -4.694 -6.080 500 HB3 SER 61 HB3 SER 61 -12.211 -5.233 -5.155 501 HG SER 61 HG SER 61 -13.113 -5.991 -7.116 502 H ARG 62 H ARG 62 -10.454 -2.121 -6.579 503 HA ARG 62 HA ARG 62 -10.902 -1.320 -9.352 504 HB2 ARG 62 HB2 ARG 62 -9.374 -0.216 -7.079 505 HB3 ARG 62 HB3 ARG 62 -8.648 0.003 -8.665 506 HG2 ARG 62 HG2 ARG 62 -10.733 1.053 -9.450 507 HG3 ARG 62 HG3 ARG 62 -11.405 0.883 -7.829 508 HD2 ARG 62 HD2 ARG 62 -10.607 3.118 -8.049 509 HD3 ARG 62 HD3 ARG 62 -9.501 2.263 -6.980 510 HE ARG 62 HE ARG 62 -8.023 2.048 -8.987 511 HH11 ARG 62 HH11 ARG 62 -9.427 5.707 -9.870 512 HH12 ARG 62 HH12 ARG 62 -10.342 4.683 -8.815 513 HH21 ARG 62 HH21 ARG 62 -6.844 3.408 -10.365 514 HH22 ARG 62 HH22 ARG 62 -7.450 4.986 -10.746 515 H GLY 63 H GLY 63 -9.194 -3.674 -7.678 516 HA2 GLY 63 HA2 GLY 63 -7.974 -5.406 -8.694 517 HA3 GLY 63 HA3 GLY 63 -7.689 -4.365 -10.078 518 H PHE 64 H PHE 64 -7.068 -3.410 -6.736 519 HA PHE 64 HA PHE 64 -4.239 -3.958 -6.939 520 HB2 PHE 64 HB2 PHE 64 -3.397 -1.797 -6.950 521 HB3 PHE 64 HB3 PHE 64 -4.711 -1.713 -8.103 522 HD1 PHE 64 HD1 PHE 64 -3.811 -0.980 -4.615 523 HD2 PHE 64 HD2 PHE 64 -6.384 -0.111 -7.864 524 HE1 PHE 64 HE1 PHE 64 -4.692 0.974 -3.375 525 HE2 PHE 64 HE2 PHE 64 -7.288 1.834 -6.648 526 HZ PHE 64 HZ PHE 64 -6.442 2.378 -4.398 527 H GLY 65 H GLY 65 -3.077 -3.758 -4.954 528 HA2 GLY 65 HA2 GLY 65 -4.345 -2.954 -2.577 529 HA3 GLY 65 HA3 GLY 65 -4.297 -4.703 -2.732 530 H PHE 66 H PHE 66 -2.994 -4.295 -0.772 531 HA PHE 66 HA PHE 66 -0.197 -4.218 -1.321 532 HB2 PHE 66 HB2 PHE 66 -1.702 -2.928 0.895 533 HB3 PHE 66 HB3 PHE 66 0.014 -3.116 0.892 534 HD1 PHE 66 HD1 PHE 66 1.413 -1.592 -0.310 535 HD2 PHE 66 HD2 PHE 66 -2.818 -1.493 -0.754 536 HE1 PHE 66 HE1 PHE 66 1.596 0.558 -1.496 537 HE2 PHE 66 HE2 PHE 66 -2.646 0.662 -1.944 538 HZ PHE 66 HZ PHE 66 -0.435 1.686 -2.318 539 H VAL 67 H VAL 67 1.012 -5.319 0.354 540 HA VAL 67 HA VAL 67 -0.383 -7.080 2.182 541 HB VAL 67 HB VAL 67 1.483 -8.232 0.074 542 HG11 VAL 67 HG11 VAL 67 0.939 -9.124 2.744 543 HG12 VAL 67 HG12 VAL 67 2.004 -9.841 1.531 544 HG13 VAL 67 HG13 VAL 67 0.301 -10.298 1.589 545 HG21 VAL 67 HG21 VAL 67 -0.855 -7.926 -0.701 546 HG22 VAL 67 HG22 VAL 67 -1.393 -8.951 0.627 547 HG23 VAL 67 HG23 VAL 67 -0.359 -9.620 -0.637 548 H THR 68 H THR 68 0.597 -7.183 3.928 549 HA THR 68 HA THR 68 3.210 -5.957 4.177 550 HB THR 68 HB THR 68 1.453 -6.521 6.460 551 HG1 THR 68 HG1 THR 68 0.402 -5.401 4.485 552 HG21 THR 68 HG21 THR 68 2.725 -3.930 6.325 553 HG22 THR 68 HG22 THR 68 3.893 -5.239 6.075 554 HG23 THR 68 HG23 THR 68 2.905 -5.197 7.541 555 H PHE 69 H PHE 69 4.737 -7.355 4.104 556 HA PHE 69 HA PHE 69 4.505 -10.008 5.079 557 HB2 PHE 69 HB2 PHE 69 6.682 -8.464 3.716 558 HB3 PHE 69 HB3 PHE 69 6.910 -10.103 4.290 559 HD1 PHE 69 HD1 PHE 69 5.657 -11.972 3.292 560 HD2 PHE 69 HD2 PHE 69 5.315 -7.990 1.824 561 HE1 PHE 69 HE1 PHE 69 4.537 -12.813 1.271 562 HE2 PHE 69 HE2 PHE 69 4.205 -8.830 -0.201 563 HZ PHE 69 HZ PHE 69 3.808 -11.231 -0.467 564 H ALA 70 H ALA 70 4.965 -10.666 7.081 565 HA ALA 70 HA ALA 70 6.080 -8.926 8.995 566 HB1 ALA 70 HB1 ALA 70 5.467 -11.828 9.389 567 HB2 ALA 70 HB2 ALA 70 4.257 -10.551 9.484 568 HB3 ALA 70 HB3 ALA 70 5.590 -10.588 10.636 569 H ASP 71 H ASP 71 7.619 -10.488 6.795 570 HA ASP 71 HA ASP 71 10.030 -10.836 8.350 571 HB2 ASP 71 HB2 ASP 71 8.808 -12.935 7.417 572 HB3 ASP 71 HB3 ASP 71 9.525 -12.452 5.912 573 HA PRO 72 HA PRO 72 11.658 -8.077 5.151 574 HB2 PRO 72 HB2 PRO 72 14.294 -8.801 6.060 575 HB3 PRO 72 HB3 PRO 72 13.499 -7.251 6.111 576 HG2 PRO 72 HG2 PRO 72 14.016 -8.625 8.352 577 HG3 PRO 72 HG3 PRO 72 12.576 -7.602 8.181 578 HD2 PRO 72 HD2 PRO 72 12.810 -10.574 7.944 579 HD3 PRO 72 HD3 PRO 72 11.549 -9.592 8.722 580 H ALA 73 H ALA 73 12.381 -11.340 5.663 581 HA ALA 73 HA ALA 73 14.167 -11.703 3.469 582 HB1 ALA 73 HB1 ALA 73 14.088 -14.066 3.976 583 HB2 ALA 73 HB2 ALA 73 12.723 -13.798 5.059 584 HB3 ALA 73 HB3 ALA 73 14.306 -13.127 5.452 585 H SER 74 H SER 74 10.775 -11.861 3.939 586 HA SER 74 HA SER 74 10.129 -13.375 1.609 587 HB2 SER 74 HB2 SER 74 8.632 -13.008 3.656 588 HB3 SER 74 HB3 SER 74 8.248 -11.442 2.938 589 HG SER 74 HG SER 74 7.943 -13.931 1.606 590 H VAL 75 H VAL 75 10.644 -10.035 2.266 591 HA VAL 75 HA VAL 75 9.633 -9.015 -0.174 592 HB VAL 75 HB VAL 75 11.749 -7.687 1.525 593 HG11 VAL 75 HG11 VAL 75 11.330 -6.604 -0.626 594 HG12 VAL 75 HG12 VAL 75 10.779 -5.587 0.706 595 HG13 VAL 75 HG13 VAL 75 9.610 -6.498 -0.250 596 HG21 VAL 75 HG21 VAL 75 9.935 -8.307 3.019 597 HG22 VAL 75 HG22 VAL 75 8.757 -7.573 1.932 598 HG23 VAL 75 HG23 VAL 75 9.936 -6.559 2.768 599 H ASP 76 H ASP 76 12.627 -10.266 0.911 600 HA ASP 76 HA ASP 76 14.264 -9.531 -1.261 601 HB2 ASP 76 HB2 ASP 76 14.789 -10.389 1.179 602 HB3 ASP 76 HB3 ASP 76 14.795 -11.948 0.385 603 H LYS 77 H LYS 77 12.435 -12.324 -0.375 604 HA LYS 77 HA LYS 77 13.102 -14.029 -2.477 605 HB2 LYS 77 HB2 LYS 77 10.713 -13.979 -0.660 606 HB3 LYS 77 HB3 LYS 77 10.977 -15.248 -1.846 607 HG2 LYS 77 HG2 LYS 77 13.266 -15.539 -0.679 608 HG3 LYS 77 HG3 LYS 77 12.520 -14.641 0.643 609 HD2 LYS 77 HD2 LYS 77 10.753 -16.280 0.817 610 HD3 LYS 77 HD3 LYS 77 11.375 -17.146 -0.588 611 HE2 LYS 77 HE2 LYS 77 13.440 -17.634 0.636 612 HE3 LYS 77 HE3 LYS 77 12.808 -16.776 2.041 613 HZ1 LYS 77 HZ1 LYS 77 11.591 -19.196 0.819 614 HZ2 LYS 77 HZ2 LYS 77 11.024 -18.386 2.191 615 HZ3 LYS 77 HZ3 LYS 77 12.519 -19.176 2.235 616 H VAL 78 H VAL 78 10.456 -11.760 -2.108 617 HA VAL 78 HA VAL 78 9.244 -12.442 -4.613 618 HB VAL 78 HB VAL 78 8.637 -10.020 -2.895 619 HG11 VAL 78 HG11 VAL 78 6.965 -11.377 -5.016 620 HG12 VAL 78 HG12 VAL 78 7.806 -9.841 -5.210 621 HG13 VAL 78 HG13 VAL 78 6.487 -9.984 -4.046 622 HG21 VAL 78 HG21 VAL 78 8.289 -12.029 -1.594 623 HG22 VAL 78 HG22 VAL 78 7.383 -12.767 -2.915 624 HG23 VAL 78 HG23 VAL 78 6.723 -11.367 -2.067 625 H LEU 79 H LEU 79 11.568 -10.043 -3.524 626 HA LEU 79 HA LEU 79 11.509 -8.228 -5.638 627 HB2 LEU 79 HB2 LEU 79 12.688 -8.480 -3.235 628 HB3 LEU 79 HB3 LEU 79 14.034 -8.889 -4.258 629 HG LEU 79 HG LEU 79 13.980 -6.562 -3.482 630 HD11 LEU 79 HD11 LEU 79 14.544 -5.513 -5.622 631 HD12 LEU 79 HD12 LEU 79 13.827 -6.883 -6.468 632 HD13 LEU 79 HD13 LEU 79 15.255 -7.119 -5.460 633 HD21 LEU 79 HD21 LEU 79 11.440 -6.368 -3.724 634 HD22 LEU 79 HD22 LEU 79 11.771 -5.980 -5.414 635 HD23 LEU 79 HD23 LEU 79 12.426 -4.963 -4.132 636 H GLY 80 H GLY 80 13.237 -11.284 -5.190 637 HA2 GLY 80 HA2 GLY 80 14.866 -11.043 -7.493 638 HA3 GLY 80 HA3 GLY 80 14.645 -12.493 -6.548 639 H GLN 81 H GLN 81 11.726 -12.332 -6.883 640 HA GLN 81 HA GLN 81 11.527 -13.412 -9.581 641 HB2 GLN 81 HB2 GLN 81 9.995 -13.795 -7.023 642 HB3 GLN 81 HB3 GLN 81 9.361 -14.332 -8.560 643 HG2 GLN 81 HG2 GLN 81 11.300 -15.760 -8.891 644 HG3 GLN 81 HG3 GLN 81 11.985 -15.165 -7.379 645 HE21 GLN 81 HE21 GLN 81 9.462 -17.113 -8.816 646 HE22 GLN 81 HE22 GLN 81 9.071 -18.006 -7.390 647 HA PRO 82 HA PRO 82 9.301 -9.405 -10.115 648 HB2 PRO 82 HB2 PRO 82 9.887 -9.598 -12.941 649 HB3 PRO 82 HB3 PRO 82 10.497 -8.429 -11.766 650 HG2 PRO 82 HG2 PRO 82 12.070 -10.308 -12.945 651 HG3 PRO 82 HG3 PRO 82 12.391 -9.623 -11.341 652 HD2 PRO 82 HD2 PRO 82 11.147 -12.247 -12.056 653 HD3 PRO 82 HD3 PRO 82 12.317 -11.856 -10.776 654 H HIS 83 H HIS 83 8.949 -12.320 -12.108 655 HA HIS 83 HA HIS 83 6.404 -11.452 -13.183 656 HB2 HIS 83 HB2 HIS 83 8.258 -12.927 -14.302 657 HB3 HIS 83 HB3 HIS 83 7.462 -14.239 -13.445 658 HD1 HIS 83 HD1 HIS 83 5.040 -14.855 -14.218 659 HD2 HIS 83 HD2 HIS 83 6.876 -11.895 -16.485 660 HE1 HIS 83 HE1 HIS 83 3.619 -14.605 -16.279 661 HE2 HIS 83 HE2 HIS 83 4.749 -12.808 -17.637 662 H HIS 84 H HIS 84 4.476 -11.855 -12.346 663 HA HIS 84 HA HIS 84 4.049 -14.077 -10.499 664 HB2 HIS 84 HB2 HIS 84 4.358 -11.522 -9.588 665 HB3 HIS 84 HB3 HIS 84 2.617 -11.586 -9.832 666 HD1 HIS 84 HD1 HIS 84 1.252 -12.954 -8.192 667 HD2 HIS 84 HD2 HIS 84 5.349 -13.349 -7.627 668 HE1 HIS 84 HE1 HIS 84 1.516 -14.186 -6.020 669 HE2 HIS 84 HE2 HIS 84 4.001 -14.420 -5.696 670 H GLU 85 H GLU 85 2.299 -15.160 -11.110 671 HA GLU 85 HA GLU 85 0.429 -13.923 -12.901 672 HB2 GLU 85 HB2 GLU 85 1.982 -16.012 -13.518 673 HB3 GLU 85 HB3 GLU 85 0.640 -16.879 -12.785 674 HG2 GLU 85 HG2 GLU 85 -0.899 -15.964 -14.376 675 HG3 GLU 85 HG3 GLU 85 0.347 -14.905 -15.035 676 H LEU 86 H LEU 86 -1.576 -13.935 -12.451 677 HA LEU 86 HA LEU 86 -2.797 -15.562 -10.415 678 HB2 LEU 86 HB2 LEU 86 -2.233 -13.605 -9.171 679 HB3 LEU 86 HB3 LEU 86 -2.663 -12.564 -10.501 680 HG LEU 86 HG LEU 86 -5.048 -13.470 -10.126 681 HD11 LEU 86 HD11 LEU 86 -3.779 -14.005 -7.443 682 HD12 LEU 86 HD12 LEU 86 -4.572 -15.175 -8.497 683 HD13 LEU 86 HD13 LEU 86 -5.517 -13.905 -7.722 684 HD21 LEU 86 HD21 LEU 86 -4.633 -11.181 -9.872 685 HD22 LEU 86 HD22 LEU 86 -3.625 -11.435 -8.449 686 HD23 LEU 86 HD23 LEU 86 -5.366 -11.670 -8.348 687 H ASP 87 H ASP 87 -4.731 -16.133 -11.048 688 HA ASP 87 HA ASP 87 -6.470 -16.686 -12.390 689 HB2 ASP 87 HB2 ASP 87 -6.997 -14.475 -11.370 690 HB3 ASP 87 HB3 ASP 87 -6.568 -13.751 -12.892 691 H SER 88 H SER 88 -4.006 -16.795 -13.514 692 HA SER 88 HA SER 88 -2.949 -17.350 -15.453 693 HB2 SER 88 HB2 SER 88 -5.642 -16.876 -16.758 694 HB3 SER 88 HB3 SER 88 -4.243 -17.591 -17.561 695 HG SER 88 HG SER 88 -4.405 -19.055 -15.529 696 H LYS 89 H LYS 89 -3.620 -14.379 -14.576 697 HA LYS 89 HA LYS 89 -2.401 -13.202 -16.942 698 HB2 LYS 89 HB2 LYS 89 -3.508 -11.001 -16.067 699 HB3 LYS 89 HB3 LYS 89 -4.404 -12.102 -17.086 700 HG2 LYS 89 HG2 LYS 89 -5.434 -13.041 -14.985 701 HG3 LYS 89 HG3 LYS 89 -4.665 -11.713 -14.112 702 HD2 LYS 89 HD2 LYS 89 -5.835 -10.113 -15.592 703 HD3 LYS 89 HD3 LYS 89 -6.658 -11.470 -16.365 704 HE2 LYS 89 HE2 LYS 89 -7.647 -12.081 -14.200 705 HE3 LYS 89 HE3 LYS 89 -6.847 -10.696 -13.455 706 HZ1 LYS 89 HZ1 LYS 89 -8.938 -10.620 -15.561 707 HZ2 LYS 89 HZ2 LYS 89 -8.092 -9.261 -15.015 708 HZ3 LYS 89 HZ3 LYS 89 -9.095 -10.115 -13.953 709 H THR 90 H THR 90 -1.080 -11.528 -16.620 710 HA THR 90 HA THR 90 0.700 -11.801 -14.362 711 HB THR 90 HB THR 90 1.058 -9.812 -16.593 712 HG1 THR 90 HG1 THR 90 0.790 -11.577 -17.813 713 HG21 THR 90 HG21 THR 90 3.443 -10.336 -16.267 714 HG22 THR 90 HG22 THR 90 3.013 -11.472 -14.989 715 HG23 THR 90 HG23 THR 90 2.701 -9.749 -14.780 716 H ILE 91 H ILE 91 0.638 -10.582 -12.583 717 HA ILE 91 HA ILE 91 -0.712 -7.970 -12.690 718 HB ILE 91 HB ILE 91 -1.217 -8.219 -10.309 719 HG12 ILE 91 HG12 ILE 91 -0.442 -11.078 -10.421 720 HG13 ILE 91 HG13 ILE 91 0.721 -9.886 -9.877 721 HG21 ILE 91 HG21 ILE 91 -2.932 -9.952 -10.564 722 HG22 ILE 91 HG22 ILE 91 -2.133 -10.498 -12.037 723 HG23 ILE 91 HG23 ILE 91 -2.842 -8.886 -11.963 724 HD11 ILE 91 HD11 ILE 91 -1.978 -9.855 -8.637 725 HD12 ILE 91 HD12 ILE 91 -0.389 -9.520 -7.929 726 HD13 ILE 91 HD13 ILE 91 -0.890 -11.185 -8.208 727 H ASP 92 H ASP 92 0.174 -6.413 -10.777 728 HA ASP 92 HA ASP 92 3.087 -6.472 -11.206 729 HB2 ASP 92 HB2 ASP 92 1.613 -4.699 -12.331 730 HB3 ASP 92 HB3 ASP 92 1.493 -3.978 -10.734 731 HA PRO 93 HA PRO 93 2.902 -6.259 -6.589 732 HB2 PRO 93 HB2 PRO 93 4.765 -8.448 -6.420 733 HB3 PRO 93 HB3 PRO 93 3.077 -8.425 -5.901 734 HG2 PRO 93 HG2 PRO 93 3.994 -9.949 -7.977 735 HG3 PRO 93 HG3 PRO 93 2.320 -9.384 -7.825 736 HD2 PRO 93 HD2 PRO 93 4.545 -8.258 -9.488 737 HD3 PRO 93 HD3 PRO 93 2.830 -8.486 -9.902 738 H LYS 94 H LYS 94 4.193 -4.697 -5.800 739 HA LYS 94 HA LYS 94 7.075 -4.868 -6.145 740 HB2 LYS 94 HB2 LYS 94 7.243 -2.474 -6.944 741 HB3 LYS 94 HB3 LYS 94 6.655 -3.632 -8.122 742 HG2 LYS 94 HG2 LYS 94 5.166 -1.959 -8.508 743 HG3 LYS 94 HG3 LYS 94 4.298 -2.778 -7.208 744 HD2 LYS 94 HD2 LYS 94 5.201 -1.210 -5.585 745 HD3 LYS 94 HD3 LYS 94 6.157 -0.425 -6.843 746 HE2 LYS 94 HE2 LYS 94 3.160 -0.618 -6.978 747 HE3 LYS 94 HE3 LYS 94 3.983 0.712 -6.166 748 HZ1 LYS 94 HZ1 LYS 94 3.421 1.290 -8.437 749 HZ2 LYS 94 HZ2 LYS 94 4.295 -0.033 -9.025 750 HZ3 LYS 94 HZ3 LYS 94 5.102 1.234 -8.250 751 H VAL 95 H VAL 95 8.310 -3.583 -4.728 752 HA VAL 95 HA VAL 95 7.034 -3.051 -2.208 753 HB VAL 95 HB VAL 95 9.864 -2.409 -2.794 754 HG11 VAL 95 HG11 VAL 95 10.216 -3.025 -0.447 755 HG12 VAL 95 HG12 VAL 95 8.496 -3.391 -0.302 756 HG13 VAL 95 HG13 VAL 95 9.023 -1.736 -0.615 757 HG21 VAL 95 HG21 VAL 95 8.797 -5.151 -2.175 758 HG22 VAL 95 HG22 VAL 95 10.503 -4.706 -2.173 759 HG23 VAL 95 HG23 VAL 95 9.578 -4.645 -3.674 760 H ALA 96 H ALA 96 6.721 -1.116 -1.191 761 HA ALA 96 HA ALA 96 6.258 1.190 -2.693 762 HB1 ALA 96 HB1 ALA 96 5.076 0.682 -0.623 763 HB2 ALA 96 HB2 ALA 96 5.800 2.289 -0.574 764 HB3 ALA 96 HB3 ALA 96 6.558 0.954 0.293 765 H PHE 97 H PHE 97 7.234 3.251 -2.677 766 HA PHE 97 HA PHE 97 10.132 3.223 -2.242 767 HB2 PHE 97 HB2 PHE 97 8.299 4.424 -4.225 768 HB3 PHE 97 HB3 PHE 97 9.669 5.410 -3.753 769 HD1 PHE 97 HD1 PHE 97 11.871 4.890 -4.486 770 HD2 PHE 97 HD2 PHE 97 8.661 2.199 -5.254 771 HE1 PHE 97 HE1 PHE 97 13.305 3.625 -6.034 772 HE2 PHE 97 HE2 PHE 97 10.091 0.933 -6.805 773 HZ PHE 97 HZ PHE 97 12.415 1.644 -7.195 774 HA PRO 98 HA PRO 98 9.116 6.192 1.103 775 HB2 PRO 98 HB2 PRO 98 11.919 6.132 1.853 776 HB3 PRO 98 HB3 PRO 98 10.531 5.483 2.730 777 HG2 PRO 98 HG2 PRO 98 12.440 3.908 1.615 778 HG3 PRO 98 HG3 PRO 98 10.757 3.396 1.839 779 HD2 PRO 98 HD2 PRO 98 12.113 4.379 -0.639 780 HD3 PRO 98 HD3 PRO 98 10.948 3.054 -0.431 781 H ARG 99 H ARG 99 10.193 8.282 1.929 782 HA ARG 99 HA ARG 99 11.067 9.843 -0.397 783 HB2 ARG 99 HB2 ARG 99 9.756 10.566 2.209 784 HB3 ARG 99 HB3 ARG 99 10.578 11.791 1.254 785 HG2 ARG 99 HG2 ARG 99 9.103 11.269 -0.646 786 HG3 ARG 99 HG3 ARG 99 8.256 10.092 0.359 787 HD2 ARG 99 HD2 ARG 99 8.531 12.982 1.148 788 HD3 ARG 99 HD3 ARG 99 7.206 12.406 0.137 789 HE ARG 99 HE ARG 99 7.293 10.785 2.399 790 HH11 ARG 99 HH11 ARG 99 6.629 14.159 1.673 791 HH12 ARG 99 HH12 ARG 99 5.563 14.357 3.024 792 HH21 ARG 99 HH21 ARG 99 5.149 12.608 4.429 793 HH22 ARG 99 HH22 ARG 99 5.895 11.069 4.157 794 H ARG 100 H ARG 100 12.012 9.051 2.922 795 HA ARG 100 HA ARG 100 14.477 10.610 2.666 796 HB2 ARG 100 HB2 ARG 100 12.837 10.363 4.775 797 HB3 ARG 100 HB3 ARG 100 13.910 9.013 5.111 798 HG2 ARG 100 HG2 ARG 100 15.835 10.599 4.943 799 HG3 ARG 100 HG3 ARG 100 14.665 11.913 4.820 800 HD2 ARG 100 HD2 ARG 100 14.656 9.959 7.104 801 HD3 ARG 100 HD3 ARG 100 15.629 11.428 7.128 802 HE ARG 100 HE ARG 100 13.416 12.608 6.768 803 HH11 ARG 100 HH11 ARG 100 12.195 9.860 9.430 804 HH12 ARG 100 HH12 ARG 100 13.617 9.553 8.491 805 HH21 ARG 100 HH21 ARG 100 11.559 12.987 8.010 806 HH22 ARG 100 HH22 ARG 100 11.031 11.802 9.158 807 H ALA 101 H ALA 101 16.551 9.662 3.065 808 HA ALA 101 HA ALA 101 16.835 7.047 1.950 809 HB1 ALA 101 HB1 ALA 101 18.844 7.749 1.276 810 HB2 ALA 101 HB2 ALA 101 19.293 8.251 2.903 811 HB3 ALA 101 HB3 ALA 101 18.362 9.339 1.873 812 H GLN 102 H GLN 102 18.604 5.598 2.924 813 HA GLN 102 HA GLN 102 18.243 5.374 5.843 814 HB2 GLN 102 HB2 GLN 102 18.103 3.245 3.723 815 HB3 GLN 102 HB3 GLN 102 18.476 2.843 5.392 816 HG2 GLN 102 HG2 GLN 102 16.349 3.809 6.103 817 HG3 GLN 102 HG3 GLN 102 15.976 4.220 4.430 818 HE21 GLN 102 HE21 GLN 102 15.469 2.573 2.975 819 HE22 GLN 102 HE22 GLN 102 15.005 0.996 3.505 820 HA PRO 103 HA PRO 103 22.733 5.262 5.840 821 HB2 PRO 103 HB2 PRO 103 23.205 4.514 8.393 822 HB3 PRO 103 HB3 PRO 103 22.594 6.122 7.979 823 HG2 PRO 103 HG2 PRO 103 21.107 3.761 9.030 824 HG3 PRO 103 HG3 PRO 103 20.928 5.478 9.441 825 HD2 PRO 103 HD2 PRO 103 19.265 4.142 7.719 826 HD3 PRO 103 HD3 PRO 103 19.548 5.891 7.671 827 H LYS 104 H LYS 104 24.571 3.704 6.639 828 HA LYS 104 HA LYS 104 24.066 1.115 5.445 829 HB2 LYS 104 HB2 LYS 104 26.570 2.383 6.567 830 HB3 LYS 104 HB3 LYS 104 26.530 0.765 5.886 831 HG2 LYS 104 HG2 LYS 104 25.934 1.628 3.724 832 HG3 LYS 104 HG3 LYS 104 25.771 3.259 4.377 833 HD2 LYS 104 HD2 LYS 104 28.211 3.073 5.055 834 HD3 LYS 104 HD3 LYS 104 28.278 1.626 4.050 835 HE2 LYS 104 HE2 LYS 104 27.594 2.928 2.107 836 HE3 LYS 104 HE3 LYS 104 27.472 4.375 3.107 837 HZ1 LYS 104 HZ1 LYS 104 29.547 4.381 1.930 838 HZ2 LYS 104 HZ2 LYS 104 29.946 2.844 2.514 839 HZ3 LYS 104 HZ3 LYS 104 29.862 4.157 3.577 840 H MET 105 H MET 105 23.656 -0.728 6.472 841 HA MET 105 HA MET 105 23.675 -0.776 9.394 842 HB2 MET 105 HB2 MET 105 22.442 -2.626 7.349 843 HB3 MET 105 HB3 MET 105 22.403 -2.933 9.079 844 HG2 MET 105 HG2 MET 105 21.221 -0.762 9.374 845 HG3 MET 105 HG3 MET 105 21.151 -0.616 7.619 846 HE1 MET 105 HE1 MET 105 20.453 -3.364 10.403 847 HE2 MET 105 HE2 MET 105 18.696 -3.433 10.279 848 HE3 MET 105 HE3 MET 105 19.486 -1.937 10.774 849 H VAL 106 H VAL 106 24.711 -2.346 10.626 850 HA VAL 106 HA VAL 106 27.016 -3.598 9.335 851 HB VAL 106 HB VAL 106 26.571 -3.521 12.308 852 HG11 VAL 106 HG11 VAL 106 29.005 -3.528 12.425 853 HG12 VAL 106 HG12 VAL 106 29.104 -3.457 10.665 854 HG13 VAL 106 HG13 VAL 106 28.427 -4.883 11.454 855 HG21 VAL 106 HG21 VAL 106 26.261 -1.216 11.532 856 HG22 VAL 106 HG22 VAL 106 27.816 -1.288 10.705 857 HG23 VAL 106 HG23 VAL 106 27.747 -1.390 12.463 858 H THR 107 H THR 107 27.649 -5.777 10.079 859 HA THR 107 HA THR 107 25.369 -7.536 10.207 860 HB THR 107 HB THR 107 28.197 -8.441 9.725 861 HG1 THR 107 HG1 THR 107 26.421 -7.642 7.654 862 HG21 THR 107 HG21 THR 107 26.561 -10.211 10.046 863 HG22 THR 107 HG22 THR 107 27.062 -10.174 8.354 864 HG23 THR 107 HG23 THR 107 25.506 -9.493 8.828 865 H ARG 108 H ARG 108 24.808 -7.653 12.307 866 HA ARG 108 HA ARG 108 26.798 -8.111 14.385 867 HB2 ARG 108 HB2 ARG 108 23.852 -7.516 14.407 868 HB3 ARG 108 HB3 ARG 108 24.679 -8.058 15.861 869 HG2 ARG 108 HG2 ARG 108 26.130 -6.144 15.815 870 HG3 ARG 108 HG3 ARG 108 25.473 -5.635 14.259 871 HD2 ARG 108 HD2 ARG 108 23.262 -5.357 15.323 872 HD3 ARG 108 HD3 ARG 108 23.980 -5.785 16.875 873 HE ARG 108 HE ARG 108 25.477 -3.686 15.874 874 HH11 ARG 108 HH11 ARG 108 22.140 -4.166 16.861 875 HH12 ARG 108 HH12 ARG 108 21.922 -2.512 17.328 876 HH21 ARG 108 HH21 ARG 108 23.635 -1.021 17.115 877 HH22 ARG 108 HH22 ARG 108 25.167 -1.529 16.487 878 H THR 109 H THR 109 26.809 -9.860 15.796 879 HA THR 109 HA THR 109 25.152 -12.189 15.177 880 HB THR 109 HB THR 109 27.240 -13.654 15.359 881 HG1 THR 109 HG1 THR 109 28.441 -11.131 14.811 882 HG21 THR 109 HG21 THR 109 25.980 -13.284 13.259 883 HG22 THR 109 HG22 THR 109 27.705 -13.525 12.989 884 HG23 THR 109 HG23 THR 109 27.018 -11.902 12.910 885 H LYS 110 H LYS 110 27.448 -10.594 17.312 886 HA LYS 110 HA LYS 110 27.119 -12.426 19.468 887 HB2 LYS 110 HB2 LYS 110 28.530 -9.797 19.166 888 HB3 LYS 110 HB3 LYS 110 28.382 -10.571 20.735 889 HG2 LYS 110 HG2 LYS 110 29.646 -12.453 20.016 890 HG3 LYS 110 HG3 LYS 110 29.605 -11.913 18.337 891 HD2 LYS 110 HD2 LYS 110 30.927 -9.941 18.941 892 HD3 LYS 110 HD3 LYS 110 30.966 -10.481 20.620 893 HE2 LYS 110 HE2 LYS 110 31.993 -12.199 18.382 894 HE3 LYS 110 HE3 LYS 110 33.007 -10.980 19.152 895 HZ1 LYS 110 HZ1 LYS 110 32.742 -12.076 21.252 896 HZ2 LYS 110 HZ2 LYS 110 33.261 -13.218 20.116 897 HZ3 LYS 110 HZ3 LYS 110 31.641 -13.184 20.600 898 H LYS 111 H LYS 111 25.730 -9.342 18.554 899 HA LYS 111 HA LYS 111 24.404 -8.951 21.059 900 HB2 LYS 111 HB2 LYS 111 24.446 -7.430 18.474 901 HB3 LYS 111 HB3 LYS 111 23.305 -7.024 19.748 902 HG2 LYS 111 HG2 LYS 111 25.148 -6.596 21.281 903 HG3 LYS 111 HG3 LYS 111 26.305 -7.037 20.023 904 HD2 LYS 111 HD2 LYS 111 25.522 -5.187 18.640 905 HD3 LYS 111 HD3 LYS 111 24.332 -4.758 19.870 906 HE2 LYS 111 HE2 LYS 111 26.120 -4.282 21.453 907 HE3 LYS 111 HE3 LYS 111 27.323 -4.758 20.255 908 HZ1 LYS 111 HZ1 LYS 111 26.611 -2.934 18.853 909 HZ2 LYS 111 HZ2 LYS 111 27.066 -2.352 20.376 910 HZ3 LYS 111 HZ3 LYS 111 25.428 -2.488 19.977 Start of MODEL 6 1 H1 MET -3 H1 MET -3 54.255 -27.691 9.068 2 H2 MET -3 H2 MET -3 54.062 -28.789 7.797 3 H3 MET -3 H3 MET -3 52.796 -28.529 8.888 4 HA MET -3 HA MET -3 53.899 -26.524 7.010 5 HB2 MET -3 HB2 MET -3 51.470 -28.289 6.924 6 HB3 MET -3 HB3 MET -3 51.486 -26.748 6.078 7 HG2 MET -3 HG2 MET -3 53.474 -27.480 4.830 8 HG3 MET -3 HG3 MET -3 53.392 -29.038 5.649 9 HE1 MET -3 HE1 MET -3 53.363 -28.434 2.399 10 HE2 MET -3 HE2 MET -3 52.259 -29.718 1.911 11 HE3 MET -3 HE3 MET -3 53.495 -30.034 3.128 12 H HIS -2 H HIS -2 51.530 -27.303 9.522 13 HA HIS -2 HA HIS -2 50.710 -24.499 9.681 14 HB2 HIS -2 HB2 HIS -2 49.562 -27.077 10.645 15 HB3 HIS -2 HB3 HIS -2 49.172 -25.609 11.534 16 HD1 HIS -2 HD1 HIS -2 47.682 -23.863 10.350 17 HD2 HIS -2 HD2 HIS -2 48.404 -27.285 8.104 18 HE1 HIS -2 HE1 HIS -2 46.041 -23.778 8.447 19 HE2 HIS -2 HE2 HIS -2 46.496 -25.858 7.099 20 H HIS -1 H HIS -1 51.164 -23.183 11.334 21 HA HIS -1 HA HIS -1 52.652 -24.259 13.635 22 HB2 HIS -1 HB2 HIS -1 53.284 -21.846 11.946 23 HB3 HIS -1 HB3 HIS -1 53.885 -22.000 13.594 24 HD1 HIS -1 HD1 HIS -1 54.421 -23.231 10.139 25 HD2 HIS -1 HD2 HIS -1 55.814 -24.051 13.967 26 HE1 HIS -1 HE1 HIS -1 56.476 -24.644 9.817 27 HE2 HIS -1 HE2 HIS -1 57.304 -25.130 12.147 28 H HIS 0 H HIS 0 50.634 -21.638 12.375 29 HA HIS 0 HA HIS 0 49.786 -21.005 15.125 30 HB2 HIS 0 HB2 HIS 0 49.921 -19.303 12.639 31 HB3 HIS 0 HB3 HIS 0 48.971 -18.829 14.042 32 HD1 HIS 0 HD1 HIS 0 50.185 -17.636 15.866 33 HD2 HIS 0 HD2 HIS 0 52.777 -19.531 13.226 34 HE1 HIS 0 HE1 HIS 0 52.492 -16.893 16.539 35 HE2 HIS 0 HE2 HIS 0 54.045 -18.054 14.929 36 H HIS 1 H HIS 1 47.656 -21.025 15.651 37 HA HIS 1 HA HIS 1 45.830 -22.196 13.673 38 HB2 HIS 1 HB2 HIS 1 45.808 -22.149 16.689 39 HB3 HIS 1 HB3 HIS 1 44.406 -22.648 15.750 40 HD1 HIS 1 HD1 HIS 1 44.510 -24.941 14.595 41 HD2 HIS 1 HD2 HIS 1 47.967 -23.959 16.683 42 HE1 HIS 1 HE1 HIS 1 45.844 -27.069 14.727 43 HE2 HIS 1 HE2 HIS 1 47.933 -26.452 15.994 44 H HIS 2 H HIS 2 43.944 -21.256 13.099 45 HA HIS 2 HA HIS 2 43.364 -18.586 14.208 46 HB2 HIS 2 HB2 HIS 2 43.155 -19.603 11.376 47 HB3 HIS 2 HB3 HIS 2 42.320 -18.150 11.913 48 HD1 HIS 2 HD1 HIS 2 43.696 -16.032 12.158 49 HD2 HIS 2 HD2 HIS 2 46.000 -19.386 11.312 50 HE1 HIS 2 HE1 HIS 2 45.994 -15.154 11.635 51 HE2 HIS 2 HE2 HIS 2 47.372 -17.201 11.125 52 H HIS 3 H HIS 3 41.269 -18.076 14.694 53 HA HIS 3 HA HIS 3 39.359 -20.314 14.659 54 HB2 HIS 3 HB2 HIS 3 39.683 -17.958 16.507 55 HB3 HIS 3 HB3 HIS 3 38.197 -18.901 16.465 56 HD1 HIS 3 HD1 HIS 3 38.239 -21.222 17.535 57 HD2 HIS 3 HD2 HIS 3 41.923 -19.299 17.597 58 HE1 HIS 3 HE1 HIS 3 39.682 -22.583 19.081 59 HE2 HIS 3 HE2 HIS 3 41.907 -21.403 19.103 60 H SER 4 H SER 4 37.311 -20.075 13.890 61 HA SER 4 HA SER 4 36.832 -17.755 12.170 62 HB2 SER 4 HB2 SER 4 35.399 -20.418 12.335 63 HB3 SER 4 HB3 SER 4 35.054 -19.146 11.163 64 HG SER 4 HG SER 4 36.881 -21.062 11.012 65 H THR 5 H THR 5 34.992 -16.487 12.288 66 HA THR 5 HA THR 5 33.627 -16.520 14.875 67 HB THR 5 HB THR 5 34.630 -14.390 14.348 68 HG1 THR 5 HG1 THR 5 32.848 -13.862 15.400 69 HG21 THR 5 HG21 THR 5 34.695 -14.523 11.900 70 HG22 THR 5 HG22 THR 5 33.952 -13.015 12.433 71 HG23 THR 5 HG23 THR 5 32.943 -14.334 11.838 72 H SER 6 H SER 6 31.602 -17.164 15.110 73 HA SER 6 HA SER 6 29.943 -17.514 12.708 74 HB2 SER 6 HB2 SER 6 29.900 -19.080 15.291 75 HB3 SER 6 HB3 SER 6 28.790 -19.326 13.943 76 HG SER 6 HG SER 6 31.472 -19.365 13.287 77 H VAL 7 H VAL 7 30.184 -15.938 15.703 78 HA VAL 7 HA VAL 7 27.317 -15.379 15.910 79 HB VAL 7 HB VAL 7 29.477 -14.320 17.754 80 HG11 VAL 7 HG11 VAL 7 27.386 -13.161 18.007 81 HG12 VAL 7 HG12 VAL 7 27.599 -14.234 19.391 82 HG13 VAL 7 HG13 VAL 7 26.500 -14.684 18.087 83 HG21 VAL 7 HG21 VAL 7 29.639 -16.758 17.733 84 HG22 VAL 7 HG22 VAL 7 27.912 -16.884 18.065 85 HG23 VAL 7 HG23 VAL 7 28.991 -16.181 19.269 86 H ASP 8 H ASP 8 26.618 -13.864 14.555 87 HA ASP 8 HA ASP 8 28.298 -11.629 13.755 88 HB2 ASP 8 HB2 ASP 8 26.613 -13.070 12.301 89 HB3 ASP 8 HB3 ASP 8 25.454 -11.881 12.884 90 H LEU 9 H LEU 9 27.743 -9.446 13.999 91 HA LEU 9 HA LEU 9 26.275 -8.840 16.441 92 HB2 LEU 9 HB2 LEU 9 28.599 -7.896 15.590 93 HB3 LEU 9 HB3 LEU 9 27.575 -6.740 14.762 94 HG LEU 9 HG LEU 9 26.530 -6.511 17.216 95 HD11 LEU 9 HD11 LEU 9 28.016 -8.186 18.200 96 HD12 LEU 9 HD12 LEU 9 28.285 -6.590 18.901 97 HD13 LEU 9 HD13 LEU 9 29.417 -7.231 17.710 98 HD21 LEU 9 HD21 LEU 9 27.363 -4.663 15.911 99 HD22 LEU 9 HD22 LEU 9 29.029 -5.163 16.203 100 HD23 LEU 9 HD23 LEU 9 28.037 -4.576 17.538 101 H GLY 10 H GLY 10 24.643 -7.206 16.559 102 HA2 GLY 10 HA2 GLY 10 23.364 -6.423 14.033 103 HA3 GLY 10 HA3 GLY 10 22.413 -7.326 15.203 104 H THR 11 H THR 11 24.418 -4.401 14.910 105 HA THR 11 HA THR 11 22.667 -3.063 16.877 106 HB THR 11 HB THR 11 24.553 -1.497 17.276 107 HG1 THR 11 HG1 THR 11 25.540 -2.567 15.093 108 HG21 THR 11 HG21 THR 11 25.143 -4.423 17.694 109 HG22 THR 11 HG22 THR 11 24.260 -3.358 18.790 110 HG23 THR 11 HG23 THR 11 25.984 -3.106 18.515 111 H GLU 12 H GLU 12 23.867 -3.052 13.665 112 HA GLU 12 HA GLU 12 22.779 -0.381 13.147 113 HB2 GLU 12 HB2 GLU 12 25.075 -0.454 12.544 114 HB3 GLU 12 HB3 GLU 12 24.889 -2.006 11.747 115 HG2 GLU 12 HG2 GLU 12 23.650 -0.989 9.959 116 HG3 GLU 12 HG3 GLU 12 23.681 0.573 10.776 117 H ASN 13 H ASN 13 22.795 -3.663 11.961 118 HA ASN 13 HA ASN 13 20.937 -3.218 9.842 119 HB2 ASN 13 HB2 ASN 13 22.802 -5.017 10.101 120 HB3 ASN 13 HB3 ASN 13 21.576 -5.924 10.958 121 HD21 ASN 13 HD21 ASN 13 23.026 -6.364 8.539 122 HD22 ASN 13 HD22 ASN 13 21.849 -6.593 7.331 123 H LEU 14 H LEU 14 20.241 -2.974 12.967 124 HA LEU 14 HA LEU 14 17.947 -4.725 13.143 125 HB2 LEU 14 HB2 LEU 14 17.525 -3.545 15.320 126 HB3 LEU 14 HB3 LEU 14 19.050 -4.389 15.197 127 HG LEU 14 HG LEU 14 19.969 -1.988 14.566 128 HD11 LEU 14 HD11 LEU 14 17.498 -1.163 14.688 129 HD12 LEU 14 HD12 LEU 14 18.796 -0.161 15.343 130 HD13 LEU 14 HD13 LEU 14 17.796 -1.129 16.427 131 HD21 LEU 14 HD21 LEU 14 20.468 -3.453 16.584 132 HD22 LEU 14 HD22 LEU 14 19.231 -2.523 17.431 133 HD23 LEU 14 HD23 LEU 14 20.665 -1.714 16.798 134 H TYR 15 H TYR 15 15.767 -3.977 13.535 135 HA TYR 15 HA TYR 15 14.994 -1.898 11.663 136 HB2 TYR 15 HB2 TYR 15 13.597 -4.092 13.130 137 HB3 TYR 15 HB3 TYR 15 12.635 -2.717 12.595 138 HD1 TYR 15 HD1 TYR 15 14.691 -5.560 11.493 139 HD2 TYR 15 HD2 TYR 15 12.200 -2.339 10.259 140 HE1 TYR 15 HE1 TYR 15 14.564 -6.529 9.236 141 HE2 TYR 15 HE2 TYR 15 12.064 -3.300 8.001 142 HH TYR 15 HH TYR 15 13.380 -4.821 6.566 143 H PHE 16 H PHE 16 13.328 -0.280 12.255 144 HA PHE 16 HA PHE 16 13.241 0.511 15.031 145 HB2 PHE 16 HB2 PHE 16 15.087 1.709 13.421 146 HB3 PHE 16 HB3 PHE 16 13.705 2.781 13.208 147 HD1 PHE 16 HD1 PHE 16 16.211 1.529 15.540 148 HD2 PHE 16 HD2 PHE 16 12.827 4.068 15.073 149 HE1 PHE 16 HE1 PHE 16 16.734 2.614 17.685 150 HE2 PHE 16 HE2 PHE 16 13.346 5.159 17.216 151 HZ PHE 16 HZ PHE 16 15.300 4.431 18.525 152 H GLN 17 H GLN 17 12.132 1.116 11.725 153 HA GLN 17 HA GLN 17 9.733 2.488 12.605 154 HB2 GLN 17 HB2 GLN 17 10.802 1.697 9.899 155 HB3 GLN 17 HB3 GLN 17 9.195 2.379 10.100 156 HG2 GLN 17 HG2 GLN 17 10.176 4.387 11.097 157 HG3 GLN 17 HG3 GLN 17 11.785 3.704 10.876 158 HE21 GLN 17 HE21 GLN 17 12.657 3.578 8.811 159 HE22 GLN 17 HE22 GLN 17 12.001 4.456 7.477 160 H SER 18 H SER 18 7.576 1.771 12.085 161 HA SER 18 HA SER 18 7.312 -1.166 12.077 162 HB2 SER 18 HB2 SER 18 5.487 0.900 13.330 163 HB3 SER 18 HB3 SER 18 5.218 -0.843 13.345 164 HG SER 18 HG SER 18 6.264 0.089 15.256 165 H ASN 19 H ASN 19 6.722 1.579 10.227 166 HA ASN 19 HA ASN 19 4.347 0.468 8.922 167 HB2 ASN 19 HB2 ASN 19 5.658 3.182 8.767 168 HB3 ASN 19 HB3 ASN 19 4.367 2.696 7.686 169 HD21 ASN 19 HD21 ASN 19 4.651 4.765 9.671 170 HD22 ASN 19 HD22 ASN 19 3.330 4.557 10.728 171 H ALA 20 H ALA 20 7.732 0.637 8.484 172 HA ALA 20 HA ALA 20 7.726 0.464 5.595 173 HB1 ALA 20 HB1 ALA 20 10.135 0.227 5.801 174 HB2 ALA 20 HB2 ALA 20 9.984 0.015 7.546 175 HB3 ALA 20 HB3 ALA 20 9.563 1.559 6.806 176 H GLY 21 H GLY 21 8.378 -1.347 4.346 177 HA2 GLY 21 HA2 GLY 21 9.118 -3.655 4.223 178 HA3 GLY 21 HA3 GLY 21 8.290 -3.945 5.741 179 H LYS 22 H LYS 22 6.256 -2.019 3.966 180 HA LYS 22 HA LYS 22 4.481 -4.177 3.358 181 HB2 LYS 22 HB2 LYS 22 4.404 -1.222 3.288 182 HB3 LYS 22 HB3 LYS 22 3.293 -2.062 2.218 183 HG2 LYS 22 HG2 LYS 22 2.078 -2.949 3.939 184 HG3 LYS 22 HG3 LYS 22 3.441 -2.875 5.068 185 HD2 LYS 22 HD2 LYS 22 3.285 -0.443 5.105 186 HD3 LYS 22 HD3 LYS 22 1.910 -0.515 3.997 187 HE2 LYS 22 HE2 LYS 22 0.664 -1.822 5.688 188 HE3 LYS 22 HE3 LYS 22 2.024 -1.640 6.796 189 HZ1 LYS 22 HZ1 LYS 22 0.308 -0.006 7.244 190 HZ2 LYS 22 HZ2 LYS 22 0.406 0.576 5.659 191 HZ3 LYS 22 HZ3 LYS 22 1.719 0.760 6.708 192 H MET 23 H MET 23 3.396 -4.412 1.332 193 HA MET 23 HA MET 23 4.965 -3.791 -1.034 194 HB2 MET 23 HB2 MET 23 4.554 -6.361 0.060 195 HB3 MET 23 HB3 MET 23 3.511 -6.256 -1.354 196 HG2 MET 23 HG2 MET 23 5.421 -5.619 -2.722 197 HG3 MET 23 HG3 MET 23 6.461 -5.684 -1.301 198 HE1 MET 23 HE1 MET 23 8.210 -7.734 -1.579 199 HE2 MET 23 HE2 MET 23 7.462 -9.164 -0.859 200 HE3 MET 23 HE3 MET 23 7.220 -7.579 -0.124 201 H PHE 24 H PHE 24 3.774 -3.616 -2.881 202 HA PHE 24 HA PHE 24 0.917 -2.971 -2.643 203 HB2 PHE 24 HB2 PHE 24 2.211 -0.931 -2.827 204 HB3 PHE 24 HB3 PHE 24 3.125 -1.556 -4.180 205 HD1 PHE 24 HD1 PHE 24 2.716 0.349 -5.529 206 HD2 PHE 24 HD2 PHE 24 -0.567 -1.896 -4.009 207 HE1 PHE 24 HE1 PHE 24 1.207 1.508 -7.083 208 HE2 PHE 24 HE2 PHE 24 -2.070 -0.736 -5.565 209 HZ PHE 24 HZ PHE 24 -1.192 0.966 -7.102 210 H ILE 25 H ILE 25 -0.122 -4.574 -3.704 211 HA ILE 25 HA ILE 25 1.078 -5.875 -6.003 212 HB ILE 25 HB ILE 25 -1.470 -6.749 -4.885 213 HG12 ILE 25 HG12 ILE 25 -0.091 -6.206 -2.878 214 HG13 ILE 25 HG13 ILE 25 -0.560 -7.884 -2.980 215 HG21 ILE 25 HG21 ILE 25 0.942 -8.205 -5.932 216 HG22 ILE 25 HG22 ILE 25 -0.611 -7.986 -6.738 217 HG23 ILE 25 HG23 ILE 25 -0.498 -9.009 -5.308 218 HD11 ILE 25 HD11 ILE 25 1.762 -7.509 -2.187 219 HD12 ILE 25 HD12 ILE 25 2.151 -6.835 -3.769 220 HD13 ILE 25 HD13 ILE 25 1.666 -8.524 -3.625 221 H GLY 26 H GLY 26 0.559 -5.130 -7.884 222 HA2 GLY 26 HA2 GLY 26 -1.977 -3.827 -8.319 223 HA3 GLY 26 HA3 GLY 26 -0.576 -3.568 -9.296 224 H GLY 27 H GLY 27 -3.147 -4.045 -10.216 225 HA2 GLY 27 HA2 GLY 27 -4.086 -5.121 -12.016 226 HA3 GLY 27 HA3 GLY 27 -2.621 -6.067 -12.151 227 H LEU 28 H LEU 28 -4.361 -6.201 -9.121 228 HA LEU 28 HA LEU 28 -4.605 -8.953 -9.072 229 HB2 LEU 28 HB2 LEU 28 -6.410 -6.975 -7.652 230 HB3 LEU 28 HB3 LEU 28 -6.144 -8.643 -7.199 231 HG LEU 28 HG LEU 28 -3.938 -6.583 -7.177 232 HD11 LEU 28 HD11 LEU 28 -5.717 -7.435 -4.894 233 HD12 LEU 28 HD12 LEU 28 -5.762 -5.867 -5.700 234 HD13 LEU 28 HD13 LEU 28 -4.331 -6.349 -4.791 235 HD21 LEU 28 HD21 LEU 28 -3.005 -8.217 -5.494 236 HD22 LEU 28 HD22 LEU 28 -3.058 -8.789 -7.157 237 HD23 LEU 28 HD23 LEU 28 -4.266 -9.335 -5.998 238 H SER 29 H SER 29 -6.845 -10.122 -8.853 239 HA SER 29 HA SER 29 -8.390 -9.497 -11.227 240 HB2 SER 29 HB2 SER 29 -7.198 -11.768 -10.837 241 HB3 SER 29 HB3 SER 29 -8.498 -12.087 -9.689 242 HG SER 29 HG SER 29 -9.262 -11.151 -12.185 243 H TRP 30 H TRP 30 -10.656 -10.377 -10.971 244 HA TRP 30 HA TRP 30 -12.088 -8.792 -9.137 245 HB2 TRP 30 HB2 TRP 30 -14.035 -9.693 -10.309 246 HB3 TRP 30 HB3 TRP 30 -12.817 -9.191 -11.455 247 HD1 TRP 30 HD1 TRP 30 -11.036 -11.661 -11.781 248 HE1 TRP 30 HE1 TRP 30 -11.902 -13.889 -12.684 249 HE3 TRP 30 HE3 TRP 30 -16.043 -11.046 -10.874 250 HZ2 TRP 30 HZ2 TRP 30 -14.331 -15.212 -13.011 251 HZ3 TRP 30 HZ3 TRP 30 -17.572 -12.861 -11.529 252 HH2 TRP 30 HH2 TRP 30 -16.734 -14.902 -12.577 253 H GLN 31 H GLN 31 -10.838 -11.924 -9.077 254 HA GLN 31 HA GLN 31 -12.721 -12.986 -7.129 255 HB2 GLN 31 HB2 GLN 31 -10.485 -14.172 -8.734 256 HB3 GLN 31 HB3 GLN 31 -11.337 -15.078 -7.488 257 HG2 GLN 31 HG2 GLN 31 -13.448 -14.705 -8.732 258 HG3 GLN 31 HG3 GLN 31 -12.513 -13.918 -10.005 259 HE21 GLN 31 HE21 GLN 31 -13.117 -16.915 -8.340 260 HE22 GLN 31 HE22 GLN 31 -12.495 -17.956 -9.568 261 H THR 32 H THR 32 -9.510 -11.756 -7.397 262 HA THR 32 HA THR 32 -8.390 -12.919 -5.087 263 HB THR 32 HB THR 32 -7.480 -10.308 -6.076 264 HG1 THR 32 HG1 THR 32 -7.890 -11.380 -7.994 265 HG21 THR 32 HG21 THR 32 -5.262 -11.316 -5.746 266 HG22 THR 32 HG22 THR 32 -6.035 -12.833 -5.291 267 HG23 THR 32 HG23 THR 32 -6.235 -11.404 -4.278 268 H SER 33 H SER 33 -9.048 -12.659 -3.132 269 HA SER 33 HA SER 33 -10.119 -10.117 -2.137 270 HB2 SER 33 HB2 SER 33 -10.894 -11.560 -0.205 271 HB3 SER 33 HB3 SER 33 -11.619 -11.969 -1.756 272 HG SER 33 HG SER 33 -9.548 -13.318 -0.379 273 HA PRO 34 HA PRO 34 -6.505 -9.275 0.351 274 HB2 PRO 34 HB2 PRO 34 -7.552 -8.950 2.908 275 HB3 PRO 34 HB3 PRO 34 -7.448 -7.676 1.684 276 HG2 PRO 34 HG2 PRO 34 -9.772 -9.402 2.409 277 HG3 PRO 34 HG3 PRO 34 -9.737 -7.679 1.982 278 HD2 PRO 34 HD2 PRO 34 -10.556 -9.486 0.216 279 HD3 PRO 34 HD3 PRO 34 -9.564 -8.109 -0.291 280 H ASP 35 H ASP 35 -8.701 -11.708 1.385 281 HA ASP 35 HA ASP 35 -6.893 -13.072 3.154 282 HB2 ASP 35 HB2 ASP 35 -9.621 -13.401 2.240 283 HB3 ASP 35 HB3 ASP 35 -8.805 -14.873 2.671 284 H SER 36 H SER 36 -7.975 -13.245 -0.105 285 HA SER 36 HA SER 36 -6.792 -15.737 -0.834 286 HB2 SER 36 HB2 SER 36 -8.682 -14.635 -2.084 287 HB3 SER 36 HB3 SER 36 -7.529 -13.435 -2.665 288 HG SER 36 HG SER 36 -7.689 -16.183 -3.259 289 H LEU 37 H LEU 37 -5.802 -12.344 -0.835 290 HA LEU 37 HA LEU 37 -3.377 -12.663 -2.226 291 HB2 LEU 37 HB2 LEU 37 -5.023 -10.681 -0.956 292 HB3 LEU 37 HB3 LEU 37 -3.372 -10.458 -0.502 293 HG LEU 37 HG LEU 37 -4.308 -10.632 -3.344 294 HD11 LEU 37 HD11 LEU 37 -5.343 -8.738 -2.269 295 HD12 LEU 37 HD12 LEU 37 -4.103 -8.192 -3.397 296 HD13 LEU 37 HD13 LEU 37 -3.778 -8.192 -1.662 297 HD21 LEU 37 HD21 LEU 37 -1.970 -11.103 -3.195 298 HD22 LEU 37 HD22 LEU 37 -1.709 -9.737 -2.118 299 HD23 LEU 37 HD23 LEU 37 -2.147 -9.458 -3.798 300 H ARG 38 H ARG 38 -4.362 -12.599 1.172 301 HA ARG 38 HA ARG 38 -1.810 -12.762 2.319 302 HB2 ARG 38 HB2 ARG 38 -4.197 -12.214 3.368 303 HB3 ARG 38 HB3 ARG 38 -4.169 -13.937 3.720 304 HG2 ARG 38 HG2 ARG 38 -1.732 -13.260 4.625 305 HG3 ARG 38 HG3 ARG 38 -2.581 -11.738 4.890 306 HD2 ARG 38 HD2 ARG 38 -3.619 -14.399 5.849 307 HD3 ARG 38 HD3 ARG 38 -2.580 -13.362 6.820 308 HE ARG 38 HE ARG 38 -4.688 -11.777 6.018 309 HH11 ARG 38 HH11 ARG 38 -4.326 -14.715 7.899 310 HH12 ARG 38 HH12 ARG 38 -5.722 -14.404 8.875 311 HH21 ARG 38 HH21 ARG 38 -6.957 -12.512 8.544 312 HH22 ARG 38 HH22 ARG 38 -6.508 -11.376 7.316 313 H ASP 39 H ASP 39 -4.288 -15.140 1.432 314 HA ASP 39 HA ASP 39 -2.913 -17.437 2.278 315 HB2 ASP 39 HB2 ASP 39 -5.254 -16.861 0.565 316 HB3 ASP 39 HB3 ASP 39 -4.480 -18.425 0.329 317 H TYR 40 H TYR 40 -2.942 -15.721 -0.846 318 HA TYR 40 HA TYR 40 -1.445 -17.677 -2.260 319 HB2 TYR 40 HB2 TYR 40 -3.010 -15.752 -3.130 320 HB3 TYR 40 HB3 TYR 40 -1.524 -14.809 -3.114 321 HD1 TYR 40 HD1 TYR 40 -3.114 -17.836 -4.521 322 HD2 TYR 40 HD2 TYR 40 0.099 -15.068 -4.822 323 HE1 TYR 40 HE1 TYR 40 -2.499 -18.799 -6.700 324 HE2 TYR 40 HE2 TYR 40 0.727 -16.022 -7.001 325 HH TYR 40 HH TYR 40 -1.291 -18.166 -8.719 326 H PHE 41 H PHE 41 -0.625 -14.502 -0.867 327 HA PHE 41 HA PHE 41 2.101 -14.610 -1.550 328 HB2 PHE 41 HB2 PHE 41 0.322 -12.801 -0.108 329 HB3 PHE 41 HB3 PHE 41 2.038 -12.615 0.163 330 HD1 PHE 41 HD1 PHE 41 -0.542 -12.805 -2.496 331 HD2 PHE 41 HD2 PHE 41 3.368 -11.500 -1.439 332 HE1 PHE 41 HE1 PHE 41 -0.326 -11.647 -4.668 333 HE2 PHE 41 HE2 PHE 41 3.579 -10.338 -3.586 334 HZ PHE 41 HZ PHE 41 1.733 -10.413 -5.209 335 H SER 42 H SER 42 0.327 -15.781 1.216 336 HA SER 42 HA SER 42 2.400 -15.829 3.142 337 HB2 SER 42 HB2 SER 42 1.056 -17.640 4.249 338 HB3 SER 42 HB3 SER 42 0.132 -16.183 3.898 339 HG SER 42 HG SER 42 0.124 -18.636 2.481 340 H LYS 43 H LYS 43 1.896 -17.371 0.348 341 HA LYS 43 HA LYS 43 3.214 -19.867 0.810 342 HB2 LYS 43 HB2 LYS 43 1.986 -18.465 -1.507 343 HB3 LYS 43 HB3 LYS 43 3.060 -19.803 -1.809 344 HG2 LYS 43 HG2 LYS 43 1.193 -20.564 0.210 345 HG3 LYS 43 HG3 LYS 43 0.326 -19.888 -1.169 346 HD2 LYS 43 HD2 LYS 43 1.469 -21.439 -2.663 347 HD3 LYS 43 HD3 LYS 43 2.387 -22.090 -1.303 348 HE2 LYS 43 HE2 LYS 43 0.322 -22.864 -0.266 349 HE3 LYS 43 HE3 LYS 43 -0.614 -22.181 -1.594 350 HZ1 LYS 43 HZ1 LYS 43 -0.282 -24.560 -1.866 351 HZ2 LYS 43 HZ2 LYS 43 1.398 -24.353 -1.839 352 HZ3 LYS 43 HZ3 LYS 43 0.487 -23.706 -3.109 353 H PHE 44 H PHE 44 4.213 -16.710 0.221 354 HA PHE 44 HA PHE 44 6.798 -17.460 -0.946 355 HB2 PHE 44 HB2 PHE 44 5.092 -15.164 -1.107 356 HB3 PHE 44 HB3 PHE 44 6.709 -14.701 -0.612 357 HD1 PHE 44 HD1 PHE 44 4.623 -15.945 -3.299 358 HD2 PHE 44 HD2 PHE 44 8.623 -15.138 -2.089 359 HE1 PHE 44 HE1 PHE 44 5.355 -16.081 -5.642 360 HE2 PHE 44 HE2 PHE 44 9.362 -15.270 -4.430 361 HZ PHE 44 HZ PHE 44 7.722 -15.742 -6.213 362 H GLY 45 H GLY 45 5.271 -16.033 1.840 363 HA2 GLY 45 HA2 GLY 45 7.322 -16.691 3.636 364 HA3 GLY 45 HA3 GLY 45 7.317 -14.969 3.285 365 H GLU 46 H GLU 46 6.728 -14.727 5.524 366 HA GLU 46 HA GLU 46 4.017 -15.405 6.149 367 HB2 GLU 46 HB2 GLU 46 5.879 -16.015 7.767 368 HB3 GLU 46 HB3 GLU 46 5.995 -14.292 8.111 369 HG2 GLU 46 HG2 GLU 46 3.753 -14.213 8.901 370 HG3 GLU 46 HG3 GLU 46 3.434 -15.846 8.342 371 H ILE 47 H ILE 47 2.573 -14.022 6.355 372 HA ILE 47 HA ILE 47 3.119 -11.209 5.850 373 HB ILE 47 HB ILE 47 0.625 -12.744 5.382 374 HG12 ILE 47 HG12 ILE 47 1.858 -11.317 3.207 375 HG13 ILE 47 HG13 ILE 47 2.901 -12.532 3.918 376 HG21 ILE 47 HG21 ILE 47 -0.201 -10.674 4.238 377 HG22 ILE 47 HG22 ILE 47 1.138 -9.816 5.003 378 HG23 ILE 47 HG23 ILE 47 -0.115 -10.562 5.996 379 HD11 ILE 47 HD11 ILE 47 0.431 -12.826 2.308 380 HD12 ILE 47 HD12 ILE 47 0.673 -13.992 3.602 381 HD13 ILE 47 HD13 ILE 47 1.880 -13.839 2.325 382 H ARG 48 H ARG 48 2.525 -9.638 7.099 383 HA ARG 48 HA ARG 48 1.710 -10.160 9.819 384 HB2 ARG 48 HB2 ARG 48 3.455 -8.449 8.733 385 HB3 ARG 48 HB3 ARG 48 2.041 -7.426 8.687 386 HG2 ARG 48 HG2 ARG 48 1.781 -7.541 11.052 387 HG3 ARG 48 HG3 ARG 48 3.063 -8.748 11.184 388 HD2 ARG 48 HD2 ARG 48 4.678 -7.107 10.332 389 HD3 ARG 48 HD3 ARG 48 3.392 -5.904 10.230 390 HE ARG 48 HE ARG 48 3.753 -7.057 12.850 391 HH11 ARG 48 HH11 ARG 48 5.220 -3.417 11.999 392 HH12 ARG 48 HH12 ARG 48 4.711 -4.448 10.704 393 HH21 ARG 48 HH21 ARG 48 5.062 -4.122 14.162 394 HH22 ARG 48 HH22 ARG 48 4.434 -5.694 14.529 395 H GLU 49 H GLU 49 0.551 -8.451 6.964 396 HA GLU 49 HA GLU 49 -2.202 -8.659 7.660 397 HB2 GLU 49 HB2 GLU 49 -1.164 -6.581 8.935 398 HB3 GLU 49 HB3 GLU 49 -1.286 -5.817 7.361 399 HG2 GLU 49 HG2 GLU 49 -3.271 -5.190 8.317 400 HG3 GLU 49 HG3 GLU 49 -3.756 -6.654 7.463 401 H CYS 50 H CYS 50 -3.524 -7.853 5.928 402 HA CYS 50 HA CYS 50 -2.248 -7.161 3.470 403 HB2 CYS 50 HB2 CYS 50 -2.496 -9.567 3.300 404 HB3 CYS 50 HB3 CYS 50 -4.198 -9.447 3.731 405 HG CYS 50 HG CYS 50 -4.854 -9.602 1.248 406 H MET 51 H MET 51 -3.562 -6.099 2.037 407 HA MET 51 HA MET 51 -6.182 -5.245 2.858 408 HB2 MET 51 HB2 MET 51 -4.735 -3.692 3.996 409 HB3 MET 51 HB3 MET 51 -3.933 -3.345 2.493 410 HG2 MET 51 HG2 MET 51 -5.888 -2.275 1.610 411 HG3 MET 51 HG3 MET 51 -6.816 -2.732 3.038 412 HE1 MET 51 HE1 MET 51 -3.589 0.550 2.808 413 HE2 MET 51 HE2 MET 51 -4.501 -0.059 1.428 414 HE3 MET 51 HE3 MET 51 -3.326 -1.097 2.236 415 H VAL 52 H VAL 52 -7.473 -4.895 1.283 416 HA VAL 52 HA VAL 52 -6.536 -4.380 -1.434 417 HB VAL 52 HB VAL 52 -8.828 -6.105 -0.663 418 HG11 VAL 52 HG11 VAL 52 -7.817 -5.340 -3.379 419 HG12 VAL 52 HG12 VAL 52 -9.418 -5.034 -2.710 420 HG13 VAL 52 HG13 VAL 52 -8.926 -6.685 -3.097 421 HG21 VAL 52 HG21 VAL 52 -7.576 -7.969 -1.488 422 HG22 VAL 52 HG22 VAL 52 -6.595 -7.096 -0.307 423 HG23 VAL 52 HG23 VAL 52 -6.294 -6.886 -2.030 424 H MET 53 H MET 53 -7.288 -2.633 -2.238 425 HA MET 53 HA MET 53 -9.105 -0.917 -0.828 426 HB2 MET 53 HB2 MET 53 -7.405 -0.649 -3.267 427 HB3 MET 53 HB3 MET 53 -8.703 0.505 -3.019 428 HG2 MET 53 HG2 MET 53 -6.431 -0.047 -1.123 429 HG3 MET 53 HG3 MET 53 -6.597 1.353 -2.178 430 HE1 MET 53 HE1 MET 53 -7.136 3.164 1.131 431 HE2 MET 53 HE2 MET 53 -6.113 2.881 -0.277 432 HE3 MET 53 HE3 MET 53 -6.110 1.732 1.062 433 H ARG 54 H ARG 54 -11.204 -0.988 -0.963 434 HA ARG 54 HA ARG 54 -12.502 -1.488 -3.540 435 HB2 ARG 54 HB2 ARG 54 -12.924 -2.971 -0.975 436 HB3 ARG 54 HB3 ARG 54 -14.282 -2.752 -2.073 437 HG2 ARG 54 HG2 ARG 54 -13.066 -3.867 -3.843 438 HG3 ARG 54 HG3 ARG 54 -11.647 -4.018 -2.806 439 HD2 ARG 54 HD2 ARG 54 -12.973 -5.404 -1.252 440 HD3 ARG 54 HD3 ARG 54 -14.343 -5.296 -2.356 441 HE ARG 54 HE ARG 54 -12.111 -6.270 -3.756 442 HH11 ARG 54 HH11 ARG 54 -14.205 -9.012 -1.700 443 HH12 ARG 54 HH12 ARG 54 -14.367 -7.337 -1.287 444 HH21 ARG 54 HH21 ARG 54 -11.911 -8.467 -4.279 445 HH22 ARG 54 HH22 ARG 54 -12.815 -9.650 -3.392 446 H ASP 55 H ASP 55 -14.684 -0.619 -3.677 447 HA ASP 55 HA ASP 55 -15.016 1.721 -2.064 448 HB2 ASP 55 HB2 ASP 55 -15.780 0.921 -4.773 449 HB3 ASP 55 HB3 ASP 55 -16.783 2.095 -3.965 450 HA PRO 56 HA PRO 56 -18.369 -0.588 0.001 451 HB2 PRO 56 HB2 PRO 56 -18.926 2.007 1.289 452 HB3 PRO 56 HB3 PRO 56 -18.561 0.444 2.028 453 HG2 PRO 56 HG2 PRO 56 -16.784 2.446 2.048 454 HG3 PRO 56 HG3 PRO 56 -16.288 0.747 1.913 455 HD2 PRO 56 HD2 PRO 56 -16.434 2.842 -0.208 456 HD3 PRO 56 HD3 PRO 56 -15.250 1.537 0.019 457 H THR 57 H THR 57 -18.561 2.109 -2.069 458 HA THR 57 HA THR 57 -21.393 2.505 -1.924 459 HB THR 57 HB THR 57 -20.987 3.989 -3.955 460 HG1 THR 57 HG1 THR 57 -18.299 4.113 -3.300 461 HG21 THR 57 HG21 THR 57 -19.946 5.776 -2.604 462 HG22 THR 57 HG22 THR 57 -19.527 4.579 -1.377 463 HG23 THR 57 HG23 THR 57 -21.220 4.926 -1.728 464 H THR 58 H THR 58 -19.119 1.103 -4.249 465 HA THR 58 HA THR 58 -21.381 -0.082 -5.712 466 HB THR 58 HB THR 58 -19.824 -0.251 -7.658 467 HG1 THR 58 HG1 THR 58 -17.898 1.048 -7.509 468 HG21 THR 58 HG21 THR 58 -21.381 1.598 -7.558 469 HG22 THR 58 HG22 THR 58 -19.836 2.184 -8.175 470 HG23 THR 58 HG23 THR 58 -20.291 2.495 -6.499 471 H LYS 59 H LYS 59 -18.758 -0.812 -3.727 472 HA LYS 59 HA LYS 59 -17.790 -2.697 -2.927 473 HB2 LYS 59 HB2 LYS 59 -19.884 -4.395 -4.240 474 HB3 LYS 59 HB3 LYS 59 -19.085 -4.628 -2.696 475 HG2 LYS 59 HG2 LYS 59 -20.826 -2.256 -3.073 476 HG3 LYS 59 HG3 LYS 59 -21.583 -3.834 -2.833 477 HD2 LYS 59 HD2 LYS 59 -20.377 -4.105 -0.725 478 HD3 LYS 59 HD3 LYS 59 -19.569 -2.556 -0.977 479 HE2 LYS 59 HE2 LYS 59 -21.723 -1.411 -0.897 480 HE3 LYS 59 HE3 LYS 59 -22.545 -2.954 -0.676 481 HZ1 LYS 59 HZ1 LYS 59 -20.596 -1.731 1.203 482 HZ2 LYS 59 HZ2 LYS 59 -21.336 -3.238 1.413 483 HZ3 LYS 59 HZ3 LYS 59 -22.270 -1.827 1.427 484 H ARG 60 H ARG 60 -17.549 -1.864 -5.919 485 HA ARG 60 HA ARG 60 -16.357 -4.335 -6.964 486 HB2 ARG 60 HB2 ARG 60 -16.329 -3.247 -9.142 487 HB3 ARG 60 HB3 ARG 60 -17.930 -3.180 -8.430 488 HG2 ARG 60 HG2 ARG 60 -17.561 -0.832 -7.820 489 HG3 ARG 60 HG3 ARG 60 -15.958 -0.903 -8.553 490 HD2 ARG 60 HD2 ARG 60 -17.480 0.116 -10.111 491 HD3 ARG 60 HD3 ARG 60 -17.023 -1.473 -10.718 492 HE ARG 60 HE ARG 60 -19.409 -1.686 -9.234 493 HH11 ARG 60 HH11 ARG 60 -19.819 -0.614 -13.082 494 HH12 ARG 60 HH12 ARG 60 -18.282 -0.416 -12.308 495 HH21 ARG 60 HH21 ARG 60 -21.406 -1.946 -10.270 496 HH22 ARG 60 HH22 ARG 60 -21.585 -1.479 -11.929 497 H SER 61 H SER 61 -14.240 -4.642 -7.213 498 HA SER 61 HA SER 61 -12.404 -2.671 -6.118 499 HB2 SER 61 HB2 SER 61 -12.320 -5.158 -5.581 500 HB3 SER 61 HB3 SER 61 -11.721 -5.403 -7.220 501 HG SER 61 HG SER 61 -9.968 -5.204 -5.853 502 H ARG 62 H ARG 62 -10.419 -2.073 -7.222 503 HA ARG 62 HA ARG 62 -10.842 -1.689 -10.094 504 HB2 ARG 62 HB2 ARG 62 -9.112 -0.285 -8.070 505 HB3 ARG 62 HB3 ARG 62 -8.874 -0.059 -9.797 506 HG2 ARG 62 HG2 ARG 62 -11.173 0.751 -10.008 507 HG3 ARG 62 HG3 ARG 62 -11.407 0.528 -8.273 508 HD2 ARG 62 HD2 ARG 62 -9.586 2.134 -7.849 509 HD3 ARG 62 HD3 ARG 62 -9.427 2.386 -9.587 510 HE ARG 62 HE ARG 62 -12.088 2.866 -8.842 511 HH11 ARG 62 HH11 ARG 62 -9.564 5.938 -8.279 512 HH12 ARG 62 HH12 ARG 62 -8.925 4.336 -8.434 513 HH21 ARG 62 HH21 ARG 62 -12.901 4.972 -8.632 514 HH22 ARG 62 HH22 ARG 62 -11.813 6.297 -8.391 515 H GLY 63 H GLY 63 -9.161 -3.708 -8.033 516 HA2 GLY 63 HA2 GLY 63 -7.867 -5.540 -8.729 517 HA3 GLY 63 HA3 GLY 63 -7.514 -4.700 -10.228 518 H PHE 64 H PHE 64 -7.069 -3.580 -6.872 519 HA PHE 64 HA PHE 64 -4.208 -3.933 -7.004 520 HB2 PHE 64 HB2 PHE 64 -3.490 -1.735 -7.078 521 HB3 PHE 64 HB3 PHE 64 -4.834 -1.714 -8.202 522 HD1 PHE 64 HD1 PHE 64 -3.953 -0.991 -4.702 523 HD2 PHE 64 HD2 PHE 64 -6.511 -0.118 -7.962 524 HE1 PHE 64 HE1 PHE 64 -4.860 0.931 -3.451 525 HE2 PHE 64 HE2 PHE 64 -7.457 1.794 -6.725 526 HZ PHE 64 HZ PHE 64 -6.632 2.321 -4.462 527 H GLY 65 H GLY 65 -3.177 -3.918 -5.004 528 HA2 GLY 65 HA2 GLY 65 -4.498 -3.055 -2.655 529 HA3 GLY 65 HA3 GLY 65 -4.428 -4.802 -2.805 530 H PHE 66 H PHE 66 -3.156 -4.354 -0.791 531 HA PHE 66 HA PHE 66 -0.352 -4.207 -1.314 532 HB2 PHE 66 HB2 PHE 66 -1.930 -2.953 0.867 533 HB3 PHE 66 HB3 PHE 66 -0.209 -3.110 0.916 534 HD1 PHE 66 HD1 PHE 66 -3.016 -1.560 -0.849 535 HD2 PHE 66 HD2 PHE 66 1.196 -1.556 -0.242 536 HE1 PHE 66 HE1 PHE 66 -2.849 0.585 -2.052 537 HE2 PHE 66 HE2 PHE 66 1.371 0.593 -1.438 538 HZ PHE 66 HZ PHE 66 -0.653 1.659 -2.352 539 H VAL 67 H VAL 67 0.850 -5.101 0.550 540 HA VAL 67 HA VAL 67 -0.418 -7.025 2.254 541 HB VAL 67 HB VAL 67 1.509 -8.024 0.115 542 HG11 VAL 67 HG11 VAL 67 0.702 -10.254 1.515 543 HG12 VAL 67 HG12 VAL 67 0.958 -9.061 2.791 544 HG13 VAL 67 HG13 VAL 67 2.267 -9.455 1.674 545 HG21 VAL 67 HG21 VAL 67 -1.296 -8.939 0.744 546 HG22 VAL 67 HG22 VAL 67 -0.235 -9.604 -0.499 547 HG23 VAL 67 HG23 VAL 67 -0.828 -7.946 -0.637 548 H THR 68 H THR 68 0.630 -7.237 3.999 549 HA THR 68 HA THR 68 3.159 -5.834 4.236 550 HB THR 68 HB THR 68 1.420 -6.481 6.516 551 HG1 THR 68 HG1 THR 68 0.370 -5.326 4.568 552 HG21 THR 68 HG21 THR 68 2.549 -3.920 6.701 553 HG22 THR 68 HG22 THR 68 3.806 -4.965 6.007 554 HG23 THR 68 HG23 THR 68 3.066 -5.373 7.558 555 H PHE 69 H PHE 69 4.714 -7.218 4.049 556 HA PHE 69 HA PHE 69 4.576 -9.849 5.124 557 HB2 PHE 69 HB2 PHE 69 6.516 -8.316 3.501 558 HB3 PHE 69 HB3 PHE 69 7.079 -9.738 4.354 559 HD1 PHE 69 HD1 PHE 69 5.199 -8.486 1.582 560 HD2 PHE 69 HD2 PHE 69 5.985 -11.943 3.928 561 HE1 PHE 69 HE1 PHE 69 4.251 -9.910 -0.195 562 HE2 PHE 69 HE2 PHE 69 5.043 -13.371 2.168 563 HZ PHE 69 HZ PHE 69 4.185 -12.364 0.107 564 H ALA 70 H ALA 70 5.151 -10.477 7.096 565 HA ALA 70 HA ALA 70 6.359 -8.668 8.904 566 HB1 ALA 70 HB1 ALA 70 4.482 -10.217 9.506 567 HB2 ALA 70 HB2 ALA 70 5.831 -10.197 10.638 568 HB3 ALA 70 HB3 ALA 70 5.668 -11.519 9.483 569 H ASP 71 H ASP 71 7.730 -10.423 6.718 570 HA ASP 71 HA ASP 71 10.151 -10.883 8.238 571 HB2 ASP 71 HB2 ASP 71 8.843 -12.917 7.390 572 HB3 ASP 71 HB3 ASP 71 9.443 -12.481 5.823 573 HA PRO 72 HA PRO 72 11.913 -8.213 5.063 574 HB2 PRO 72 HB2 PRO 72 14.512 -8.980 6.014 575 HB3 PRO 72 HB3 PRO 72 13.728 -7.426 6.094 576 HG2 PRO 72 HG2 PRO 72 14.215 -8.897 8.300 577 HG3 PRO 72 HG3 PRO 72 12.835 -7.790 8.164 578 HD2 PRO 72 HD2 PRO 72 12.903 -10.762 7.877 579 HD3 PRO 72 HD3 PRO 72 11.684 -9.719 8.641 580 H ALA 73 H ALA 73 12.517 -11.487 5.632 581 HA ALA 73 HA ALA 73 14.313 -11.927 3.453 582 HB1 ALA 73 HB1 ALA 73 12.792 -13.958 5.057 583 HB2 ALA 73 HB2 ALA 73 14.391 -13.331 5.460 584 HB3 ALA 73 HB3 ALA 73 14.161 -14.281 3.992 585 H SER 74 H SER 74 10.921 -12.031 3.945 586 HA SER 74 HA SER 74 10.252 -13.521 1.602 587 HB2 SER 74 HB2 SER 74 8.807 -13.123 3.710 588 HB3 SER 74 HB3 SER 74 8.349 -11.617 2.911 589 HG SER 74 HG SER 74 6.891 -13.150 2.274 590 H VAL 75 H VAL 75 10.767 -10.195 2.316 591 HA VAL 75 HA VAL 75 9.728 -9.074 -0.059 592 HB VAL 75 HB VAL 75 11.946 -7.851 1.577 593 HG11 VAL 75 HG11 VAL 75 11.352 -6.642 -0.461 594 HG12 VAL 75 HG12 VAL 75 10.902 -5.712 0.971 595 HG13 VAL 75 HG13 VAL 75 9.666 -6.577 0.057 596 HG21 VAL 75 HG21 VAL 75 10.234 -8.592 3.157 597 HG22 VAL 75 HG22 VAL 75 9.004 -7.718 2.241 598 HG23 VAL 75 HG23 VAL 75 10.293 -6.832 3.057 599 H ASP 76 H ASP 76 12.737 -10.426 0.900 600 HA ASP 76 HA ASP 76 14.302 -9.656 -1.315 601 HB2 ASP 76 HB2 ASP 76 14.928 -10.580 1.069 602 HB3 ASP 76 HB3 ASP 76 14.848 -12.126 0.255 603 H LYS 77 H LYS 77 12.486 -12.459 -0.425 604 HA LYS 77 HA LYS 77 13.024 -14.115 -2.600 605 HB2 LYS 77 HB2 LYS 77 10.675 -14.076 -0.724 606 HB3 LYS 77 HB3 LYS 77 10.950 -15.346 -1.907 607 HG2 LYS 77 HG2 LYS 77 13.207 -15.686 -0.773 608 HG3 LYS 77 HG3 LYS 77 12.570 -14.679 0.528 609 HD2 LYS 77 HD2 LYS 77 10.715 -16.216 0.846 610 HD3 LYS 77 HD3 LYS 77 11.278 -17.203 -0.504 611 HE2 LYS 77 HE2 LYS 77 13.354 -17.669 0.718 612 HE3 LYS 77 HE3 LYS 77 12.769 -16.700 2.070 613 HZ1 LYS 77 HZ1 LYS 77 10.937 -18.240 2.347 614 HZ2 LYS 77 HZ2 LYS 77 12.411 -19.067 2.434 615 HZ3 LYS 77 HZ3 LYS 77 11.470 -19.161 1.031 616 H VAL 78 H VAL 78 10.427 -11.825 -2.052 617 HA VAL 78 HA VAL 78 9.054 -12.402 -4.491 618 HB VAL 78 HB VAL 78 8.709 -10.064 -2.589 619 HG11 VAL 78 HG11 VAL 78 6.915 -10.956 -4.851 620 HG12 VAL 78 HG12 VAL 78 7.845 -9.459 -4.787 621 HG13 VAL 78 HG13 VAL 78 6.519 -9.721 -3.656 622 HG21 VAL 78 HG21 VAL 78 6.695 -11.285 -1.848 623 HG22 VAL 78 HG22 VAL 78 8.183 -12.176 -1.531 624 HG23 VAL 78 HG23 VAL 78 7.155 -12.632 -2.890 625 H LEU 79 H LEU 79 11.523 -10.124 -3.487 626 HA LEU 79 HA LEU 79 11.423 -8.286 -5.581 627 HB2 LEU 79 HB2 LEU 79 12.720 -8.707 -3.210 628 HB3 LEU 79 HB3 LEU 79 13.999 -8.922 -4.363 629 HG LEU 79 HG LEU 79 13.922 -6.683 -3.426 630 HD11 LEU 79 HD11 LEU 79 13.244 -6.676 -6.359 631 HD12 LEU 79 HD12 LEU 79 14.838 -6.991 -5.674 632 HD13 LEU 79 HD13 LEU 79 14.095 -5.403 -5.483 633 HD21 LEU 79 HD21 LEU 79 12.162 -5.191 -3.601 634 HD22 LEU 79 HD22 LEU 79 11.352 -6.721 -3.250 635 HD23 LEU 79 HD23 LEU 79 11.391 -6.098 -4.901 636 H GLY 80 H GLY 80 13.004 -11.416 -5.226 637 HA2 GLY 80 HA2 GLY 80 14.604 -11.173 -7.563 638 HA3 GLY 80 HA3 GLY 80 14.409 -12.615 -6.600 639 H GLN 81 H GLN 81 11.397 -12.185 -6.948 640 HA GLN 81 HA GLN 81 11.171 -13.580 -9.482 641 HB2 GLN 81 HB2 GLN 81 9.449 -13.283 -7.040 642 HB3 GLN 81 HB3 GLN 81 8.821 -13.963 -8.522 643 HG2 GLN 81 HG2 GLN 81 11.351 -15.062 -7.468 644 HG3 GLN 81 HG3 GLN 81 9.864 -15.471 -6.620 645 HE21 GLN 81 HE21 GLN 81 8.345 -16.774 -7.611 646 HE22 GLN 81 HE22 GLN 81 8.680 -17.669 -9.051 647 HA PRO 82 HA PRO 82 9.564 -9.520 -10.903 648 HB2 PRO 82 HB2 PRO 82 10.182 -10.280 -13.606 649 HB3 PRO 82 HB3 PRO 82 10.988 -9.074 -12.601 650 HG2 PRO 82 HG2 PRO 82 12.155 -11.418 -13.418 651 HG3 PRO 82 HG3 PRO 82 12.648 -10.495 -11.986 652 HD2 PRO 82 HD2 PRO 82 10.961 -12.952 -12.158 653 HD3 PRO 82 HD3 PRO 82 12.179 -12.489 -10.949 654 H HIS 83 H HIS 83 8.912 -12.665 -12.449 655 HA HIS 83 HA HIS 83 6.435 -11.664 -13.605 656 HB2 HIS 83 HB2 HIS 83 8.172 -13.308 -14.679 657 HB3 HIS 83 HB3 HIS 83 7.309 -14.522 -13.745 658 HD1 HIS 83 HD1 HIS 83 6.659 -11.906 -16.406 659 HD2 HIS 83 HD2 HIS 83 4.983 -15.405 -14.914 660 HE1 HIS 83 HE1 HIS 83 4.739 -12.439 -17.939 661 HE2 HIS 83 HE2 HIS 83 3.739 -14.561 -17.020 662 H HIS 84 H HIS 84 4.489 -11.938 -12.744 663 HA HIS 84 HA HIS 84 3.982 -14.031 -10.777 664 HB2 HIS 84 HB2 HIS 84 4.386 -11.395 -10.042 665 HB3 HIS 84 HB3 HIS 84 2.633 -11.526 -10.123 666 HD1 HIS 84 HD1 HIS 84 5.591 -12.652 -8.172 667 HD2 HIS 84 HD2 HIS 84 1.486 -13.291 -8.231 668 HE1 HIS 84 HE1 HIS 84 5.063 -13.823 -6.012 669 HE2 HIS 84 HE2 HIS 84 2.573 -14.206 -6.069 670 H GLU 85 H GLU 85 2.194 -15.068 -11.345 671 HA GLU 85 HA GLU 85 0.289 -13.774 -13.062 672 HB2 GLU 85 HB2 GLU 85 1.814 -15.835 -13.822 673 HB3 GLU 85 HB3 GLU 85 0.504 -16.731 -13.067 674 HG2 GLU 85 HG2 GLU 85 -1.102 -15.714 -14.549 675 HG3 GLU 85 HG3 GLU 85 0.151 -14.692 -15.250 676 H LEU 86 H LEU 86 -1.701 -13.802 -12.535 677 HA LEU 86 HA LEU 86 -2.833 -15.532 -10.531 678 HB2 LEU 86 HB2 LEU 86 -2.273 -13.614 -9.223 679 HB3 LEU 86 HB3 LEU 86 -2.759 -12.531 -10.501 680 HG LEU 86 HG LEU 86 -5.114 -13.484 -10.128 681 HD11 LEU 86 HD11 LEU 86 -3.779 -14.221 -7.531 682 HD12 LEU 86 HD12 LEU 86 -4.644 -15.286 -8.638 683 HD13 LEU 86 HD13 LEU 86 -5.524 -14.058 -7.727 684 HD21 LEU 86 HD21 LEU 86 -5.408 -11.832 -8.187 685 HD22 LEU 86 HD22 LEU 86 -4.786 -11.222 -9.719 686 HD23 LEU 86 HD23 LEU 86 -3.682 -11.525 -8.378 687 H ASP 87 H ASP 87 -4.785 -16.100 -11.101 688 HA ASP 87 HA ASP 87 -6.576 -16.615 -12.379 689 HB2 ASP 87 HB2 ASP 87 -7.090 -14.473 -11.242 690 HB3 ASP 87 HB3 ASP 87 -6.717 -13.661 -12.736 691 H SER 88 H SER 88 -4.183 -16.663 -13.636 692 HA SER 88 HA SER 88 -3.255 -17.162 -15.654 693 HB2 SER 88 HB2 SER 88 -5.531 -18.056 -16.232 694 HB3 SER 88 HB3 SER 88 -5.914 -16.488 -16.942 695 HG SER 88 HG SER 88 -3.954 -18.356 -17.765 696 H LYS 89 H LYS 89 -3.827 -14.216 -14.604 697 HA LYS 89 HA LYS 89 -2.683 -12.953 -16.969 698 HB2 LYS 89 HB2 LYS 89 -3.732 -10.780 -15.913 699 HB3 LYS 89 HB3 LYS 89 -4.648 -11.793 -17.007 700 HG2 LYS 89 HG2 LYS 89 -5.866 -12.763 -15.174 701 HG3 LYS 89 HG3 LYS 89 -4.833 -11.939 -14.001 702 HD2 LYS 89 HD2 LYS 89 -5.642 -9.781 -14.767 703 HD3 LYS 89 HD3 LYS 89 -6.620 -10.566 -16.009 704 HE2 LYS 89 HE2 LYS 89 -6.962 -11.181 -13.090 705 HE3 LYS 89 HE3 LYS 89 -7.794 -9.831 -13.859 706 HZ1 LYS 89 HZ1 LYS 89 -7.995 -12.670 -14.711 707 HZ2 LYS 89 HZ2 LYS 89 -8.835 -11.366 -15.386 708 HZ3 LYS 89 HZ3 LYS 89 -9.153 -11.844 -13.795 709 H THR 90 H THR 90 -1.313 -11.308 -16.621 710 HA THR 90 HA THR 90 0.531 -11.708 -14.445 711 HB THR 90 HB THR 90 0.829 -9.583 -16.555 712 HG1 THR 90 HG1 THR 90 0.922 -11.080 -18.036 713 HG21 THR 90 HG21 THR 90 2.513 -9.704 -14.747 714 HG22 THR 90 HG22 THR 90 3.209 -10.078 -16.324 715 HG23 THR 90 HG23 THR 90 2.846 -11.378 -15.189 716 H ILE 91 H ILE 91 0.691 -10.543 -12.649 717 HA ILE 91 HA ILE 91 -0.635 -7.916 -12.515 718 HB ILE 91 HB ILE 91 -1.077 -8.298 -10.152 719 HG12 ILE 91 HG12 ILE 91 -0.113 -11.098 -10.476 720 HG13 ILE 91 HG13 ILE 91 0.842 -9.859 -9.694 721 HG21 ILE 91 HG21 ILE 91 -2.790 -10.040 -10.401 722 HG22 ILE 91 HG22 ILE 91 -2.038 -10.524 -11.922 723 HG23 ILE 91 HG23 ILE 91 -2.759 -8.922 -11.766 724 HD11 ILE 91 HD11 ILE 91 -0.321 -10.035 -7.785 725 HD12 ILE 91 HD12 ILE 91 -0.901 -11.565 -8.444 726 HD13 ILE 91 HD13 ILE 91 -1.877 -10.095 -8.632 727 H ASP 92 H ASP 92 0.404 -6.447 -10.656 728 HA ASP 92 HA ASP 92 3.312 -6.725 -11.048 729 HB2 ASP 92 HB2 ASP 92 1.996 -4.858 -12.221 730 HB3 ASP 92 HB3 ASP 92 1.914 -4.109 -10.635 731 HA PRO 93 HA PRO 93 3.109 -6.517 -6.453 732 HB2 PRO 93 HB2 PRO 93 5.127 -8.540 -6.274 733 HB3 PRO 93 HB3 PRO 93 3.416 -8.693 -5.863 734 HG2 PRO 93 HG2 PRO 93 4.638 -10.011 -7.955 735 HG3 PRO 93 HG3 PRO 93 2.897 -9.701 -7.828 736 HD2 PRO 93 HD2 PRO 93 4.963 -8.243 -9.419 737 HD3 PRO 93 HD3 PRO 93 3.278 -8.631 -9.832 738 H LYS 94 H LYS 94 4.264 -4.887 -5.569 739 HA LYS 94 HA LYS 94 7.165 -4.827 -5.868 740 HB2 LYS 94 HB2 LYS 94 7.207 -2.450 -6.592 741 HB3 LYS 94 HB3 LYS 94 6.523 -3.531 -7.794 742 HG2 LYS 94 HG2 LYS 94 4.245 -2.785 -6.692 743 HG3 LYS 94 HG3 LYS 94 5.206 -1.391 -6.193 744 HD2 LYS 94 HD2 LYS 94 5.926 -1.576 -8.794 745 HD3 LYS 94 HD3 LYS 94 4.273 -2.190 -8.876 746 HE2 LYS 94 HE2 LYS 94 4.055 0.113 -9.213 747 HE3 LYS 94 HE3 LYS 94 3.633 -0.122 -7.520 748 HZ1 LYS 94 HZ1 LYS 94 6.264 0.803 -8.540 749 HZ2 LYS 94 HZ2 LYS 94 5.883 0.552 -6.913 750 HZ3 LYS 94 HZ3 LYS 94 5.098 1.769 -7.787 751 H VAL 95 H VAL 95 8.274 -3.422 -4.379 752 HA VAL 95 HA VAL 95 6.982 -3.265 -1.822 753 HB VAL 95 HB VAL 95 9.677 -2.176 -2.433 754 HG11 VAL 95 HG11 VAL 95 8.534 -3.338 0.095 755 HG12 VAL 95 HG12 VAL 95 8.786 -1.623 -0.229 756 HG13 VAL 95 HG13 VAL 95 10.170 -2.709 -0.103 757 HG21 VAL 95 HG21 VAL 95 9.025 -5.029 -1.719 758 HG22 VAL 95 HG22 VAL 95 10.644 -4.350 -1.902 759 HG23 VAL 95 HG23 VAL 95 9.574 -4.469 -3.299 760 H ALA 96 H ALA 96 6.056 -1.553 -0.851 761 HA ALA 96 HA ALA 96 6.003 0.990 -2.234 762 HB1 ALA 96 HB1 ALA 96 3.870 -0.080 -1.763 763 HB2 ALA 96 HB2 ALA 96 4.008 1.471 -0.941 764 HB3 ALA 96 HB3 ALA 96 4.225 -0.029 -0.039 765 H PHE 97 H PHE 97 6.137 2.994 -1.096 766 HA PHE 97 HA PHE 97 7.747 2.913 1.356 767 HB2 PHE 97 HB2 PHE 97 7.892 4.467 -1.136 768 HB3 PHE 97 HB3 PHE 97 8.081 5.418 0.327 769 HD1 PHE 97 HD1 PHE 97 9.460 2.701 -1.690 770 HD2 PHE 97 HD2 PHE 97 10.021 5.177 1.724 771 HE1 PHE 97 HE1 PHE 97 11.798 1.938 -1.526 772 HE2 PHE 97 HE2 PHE 97 12.357 4.422 1.896 773 HZ PHE 97 HZ PHE 97 13.248 2.799 0.270 774 HA PRO 98 HA PRO 98 4.056 4.907 3.134 775 HB2 PRO 98 HB2 PRO 98 5.610 5.272 5.584 776 HB3 PRO 98 HB3 PRO 98 4.183 4.266 5.310 777 HG2 PRO 98 HG2 PRO 98 6.605 3.189 5.742 778 HG3 PRO 98 HG3 PRO 98 5.408 2.435 4.669 779 HD2 PRO 98 HD2 PRO 98 7.793 4.098 3.948 780 HD3 PRO 98 HD3 PRO 98 7.203 2.587 3.222 781 H ARG 99 H ARG 99 3.385 6.954 3.219 782 HA ARG 99 HA ARG 99 5.315 9.114 3.732 783 HB2 ARG 99 HB2 ARG 99 3.446 8.876 1.377 784 HB3 ARG 99 HB3 ARG 99 4.116 10.419 1.890 785 HG2 ARG 99 HG2 ARG 99 6.312 9.765 1.371 786 HG3 ARG 99 HG3 ARG 99 5.865 8.063 1.257 787 HD2 ARG 99 HD2 ARG 99 6.152 8.819 -0.962 788 HD3 ARG 99 HD3 ARG 99 4.413 8.703 -0.708 789 HE ARG 99 HE ARG 99 5.183 11.315 -0.110 790 HH11 ARG 99 HH11 ARG 99 5.053 9.229 -2.931 791 HH12 ARG 99 HH12 ARG 99 4.837 10.544 -4.037 792 HH21 ARG 99 HH21 ARG 99 4.751 12.691 -3.268 793 HH22 ARG 99 HH22 ARG 99 4.899 13.023 -1.575 794 H ARG 100 H ARG 100 4.519 10.895 4.769 795 HA ARG 100 HA ARG 100 1.680 10.840 5.585 796 HB2 ARG 100 HB2 ARG 100 4.155 11.282 7.236 797 HB3 ARG 100 HB3 ARG 100 2.601 11.926 7.748 798 HG2 ARG 100 HG2 ARG 100 2.691 9.056 7.023 799 HG3 ARG 100 HG3 ARG 100 3.501 9.537 8.516 800 HD2 ARG 100 HD2 ARG 100 1.389 10.667 9.213 801 HD3 ARG 100 HD3 ARG 100 0.610 9.993 7.781 802 HE ARG 100 HE ARG 100 1.654 7.817 9.004 803 HH11 ARG 100 HH11 ARG 100 -1.229 9.379 11.323 804 HH12 ARG 100 HH12 ARG 100 -0.446 10.387 10.152 805 HH21 ARG 100 HH21 ARG 100 0.627 6.521 10.552 806 HH22 ARG 100 HH22 ARG 100 -0.622 7.192 11.547 807 H ALA 101 H ALA 101 0.583 12.700 5.306 808 HA ALA 101 HA ALA 101 1.872 15.251 5.336 809 HB1 ALA 101 HB1 ALA 101 1.933 15.729 3.153 810 HB2 ALA 101 HB2 ALA 101 0.291 15.137 2.917 811 HB3 ALA 101 HB3 ALA 101 1.647 14.009 2.867 812 H GLN 102 H GLN 102 0.281 17.041 4.905 813 HA GLN 102 HA GLN 102 -1.533 18.232 5.518 814 HB2 GLN 102 HB2 GLN 102 -2.847 15.710 4.572 815 HB3 GLN 102 HB3 GLN 102 -3.808 17.028 5.231 816 HG2 GLN 102 HG2 GLN 102 -2.932 18.536 3.538 817 HG3 GLN 102 HG3 GLN 102 -1.921 17.244 2.894 818 HE21 GLN 102 HE21 GLN 102 -5.147 18.491 3.186 819 HE22 GLN 102 HE22 GLN 102 -5.868 17.478 1.987 820 HA PRO 103 HA PRO 103 -2.387 17.435 9.809 821 HB2 PRO 103 HB2 PRO 103 -4.214 19.338 10.349 822 HB3 PRO 103 HB3 PRO 103 -2.531 19.737 9.979 823 HG2 PRO 103 HG2 PRO 103 -4.930 19.892 8.213 824 HG3 PRO 103 HG3 PRO 103 -3.566 21.017 8.359 825 HD2 PRO 103 HD2 PRO 103 -3.803 19.144 6.365 826 HD3 PRO 103 HD3 PRO 103 -2.263 19.827 6.920 827 H LYS 104 H LYS 104 -4.307 17.189 11.393 828 HA LYS 104 HA LYS 104 -6.125 15.198 10.311 829 HB2 LYS 104 HB2 LYS 104 -5.560 16.162 13.116 830 HB3 LYS 104 HB3 LYS 104 -6.827 15.001 12.750 831 HG2 LYS 104 HG2 LYS 104 -5.173 13.452 11.863 832 HG3 LYS 104 HG3 LYS 104 -3.892 14.622 12.189 833 HD2 LYS 104 HD2 LYS 104 -4.412 14.526 14.580 834 HD3 LYS 104 HD3 LYS 104 -5.696 13.361 14.257 835 HE2 LYS 104 HE2 LYS 104 -3.836 12.102 14.989 836 HE3 LYS 104 HE3 LYS 104 -3.923 11.875 13.243 837 HZ1 LYS 104 HZ1 LYS 104 -2.100 13.749 14.656 838 HZ2 LYS 104 HZ2 LYS 104 -2.182 13.535 12.981 839 HZ3 LYS 104 HZ3 LYS 104 -1.656 12.267 13.969 840 H MET 105 H MET 105 -8.409 15.219 10.657 841 HA MET 105 HA MET 105 -9.586 17.868 10.378 842 HB2 MET 105 HB2 MET 105 -10.659 15.080 9.962 843 HB3 MET 105 HB3 MET 105 -11.677 16.509 9.864 844 HG2 MET 105 HG2 MET 105 -9.202 16.291 8.206 845 HG3 MET 105 HG3 MET 105 -10.692 15.500 7.702 846 HE1 MET 105 HE1 MET 105 -9.295 19.320 8.626 847 HE2 MET 105 HE2 MET 105 -9.468 19.681 6.910 848 HE3 MET 105 HE3 MET 105 -8.526 18.285 7.425 849 H VAL 106 H VAL 106 -11.612 18.402 11.488 850 HA VAL 106 HA VAL 106 -11.496 17.660 14.308 851 HB VAL 106 HB VAL 106 -13.313 19.776 13.168 852 HG11 VAL 106 HG11 VAL 106 -11.926 19.496 15.836 853 HG12 VAL 106 HG12 VAL 106 -13.641 19.238 15.510 854 HG13 VAL 106 HG13 VAL 106 -12.948 20.852 15.360 855 HG21 VAL 106 HG21 VAL 106 -11.094 20.254 12.254 856 HG22 VAL 106 HG22 VAL 106 -10.412 20.203 13.879 857 HG23 VAL 106 HG23 VAL 106 -11.570 21.461 13.449 858 H THR 107 H THR 107 -13.651 17.405 15.452 859 HA THR 107 HA THR 107 -15.360 15.665 13.905 860 HB THR 107 HB THR 107 -15.444 15.911 16.899 861 HG1 THR 107 HG1 THR 107 -13.878 13.925 15.668 862 HG21 THR 107 HG21 THR 107 -16.232 13.608 16.814 863 HG22 THR 107 HG22 THR 107 -16.008 13.571 15.066 864 HG23 THR 107 HG23 THR 107 -17.236 14.620 15.775 865 H ARG 108 H ARG 108 -15.515 18.376 16.185 866 HA ARG 108 HA ARG 108 -18.367 18.743 15.636 867 HB2 ARG 108 HB2 ARG 108 -16.488 19.731 17.740 868 HB3 ARG 108 HB3 ARG 108 -17.935 20.666 17.391 869 HG2 ARG 108 HG2 ARG 108 -19.321 18.716 17.874 870 HG3 ARG 108 HG3 ARG 108 -17.870 17.770 18.217 871 HD2 ARG 108 HD2 ARG 108 -17.440 18.899 20.186 872 HD3 ARG 108 HD3 ARG 108 -18.332 20.333 19.678 873 HE ARG 108 HE ARG 108 -20.307 18.568 19.879 874 HH11 ARG 108 HH11 ARG 108 -17.672 19.199 22.115 875 HH12 ARG 108 HH12 ARG 108 -18.591 18.737 23.508 876 HH21 ARG 108 HH21 ARG 108 -20.754 18.048 23.282 877 HH22 ARG 108 HH22 ARG 108 -21.494 17.979 21.717 878 H THR 109 H THR 109 -19.083 20.170 14.215 879 HA THR 109 HA THR 109 -17.220 22.141 13.090 880 HB THR 109 HB THR 109 -19.019 22.397 11.308 881 HG1 THR 109 HG1 THR 109 -20.418 20.483 11.200 882 HG21 THR 109 HG21 THR 109 -17.684 19.708 11.647 883 HG22 THR 109 HG22 THR 109 -16.999 21.133 10.863 884 HG23 THR 109 HG23 THR 109 -18.383 20.310 10.143 885 H LYS 110 H LYS 110 -17.380 24.199 13.668 886 HA LYS 110 HA LYS 110 -19.691 25.150 15.094 887 HB2 LYS 110 HB2 LYS 110 -16.926 26.218 14.669 888 HB3 LYS 110 HB3 LYS 110 -18.199 27.261 15.283 889 HG2 LYS 110 HG2 LYS 110 -18.535 25.718 17.165 890 HG3 LYS 110 HG3 LYS 110 -17.216 24.715 16.556 891 HD2 LYS 110 HD2 LYS 110 -15.648 26.532 16.855 892 HD3 LYS 110 HD3 LYS 110 -16.952 27.617 17.341 893 HE2 LYS 110 HE2 LYS 110 -17.385 26.216 19.299 894 HE3 LYS 110 HE3 LYS 110 -16.087 25.128 18.811 895 HZ1 LYS 110 HZ1 LYS 110 -14.516 26.945 19.066 896 HZ2 LYS 110 HZ2 LYS 110 -15.352 26.676 20.512 897 HZ3 LYS 110 HZ3 LYS 110 -15.762 27.992 19.530 898 H LYS 111 H LYS 111 -20.960 26.901 14.481 899 HA LYS 111 HA LYS 111 -21.135 27.379 11.665 900 HB2 LYS 111 HB2 LYS 111 -22.868 28.018 14.017 901 HB3 LYS 111 HB3 LYS 111 -23.145 28.828 12.481 902 HG2 LYS 111 HG2 LYS 111 -23.573 26.745 11.385 903 HG3 LYS 111 HG3 LYS 111 -23.091 25.838 12.819 904 HD2 LYS 111 HD2 LYS 111 -24.986 26.622 14.042 905 HD3 LYS 111 HD3 LYS 111 -25.396 27.779 12.776 906 HE2 LYS 111 HE2 LYS 111 -25.954 25.996 11.258 907 HE3 LYS 111 HE3 LYS 111 -25.390 24.786 12.409 908 HZ1 LYS 111 HZ1 LYS 111 -27.652 26.641 12.916 909 HZ2 LYS 111 HZ2 LYS 111 -27.167 25.342 13.885 910 HZ3 LYS 111 HZ3 LYS 111 -27.831 25.054 12.357 Start of MODEL 7 1 H1 MET -3 H1 MET -3 13.353 -21.601 -12.122 2 H2 MET -3 H2 MET -3 12.480 -22.835 -11.364 3 H3 MET -3 H3 MET -3 12.606 -22.802 -13.050 4 HA MET -3 HA MET -3 14.057 -24.478 -12.122 5 HB2 MET -3 HB2 MET -3 15.341 -22.059 -13.382 6 HB3 MET -3 HB3 MET -3 16.249 -23.529 -13.059 7 HG2 MET -3 HG2 MET -3 13.790 -23.357 -14.786 8 HG3 MET -3 HG3 MET -3 15.450 -23.380 -15.377 9 HE1 MET -3 HE1 MET -3 13.206 -25.419 -16.383 10 HE2 MET -3 HE2 MET -3 14.128 -26.923 -16.402 11 HE3 MET -3 HE3 MET -3 14.871 -25.425 -16.962 12 H HIS -2 H HIS -2 15.384 -25.153 -10.539 13 HA HIS -2 HA HIS -2 16.328 -23.143 -8.596 14 HB2 HIS -2 HB2 HIS -2 15.281 -25.939 -8.164 15 HB3 HIS -2 HB3 HIS -2 16.210 -25.086 -6.937 16 HD1 HIS -2 HD1 HIS -2 15.098 -22.737 -6.138 17 HD2 HIS -2 HD2 HIS -2 12.615 -25.410 -8.128 18 HE1 HIS -2 HE1 HIS -2 12.753 -22.001 -5.606 19 HE2 HIS -2 HE2 HIS -2 11.265 -23.630 -6.823 20 H HIS -1 H HIS -1 18.347 -23.417 -7.656 21 HA HIS -1 HA HIS -1 20.139 -25.308 -9.038 22 HB2 HIS -1 HB2 HIS -1 20.587 -22.472 -8.132 23 HB3 HIS -1 HB3 HIS -1 21.938 -23.565 -8.418 24 HD1 HIS -1 HD1 HIS -1 19.000 -22.048 -10.273 25 HD2 HIS -1 HD2 HIS -1 22.709 -23.764 -11.024 26 HE1 HIS -1 HE1 HIS -1 19.399 -21.735 -12.737 27 HE2 HIS -1 HE2 HIS -1 21.651 -22.781 -13.170 28 H HIS 0 H HIS 0 19.487 -23.639 -5.973 29 HA HIS 0 HA HIS 0 21.197 -25.571 -4.566 30 HB2 HIS 0 HB2 HIS 0 20.177 -22.839 -3.820 31 HB3 HIS 0 HB3 HIS 0 20.827 -23.939 -2.610 32 HD1 HIS 0 HD1 HIS 0 21.822 -21.519 -5.178 33 HD2 HIS 0 HD2 HIS 0 23.621 -24.572 -3.007 34 HE1 HIS 0 HE1 HIS 0 24.297 -21.153 -5.428 35 HE2 HIS 0 HE2 HIS 0 25.368 -23.011 -4.106 36 H HIS 1 H HIS 1 20.436 -26.787 -2.860 37 HA HIS 1 HA HIS 1 17.513 -27.061 -2.725 38 HB2 HIS 1 HB2 HIS 1 19.756 -29.000 -2.189 39 HB3 HIS 1 HB3 HIS 1 18.105 -29.321 -1.674 40 HD1 HIS 1 HD1 HIS 1 20.192 -28.924 -4.783 41 HD2 HIS 1 HD2 HIS 1 16.386 -30.167 -3.667 42 HE1 HIS 1 HE1 HIS 1 19.195 -29.969 -6.841 43 HE2 HIS 1 HE2 HIS 1 16.891 -30.716 -6.144 44 H HIS 2 H HIS 2 20.411 -26.799 -0.703 45 HA HIS 2 HA HIS 2 18.759 -26.597 1.706 46 HB2 HIS 2 HB2 HIS 2 21.671 -27.091 1.213 47 HB3 HIS 2 HB3 HIS 2 21.143 -26.484 2.778 48 HD1 HIS 2 HD1 HIS 2 19.068 -28.050 3.822 49 HD2 HIS 2 HD2 HIS 2 21.704 -29.790 1.120 50 HE1 HIS 2 HE1 HIS 2 18.854 -30.530 4.175 51 HE2 HIS 2 HE2 HIS 2 20.459 -31.565 2.532 52 H HIS 3 H HIS 3 18.677 -24.821 3.002 53 HA HIS 3 HA HIS 3 20.069 -22.386 2.104 54 HB2 HIS 3 HB2 HIS 3 17.153 -22.678 2.841 55 HB3 HIS 3 HB3 HIS 3 17.972 -21.121 2.783 56 HD1 HIS 3 HD1 HIS 3 18.920 -20.423 0.368 57 HD2 HIS 3 HD2 HIS 3 16.224 -23.585 0.438 58 HE1 HIS 3 HE1 HIS 3 18.121 -20.677 -2.003 59 HE2 HIS 3 HE2 HIS 3 16.488 -22.596 -1.938 60 H SER 4 H SER 4 20.892 -21.105 3.686 61 HA SER 4 HA SER 4 20.849 -22.181 6.403 62 HB2 SER 4 HB2 SER 4 22.589 -20.046 5.151 63 HB3 SER 4 HB3 SER 4 22.762 -20.665 6.793 64 HG SER 4 HG SER 4 22.727 -22.535 4.734 65 H THR 5 H THR 5 19.805 -21.278 8.042 66 HA THR 5 HA THR 5 18.563 -18.646 7.653 67 HB THR 5 HB THR 5 16.909 -20.341 8.089 68 HG1 THR 5 HG1 THR 5 17.265 -18.873 10.501 69 HG21 THR 5 HG21 THR 5 18.422 -21.002 10.623 70 HG22 THR 5 HG22 THR 5 18.246 -22.041 9.208 71 HG23 THR 5 HG23 THR 5 16.836 -21.637 10.187 72 H SER 6 H SER 6 18.884 -16.973 9.038 73 HA SER 6 HA SER 6 21.155 -17.212 10.861 74 HB2 SER 6 HB2 SER 6 19.677 -14.756 9.883 75 HB3 SER 6 HB3 SER 6 21.141 -14.748 10.866 76 HG SER 6 HG SER 6 21.172 -14.631 8.362 77 H VAL 7 H VAL 7 21.124 -16.607 13.013 78 HA VAL 7 HA VAL 7 18.488 -16.701 14.313 79 HB VAL 7 HB VAL 7 21.177 -16.906 15.702 80 HG11 VAL 7 HG11 VAL 7 19.878 -18.071 17.449 81 HG12 VAL 7 HG12 VAL 7 18.402 -17.761 16.536 82 HG13 VAL 7 HG13 VAL 7 19.330 -16.414 17.193 83 HG21 VAL 7 HG21 VAL 7 21.127 -18.698 14.090 84 HG22 VAL 7 HG22 VAL 7 19.494 -19.148 14.580 85 HG23 VAL 7 HG23 VAL 7 20.842 -19.366 15.698 86 H ASP 8 H ASP 8 17.613 -14.942 15.190 87 HA ASP 8 HA ASP 8 19.077 -12.428 15.202 88 HB2 ASP 8 HB2 ASP 8 16.180 -13.138 15.660 89 HB3 ASP 8 HB3 ASP 8 16.801 -11.505 15.887 90 H LEU 9 H LEU 9 19.284 -11.057 16.990 91 HA LEU 9 HA LEU 9 19.094 -12.352 19.623 92 HB2 LEU 9 HB2 LEU 9 21.403 -11.693 18.519 93 HB3 LEU 9 HB3 LEU 9 20.978 -10.094 19.077 94 HG LEU 9 HG LEU 9 22.533 -11.154 20.607 95 HD11 LEU 9 HD11 LEU 9 20.969 -9.625 21.618 96 HD12 LEU 9 HD12 LEU 9 21.330 -10.948 22.727 97 HD13 LEU 9 HD13 LEU 9 19.801 -10.927 21.850 98 HD21 LEU 9 HD21 LEU 9 22.050 -13.148 21.865 99 HD22 LEU 9 HD22 LEU 9 21.957 -13.499 20.138 100 HD23 LEU 9 HD23 LEU 9 20.478 -13.308 21.081 101 H GLY 10 H GLY 10 18.749 -9.413 17.822 102 HA2 GLY 10 HA2 GLY 10 16.924 -7.899 18.157 103 HA3 GLY 10 HA3 GLY 10 16.908 -8.354 19.855 104 H THR 11 H THR 11 19.016 -6.839 17.429 105 HA THR 11 HA THR 11 19.909 -4.917 19.483 106 HB THR 11 HB THR 11 22.044 -4.721 18.254 107 HG1 THR 11 HG1 THR 11 22.495 -6.167 16.571 108 HG21 THR 11 HG21 THR 11 22.023 -6.255 20.103 109 HG22 THR 11 HG22 THR 11 22.945 -6.993 18.792 110 HG23 THR 11 HG23 THR 11 21.286 -7.511 19.106 111 H GLU 12 H GLU 12 18.601 -5.456 16.360 112 HA GLU 12 HA GLU 12 18.609 -2.589 15.746 113 HB2 GLU 12 HB2 GLU 12 19.930 -3.909 14.152 114 HB3 GLU 12 HB3 GLU 12 18.546 -4.947 13.856 115 HG2 GLU 12 HG2 GLU 12 17.351 -3.149 12.828 116 HG3 GLU 12 HG3 GLU 12 18.627 -2.006 13.241 117 H ASN 13 H ASN 13 16.790 -5.535 15.259 118 HA ASN 13 HA ASN 13 14.303 -4.218 14.762 119 HB2 ASN 13 HB2 ASN 13 15.205 -6.472 13.804 120 HB3 ASN 13 HB3 ASN 13 14.592 -7.159 15.294 121 HD21 ASN 13 HD21 ASN 13 13.995 -7.346 12.434 122 HD22 ASN 13 HD22 ASN 13 12.313 -7.105 12.339 123 H LEU 14 H LEU 14 15.056 -3.277 17.130 124 HA LEU 14 HA LEU 14 13.984 -4.782 19.340 125 HB2 LEU 14 HB2 LEU 14 14.636 -1.853 19.403 126 HB3 LEU 14 HB3 LEU 14 14.611 -2.978 20.743 127 HG LEU 14 HG LEU 14 16.562 -4.079 19.199 128 HD11 LEU 14 HD11 LEU 14 16.324 -2.112 17.642 129 HD12 LEU 14 HD12 LEU 14 17.949 -2.402 18.268 130 HD13 LEU 14 HD13 LEU 14 16.961 -1.108 18.946 131 HD21 LEU 14 HD21 LEU 14 16.809 -1.951 21.319 132 HD22 LEU 14 HD22 LEU 14 18.140 -2.962 20.754 133 HD23 LEU 14 HD23 LEU 14 16.754 -3.698 21.561 134 H TYR 15 H TYR 15 12.858 -2.306 17.232 135 HA TYR 15 HA TYR 15 10.505 -1.673 18.776 136 HB2 TYR 15 HB2 TYR 15 9.910 -0.217 16.832 137 HB3 TYR 15 HB3 TYR 15 11.473 0.143 17.542 138 HD1 TYR 15 HD1 TYR 15 13.556 -0.758 16.332 139 HD2 TYR 15 HD2 TYR 15 9.704 -0.603 14.534 140 HE1 TYR 15 HE1 TYR 15 14.596 -0.888 14.110 141 HE2 TYR 15 HE2 TYR 15 10.734 -0.735 12.305 142 HH TYR 15 HH TYR 15 14.040 -1.514 11.851 143 H PHE 16 H PHE 16 8.712 -2.811 18.733 144 HA PHE 16 HA PHE 16 8.371 -4.992 16.919 145 HB2 PHE 16 HB2 PHE 16 7.923 -4.739 19.504 146 HB3 PHE 16 HB3 PHE 16 6.324 -4.265 18.942 147 HD1 PHE 16 HD1 PHE 16 8.740 -6.993 19.205 148 HD2 PHE 16 HD2 PHE 16 4.850 -5.874 17.892 149 HE1 PHE 16 HE1 PHE 16 8.133 -9.368 18.996 150 HE2 PHE 16 HE2 PHE 16 4.237 -8.248 17.679 151 HZ PHE 16 HZ PHE 16 5.879 -9.997 18.231 152 H GLN 17 H GLN 17 7.255 -1.759 17.064 153 HA GLN 17 HA GLN 17 4.861 -2.276 15.463 154 HB2 GLN 17 HB2 GLN 17 5.974 0.249 16.703 155 HB3 GLN 17 HB3 GLN 17 4.564 0.234 15.653 156 HG2 GLN 17 HG2 GLN 17 4.662 -1.502 18.085 157 HG3 GLN 17 HG3 GLN 17 4.242 0.205 18.217 158 HE21 GLN 17 HE21 GLN 17 3.263 -2.909 17.029 159 HE22 GLN 17 HE22 GLN 17 1.623 -2.490 16.681 160 H SER 18 H SER 18 5.222 -2.610 13.366 161 HA SER 18 HA SER 18 7.114 -0.843 11.952 162 HB2 SER 18 HB2 SER 18 7.827 -3.250 12.104 163 HB3 SER 18 HB3 SER 18 6.401 -3.674 11.158 164 HG SER 18 HG SER 18 8.267 -3.414 9.851 165 H ASN 19 H ASN 19 6.436 0.182 10.151 166 HA ASN 19 HA ASN 19 3.682 -0.330 9.228 167 HB2 ASN 19 HB2 ASN 19 5.200 2.268 9.482 168 HB3 ASN 19 HB3 ASN 19 3.758 2.123 8.494 169 HD21 ASN 19 HD21 ASN 19 4.440 3.681 10.814 170 HD22 ASN 19 HD22 ASN 19 3.232 3.328 11.965 171 H ALA 20 H ALA 20 6.920 0.725 8.235 172 HA ALA 20 HA ALA 20 6.319 0.362 5.411 173 HB1 ALA 20 HB1 ALA 20 8.590 1.214 5.041 174 HB2 ALA 20 HB2 ALA 20 8.865 1.234 6.782 175 HB3 ALA 20 HB3 ALA 20 7.648 2.292 6.069 176 H GLY 21 H GLY 21 7.325 -1.144 4.072 177 HA2 GLY 21 HA2 GLY 21 9.176 -2.852 3.947 178 HA3 GLY 21 HA3 GLY 21 8.545 -3.444 5.475 179 H LYS 22 H LYS 22 5.883 -2.506 3.844 180 HA LYS 22 HA LYS 22 5.272 -5.211 3.019 181 HB2 LYS 22 HB2 LYS 22 2.957 -4.423 2.792 182 HB3 LYS 22 HB3 LYS 22 3.630 -4.053 4.367 183 HG2 LYS 22 HG2 LYS 22 4.152 -1.741 3.167 184 HG3 LYS 22 HG3 LYS 22 2.762 -2.242 2.200 185 HD2 LYS 22 HD2 LYS 22 1.450 -2.544 4.253 186 HD3 LYS 22 HD3 LYS 22 2.838 -2.029 5.214 187 HE2 LYS 22 HE2 LYS 22 2.781 0.150 4.037 188 HE3 LYS 22 HE3 LYS 22 1.322 -0.377 3.198 189 HZ1 LYS 22 HZ1 LYS 22 0.215 -0.595 5.336 190 HZ2 LYS 22 HZ2 LYS 22 0.790 0.982 5.122 191 HZ3 LYS 22 HZ3 LYS 22 1.615 -0.088 6.139 192 H MET 23 H MET 23 3.788 -5.307 0.917 193 HA MET 23 HA MET 23 5.167 -3.901 -1.196 194 HB2 MET 23 HB2 MET 23 4.617 -6.774 -0.786 195 HB3 MET 23 HB3 MET 23 4.424 -6.161 -2.412 196 HG2 MET 23 HG2 MET 23 6.746 -5.196 -2.201 197 HG3 MET 23 HG3 MET 23 6.889 -6.124 -0.711 198 HE1 MET 23 HE1 MET 23 7.239 -7.561 -4.987 199 HE2 MET 23 HE2 MET 23 8.234 -6.330 -4.212 200 HE3 MET 23 HE3 MET 23 6.505 -6.051 -4.447 201 H PHE 24 H PHE 24 4.059 -3.566 -3.020 202 HA PHE 24 HA PHE 24 1.190 -3.060 -2.813 203 HB2 PHE 24 HB2 PHE 24 2.906 -1.174 -3.169 204 HB3 PHE 24 HB3 PHE 24 3.189 -1.846 -4.761 205 HD1 PHE 24 HD1 PHE 24 2.398 0.959 -4.190 206 HD2 PHE 24 HD2 PHE 24 0.008 -2.475 -4.988 207 HE1 PHE 24 HE1 PHE 24 0.615 2.407 -5.071 208 HE2 PHE 24 HE2 PHE 24 -1.759 -1.025 -5.873 209 HZ PHE 24 HZ PHE 24 -1.470 1.413 -5.912 210 H ILE 25 H ILE 25 0.166 -4.775 -3.749 211 HA ILE 25 HA ILE 25 1.274 -6.113 -6.071 212 HB ILE 25 HB ILE 25 -1.223 -6.972 -4.820 213 HG12 ILE 25 HG12 ILE 25 0.221 -6.385 -2.893 214 HG13 ILE 25 HG13 ILE 25 -0.179 -8.082 -2.958 215 HG21 ILE 25 HG21 ILE 25 1.119 -8.398 -6.023 216 HG22 ILE 25 HG22 ILE 25 -0.527 -8.290 -6.642 217 HG23 ILE 25 HG23 ILE 25 -0.189 -9.242 -5.199 218 HD11 ILE 25 HD11 ILE 25 2.140 -7.681 -2.271 219 HD12 ILE 25 HD12 ILE 25 2.450 -6.880 -3.811 220 HD13 ILE 25 HD13 ILE 25 2.058 -8.599 -3.775 221 H GLY 26 H GLY 26 0.750 -5.256 -7.923 222 HA2 GLY 26 HA2 GLY 26 -1.805 -3.996 -8.312 223 HA3 GLY 26 HA3 GLY 26 -0.419 -3.728 -9.306 224 H GLY 27 H GLY 27 -2.963 -4.137 -10.250 225 HA2 GLY 27 HA2 GLY 27 -3.890 -5.167 -12.089 226 HA3 GLY 27 HA3 GLY 27 -2.475 -6.194 -12.167 227 H LEU 28 H LEU 28 -4.291 -6.200 -9.185 228 HA LEU 28 HA LEU 28 -4.711 -8.944 -9.186 229 HB2 LEU 28 HB2 LEU 28 -6.339 -6.873 -7.689 230 HB3 LEU 28 HB3 LEU 28 -6.191 -8.567 -7.278 231 HG LEU 28 HG LEU 28 -3.809 -6.718 -7.260 232 HD11 LEU 28 HD11 LEU 28 -5.650 -7.351 -4.955 233 HD12 LEU 28 HD12 LEU 28 -5.561 -5.802 -5.794 234 HD13 LEU 28 HD13 LEU 28 -4.170 -6.394 -4.888 235 HD21 LEU 28 HD21 LEU 28 -3.496 -9.216 -7.233 236 HD22 LEU 28 HD22 LEU 28 -4.338 -9.233 -5.686 237 HD23 LEU 28 HD23 LEU 28 -2.817 -8.361 -5.851 238 H SER 29 H SER 29 -7.034 -9.936 -8.971 239 HA SER 29 HA SER 29 -8.588 -9.084 -11.273 240 HB2 SER 29 HB2 SER 29 -7.562 -11.442 -11.093 241 HB3 SER 29 HB3 SER 29 -8.789 -11.752 -9.866 242 HG SER 29 HG SER 29 -9.679 -10.635 -12.242 243 H TRP 30 H TRP 30 -10.920 -9.824 -10.970 244 HA TRP 30 HA TRP 30 -12.147 -8.216 -9.011 245 HB2 TRP 30 HB2 TRP 30 -14.210 -8.928 -10.118 246 HB3 TRP 30 HB3 TRP 30 -13.012 -8.460 -11.298 247 HD1 TRP 30 HD1 TRP 30 -11.425 -11.069 -11.765 248 HE1 TRP 30 HE1 TRP 30 -12.499 -13.171 -12.738 249 HE3 TRP 30 HE3 TRP 30 -16.344 -10.062 -10.729 250 HZ2 TRP 30 HZ2 TRP 30 -15.038 -14.266 -13.069 251 HZ3 TRP 30 HZ3 TRP 30 -18.035 -11.711 -11.427 252 HH2 TRP 30 HH2 TRP 30 -17.396 -13.769 -12.575 253 H GLN 31 H GLN 31 -11.134 -11.434 -9.119 254 HA GLN 31 HA GLN 31 -13.001 -12.438 -7.126 255 HB2 GLN 31 HB2 GLN 31 -10.914 -13.705 -8.869 256 HB3 GLN 31 HB3 GLN 31 -11.773 -14.602 -7.621 257 HG2 GLN 31 HG2 GLN 31 -13.905 -14.028 -8.766 258 HG3 GLN 31 HG3 GLN 31 -12.957 -13.285 -10.056 259 HE21 GLN 31 HE21 GLN 31 -13.750 -16.264 -8.443 260 HE22 GLN 31 HE22 GLN 31 -13.252 -17.321 -9.712 261 H THR 32 H THR 32 -9.739 -11.413 -7.497 262 HA THR 32 HA THR 32 -8.536 -12.709 -5.319 263 HB THR 32 HB THR 32 -7.648 -10.050 -6.201 264 HG1 THR 32 HG1 THR 32 -8.173 -12.117 -7.856 265 HG21 THR 32 HG21 THR 32 -6.265 -11.181 -4.570 266 HG22 THR 32 HG22 THR 32 -5.419 -11.153 -6.116 267 HG23 THR 32 HG23 THR 32 -6.218 -12.627 -5.576 268 H SER 33 H SER 33 -9.088 -12.551 -3.283 269 HA SER 33 HA SER 33 -10.078 -10.032 -2.138 270 HB2 SER 33 HB2 SER 33 -10.240 -12.899 -1.182 271 HB3 SER 33 HB3 SER 33 -10.800 -11.523 -0.236 272 HG SER 33 HG SER 33 -11.779 -11.510 -2.777 273 HA PRO 34 HA PRO 34 -6.354 -9.327 0.232 274 HB2 PRO 34 HB2 PRO 34 -7.296 -8.990 2.820 275 HB3 PRO 34 HB3 PRO 34 -7.230 -7.713 1.595 276 HG2 PRO 34 HG2 PRO 34 -9.543 -9.416 2.414 277 HG3 PRO 34 HG3 PRO 34 -9.502 -7.689 2.001 278 HD2 PRO 34 HD2 PRO 34 -10.416 -9.477 0.254 279 HD3 PRO 34 HD3 PRO 34 -9.442 -8.096 -0.280 280 H ASP 35 H ASP 35 -8.593 -11.703 1.298 281 HA ASP 35 HA ASP 35 -6.775 -13.153 2.986 282 HB2 ASP 35 HB2 ASP 35 -9.545 -13.336 2.218 283 HB3 ASP 35 HB3 ASP 35 -8.788 -14.886 2.451 284 H SER 36 H SER 36 -7.914 -13.197 -0.256 285 HA SER 36 HA SER 36 -6.843 -15.717 -1.073 286 HB2 SER 36 HB2 SER 36 -8.710 -14.522 -2.258 287 HB3 SER 36 HB3 SER 36 -7.534 -13.333 -2.813 288 HG SER 36 HG SER 36 -7.901 -14.986 -4.360 289 H LEU 37 H LEU 37 -5.734 -12.359 -1.037 290 HA LEU 37 HA LEU 37 -3.327 -12.741 -2.450 291 HB2 LEU 37 HB2 LEU 37 -4.903 -10.719 -1.141 292 HB3 LEU 37 HB3 LEU 37 -3.238 -10.547 -0.728 293 HG LEU 37 HG LEU 37 -4.248 -10.672 -3.546 294 HD11 LEU 37 HD11 LEU 37 -3.619 -8.267 -1.848 295 HD12 LEU 37 HD12 LEU 37 -5.207 -8.767 -2.432 296 HD13 LEU 37 HD13 LEU 37 -3.977 -8.233 -3.576 297 HD21 LEU 37 HD21 LEU 37 -2.081 -9.603 -4.080 298 HD22 LEU 37 HD22 LEU 37 -1.900 -11.215 -3.394 299 HD23 LEU 37 HD23 LEU 37 -1.602 -9.793 -2.397 300 H ARG 38 H ARG 38 -4.329 -12.741 0.923 301 HA ARG 38 HA ARG 38 -1.794 -12.949 2.105 302 HB2 ARG 38 HB2 ARG 38 -4.251 -12.403 3.071 303 HB3 ARG 38 HB3 ARG 38 -4.140 -14.102 3.508 304 HG2 ARG 38 HG2 ARG 38 -2.061 -13.648 4.725 305 HG3 ARG 38 HG3 ARG 38 -2.192 -11.943 4.296 306 HD2 ARG 38 HD2 ARG 38 -4.326 -13.421 5.823 307 HD3 ARG 38 HD3 ARG 38 -2.993 -12.577 6.610 308 HE ARG 38 HE ARG 38 -4.447 -10.932 4.758 309 HH11 ARG 38 HH11 ARG 38 -4.397 -12.083 8.076 310 HH12 ARG 38 HH12 ARG 38 -5.325 -10.747 8.672 311 HH21 ARG 38 HH21 ARG 38 -6.036 -9.115 7.249 312 HH22 ARG 38 HH22 ARG 38 -5.655 -9.197 5.562 313 H ASP 39 H ASP 39 -4.323 -15.255 1.179 314 HA ASP 39 HA ASP 39 -3.033 -17.608 1.988 315 HB2 ASP 39 HB2 ASP 39 -5.380 -16.886 0.433 316 HB3 ASP 39 HB3 ASP 39 -4.587 -18.322 -0.207 317 H TYR 40 H TYR 40 -2.908 -15.784 -1.054 318 HA TYR 40 HA TYR 40 -1.431 -17.691 -2.539 319 HB2 TYR 40 HB2 TYR 40 -2.603 -15.099 -2.972 320 HB3 TYR 40 HB3 TYR 40 -0.965 -15.122 -3.609 321 HD1 TYR 40 HD1 TYR 40 -0.380 -17.196 -5.117 322 HD2 TYR 40 HD2 TYR 40 -4.337 -15.871 -4.297 323 HE1 TYR 40 HE1 TYR 40 -1.176 -18.341 -7.144 324 HE2 TYR 40 HE2 TYR 40 -5.146 -17.018 -6.316 325 HH TYR 40 HH TYR 40 -3.264 -19.267 -8.036 326 H PHE 41 H PHE 41 -0.541 -14.615 -0.993 327 HA PHE 41 HA PHE 41 2.198 -14.794 -1.583 328 HB2 PHE 41 HB2 PHE 41 0.433 -12.971 -0.137 329 HB3 PHE 41 HB3 PHE 41 2.147 -12.829 0.148 330 HD1 PHE 41 HD1 PHE 41 -0.381 -12.979 -2.573 331 HD2 PHE 41 HD2 PHE 41 3.478 -11.634 -1.386 332 HE1 PHE 41 HE1 PHE 41 -0.137 -11.769 -4.707 333 HE2 PHE 41 HE2 PHE 41 3.716 -10.418 -3.501 334 HZ PHE 41 HZ PHE 41 1.911 -10.490 -5.170 335 H SER 42 H SER 42 0.307 -15.985 1.096 336 HA SER 42 HA SER 42 2.319 -16.131 3.084 337 HB2 SER 42 HB2 SER 42 0.871 -17.946 4.092 338 HB3 SER 42 HB3 SER 42 0.034 -16.425 3.791 339 HG SER 42 HG SER 42 -0.119 -17.986 1.614 340 H LYS 43 H LYS 43 1.851 -17.601 0.246 341 HA LYS 43 HA LYS 43 3.057 -20.153 0.715 342 HB2 LYS 43 HB2 LYS 43 1.926 -18.696 -1.617 343 HB3 LYS 43 HB3 LYS 43 2.948 -20.079 -1.902 344 HG2 LYS 43 HG2 LYS 43 1.025 -20.768 0.087 345 HG3 LYS 43 HG3 LYS 43 0.202 -20.047 -1.295 346 HD2 LYS 43 HD2 LYS 43 1.264 -21.641 -2.790 347 HD3 LYS 43 HD3 LYS 43 2.180 -22.322 -1.446 348 HE2 LYS 43 HE2 LYS 43 0.365 -23.791 -1.816 349 HE3 LYS 43 HE3 LYS 43 -0.036 -22.868 -0.369 350 HZ1 LYS 43 HZ1 LYS 43 -1.440 -21.434 -1.726 351 HZ2 LYS 43 HZ2 LYS 43 -1.935 -23.047 -1.841 352 HZ3 LYS 43 HZ3 LYS 43 -1.065 -22.339 -3.107 353 H PHE 44 H PHE 44 4.228 -17.043 0.183 354 HA PHE 44 HA PHE 44 6.803 -17.967 -0.900 355 HB2 PHE 44 HB2 PHE 44 5.216 -15.766 -1.537 356 HB3 PHE 44 HB3 PHE 44 6.597 -15.130 -0.660 357 HD1 PHE 44 HD1 PHE 44 8.854 -15.344 -1.548 358 HD2 PHE 44 HD2 PHE 44 5.477 -16.817 -3.682 359 HE1 PHE 44 HE1 PHE 44 10.234 -15.571 -3.578 360 HE2 PHE 44 HE2 PHE 44 6.852 -17.045 -5.707 361 HZ PHE 44 HZ PHE 44 9.227 -16.434 -5.650 362 H GLY 45 H GLY 45 5.250 -16.344 1.751 363 HA2 GLY 45 HA2 GLY 45 7.303 -16.926 3.585 364 HA3 GLY 45 HA3 GLY 45 7.250 -15.217 3.183 365 H GLU 46 H GLU 46 6.666 -14.944 5.418 366 HA GLU 46 HA GLU 46 3.970 -15.657 6.071 367 HB2 GLU 46 HB2 GLU 46 5.862 -16.246 7.665 368 HB3 GLU 46 HB3 GLU 46 5.957 -14.520 8.010 369 HG2 GLU 46 HG2 GLU 46 3.732 -14.477 8.842 370 HG3 GLU 46 HG3 GLU 46 3.418 -16.108 8.267 371 H ILE 47 H ILE 47 2.515 -14.273 6.326 372 HA ILE 47 HA ILE 47 3.054 -11.455 5.827 373 HB ILE 47 HB ILE 47 0.551 -12.958 5.329 374 HG12 ILE 47 HG12 ILE 47 1.834 -11.602 3.142 375 HG13 ILE 47 HG13 ILE 47 2.848 -12.822 3.885 376 HG21 ILE 47 HG21 ILE 47 1.147 -10.049 4.994 377 HG22 ILE 47 HG22 ILE 47 -0.197 -10.788 5.865 378 HG23 ILE 47 HG23 ILE 47 -0.145 -10.851 4.103 379 HD11 ILE 47 HD11 ILE 47 0.598 -14.246 3.584 380 HD12 ILE 47 HD12 ILE 47 1.817 -14.142 2.312 381 HD13 ILE 47 HD13 ILE 47 0.390 -13.104 2.262 382 H ARG 48 H ARG 48 2.481 -9.912 7.127 383 HA ARG 48 HA ARG 48 1.582 -10.517 9.807 384 HB2 ARG 48 HB2 ARG 48 3.389 -8.816 8.810 385 HB3 ARG 48 HB3 ARG 48 2.004 -7.754 8.795 386 HG2 ARG 48 HG2 ARG 48 1.733 -7.898 11.130 387 HG3 ARG 48 HG3 ARG 48 2.883 -9.232 11.251 388 HD2 ARG 48 HD2 ARG 48 4.631 -7.636 10.353 389 HD3 ARG 48 HD3 ARG 48 3.450 -6.348 10.589 390 HE ARG 48 HE ARG 48 3.585 -7.635 13.002 391 HH11 ARG 48 HH11 ARG 48 6.936 -5.539 12.286 392 HH12 ARG 48 HH12 ARG 48 5.934 -6.014 10.955 393 HH21 ARG 48 HH21 ARG 48 6.362 -6.101 14.416 394 HH22 ARG 48 HH22 ARG 48 4.919 -7.009 14.728 395 H GLU 49 H GLU 49 0.524 -8.747 6.964 396 HA GLU 49 HA GLU 49 -2.246 -8.920 7.581 397 HB2 GLU 49 HB2 GLU 49 -1.245 -6.877 8.936 398 HB3 GLU 49 HB3 GLU 49 -1.294 -6.080 7.373 399 HG2 GLU 49 HG2 GLU 49 -3.718 -6.597 7.244 400 HG3 GLU 49 HG3 GLU 49 -3.623 -7.249 8.880 401 H CYS 50 H CYS 50 -3.502 -8.061 5.820 402 HA CYS 50 HA CYS 50 -2.115 -7.395 3.415 403 HB2 CYS 50 HB2 CYS 50 -2.479 -9.773 3.205 404 HB3 CYS 50 HB3 CYS 50 -4.179 -9.585 3.619 405 HG CYS 50 HG CYS 50 -2.955 -9.796 0.705 406 H MET 51 H MET 51 -3.362 -6.296 1.921 407 HA MET 51 HA MET 51 -5.912 -5.233 2.747 408 HB2 MET 51 HB2 MET 51 -4.295 -3.772 3.795 409 HB3 MET 51 HB3 MET 51 -3.545 -3.516 2.248 410 HG2 MET 51 HG2 MET 51 -5.531 -2.367 1.443 411 HG3 MET 51 HG3 MET 51 -6.314 -2.645 3.000 412 HE1 MET 51 HE1 MET 51 -5.392 1.261 2.719 413 HE2 MET 51 HE2 MET 51 -6.731 0.115 2.777 414 HE3 MET 51 HE3 MET 51 -5.701 0.196 1.349 415 H VAL 52 H VAL 52 -7.207 -4.926 1.195 416 HA VAL 52 HA VAL 52 -6.311 -4.467 -1.546 417 HB VAL 52 HB VAL 52 -8.645 -6.113 -0.730 418 HG11 VAL 52 HG11 VAL 52 -8.854 -6.642 -3.157 419 HG12 VAL 52 HG12 VAL 52 -7.644 -5.394 -3.467 420 HG13 VAL 52 HG13 VAL 52 -9.200 -4.957 -2.761 421 HG21 VAL 52 HG21 VAL 52 -6.193 -6.987 -2.186 422 HG22 VAL 52 HG22 VAL 52 -7.473 -8.017 -1.541 423 HG23 VAL 52 HG23 VAL 52 -6.397 -7.144 -0.443 424 H MET 53 H MET 53 -7.000 -2.699 -2.332 425 HA MET 53 HA MET 53 -8.693 -0.903 -0.885 426 HB2 MET 53 HB2 MET 53 -6.843 -0.753 -3.129 427 HB3 MET 53 HB3 MET 53 -8.250 0.278 -3.340 428 HG2 MET 53 HG2 MET 53 -6.674 0.311 -0.796 429 HG3 MET 53 HG3 MET 53 -6.172 1.249 -2.197 430 HE1 MET 53 HE1 MET 53 -9.575 0.873 0.233 431 HE2 MET 53 HE2 MET 53 -9.072 2.402 0.952 432 HE3 MET 53 HE3 MET 53 -7.947 1.047 0.887 433 H ARG 54 H ARG 54 -10.720 -0.340 -1.185 434 HA ARG 54 HA ARG 54 -12.184 -1.245 -3.571 435 HB2 ARG 54 HB2 ARG 54 -12.488 -2.475 -1.183 436 HB3 ARG 54 HB3 ARG 54 -13.664 -1.180 -1.007 437 HG2 ARG 54 HG2 ARG 54 -14.704 -1.907 -3.140 438 HG3 ARG 54 HG3 ARG 54 -13.588 -3.273 -3.169 439 HD2 ARG 54 HD2 ARG 54 -15.393 -2.730 -0.832 440 HD3 ARG 54 HD3 ARG 54 -15.919 -3.681 -2.217 441 HE ARG 54 HE ARG 54 -13.451 -4.630 -1.134 442 HH11 ARG 54 HH11 ARG 54 -16.876 -6.276 0.171 443 HH12 ARG 54 HH12 ARG 54 -16.929 -4.756 -0.657 444 HH21 ARG 54 HH21 ARG 54 -13.408 -6.626 -0.056 445 HH22 ARG 54 HH22 ARG 54 -14.884 -7.334 0.511 446 H ASP 55 H ASP 55 -14.208 0.032 -3.931 447 HA ASP 55 HA ASP 55 -13.885 2.758 -3.069 448 HB2 ASP 55 HB2 ASP 55 -14.641 1.512 -5.576 449 HB3 ASP 55 HB3 ASP 55 -15.560 2.929 -5.155 450 HA PRO 56 HA PRO 56 -17.709 1.963 -0.724 451 HB2 PRO 56 HB2 PRO 56 -17.700 4.902 -0.381 452 HB3 PRO 56 HB3 PRO 56 -17.736 3.629 0.845 453 HG2 PRO 56 HG2 PRO 56 -15.539 5.087 0.436 454 HG3 PRO 56 HG3 PRO 56 -15.451 3.365 0.857 455 HD2 PRO 56 HD2 PRO 56 -15.056 4.680 -1.795 456 HD3 PRO 56 HD3 PRO 56 -14.213 3.289 -1.081 457 H THR 57 H THR 57 -17.312 3.847 -3.546 458 HA THR 57 HA THR 57 -20.005 4.810 -3.737 459 HB THR 57 HB THR 57 -19.280 5.474 -6.089 460 HG1 THR 57 HG1 THR 57 -16.834 4.490 -5.031 461 HG21 THR 57 HG21 THR 57 -19.348 7.079 -4.264 462 HG22 THR 57 HG22 THR 57 -17.927 7.365 -5.268 463 HG23 THR 57 HG23 THR 57 -17.759 6.551 -3.713 464 H THR 58 H THR 58 -18.051 2.340 -5.352 465 HA THR 58 HA THR 58 -20.505 1.199 -6.525 466 HB THR 58 HB THR 58 -19.070 0.208 -8.282 467 HG1 THR 58 HG1 THR 58 -16.890 1.067 -8.429 468 HG21 THR 58 HG21 THR 58 -18.496 2.347 -9.445 469 HG22 THR 58 HG22 THR 58 -18.893 3.199 -7.950 470 HG23 THR 58 HG23 THR 58 -20.141 2.292 -8.807 471 H LYS 59 H LYS 59 -18.204 0.675 -4.172 472 HA LYS 59 HA LYS 59 -17.578 -1.035 -2.823 473 HB2 LYS 59 HB2 LYS 59 -19.776 -2.752 -3.938 474 HB3 LYS 59 HB3 LYS 59 -19.133 -2.719 -2.307 475 HG2 LYS 59 HG2 LYS 59 -20.516 -0.318 -3.387 476 HG3 LYS 59 HG3 LYS 59 -21.476 -1.696 -2.839 477 HD2 LYS 59 HD2 LYS 59 -20.433 -1.559 -0.632 478 HD3 LYS 59 HD3 LYS 59 -19.425 -0.218 -1.182 479 HE2 LYS 59 HE2 LYS 59 -21.207 0.756 0.026 480 HE3 LYS 59 HE3 LYS 59 -21.564 1.026 -1.679 481 HZ1 LYS 59 HZ1 LYS 59 -23.530 0.315 -0.480 482 HZ2 LYS 59 HZ2 LYS 59 -22.753 -1.098 0.031 483 HZ3 LYS 59 HZ3 LYS 59 -23.085 -0.864 -1.610 484 H ARG 60 H ARG 60 -17.009 -0.999 -5.863 485 HA ARG 60 HA ARG 60 -16.004 -3.736 -6.220 486 HB2 ARG 60 HB2 ARG 60 -16.300 -1.425 -8.144 487 HB3 ARG 60 HB3 ARG 60 -15.534 -2.949 -8.568 488 HG2 ARG 60 HG2 ARG 60 -17.652 -4.113 -8.040 489 HG3 ARG 60 HG3 ARG 60 -18.397 -2.541 -7.741 490 HD2 ARG 60 HD2 ARG 60 -18.085 -1.876 -10.008 491 HD3 ARG 60 HD3 ARG 60 -17.068 -3.277 -10.340 492 HE ARG 60 HE ARG 60 -19.519 -4.263 -9.522 493 HH11 ARG 60 HH11 ARG 60 -19.570 -2.853 -13.283 494 HH12 ARG 60 HH12 ARG 60 -18.338 -2.313 -12.191 495 HH21 ARG 60 HH21 ARG 60 -21.123 -4.959 -10.968 496 HH22 ARG 60 HH22 ARG 60 -21.145 -4.351 -12.590 497 H SER 61 H SER 61 -13.844 -4.125 -6.907 498 HA SER 61 HA SER 61 -11.899 -2.285 -5.735 499 HB2 SER 61 HB2 SER 61 -11.558 -5.093 -6.829 500 HB3 SER 61 HB3 SER 61 -10.309 -4.158 -6.007 501 HG SER 61 HG SER 61 -12.734 -4.458 -4.680 502 H ARG 62 H ARG 62 -9.982 -1.640 -6.886 503 HA ARG 62 HA ARG 62 -10.498 -1.159 -9.715 504 HB2 ARG 62 HB2 ARG 62 -8.710 0.077 -7.664 505 HB3 ARG 62 HB3 ARG 62 -8.297 0.253 -9.366 506 HG2 ARG 62 HG2 ARG 62 -10.472 1.265 -9.799 507 HG3 ARG 62 HG3 ARG 62 -10.907 1.069 -8.101 508 HD2 ARG 62 HD2 ARG 62 -9.158 2.583 -7.427 509 HD3 ARG 62 HD3 ARG 62 -8.557 2.685 -9.082 510 HE ARG 62 HE ARG 62 -10.961 3.606 -9.490 511 HH11 ARG 62 HH11 ARG 62 -9.645 5.871 -6.443 512 HH12 ARG 62 HH12 ARG 62 -8.934 4.313 -6.705 513 HH21 ARG 62 HH21 ARG 62 -11.878 5.643 -9.119 514 HH22 ARG 62 HH22 ARG 62 -11.308 6.621 -7.808 515 H GLY 63 H GLY 63 -8.910 -3.463 -7.928 516 HA2 GLY 63 HA2 GLY 63 -7.781 -5.313 -8.832 517 HA3 GLY 63 HA3 GLY 63 -7.421 -4.369 -10.266 518 H PHE 64 H PHE 64 -6.780 -3.444 -6.901 519 HA PHE 64 HA PHE 64 -3.982 -4.089 -7.080 520 HB2 PHE 64 HB2 PHE 64 -3.057 -1.935 -7.025 521 HB3 PHE 64 HB3 PHE 64 -4.238 -1.904 -8.314 522 HD1 PHE 64 HD1 PHE 64 -5.966 -0.347 -8.319 523 HD2 PHE 64 HD2 PHE 64 -3.655 -0.935 -4.823 524 HE1 PHE 64 HE1 PHE 64 -6.973 1.680 -7.333 525 HE2 PHE 64 HE2 PHE 64 -4.634 1.094 -3.815 526 HZ PHE 64 HZ PHE 64 -6.305 2.402 -5.072 527 H GLY 65 H GLY 65 -2.917 -4.159 -5.092 528 HA2 GLY 65 HA2 GLY 65 -4.217 -3.215 -2.743 529 HA3 GLY 65 HA3 GLY 65 -4.142 -4.962 -2.895 530 H PHE 66 H PHE 66 -2.893 -4.558 -0.896 531 HA PHE 66 HA PHE 66 -0.086 -4.438 -1.386 532 HB2 PHE 66 HB2 PHE 66 -1.650 -3.141 0.785 533 HB3 PHE 66 HB3 PHE 66 0.066 -3.304 0.813 534 HD1 PHE 66 HD1 PHE 66 1.462 -1.762 -0.351 535 HD2 PHE 66 HD2 PHE 66 -2.752 -1.748 -0.936 536 HE1 PHE 66 HE1 PHE 66 1.638 0.391 -1.533 537 HE2 PHE 66 HE2 PHE 66 -2.586 0.402 -2.127 538 HZ PHE 66 HZ PHE 66 -0.389 1.473 -2.425 539 H VAL 67 H VAL 67 1.104 -5.527 0.316 540 HA VAL 67 HA VAL 67 -0.328 -7.279 2.132 541 HB VAL 67 HB VAL 67 1.609 -8.397 0.067 542 HG11 VAL 67 HG11 VAL 67 2.210 -9.943 1.566 543 HG12 VAL 67 HG12 VAL 67 0.539 -10.509 1.581 544 HG13 VAL 67 HG13 VAL 67 1.070 -9.300 2.752 545 HG21 VAL 67 HG21 VAL 67 -0.203 -9.832 -0.629 546 HG22 VAL 67 HG22 VAL 67 -0.738 -8.153 -0.699 547 HG23 VAL 67 HG23 VAL 67 -1.249 -9.188 0.635 548 H THR 68 H THR 68 0.639 -7.488 3.915 549 HA THR 68 HA THR 68 3.201 -6.176 4.237 550 HB THR 68 HB THR 68 1.389 -6.753 6.471 551 HG1 THR 68 HG1 THR 68 0.383 -5.635 4.475 552 HG21 THR 68 HG21 THR 68 3.840 -5.492 6.189 553 HG22 THR 68 HG22 THR 68 2.778 -5.390 7.603 554 HG23 THR 68 HG23 THR 68 2.685 -4.155 6.346 555 H PHE 69 H PHE 69 4.741 -7.546 4.169 556 HA PHE 69 HA PHE 69 4.554 -10.168 5.260 557 HB2 PHE 69 HB2 PHE 69 6.530 -8.655 3.650 558 HB3 PHE 69 HB3 PHE 69 7.057 -10.090 4.509 559 HD1 PHE 69 HD1 PHE 69 5.155 -8.792 1.744 560 HD2 PHE 69 HD2 PHE 69 6.023 -12.283 4.011 561 HE1 PHE 69 HE1 PHE 69 4.221 -10.187 -0.050 562 HE2 PHE 69 HE2 PHE 69 5.099 -13.690 2.222 563 HZ PHE 69 HZ PHE 69 4.207 -12.649 0.189 564 H ALA 70 H ALA 70 5.122 -10.753 7.266 565 HA ALA 70 HA ALA 70 6.181 -8.897 9.086 566 HB1 ALA 70 HB1 ALA 70 5.774 -11.822 9.561 567 HB2 ALA 70 HB2 ALA 70 4.501 -10.609 9.696 568 HB3 ALA 70 HB3 ALA 70 5.886 -10.557 10.784 569 H ASP 71 H ASP 71 7.778 -10.434 6.888 570 HA ASP 71 HA ASP 71 10.247 -10.546 8.388 571 HB2 ASP 71 HB2 ASP 71 9.186 -12.756 7.530 572 HB3 ASP 71 HB3 ASP 71 9.816 -12.250 5.997 573 HA PRO 72 HA PRO 72 11.571 -7.738 5.117 574 HB2 PRO 72 HB2 PRO 72 14.279 -8.176 5.969 575 HB3 PRO 72 HB3 PRO 72 13.324 -6.722 6.056 576 HG2 PRO 72 HG2 PRO 72 14.057 -8.072 8.266 577 HG3 PRO 72 HG3 PRO 72 12.539 -7.158 8.159 578 HD2 PRO 72 HD2 PRO 72 12.990 -10.099 7.902 579 HD3 PRO 72 HD3 PRO 72 11.675 -9.217 8.709 580 H ALA 73 H ALA 73 12.603 -10.911 5.653 581 HA ALA 73 HA ALA 73 14.357 -11.119 3.405 582 HB1 ALA 73 HB1 ALA 73 13.186 -13.302 5.105 583 HB2 ALA 73 HB2 ALA 73 14.743 -12.513 5.358 584 HB3 ALA 73 HB3 ALA 73 14.480 -13.503 3.922 585 H SER 74 H SER 74 11.033 -11.667 4.034 586 HA SER 74 HA SER 74 10.466 -13.228 1.715 587 HB2 SER 74 HB2 SER 74 9.080 -12.997 3.902 588 HB3 SER 74 HB3 SER 74 8.374 -11.594 3.096 589 HG SER 74 HG SER 74 8.456 -14.236 2.052 590 H VAL 75 H VAL 75 10.559 -9.867 2.430 591 HA VAL 75 HA VAL 75 9.305 -8.904 0.089 592 HB VAL 75 HB VAL 75 11.356 -7.384 1.700 593 HG11 VAL 75 HG11 VAL 75 10.622 -6.290 -0.361 594 HG12 VAL 75 HG12 VAL 75 10.074 -5.399 1.058 595 HG13 VAL 75 HG13 VAL 75 8.944 -6.413 0.164 596 HG21 VAL 75 HG21 VAL 75 9.785 -8.276 3.310 597 HG22 VAL 75 HG22 VAL 75 8.423 -7.697 2.350 598 HG23 VAL 75 HG23 VAL 75 9.514 -6.542 3.119 599 H ASP 76 H ASP 76 12.514 -9.786 0.955 600 HA ASP 76 HA ASP 76 13.861 -8.773 -1.312 601 HB2 ASP 76 HB2 ASP 76 14.702 -9.567 1.053 602 HB3 ASP 76 HB3 ASP 76 14.862 -11.107 0.240 603 H LYS 77 H LYS 77 12.527 -11.805 -0.362 604 HA LYS 77 HA LYS 77 13.270 -13.380 -2.542 605 HB2 LYS 77 HB2 LYS 77 11.067 -13.693 -0.527 606 HB3 LYS 77 HB3 LYS 77 11.406 -14.901 -1.754 607 HG2 LYS 77 HG2 LYS 77 13.813 -14.843 -0.768 608 HG3 LYS 77 HG3 LYS 77 13.016 -14.129 0.636 609 HD2 LYS 77 HD2 LYS 77 11.481 -16.055 0.718 610 HD3 LYS 77 HD3 LYS 77 12.334 -16.776 -0.647 611 HE2 LYS 77 HE2 LYS 77 13.225 -17.832 1.247 612 HE3 LYS 77 HE3 LYS 77 14.429 -16.627 0.795 613 HZ1 LYS 77 HZ1 LYS 77 13.469 -15.152 2.497 614 HZ2 LYS 77 HZ2 LYS 77 14.093 -16.579 3.154 615 HZ3 LYS 77 HZ3 LYS 77 12.423 -16.394 2.973 616 H VAL 78 H VAL 78 10.374 -11.516 -1.917 617 HA VAL 78 HA VAL 78 9.066 -12.394 -4.320 618 HB VAL 78 HB VAL 78 8.210 -10.311 -2.287 619 HG11 VAL 78 HG11 VAL 78 6.037 -10.282 -3.314 620 HG12 VAL 78 HG12 VAL 78 6.523 -11.499 -4.493 621 HG13 VAL 78 HG13 VAL 78 7.233 -9.886 -4.551 622 HG21 VAL 78 HG21 VAL 78 6.577 -12.019 -1.606 623 HG22 VAL 78 HG22 VAL 78 8.237 -12.582 -1.408 624 HG23 VAL 78 HG23 VAL 78 7.275 -13.139 -2.776 625 H LEU 79 H LEU 79 10.963 -9.602 -3.324 626 HA LEU 79 HA LEU 79 10.268 -7.829 -5.402 627 HB2 LEU 79 HB2 LEU 79 11.699 -7.688 -3.124 628 HB3 LEU 79 HB3 LEU 79 12.995 -7.783 -4.280 629 HG LEU 79 HG LEU 79 10.844 -5.670 -4.164 630 HD11 LEU 79 HD11 LEU 79 13.799 -5.445 -3.643 631 HD12 LEU 79 HD12 LEU 79 12.556 -5.553 -2.397 632 HD13 LEU 79 HD13 LEU 79 12.592 -4.167 -3.488 633 HD21 LEU 79 HD21 LEU 79 13.081 -6.063 -6.135 634 HD22 LEU 79 HD22 LEU 79 12.318 -4.497 -5.859 635 HD23 LEU 79 HD23 LEU 79 11.357 -5.852 -6.450 636 H GLY 80 H GLY 80 12.682 -10.395 -5.126 637 HA2 GLY 80 HA2 GLY 80 14.016 -9.771 -7.553 638 HA3 GLY 80 HA3 GLY 80 14.259 -11.205 -6.590 639 H GLN 81 H GLN 81 11.162 -11.490 -6.852 640 HA GLN 81 HA GLN 81 11.252 -13.006 -9.320 641 HB2 GLN 81 HB2 GLN 81 9.501 -12.996 -6.882 642 HB3 GLN 81 HB3 GLN 81 9.060 -13.879 -8.325 643 HG2 GLN 81 HG2 GLN 81 11.773 -14.301 -7.243 644 HG3 GLN 81 HG3 GLN 81 10.426 -14.989 -6.347 645 HE21 GLN 81 HE21 GLN 81 9.184 -16.632 -7.306 646 HE22 GLN 81 HE22 GLN 81 9.753 -17.523 -8.671 647 HA PRO 82 HA PRO 82 8.764 -9.486 -10.927 648 HB2 PRO 82 HB2 PRO 82 9.573 -10.273 -13.586 649 HB3 PRO 82 HB3 PRO 82 10.022 -8.821 -12.687 650 HG2 PRO 82 HG2 PRO 82 11.788 -10.801 -13.313 651 HG3 PRO 82 HG3 PRO 82 11.965 -9.724 -11.915 652 HD2 PRO 82 HD2 PRO 82 10.953 -12.536 -12.015 653 HD3 PRO 82 HD3 PRO 82 12.002 -11.748 -10.816 654 H HIS 83 H HIS 83 8.707 -12.861 -11.839 655 HA HIS 83 HA HIS 83 6.275 -12.575 -13.409 656 HB2 HIS 83 HB2 HIS 83 8.256 -14.179 -13.890 657 HB3 HIS 83 HB3 HIS 83 7.531 -15.199 -12.654 658 HD1 HIS 83 HD1 HIS 83 6.967 -13.906 -16.124 659 HD2 HIS 83 HD2 HIS 83 5.168 -16.500 -13.422 660 HE1 HIS 83 HE1 HIS 83 5.205 -15.130 -17.437 661 HE2 HIS 83 HE2 HIS 83 4.127 -16.695 -15.782 662 H HIS 84 H HIS 84 4.384 -12.461 -12.449 663 HA HIS 84 HA HIS 84 3.716 -14.247 -10.238 664 HB2 HIS 84 HB2 HIS 84 4.259 -11.591 -9.812 665 HB3 HIS 84 HB3 HIS 84 2.515 -11.570 -10.038 666 HD1 HIS 84 HD1 HIS 84 5.175 -12.826 -7.724 667 HD2 HIS 84 HD2 HIS 84 1.028 -12.782 -7.998 668 HE1 HIS 84 HE1 HIS 84 4.345 -13.581 -5.474 669 HE2 HIS 84 HE2 HIS 84 1.833 -13.548 -5.662 670 H GLU 85 H GLU 85 1.946 -15.332 -10.839 671 HA GLU 85 HA GLU 85 0.145 -14.136 -12.727 672 HB2 GLU 85 HB2 GLU 85 1.646 -16.271 -13.274 673 HB3 GLU 85 HB3 GLU 85 0.300 -17.090 -12.495 674 HG2 GLU 85 HG2 GLU 85 -1.245 -16.202 -14.104 675 HG3 GLU 85 HG3 GLU 85 0.020 -15.207 -14.823 676 H LEU 86 H LEU 86 -1.856 -14.071 -12.296 677 HA LEU 86 HA LEU 86 -3.160 -15.621 -10.256 678 HB2 LEU 86 HB2 LEU 86 -2.544 -13.670 -9.023 679 HB3 LEU 86 HB3 LEU 86 -2.933 -12.628 -10.366 680 HG LEU 86 HG LEU 86 -5.341 -13.526 -10.007 681 HD11 LEU 86 HD11 LEU 86 -4.079 -13.965 -7.307 682 HD12 LEU 86 HD12 LEU 86 -4.924 -15.150 -8.304 683 HD13 LEU 86 HD13 LEU 86 -5.816 -13.817 -7.570 684 HD21 LEU 86 HD21 LEU 86 -4.816 -11.214 -9.854 685 HD22 LEU 86 HD22 LEU 86 -3.989 -11.445 -8.313 686 HD23 LEU 86 HD23 LEU 86 -5.737 -11.640 -8.412 687 H ASP 87 H ASP 87 -5.117 -16.114 -10.904 688 HA ASP 87 HA ASP 87 -6.868 -16.597 -12.258 689 HB2 ASP 87 HB2 ASP 87 -7.316 -14.374 -11.254 690 HB3 ASP 87 HB3 ASP 87 -6.816 -13.658 -12.759 691 H SER 88 H SER 88 -4.402 -16.830 -13.368 692 HA SER 88 HA SER 88 -3.373 -17.459 -15.303 693 HB2 SER 88 HB2 SER 88 -6.037 -16.842 -16.609 694 HB3 SER 88 HB3 SER 88 -4.680 -17.621 -17.420 695 HG SER 88 HG SER 88 -5.284 -19.422 -16.547 696 H LYS 89 H LYS 89 -3.882 -14.446 -14.438 697 HA LYS 89 HA LYS 89 -2.561 -13.358 -16.795 698 HB2 LYS 89 HB2 LYS 89 -3.565 -11.091 -15.995 699 HB3 LYS 89 HB3 LYS 89 -4.515 -12.170 -16.988 700 HG2 LYS 89 HG2 LYS 89 -5.668 -12.966 -14.935 701 HG3 LYS 89 HG3 LYS 89 -4.749 -11.777 -14.007 702 HD2 LYS 89 HD2 LYS 89 -5.712 -9.989 -15.430 703 HD3 LYS 89 HD3 LYS 89 -6.698 -11.207 -16.239 704 HE2 LYS 89 HE2 LYS 89 -7.724 -11.772 -14.068 705 HE3 LYS 89 HE3 LYS 89 -6.783 -10.486 -13.313 706 HZ1 LYS 89 HZ1 LYS 89 -8.992 -9.709 -13.807 707 HZ2 LYS 89 HZ2 LYS 89 -8.835 -10.147 -15.433 708 HZ3 LYS 89 HZ3 LYS 89 -7.886 -8.898 -14.800 709 H THR 90 H THR 90 -1.168 -11.749 -16.471 710 HA THR 90 HA THR 90 0.577 -12.104 -14.208 711 HB THR 90 HB THR 90 1.021 -10.104 -16.412 712 HG1 THR 90 HG1 THR 90 2.007 -12.686 -16.751 713 HG21 THR 90 HG21 THR 90 3.379 -10.697 -16.086 714 HG22 THR 90 HG22 THR 90 2.922 -11.864 -14.847 715 HG23 THR 90 HG23 THR 90 2.656 -10.143 -14.575 716 H ILE 91 H ILE 91 0.641 -10.902 -12.432 717 HA ILE 91 HA ILE 91 -0.535 -8.202 -12.462 718 HB ILE 91 HB ILE 91 -1.032 -8.465 -10.081 719 HG12 ILE 91 HG12 ILE 91 -0.231 -11.326 -10.356 720 HG13 ILE 91 HG13 ILE 91 0.710 -10.137 -9.484 721 HG21 ILE 91 HG21 ILE 91 -2.128 -10.611 -11.872 722 HG22 ILE 91 HG22 ILE 91 -2.735 -8.962 -11.697 723 HG23 ILE 91 HG23 ILE 91 -2.866 -10.097 -10.354 724 HD11 ILE 91 HD11 ILE 91 -2.084 -10.259 -8.636 725 HD12 ILE 91 HD12 ILE 91 -0.596 -10.301 -7.673 726 HD13 ILE 91 HD13 ILE 91 -1.208 -11.783 -8.408 727 H ASP 92 H ASP 92 0.516 -6.683 -10.658 728 HA ASP 92 HA ASP 92 3.418 -7.106 -10.992 729 HB2 ASP 92 HB2 ASP 92 2.183 -5.290 -12.320 730 HB3 ASP 92 HB3 ASP 92 2.134 -4.412 -10.801 731 HA PRO 93 HA PRO 93 3.278 -6.496 -6.444 732 HB2 PRO 93 HB2 PRO 93 5.420 -8.388 -6.158 733 HB3 PRO 93 HB3 PRO 93 3.734 -8.587 -5.670 734 HG2 PRO 93 HG2 PRO 93 4.937 -10.034 -7.675 735 HG3 PRO 93 HG3 PRO 93 3.190 -9.758 -7.540 736 HD2 PRO 93 HD2 PRO 93 5.190 -8.371 -9.276 737 HD3 PRO 93 HD3 PRO 93 3.521 -8.863 -9.643 738 H LYS 94 H LYS 94 4.343 -4.748 -5.707 739 HA LYS 94 HA LYS 94 7.233 -4.514 -6.104 740 HB2 LYS 94 HB2 LYS 94 7.006 -2.129 -6.887 741 HB3 LYS 94 HB3 LYS 94 6.499 -3.344 -8.048 742 HG2 LYS 94 HG2 LYS 94 4.121 -2.856 -6.968 743 HG3 LYS 94 HG3 LYS 94 4.886 -1.309 -6.599 744 HD2 LYS 94 HD2 LYS 94 5.485 -1.082 -8.987 745 HD3 LYS 94 HD3 LYS 94 4.627 -2.588 -9.318 746 HE2 LYS 94 HE2 LYS 94 2.564 -1.540 -8.400 747 HE3 LYS 94 HE3 LYS 94 3.451 -0.023 -8.254 748 HZ1 LYS 94 HZ1 LYS 94 3.221 0.384 -10.414 749 HZ2 LYS 94 HZ2 LYS 94 2.060 -0.847 -10.437 750 HZ3 LYS 94 HZ3 LYS 94 3.662 -1.187 -10.863 751 H VAL 95 H VAL 95 8.324 -3.403 -4.508 752 HA VAL 95 HA VAL 95 6.944 -2.933 -2.047 753 HB VAL 95 HB VAL 95 9.754 -2.138 -2.523 754 HG11 VAL 95 HG11 VAL 95 8.406 -3.263 -0.082 755 HG12 VAL 95 HG12 VAL 95 8.733 -1.554 -0.363 756 HG13 VAL 95 HG13 VAL 95 10.071 -2.689 -0.181 757 HG21 VAL 95 HG21 VAL 95 10.584 -4.306 -2.273 758 HG22 VAL 95 HG22 VAL 95 9.216 -4.498 -3.369 759 HG23 VAL 95 HG23 VAL 95 9.042 -4.915 -1.665 760 H ALA 96 H ALA 96 6.063 -1.119 -1.322 761 HA ALA 96 HA ALA 96 6.222 1.302 -2.843 762 HB1 ALA 96 HB1 ALA 96 4.619 0.610 -0.396 763 HB2 ALA 96 HB2 ALA 96 4.063 0.588 -2.071 764 HB3 ALA 96 HB3 ALA 96 4.483 2.118 -1.300 765 H PHE 97 H PHE 97 6.806 3.337 -2.082 766 HA PHE 97 HA PHE 97 8.673 3.385 0.175 767 HB2 PHE 97 HB2 PHE 97 8.648 4.566 -2.516 768 HB3 PHE 97 HB3 PHE 97 9.112 5.684 -1.246 769 HD1 PHE 97 HD1 PHE 97 11.207 5.477 -0.120 770 HD2 PHE 97 HD2 PHE 97 9.958 2.530 -2.926 771 HE1 PHE 97 HE1 PHE 97 13.473 4.514 -0.112 772 HE2 PHE 97 HE2 PHE 97 12.223 1.564 -2.926 773 HZ PHE 97 HZ PHE 97 13.981 2.555 -1.515 774 HA PRO 98 HA PRO 98 5.541 6.042 2.098 775 HB2 PRO 98 HB2 PRO 98 7.544 6.744 4.120 776 HB3 PRO 98 HB3 PRO 98 6.041 5.830 4.308 777 HG2 PRO 98 HG2 PRO 98 8.415 4.624 4.526 778 HG3 PRO 98 HG3 PRO 98 7.024 3.810 3.776 779 HD2 PRO 98 HD2 PRO 98 9.321 5.202 2.437 780 HD3 PRO 98 HD3 PRO 98 8.622 3.601 2.104 781 H ARG 99 H ARG 99 4.968 8.126 1.981 782 HA ARG 99 HA ARG 99 6.940 10.267 1.842 783 HB2 ARG 99 HB2 ARG 99 5.237 9.405 -0.462 784 HB3 ARG 99 HB3 ARG 99 5.552 11.119 -0.244 785 HG2 ARG 99 HG2 ARG 99 7.942 10.720 -0.382 786 HG3 ARG 99 HG3 ARG 99 7.658 8.984 -0.526 787 HD2 ARG 99 HD2 ARG 99 6.717 9.194 -2.655 788 HD3 ARG 99 HD3 ARG 99 6.423 10.920 -2.454 789 HE ARG 99 HE ARG 99 9.076 10.853 -2.368 790 HH11 ARG 99 HH11 ARG 99 6.893 9.259 -4.609 791 HH12 ARG 99 HH12 ARG 99 8.028 9.290 -5.916 792 HH21 ARG 99 HH21 ARG 99 10.093 10.212 -5.623 793 HH22 ARG 99 HH22 ARG 99 10.543 10.889 -4.093 794 H ARG 100 H ARG 100 6.235 11.794 3.169 795 HA ARG 100 HA ARG 100 3.356 12.088 3.680 796 HB2 ARG 100 HB2 ARG 100 5.360 11.879 5.461 797 HB3 ARG 100 HB3 ARG 100 5.365 13.624 5.251 798 HG2 ARG 100 HG2 ARG 100 3.929 13.394 7.025 799 HG3 ARG 100 HG3 ARG 100 2.795 13.395 5.675 800 HD2 ARG 100 HD2 ARG 100 2.091 11.617 7.025 801 HD3 ARG 100 HD3 ARG 100 3.005 10.845 5.730 802 HE ARG 100 HE ARG 100 4.843 11.230 7.702 803 HH11 ARG 100 HH11 ARG 100 2.150 8.467 8.818 804 HH12 ARG 100 HH12 ARG 100 1.727 9.615 7.592 805 HH21 ARG 100 HH21 ARG 100 5.372 9.728 9.309 806 HH22 ARG 100 HH22 ARG 100 4.215 8.533 9.791 807 H ALA 101 H ALA 101 2.258 13.797 2.924 808 HA ALA 101 HA ALA 101 3.638 15.818 1.422 809 HB1 ALA 101 HB1 ALA 101 1.817 15.878 0.134 810 HB2 ALA 101 HB2 ALA 101 0.757 16.098 1.524 811 HB3 ALA 101 HB3 ALA 101 1.262 14.474 1.050 812 H GLN 102 H GLN 102 2.643 18.084 1.495 813 HA GLN 102 HA GLN 102 2.368 18.958 4.302 814 HB2 GLN 102 HB2 GLN 102 3.772 20.261 1.969 815 HB3 GLN 102 HB3 GLN 102 3.340 21.155 3.419 816 HG2 GLN 102 HG2 GLN 102 4.714 19.639 4.759 817 HG3 GLN 102 HG3 GLN 102 5.156 18.755 3.301 818 HE21 GLN 102 HE21 GLN 102 5.557 21.691 5.111 819 HE22 GLN 102 HE22 GLN 102 6.921 22.287 4.233 820 HA PRO 103 HA PRO 103 -1.556 20.692 3.021 821 HB2 PRO 103 HB2 PRO 103 -2.032 22.457 5.011 822 HB3 PRO 103 HB3 PRO 103 -2.104 20.707 5.263 823 HG2 PRO 103 HG2 PRO 103 0.086 22.614 5.942 824 HG3 PRO 103 HG3 PRO 103 -0.555 21.257 6.889 825 HD2 PRO 103 HD2 PRO 103 1.744 21.101 5.428 826 HD3 PRO 103 HD3 PRO 103 0.702 19.705 5.768 827 H LYS 104 H LYS 104 -2.681 22.870 2.708 828 HA LYS 104 HA LYS 104 -0.934 24.606 1.153 829 HB2 LYS 104 HB2 LYS 104 -3.932 24.421 1.449 830 HB3 LYS 104 HB3 LYS 104 -3.152 25.696 0.528 831 HG2 LYS 104 HG2 LYS 104 -2.309 24.167 -1.063 832 HG3 LYS 104 HG3 LYS 104 -2.707 22.780 -0.045 833 HD2 LYS 104 HD2 LYS 104 -5.090 23.267 -0.309 834 HD3 LYS 104 HD3 LYS 104 -4.698 24.664 -1.313 835 HE2 LYS 104 HE2 LYS 104 -3.781 21.890 -2.014 836 HE3 LYS 104 HE3 LYS 104 -5.364 22.496 -2.498 837 HZ1 LYS 104 HZ1 LYS 104 -3.700 22.804 -4.232 838 HZ2 LYS 104 HZ2 LYS 104 -2.760 23.750 -3.192 839 HZ3 LYS 104 HZ3 LYS 104 -4.284 24.295 -3.684 840 H MET 105 H MET 105 -1.048 26.947 1.313 841 HA MET 105 HA MET 105 -1.196 27.845 4.089 842 HB2 MET 105 HB2 MET 105 0.036 29.061 1.615 843 HB3 MET 105 HB3 MET 105 -0.050 29.908 3.152 844 HG2 MET 105 HG2 MET 105 1.283 28.147 4.198 845 HG3 MET 105 HG3 MET 105 1.365 27.298 2.655 846 HE1 MET 105 HE1 MET 105 4.042 27.277 3.156 847 HE2 MET 105 HE2 MET 105 3.859 28.305 4.579 848 HE3 MET 105 HE3 MET 105 5.004 28.747 3.314 849 H VAL 106 H VAL 106 -3.219 27.830 1.444 850 HA VAL 106 HA VAL 106 -4.431 30.430 1.935 851 HB VAL 106 HB VAL 106 -5.534 28.386 0.027 852 HG11 VAL 106 HG11 VAL 106 -5.493 31.403 -0.052 853 HG12 VAL 106 HG12 VAL 106 -6.869 30.392 0.394 854 HG13 VAL 106 HG13 VAL 106 -6.241 30.353 -1.254 855 HG21 VAL 106 HG21 VAL 106 -3.261 30.272 -0.601 856 HG22 VAL 106 HG22 VAL 106 -4.119 29.266 -1.768 857 HG23 VAL 106 HG23 VAL 106 -3.152 28.514 -0.499 858 H THR 107 H THR 107 -6.809 30.551 2.249 859 HA THR 107 HA THR 107 -7.633 28.663 4.235 860 HB THR 107 HB THR 107 -7.737 30.995 4.850 861 HG1 THR 107 HG1 THR 107 -9.302 30.111 5.993 862 HG21 THR 107 HG21 THR 107 -8.147 32.082 2.726 863 HG22 THR 107 HG22 THR 107 -9.417 32.532 3.863 864 HG23 THR 107 HG23 THR 107 -9.740 31.333 2.611 865 H ARG 108 H ARG 108 -8.953 30.038 1.232 866 HA ARG 108 HA ARG 108 -11.066 28.002 1.236 867 HB2 ARG 108 HB2 ARG 108 -11.164 30.686 0.670 868 HB3 ARG 108 HB3 ARG 108 -11.076 29.977 -0.937 869 HG2 ARG 108 HG2 ARG 108 -13.031 28.618 -0.472 870 HG3 ARG 108 HG3 ARG 108 -13.100 29.252 1.171 871 HD2 ARG 108 HD2 ARG 108 -13.407 31.528 0.222 872 HD3 ARG 108 HD3 ARG 108 -13.470 30.808 -1.387 873 HE ARG 108 HE ARG 108 -15.365 29.520 0.208 874 HH11 ARG 108 HH11 ARG 108 -14.857 32.716 -1.157 875 HH12 ARG 108 HH12 ARG 108 -16.550 33.077 -1.233 876 HH21 ARG 108 HH21 ARG 108 -18.083 31.547 -0.520 877 HH22 ARG 108 HH22 ARG 108 -17.571 30.014 0.102 878 H THR 109 H THR 109 -11.117 26.360 -0.166 879 HA THR 109 HA THR 109 -8.872 26.038 -2.010 880 HB THR 109 HB THR 109 -9.829 23.685 -2.265 881 HG1 THR 109 HG1 THR 109 -11.076 23.740 0.141 882 HG21 THR 109 HG21 THR 109 -8.896 24.592 0.461 883 HG22 THR 109 HG22 THR 109 -7.867 24.134 -0.898 884 HG23 THR 109 HG23 THR 109 -8.890 22.926 -0.119 885 H LYS 110 H LYS 110 -9.053 25.929 -4.180 886 HA LYS 110 HA LYS 110 -11.518 26.765 -5.384 887 HB2 LYS 110 HB2 LYS 110 -8.775 27.120 -5.949 888 HB3 LYS 110 HB3 LYS 110 -9.470 26.260 -7.315 889 HG2 LYS 110 HG2 LYS 110 -11.108 27.993 -7.637 890 HG3 LYS 110 HG3 LYS 110 -10.562 28.823 -6.177 891 HD2 LYS 110 HD2 LYS 110 -8.372 29.191 -7.200 892 HD3 LYS 110 HD3 LYS 110 -8.903 28.341 -8.653 893 HE2 LYS 110 HE2 LYS 110 -10.618 30.029 -9.032 894 HE3 LYS 110 HE3 LYS 110 -10.139 30.866 -7.556 895 HZ1 LYS 110 HZ1 LYS 110 -8.428 30.474 -9.954 896 HZ2 LYS 110 HZ2 LYS 110 -7.967 31.274 -8.537 897 HZ3 LYS 110 HZ3 LYS 110 -9.192 31.917 -9.511 898 H LYS 111 H LYS 111 -12.903 25.487 -6.443 899 HA LYS 111 HA LYS 111 -12.300 22.693 -6.752 900 HB2 LYS 111 HB2 LYS 111 -14.823 24.304 -6.849 901 HB3 LYS 111 HB3 LYS 111 -14.796 22.660 -7.469 902 HG2 LYS 111 HG2 LYS 111 -13.742 23.139 -4.730 903 HG3 LYS 111 HG3 LYS 111 -15.489 23.196 -4.978 904 HD2 LYS 111 HD2 LYS 111 -15.417 20.954 -5.965 905 HD3 LYS 111 HD3 LYS 111 -13.672 20.897 -5.712 906 HE2 LYS 111 HE2 LYS 111 -14.014 21.087 -3.300 907 HE3 LYS 111 HE3 LYS 111 -15.759 21.159 -3.549 908 HZ1 LYS 111 HZ1 LYS 111 -13.997 18.869 -4.237 909 HZ2 LYS 111 HZ2 LYS 111 -15.665 18.935 -4.506 910 HZ3 LYS 111 HZ3 LYS 111 -15.063 18.941 -2.926 Start of MODEL 8 1 H1 MET -3 H1 MET -3 23.378 -32.183 20.044 2 H2 MET -3 H2 MET -3 22.564 -33.128 18.901 3 H3 MET -3 H3 MET -3 23.619 -33.857 20.003 4 HA MET -3 HA MET -3 22.196 -33.271 21.834 5 HB2 MET -3 HB2 MET -3 20.743 -31.846 19.651 6 HB3 MET -3 HB3 MET -3 19.808 -32.501 20.989 7 HG2 MET -3 HG2 MET -3 21.018 -31.180 22.569 8 HG3 MET -3 HG3 MET -3 22.152 -30.648 21.331 9 HE1 MET -3 HE1 MET -3 21.896 -28.550 19.983 10 HE2 MET -3 HE2 MET -3 20.346 -27.944 19.396 11 HE3 MET -3 HE3 MET -3 20.894 -29.557 18.938 12 H HIS -2 H HIS -2 20.716 -34.770 22.571 13 HA HIS -2 HA HIS -2 19.865 -36.812 20.621 14 HB2 HIS -2 HB2 HIS -2 21.745 -37.235 22.517 15 HB3 HIS -2 HB3 HIS -2 20.298 -37.652 23.428 16 HD1 HIS -2 HD1 HIS -2 18.698 -39.476 22.082 17 HD2 HIS -2 HD2 HIS -2 22.726 -39.296 21.074 18 HE1 HIS -2 HE1 HIS -2 19.198 -41.648 20.917 19 HE2 HIS -2 HE2 HIS -2 21.642 -41.518 20.316 20 H HIS -1 H HIS -1 19.142 -35.207 23.696 21 HA HIS -1 HA HIS -1 16.419 -36.277 23.683 22 HB2 HIS -1 HB2 HIS -1 18.033 -34.781 25.746 23 HB3 HIS -1 HB3 HIS -1 16.305 -35.063 25.931 24 HD1 HIS -1 HD1 HIS -1 19.600 -36.711 26.242 25 HD2 HIS -1 HD2 HIS -1 15.590 -37.797 26.322 26 HE1 HIS -1 HE1 HIS -1 19.550 -39.030 27.214 27 HE2 HIS -1 HE2 HIS -1 17.112 -39.668 27.254 28 H HIS 0 H HIS 0 14.583 -34.884 23.932 29 HA HIS 0 HA HIS 0 14.887 -32.372 22.466 30 HB2 HIS 0 HB2 HIS 0 12.511 -34.117 23.091 31 HB3 HIS 0 HB3 HIS 0 12.329 -32.498 22.424 32 HD1 HIS 0 HD1 HIS 0 13.308 -32.124 19.992 33 HD2 HIS 0 HD2 HIS 0 13.177 -36.075 21.276 34 HE1 HIS 0 HE1 HIS 0 13.598 -33.514 17.917 35 HE2 HIS 0 HE2 HIS 0 13.514 -35.903 18.717 36 H HIS 1 H HIS 1 14.269 -30.401 23.235 37 HA HIS 1 HA HIS 1 13.563 -30.250 26.095 38 HB2 HIS 1 HB2 HIS 1 15.882 -29.385 25.166 39 HB3 HIS 1 HB3 HIS 1 14.927 -27.988 24.684 40 HD1 HIS 1 HD1 HIS 1 16.121 -29.828 27.736 41 HD2 HIS 1 HD2 HIS 1 14.185 -26.286 26.748 42 HE1 HIS 1 HE1 HIS 1 16.077 -28.473 29.853 43 HE2 HIS 1 HE2 HIS 1 14.902 -26.333 29.233 44 H HIS 2 H HIS 2 11.910 -28.922 26.708 45 HA HIS 2 HA HIS 2 10.516 -27.414 24.595 46 HB2 HIS 2 HB2 HIS 2 9.335 -29.263 26.664 47 HB3 HIS 2 HB3 HIS 2 8.372 -28.056 25.821 48 HD1 HIS 2 HD1 HIS 2 8.192 -28.372 23.172 49 HD2 HIS 2 HD2 HIS 2 9.750 -31.595 25.286 50 HE1 HIS 2 HE1 HIS 2 8.058 -30.334 21.603 51 HE2 HIS 2 HE2 HIS 2 9.007 -32.273 22.902 52 H HIS 3 H HIS 3 9.641 -25.470 25.143 53 HA HIS 3 HA HIS 3 10.381 -24.403 27.776 54 HB2 HIS 3 HB2 HIS 3 9.921 -23.128 25.092 55 HB3 HIS 3 HB3 HIS 3 9.880 -22.167 26.566 56 HD1 HIS 3 HD1 HIS 3 12.200 -23.893 24.240 57 HD2 HIS 3 HD2 HIS 3 12.376 -21.903 27.885 58 HE1 HIS 3 HE1 HIS 3 14.641 -23.440 24.642 59 HE2 HIS 3 HE2 HIS 3 14.725 -22.234 26.854 60 H SER 4 H SER 4 8.916 -23.027 28.915 61 HA SER 4 HA SER 4 6.084 -23.653 28.382 62 HB2 SER 4 HB2 SER 4 7.453 -23.064 31.015 63 HB3 SER 4 HB3 SER 4 5.724 -23.351 30.813 64 HG SER 4 HG SER 4 6.099 -25.415 30.706 65 H THR 5 H THR 5 8.363 -21.082 29.174 66 HA THR 5 HA THR 5 6.347 -19.061 29.462 67 HB THR 5 HB THR 5 8.463 -17.587 29.409 68 HG1 THR 5 HG1 THR 5 9.699 -19.500 28.543 69 HG21 THR 5 HG21 THR 5 8.065 -19.630 31.582 70 HG22 THR 5 HG22 THR 5 7.237 -18.078 31.451 71 HG23 THR 5 HG23 THR 5 8.974 -18.128 31.754 72 H SER 6 H SER 6 5.359 -18.145 27.805 73 HA SER 6 HA SER 6 6.863 -17.546 25.352 74 HB2 SER 6 HB2 SER 6 4.080 -18.743 25.427 75 HB3 SER 6 HB3 SER 6 4.929 -18.212 23.975 76 HG SER 6 HG SER 6 5.075 -20.564 25.202 77 H VAL 7 H VAL 7 6.448 -15.601 24.445 78 HA VAL 7 HA VAL 7 4.743 -13.751 25.925 79 HB VAL 7 HB VAL 7 6.467 -13.053 23.535 80 HG11 VAL 7 HG11 VAL 7 6.529 -10.822 24.580 81 HG12 VAL 7 HG12 VAL 7 5.459 -11.404 25.855 82 HG13 VAL 7 HG13 VAL 7 4.886 -11.331 24.189 83 HG21 VAL 7 HG21 VAL 7 7.922 -14.157 25.138 84 HG22 VAL 7 HG22 VAL 7 7.317 -13.120 26.431 85 HG23 VAL 7 HG23 VAL 7 8.252 -12.424 25.107 86 H ASP 8 H ASP 8 2.992 -12.650 25.046 87 HA ASP 8 HA ASP 8 1.893 -13.805 22.572 88 HB2 ASP 8 HB2 ASP 8 0.538 -12.569 24.970 89 HB3 ASP 8 HB3 ASP 8 -0.313 -12.914 23.468 90 H LEU 9 H LEU 9 2.293 -10.714 24.296 91 HA LEU 9 HA LEU 9 1.355 -9.177 22.025 92 HB2 LEU 9 HB2 LEU 9 1.301 -8.709 24.682 93 HB3 LEU 9 HB3 LEU 9 2.749 -7.821 24.252 94 HG LEU 9 HG LEU 9 1.098 -6.858 22.370 95 HD11 LEU 9 HD11 LEU 9 -0.697 -7.445 24.720 96 HD12 LEU 9 HD12 LEU 9 -0.808 -8.194 23.127 97 HD13 LEU 9 HD13 LEU 9 -1.110 -6.466 23.312 98 HD21 LEU 9 HD21 LEU 9 0.741 -4.931 23.851 99 HD22 LEU 9 HD22 LEU 9 2.403 -5.517 23.909 100 HD23 LEU 9 HD23 LEU 9 1.288 -5.898 25.221 101 H GLY 10 H GLY 10 2.580 -7.719 20.802 102 HA2 GLY 10 HA2 GLY 10 5.488 -7.738 21.088 103 HA3 GLY 10 HA3 GLY 10 4.836 -8.398 19.595 104 H THR 11 H THR 11 4.716 -5.506 21.650 105 HA THR 11 HA THR 11 5.017 -3.813 19.308 106 HB THR 11 HB THR 11 2.589 -3.981 19.430 107 HG1 THR 11 HG1 THR 11 2.321 -1.558 20.170 108 HG21 THR 11 HG21 THR 11 2.836 -2.979 22.274 109 HG22 THR 11 HG22 THR 11 2.237 -4.557 21.761 110 HG23 THR 11 HG23 THR 11 1.324 -3.098 21.374 111 H GLU 12 H GLU 12 6.276 -4.591 22.048 112 HA GLU 12 HA GLU 12 6.657 -1.912 23.145 113 HB2 GLU 12 HB2 GLU 12 5.887 -3.669 24.701 114 HB3 GLU 12 HB3 GLU 12 7.337 -4.595 24.351 115 HG2 GLU 12 HG2 GLU 12 8.716 -2.907 25.360 116 HG3 GLU 12 HG3 GLU 12 7.319 -1.858 25.605 117 H ASN 13 H ASN 13 8.560 -4.778 22.445 118 HA ASN 13 HA ASN 13 11.063 -3.422 22.451 119 HB2 ASN 13 HB2 ASN 13 10.478 -5.890 23.025 120 HB3 ASN 13 HB3 ASN 13 10.587 -6.153 21.299 121 HD21 ASN 13 HD21 ASN 13 12.169 -7.505 21.485 122 HD22 ASN 13 HD22 ASN 13 13.747 -7.020 21.873 123 H LEU 14 H LEU 14 8.961 -4.773 19.912 124 HA LEU 14 HA LEU 14 10.724 -3.904 17.792 125 HB2 LEU 14 HB2 LEU 14 8.987 -4.822 16.278 126 HB3 LEU 14 HB3 LEU 14 9.583 -5.980 17.446 127 HG LEU 14 HG LEU 14 7.395 -5.111 18.766 128 HD11 LEU 14 HD11 LEU 14 5.550 -4.820 17.233 129 HD12 LEU 14 HD12 LEU 14 6.635 -4.974 15.851 130 HD13 LEU 14 HD13 LEU 14 6.773 -3.586 16.930 131 HD21 LEU 14 HD21 LEU 14 7.462 -7.237 16.627 132 HD22 LEU 14 HD22 LEU 14 6.265 -7.115 17.917 133 HD23 LEU 14 HD23 LEU 14 7.955 -7.431 18.310 134 H TYR 15 H TYR 15 10.022 -2.500 16.033 135 HA TYR 15 HA TYR 15 8.870 -0.060 17.024 136 HB2 TYR 15 HB2 TYR 15 9.938 -0.882 14.319 137 HB3 TYR 15 HB3 TYR 15 9.264 0.714 14.632 138 HD1 TYR 15 HD1 TYR 15 12.056 -1.565 15.350 139 HD2 TYR 15 HD2 TYR 15 10.470 2.337 15.952 140 HE1 TYR 15 HE1 TYR 15 14.237 -0.817 16.203 141 HE2 TYR 15 HE2 TYR 15 12.647 3.097 16.804 142 HH TYR 15 HH TYR 15 15.492 1.287 16.458 143 H PHE 16 H PHE 16 7.040 1.044 16.119 144 HA PHE 16 HA PHE 16 5.146 -0.524 14.587 145 HB2 PHE 16 HB2 PHE 16 4.811 -0.586 17.217 146 HB3 PHE 16 HB3 PHE 16 4.066 0.984 16.931 147 HD1 PHE 16 HD1 PHE 16 1.999 1.169 15.671 148 HD2 PHE 16 HD2 PHE 16 3.786 -2.618 16.431 149 HE1 PHE 16 HE1 PHE 16 -0.093 0.055 15.011 150 HE2 PHE 16 HE2 PHE 16 1.696 -3.739 15.774 151 HZ PHE 16 HZ PHE 16 -0.246 -2.402 15.061 152 H GLN 17 H GLN 17 6.727 2.352 15.083 153 HA GLN 17 HA GLN 17 4.651 4.120 14.077 154 HB2 GLN 17 HB2 GLN 17 7.518 4.546 14.905 155 HB3 GLN 17 HB3 GLN 17 6.558 5.818 14.166 156 HG2 GLN 17 HG2 GLN 17 5.533 4.392 16.581 157 HG3 GLN 17 HG3 GLN 17 6.744 5.661 16.752 158 HE21 GLN 17 HE21 GLN 17 3.471 4.923 15.827 159 HE22 GLN 17 HE22 GLN 17 2.888 6.549 15.836 160 H SER 18 H SER 18 6.766 1.971 12.670 161 HA SER 18 HA SER 18 7.478 3.526 10.336 162 HB2 SER 18 HB2 SER 18 8.453 1.360 9.535 163 HB3 SER 18 HB3 SER 18 9.076 1.890 11.096 164 HG SER 18 HG SER 18 7.357 0.464 11.983 165 H ASN 19 H ASN 19 6.829 3.058 8.191 166 HA ASN 19 HA ASN 19 4.208 1.724 7.972 167 HB2 ASN 19 HB2 ASN 19 5.223 4.221 6.611 168 HB3 ASN 19 HB3 ASN 19 3.813 3.346 6.044 169 HD21 ASN 19 HD21 ASN 19 4.267 6.005 7.073 170 HD22 ASN 19 HD22 ASN 19 3.163 6.176 8.362 171 H ALA 20 H ALA 20 7.366 2.197 6.556 172 HA ALA 20 HA ALA 20 6.842 0.756 4.129 173 HB1 ALA 20 HB1 ALA 20 9.474 1.584 5.345 174 HB2 ALA 20 HB2 ALA 20 8.513 2.545 4.222 175 HB3 ALA 20 HB3 ALA 20 9.218 1.017 3.695 176 H GLY 21 H GLY 21 7.654 -1.256 3.532 177 HA2 GLY 21 HA2 GLY 21 9.173 -3.133 4.391 178 HA3 GLY 21 HA3 GLY 21 8.109 -3.102 5.785 179 H LYS 22 H LYS 22 5.944 -2.379 3.708 180 HA LYS 22 HA LYS 22 5.276 -5.152 3.071 181 HB2 LYS 22 HB2 LYS 22 2.957 -4.398 2.839 182 HB3 LYS 22 HB3 LYS 22 3.623 -3.991 4.408 183 HG2 LYS 22 HG2 LYS 22 4.131 -1.707 3.109 184 HG3 LYS 22 HG3 LYS 22 2.693 -2.239 2.234 185 HD2 LYS 22 HD2 LYS 22 1.542 -2.528 4.418 186 HD3 LYS 22 HD3 LYS 22 2.962 -1.847 5.214 187 HE2 LYS 22 HE2 LYS 22 1.544 -0.019 5.007 188 HE3 LYS 22 HE3 LYS 22 2.625 0.146 3.625 189 HZ1 LYS 22 HZ1 LYS 22 0.925 -0.892 2.236 190 HZ2 LYS 22 HZ2 LYS 22 0.343 0.517 2.970 191 HZ3 LYS 22 HZ3 LYS 22 -0.115 -0.998 3.567 192 H MET 23 H MET 23 3.813 -5.307 0.980 193 HA MET 23 HA MET 23 5.205 -3.950 -1.164 194 HB2 MET 23 HB2 MET 23 4.435 -6.791 -0.738 195 HB3 MET 23 HB3 MET 23 4.373 -6.159 -2.366 196 HG2 MET 23 HG2 MET 23 6.766 -5.376 -1.991 197 HG3 MET 23 HG3 MET 23 6.746 -6.394 -0.554 198 HE1 MET 23 HE1 MET 23 7.172 -7.614 -4.900 199 HE2 MET 23 HE2 MET 23 8.221 -6.503 -4.020 200 HE3 MET 23 HE3 MET 23 6.529 -6.083 -4.304 201 H PHE 24 H PHE 24 4.082 -3.571 -2.960 202 HA PHE 24 HA PHE 24 1.224 -2.984 -2.743 203 HB2 PHE 24 HB2 PHE 24 2.939 -1.113 -3.051 204 HB3 PHE 24 HB3 PHE 24 3.300 -1.795 -4.621 205 HD1 PHE 24 HD1 PHE 24 -0.034 -2.317 -4.683 206 HD2 PHE 24 HD2 PHE 24 2.681 0.956 -4.460 207 HE1 PHE 24 HE1 PHE 24 -1.719 -0.842 -5.680 208 HE2 PHE 24 HE2 PHE 24 0.987 2.430 -5.457 209 HZ PHE 24 HZ PHE 24 -1.219 1.530 -6.070 210 H ILE 25 H ILE 25 0.188 -4.706 -3.685 211 HA ILE 25 HA ILE 25 1.282 -6.054 -6.000 212 HB ILE 25 HB ILE 25 -1.253 -6.846 -4.767 213 HG12 ILE 25 HG12 ILE 25 0.186 -6.329 -2.820 214 HG13 ILE 25 HG13 ILE 25 -0.234 -8.019 -2.913 215 HG21 ILE 25 HG21 ILE 25 -0.611 -8.181 -6.589 216 HG22 ILE 25 HG22 ILE 25 -0.263 -9.147 -5.156 217 HG23 ILE 25 HG23 ILE 25 1.044 -8.322 -5.998 218 HD11 ILE 25 HD11 ILE 25 2.095 -7.633 -2.213 219 HD12 ILE 25 HD12 ILE 25 2.412 -6.852 -3.761 220 HD13 ILE 25 HD13 ILE 25 1.992 -8.564 -3.706 221 H GLY 26 H GLY 26 0.709 -5.379 -7.907 222 HA2 GLY 26 HA2 GLY 26 -1.795 -3.989 -8.280 223 HA3 GLY 26 HA3 GLY 26 -0.400 -3.733 -9.269 224 H GLY 27 H GLY 27 -2.952 -4.123 -10.210 225 HA2 GLY 27 HA2 GLY 27 -3.907 -5.140 -12.030 226 HA3 GLY 27 HA3 GLY 27 -2.480 -6.144 -12.160 227 H LEU 28 H LEU 28 -4.263 -6.232 -9.151 228 HA LEU 28 HA LEU 28 -4.626 -8.982 -9.171 229 HB2 LEU 28 HB2 LEU 28 -6.302 -6.956 -7.665 230 HB3 LEU 28 HB3 LEU 28 -6.114 -8.648 -7.264 231 HG LEU 28 HG LEU 28 -3.755 -6.774 -7.258 232 HD11 LEU 28 HD11 LEU 28 -4.127 -6.427 -4.880 233 HD12 LEU 28 HD12 LEU 28 -5.621 -7.362 -4.958 234 HD13 LEU 28 HD13 LEU 28 -5.497 -5.823 -5.812 235 HD21 LEU 28 HD21 LEU 28 -3.446 -9.275 -7.188 236 HD22 LEU 28 HD22 LEU 28 -4.288 -9.266 -5.640 237 HD23 LEU 28 HD23 LEU 28 -2.765 -8.398 -5.821 238 H SER 29 H SER 29 -6.951 -10.010 -8.938 239 HA SER 29 HA SER 29 -8.484 -9.230 -11.273 240 HB2 SER 29 HB2 SER 29 -7.447 -11.576 -11.006 241 HB3 SER 29 HB3 SER 29 -8.698 -11.854 -9.795 242 HG SER 29 HG SER 29 -9.700 -12.483 -11.577 243 H TRP 30 H TRP 30 -10.810 -9.973 -10.989 244 HA TRP 30 HA TRP 30 -12.080 -8.341 -9.076 245 HB2 TRP 30 HB2 TRP 30 -14.118 -9.075 -10.206 246 HB3 TRP 30 HB3 TRP 30 -12.906 -8.625 -11.379 247 HD1 TRP 30 HD1 TRP 30 -11.306 -11.260 -11.732 248 HE1 TRP 30 HE1 TRP 30 -12.365 -13.369 -12.703 249 HE3 TRP 30 HE3 TRP 30 -16.245 -10.186 -10.878 250 HZ2 TRP 30 HZ2 TRP 30 -14.905 -14.443 -13.097 251 HZ3 TRP 30 HZ3 TRP 30 -17.931 -11.829 -11.601 252 HH2 TRP 30 HH2 TRP 30 -17.275 -13.917 -12.689 253 H GLN 31 H GLN 31 -11.057 -11.563 -9.133 254 HA GLN 31 HA GLN 31 -12.944 -12.525 -7.138 255 HB2 GLN 31 HB2 GLN 31 -10.835 -13.845 -8.812 256 HB3 GLN 31 HB3 GLN 31 -11.732 -14.703 -7.565 257 HG2 GLN 31 HG2 GLN 31 -13.829 -14.145 -8.770 258 HG3 GLN 31 HG3 GLN 31 -12.852 -13.428 -10.053 259 HE21 GLN 31 HE21 GLN 31 -13.697 -16.375 -8.408 260 HE22 GLN 31 HE22 GLN 31 -13.171 -17.455 -9.648 261 H THR 32 H THR 32 -9.675 -11.503 -7.489 262 HA THR 32 HA THR 32 -8.514 -12.761 -5.265 263 HB THR 32 HB THR 32 -7.571 -10.137 -6.187 264 HG1 THR 32 HG1 THR 32 -8.083 -11.113 -8.128 265 HG21 THR 32 HG21 THR 32 -6.197 -12.725 -5.499 266 HG22 THR 32 HG22 THR 32 -6.246 -11.268 -4.508 267 HG23 THR 32 HG23 THR 32 -5.364 -11.267 -6.035 268 H SER 33 H SER 33 -9.055 -12.553 -3.250 269 HA SER 33 HA SER 33 -10.065 -10.026 -2.147 270 HB2 SER 33 HB2 SER 33 -10.241 -12.884 -1.167 271 HB3 SER 33 HB3 SER 33 -10.811 -11.498 -0.243 272 HG SER 33 HG SER 33 -12.150 -12.841 -2.024 273 HA PRO 34 HA PRO 34 -6.375 -9.305 0.259 274 HB2 PRO 34 HB2 PRO 34 -7.372 -8.943 2.828 275 HB3 PRO 34 HB3 PRO 34 -7.262 -7.678 1.596 276 HG2 PRO 34 HG2 PRO 34 -9.611 -9.349 2.369 277 HG3 PRO 34 HG3 PRO 34 -9.544 -7.626 1.944 278 HD2 PRO 34 HD2 PRO 34 -10.436 -9.414 0.189 279 HD3 PRO 34 HD3 PRO 34 -9.424 -8.055 -0.333 280 H ASP 35 H ASP 35 -8.642 -11.663 1.331 281 HA ASP 35 HA ASP 35 -6.846 -13.085 3.068 282 HB2 ASP 35 HB2 ASP 35 -9.607 -13.291 2.259 283 HB3 ASP 35 HB3 ASP 35 -8.847 -14.824 2.569 284 H SER 36 H SER 36 -7.971 -13.214 -0.182 285 HA SER 36 HA SER 36 -6.894 -15.754 -0.911 286 HB2 SER 36 HB2 SER 36 -8.748 -14.597 -2.152 287 HB3 SER 36 HB3 SER 36 -7.567 -13.422 -2.728 288 HG SER 36 HG SER 36 -7.459 -14.848 -4.304 289 H LEU 37 H LEU 37 -5.776 -12.399 -0.941 290 HA LEU 37 HA LEU 37 -3.373 -12.822 -2.346 291 HB2 LEU 37 HB2 LEU 37 -4.943 -10.772 -1.080 292 HB3 LEU 37 HB3 LEU 37 -3.281 -10.599 -0.652 293 HG LEU 37 HG LEU 37 -4.259 -10.762 -3.479 294 HD11 LEU 37 HD11 LEU 37 -3.649 -8.334 -1.805 295 HD12 LEU 37 HD12 LEU 37 -5.232 -8.833 -2.409 296 HD13 LEU 37 HD13 LEU 37 -3.979 -8.321 -3.539 297 HD21 LEU 37 HD21 LEU 37 -1.639 -9.774 -2.358 298 HD22 LEU 37 HD22 LEU 37 -2.102 -9.784 -4.058 299 HD23 LEU 37 HD23 LEU 37 -1.885 -11.304 -3.195 300 H ARG 38 H ARG 38 -4.360 -12.721 1.033 301 HA ARG 38 HA ARG 38 -1.829 -12.915 2.218 302 HB2 ARG 38 HB2 ARG 38 -4.216 -12.295 3.203 303 HB3 ARG 38 HB3 ARG 38 -4.254 -14.012 3.571 304 HG2 ARG 38 HG2 ARG 38 -2.047 -13.686 4.754 305 HG3 ARG 38 HG3 ARG 38 -2.306 -11.951 4.570 306 HD2 ARG 38 HD2 ARG 38 -4.302 -13.785 5.884 307 HD3 ARG 38 HD3 ARG 38 -3.027 -12.953 6.774 308 HE ARG 38 HE ARG 38 -4.526 -11.115 5.220 309 HH11 ARG 38 HH11 ARG 38 -4.744 -12.999 8.174 310 HH12 ARG 38 HH12 ARG 38 -5.854 -11.903 8.927 311 HH21 ARG 38 HH21 ARG 38 -6.552 -10.033 7.823 312 HH22 ARG 38 HH22 ARG 38 -5.980 -9.694 6.224 313 H ASP 39 H ASP 39 -4.354 -15.245 1.340 314 HA ASP 39 HA ASP 39 -3.038 -17.565 2.220 315 HB2 ASP 39 HB2 ASP 39 -5.457 -16.908 0.810 316 HB3 ASP 39 HB3 ASP 39 -4.671 -18.286 0.044 317 H TYR 40 H TYR 40 -3.007 -15.875 -0.920 318 HA TYR 40 HA TYR 40 -1.551 -17.878 -2.309 319 HB2 TYR 40 HB2 TYR 40 -3.075 -15.927 -3.192 320 HB3 TYR 40 HB3 TYR 40 -1.566 -15.021 -3.193 321 HD1 TYR 40 HD1 TYR 40 0.075 -15.379 -4.868 322 HD2 TYR 40 HD2 TYR 40 -3.261 -17.993 -4.577 323 HE1 TYR 40 HE1 TYR 40 0.682 -16.379 -7.033 324 HE2 TYR 40 HE2 TYR 40 -2.673 -19.000 -6.747 325 HH TYR 40 HH TYR 40 0.330 -18.413 -8.283 326 H PHE 41 H PHE 41 -0.661 -14.716 -0.917 327 HA PHE 41 HA PHE 41 2.066 -14.872 -1.601 328 HB2 PHE 41 HB2 PHE 41 0.329 -13.036 -0.137 329 HB3 PHE 41 HB3 PHE 41 2.050 -12.895 0.128 330 HD1 PHE 41 HD1 PHE 41 -0.499 -13.080 -2.572 331 HD2 PHE 41 HD2 PHE 41 3.357 -11.704 -1.410 332 HE1 PHE 41 HE1 PHE 41 -0.263 -11.899 -4.724 333 HE2 PHE 41 HE2 PHE 41 3.591 -10.518 -3.547 334 HZ PHE 41 HZ PHE 41 1.780 -10.618 -5.211 335 H SER 42 H SER 42 0.256 -16.026 1.134 336 HA SER 42 HA SER 42 2.282 -16.110 3.103 337 HB2 SER 42 HB2 SER 42 -0.170 -16.495 3.538 338 HB3 SER 42 HB3 SER 42 0.016 -18.091 2.812 339 HG SER 42 HG SER 42 1.245 -17.092 5.161 340 H LYS 43 H LYS 43 1.850 -17.618 0.273 341 HA LYS 43 HA LYS 43 3.218 -20.092 0.754 342 HB2 LYS 43 HB2 LYS 43 1.902 -18.758 -1.554 343 HB3 LYS 43 HB3 LYS 43 3.000 -20.076 -1.858 344 HG2 LYS 43 HG2 LYS 43 1.203 -20.843 0.220 345 HG3 LYS 43 HG3 LYS 43 0.286 -20.212 -1.146 346 HD2 LYS 43 HD2 LYS 43 1.331 -21.779 -2.642 347 HD3 LYS 43 HD3 LYS 43 2.430 -22.322 -1.371 348 HE2 LYS 43 HE2 LYS 43 0.537 -23.188 -0.097 349 HE3 LYS 43 HE3 LYS 43 -0.572 -22.623 -1.345 350 HZ1 LYS 43 HZ1 LYS 43 0.453 -24.134 -2.910 351 HZ2 LYS 43 HZ2 LYS 43 -0.086 -24.990 -1.555 352 HZ3 LYS 43 HZ3 LYS 43 1.560 -24.652 -1.740 353 H PHE 44 H PHE 44 4.077 -16.907 0.033 354 HA PHE 44 HA PHE 44 6.653 -17.560 -1.193 355 HB2 PHE 44 HB2 PHE 44 4.859 -15.344 -1.274 356 HB3 PHE 44 HB3 PHE 44 6.447 -14.807 -0.763 357 HD1 PHE 44 HD1 PHE 44 8.407 -15.204 -2.243 358 HD2 PHE 44 HD2 PHE 44 4.411 -15.958 -3.499 359 HE1 PHE 44 HE1 PHE 44 9.147 -15.208 -4.588 360 HE2 PHE 44 HE2 PHE 44 5.146 -15.967 -5.846 361 HZ PHE 44 HZ PHE 44 7.518 -15.593 -6.393 362 H GLY 45 H GLY 45 5.189 -16.275 1.686 363 HA2 GLY 45 HA2 GLY 45 7.308 -16.889 3.395 364 HA3 GLY 45 HA3 GLY 45 7.275 -15.165 3.057 365 H GLU 46 H GLU 46 6.762 -14.947 5.315 366 HA GLU 46 HA GLU 46 4.098 -15.676 6.061 367 HB2 GLU 46 HB2 GLU 46 6.030 -16.229 7.601 368 HB3 GLU 46 HB3 GLU 46 6.155 -14.499 7.908 369 HG2 GLU 46 HG2 GLU 46 3.947 -14.422 8.807 370 HG3 GLU 46 HG3 GLU 46 3.631 -16.079 8.318 371 H ILE 47 H ILE 47 2.626 -14.327 6.340 372 HA ILE 47 HA ILE 47 3.079 -11.485 5.860 373 HB ILE 47 HB ILE 47 0.608 -13.044 5.362 374 HG12 ILE 47 HG12 ILE 47 1.863 -11.643 3.182 375 HG13 ILE 47 HG13 ILE 47 2.882 -12.875 3.896 376 HG21 ILE 47 HG21 ILE 47 -0.205 -10.977 4.208 377 HG22 ILE 47 HG22 ILE 47 1.144 -10.124 4.959 378 HG23 ILE 47 HG23 ILE 47 -0.108 -10.851 5.966 379 HD11 ILE 47 HD11 ILE 47 1.817 -14.094 2.233 380 HD12 ILE 47 HD12 ILE 47 0.336 -13.143 2.373 381 HD13 ILE 47 HD13 ILE 47 0.718 -14.354 3.592 382 H ARG 48 H ARG 48 2.450 -9.972 7.178 383 HA ARG 48 HA ARG 48 1.533 -10.651 9.841 384 HB2 ARG 48 HB2 ARG 48 3.339 -8.907 8.990 385 HB3 ARG 48 HB3 ARG 48 1.948 -7.863 8.852 386 HG2 ARG 48 HG2 ARG 48 1.517 -7.920 11.149 387 HG3 ARG 48 HG3 ARG 48 2.581 -9.304 11.403 388 HD2 ARG 48 HD2 ARG 48 3.695 -6.749 10.323 389 HD3 ARG 48 HD3 ARG 48 3.381 -6.902 12.052 390 HE ARG 48 HE ARG 48 4.940 -9.041 10.878 391 HH11 ARG 48 HH11 ARG 48 6.674 -6.202 13.130 392 HH12 ARG 48 HH12 ARG 48 5.058 -5.958 12.556 393 HH21 ARG 48 HH21 ARG 48 7.800 -8.116 12.617 394 HH22 ARG 48 HH22 ARG 48 7.052 -9.343 11.652 395 H GLU 49 H GLU 49 0.495 -8.846 7.000 396 HA GLU 49 HA GLU 49 -2.277 -9.118 7.547 397 HB2 GLU 49 HB2 GLU 49 -1.399 -7.140 9.058 398 HB3 GLU 49 HB3 GLU 49 -1.417 -6.239 7.551 399 HG2 GLU 49 HG2 GLU 49 -3.803 -6.739 7.290 400 HG3 GLU 49 HG3 GLU 49 -3.777 -7.618 8.818 401 H CYS 50 H CYS 50 -3.531 -8.210 5.820 402 HA CYS 50 HA CYS 50 -2.126 -7.393 3.466 403 HB2 CYS 50 HB2 CYS 50 -2.484 -9.765 3.157 404 HB3 CYS 50 HB3 CYS 50 -4.185 -9.596 3.574 405 HG CYS 50 HG CYS 50 -2.904 -9.626 0.648 406 H MET 51 H MET 51 -3.382 -6.244 2.004 407 HA MET 51 HA MET 51 -5.966 -5.280 2.825 408 HB2 MET 51 HB2 MET 51 -4.448 -3.813 3.989 409 HB3 MET 51 HB3 MET 51 -3.631 -3.483 2.490 410 HG2 MET 51 HG2 MET 51 -5.423 -2.218 1.646 411 HG3 MET 51 HG3 MET 51 -6.509 -2.792 2.912 412 HE1 MET 51 HE1 MET 51 -2.861 -1.222 2.814 413 HE2 MET 51 HE2 MET 51 -3.213 0.405 3.399 414 HE3 MET 51 HE3 MET 51 -3.873 -0.141 1.857 415 H VAL 52 H VAL 52 -7.229 -4.897 1.245 416 HA VAL 52 HA VAL 52 -6.252 -4.379 -1.457 417 HB VAL 52 HB VAL 52 -8.603 -6.044 -0.732 418 HG11 VAL 52 HG11 VAL 52 -7.537 -5.249 -3.417 419 HG12 VAL 52 HG12 VAL 52 -9.153 -4.958 -2.772 420 HG13 VAL 52 HG13 VAL 52 -8.651 -6.600 -3.187 421 HG21 VAL 52 HG21 VAL 52 -6.370 -7.078 -0.371 422 HG22 VAL 52 HG22 VAL 52 -6.099 -6.909 -2.103 423 HG23 VAL 52 HG23 VAL 52 -7.403 -7.941 -1.513 424 H MET 53 H MET 53 -6.938 -2.598 -2.242 425 HA MET 53 HA MET 53 -8.573 -0.770 -0.804 426 HB2 MET 53 HB2 MET 53 -6.804 -0.684 -3.092 427 HB3 MET 53 HB3 MET 53 -8.246 0.282 -3.369 428 HG2 MET 53 HG2 MET 53 -6.383 0.531 -1.017 429 HG3 MET 53 HG3 MET 53 -6.438 1.603 -2.413 430 HE1 MET 53 HE1 MET 53 -6.713 2.666 0.699 431 HE2 MET 53 HE2 MET 53 -7.875 3.937 0.320 432 HE3 MET 53 HE3 MET 53 -6.550 3.593 -0.792 433 H ARG 54 H ARG 54 -10.671 -0.685 -0.734 434 HA ARG 54 HA ARG 54 -12.262 -1.133 -3.157 435 HB2 ARG 54 HB2 ARG 54 -12.129 -3.008 -1.142 436 HB3 ARG 54 HB3 ARG 54 -13.558 -2.082 -0.704 437 HG2 ARG 54 HG2 ARG 54 -14.554 -2.524 -2.855 438 HG3 ARG 54 HG3 ARG 54 -13.090 -3.347 -3.396 439 HD2 ARG 54 HD2 ARG 54 -13.411 -4.977 -1.535 440 HD3 ARG 54 HD3 ARG 54 -14.961 -4.209 -1.197 441 HE ARG 54 HE ARG 54 -15.683 -4.913 -3.416 442 HH11 ARG 54 HH11 ARG 54 -13.033 -7.919 -3.134 443 HH12 ARG 54 HH12 ARG 54 -12.839 -6.523 -2.127 444 HH21 ARG 54 HH21 ARG 54 -15.915 -6.750 -4.723 445 HH22 ARG 54 HH22 ARG 54 -14.772 -8.046 -4.601 446 H ASP 55 H ASP 55 -14.373 -0.092 -3.090 447 HA ASP 55 HA ASP 55 -14.387 2.279 -1.482 448 HB2 ASP 55 HB2 ASP 55 -15.409 1.536 -4.090 449 HB3 ASP 55 HB3 ASP 55 -16.419 2.631 -3.189 450 HA PRO 56 HA PRO 56 -17.457 0.230 1.183 451 HB2 PRO 56 HB2 PRO 56 -17.786 3.013 2.168 452 HB3 PRO 56 HB3 PRO 56 -17.493 1.523 3.075 453 HG2 PRO 56 HG2 PRO 56 -15.542 3.283 2.741 454 HG3 PRO 56 HG3 PRO 56 -15.220 1.538 2.660 455 HD2 PRO 56 HD2 PRO 56 -15.437 3.518 0.436 456 HD3 PRO 56 HD3 PRO 56 -14.343 2.131 0.616 457 H THR 57 H THR 57 -18.075 2.632 -1.195 458 HA THR 57 HA THR 57 -20.834 3.030 -0.545 459 HB THR 57 HB THR 57 -20.913 4.175 -2.816 460 HG1 THR 57 HG1 THR 57 -18.929 3.023 -3.517 461 HG21 THR 57 HG21 THR 57 -20.679 5.425 -0.729 462 HG22 THR 57 HG22 THR 57 -19.707 6.156 -2.007 463 HG23 THR 57 HG23 THR 57 -18.933 5.174 -0.763 464 H THR 58 H THR 58 -19.086 1.294 -3.106 465 HA THR 58 HA THR 58 -21.513 -0.303 -3.596 466 HB THR 58 HB THR 58 -20.974 -0.408 -5.985 467 HG1 THR 58 HG1 THR 58 -18.676 -0.023 -5.735 468 HG21 THR 58 HG21 THR 58 -22.499 1.332 -5.336 469 HG22 THR 58 HG22 THR 58 -21.408 1.991 -6.556 470 HG23 THR 58 HG23 THR 58 -21.163 2.377 -4.849 471 H LYS 59 H LYS 59 -18.352 -0.358 -2.611 472 HA LYS 59 HA LYS 59 -16.720 -1.877 -2.325 473 HB2 LYS 59 HB2 LYS 59 -19.125 -3.679 -2.404 474 HB3 LYS 59 HB3 LYS 59 -17.501 -4.316 -2.130 475 HG2 LYS 59 HG2 LYS 59 -17.645 -3.740 0.008 476 HG3 LYS 59 HG3 LYS 59 -17.809 -2.052 -0.492 477 HD2 LYS 59 HD2 LYS 59 -20.258 -2.451 -0.767 478 HD3 LYS 59 HD3 LYS 59 -20.027 -4.049 -0.053 479 HE2 LYS 59 HE2 LYS 59 -19.182 -3.039 1.987 480 HE3 LYS 59 HE3 LYS 59 -19.323 -1.434 1.272 481 HZ1 LYS 59 HZ1 LYS 59 -21.712 -1.733 1.144 482 HZ2 LYS 59 HZ2 LYS 59 -21.181 -1.929 2.738 483 HZ3 LYS 59 HZ3 LYS 59 -21.584 -3.284 1.811 484 H ARG 60 H ARG 60 -16.530 -0.882 -4.562 485 HA ARG 60 HA ARG 60 -16.212 -2.921 -6.641 486 HB2 ARG 60 HB2 ARG 60 -15.855 -1.004 -8.169 487 HB3 ARG 60 HB3 ARG 60 -17.396 -0.935 -7.332 488 HG2 ARG 60 HG2 ARG 60 -16.619 0.801 -5.883 489 HG3 ARG 60 HG3 ARG 60 -14.970 0.642 -6.489 490 HD2 ARG 60 HD2 ARG 60 -15.834 2.532 -7.578 491 HD3 ARG 60 HD3 ARG 60 -15.932 1.241 -8.774 492 HE ARG 60 HE ARG 60 -18.313 1.745 -7.173 493 HH11 ARG 60 HH11 ARG 60 -18.142 2.615 -11.089 494 HH12 ARG 60 HH12 ARG 60 -16.684 2.207 -10.248 495 HH21 ARG 60 HH21 ARG 60 -20.210 2.285 -8.292 496 HH22 ARG 60 HH22 ARG 60 -20.135 2.659 -9.982 497 H SER 61 H SER 61 -14.277 -3.681 -7.249 498 HA SER 61 HA SER 61 -11.900 -2.724 -5.847 499 HB2 SER 61 HB2 SER 61 -12.304 -5.162 -7.598 500 HB3 SER 61 HB3 SER 61 -10.842 -4.787 -6.688 501 HG SER 61 HG SER 61 -11.858 -5.987 -5.255 502 H ARG 62 H ARG 62 -10.084 -1.922 -6.834 503 HA ARG 62 HA ARG 62 -10.422 -1.004 -9.588 504 HB2 ARG 62 HB2 ARG 62 -8.678 -0.127 -7.310 505 HB3 ARG 62 HB3 ARG 62 -8.289 0.345 -8.959 506 HG2 ARG 62 HG2 ARG 62 -10.500 1.388 -9.171 507 HG3 ARG 62 HG3 ARG 62 -10.862 0.938 -7.505 508 HD2 ARG 62 HD2 ARG 62 -9.040 2.324 -6.705 509 HD3 ARG 62 HD3 ARG 62 -8.580 2.714 -8.363 510 HE ARG 62 HE ARG 62 -11.179 3.510 -8.188 511 HH11 ARG 62 HH11 ARG 62 -8.839 5.876 -5.938 512 HH12 ARG 62 HH12 ARG 62 -8.293 4.283 -6.341 513 HH21 ARG 62 HH21 ARG 62 -11.870 5.601 -7.655 514 HH22 ARG 62 HH22 ARG 62 -10.863 6.621 -6.681 515 H GLY 63 H GLY 63 -8.911 -3.487 -7.932 516 HA2 GLY 63 HA2 GLY 63 -7.757 -5.261 -8.939 517 HA3 GLY 63 HA3 GLY 63 -7.365 -4.213 -10.290 518 H PHE 64 H PHE 64 -6.781 -3.362 -6.906 519 HA PHE 64 HA PHE 64 -4.003 -4.115 -7.026 520 HB2 PHE 64 HB2 PHE 64 -3.003 -1.990 -6.907 521 HB3 PHE 64 HB3 PHE 64 -4.131 -1.917 -8.244 522 HD1 PHE 64 HD1 PHE 64 -3.691 -1.016 -4.715 523 HD2 PHE 64 HD2 PHE 64 -5.772 -0.270 -8.319 524 HE1 PHE 64 HE1 PHE 64 -4.656 1.029 -3.711 525 HE2 PHE 64 HE2 PHE 64 -6.767 1.768 -7.344 526 HZ PHE 64 HZ PHE 64 -6.208 2.419 -5.032 527 H GLY 65 H GLY 65 -2.885 -4.011 -5.012 528 HA2 GLY 65 HA2 GLY 65 -4.188 -3.096 -2.677 529 HA3 GLY 65 HA3 GLY 65 -4.174 -4.847 -2.812 530 H PHE 66 H PHE 66 -2.886 -4.483 -0.815 531 HA PHE 66 HA PHE 66 -0.083 -4.442 -1.344 532 HB2 PHE 66 HB2 PHE 66 -1.594 -3.105 0.835 533 HB3 PHE 66 HB3 PHE 66 0.115 -3.350 0.886 534 HD1 PHE 66 HD1 PHE 66 -2.602 -1.671 -0.906 535 HD2 PHE 66 HD2 PHE 66 1.593 -1.846 -0.228 536 HE1 PHE 66 HE1 PHE 66 -2.325 0.477 -2.091 537 HE2 PHE 66 HE2 PHE 66 1.882 0.294 -1.410 538 HZ PHE 66 HZ PHE 66 -0.080 1.457 -2.345 539 H VAL 67 H VAL 67 1.107 -5.533 0.352 540 HA VAL 67 HA VAL 67 -0.329 -7.297 2.150 541 HB VAL 67 HB VAL 67 1.618 -8.362 0.072 542 HG11 VAL 67 HG11 VAL 67 2.335 -9.708 1.751 543 HG12 VAL 67 HG12 VAL 67 0.847 -10.590 1.402 544 HG13 VAL 67 HG13 VAL 67 0.895 -9.428 2.733 545 HG21 VAL 67 HG21 VAL 67 -0.160 -9.842 -0.614 546 HG22 VAL 67 HG22 VAL 67 -0.753 -8.179 -0.649 547 HG23 VAL 67 HG23 VAL 67 -1.199 -9.246 0.679 548 H THR 68 H THR 68 0.639 -7.547 3.941 549 HA THR 68 HA THR 68 3.187 -6.201 4.290 550 HB THR 68 HB THR 68 1.354 -6.803 6.503 551 HG1 THR 68 HG1 THR 68 0.379 -5.661 4.500 552 HG21 THR 68 HG21 THR 68 2.652 -4.207 6.412 553 HG22 THR 68 HG22 THR 68 3.807 -5.544 6.250 554 HG23 THR 68 HG23 THR 68 2.736 -5.459 7.659 555 H PHE 69 H PHE 69 4.721 -7.595 4.197 556 HA PHE 69 HA PHE 69 4.516 -10.227 5.248 557 HB2 PHE 69 HB2 PHE 69 6.516 -8.691 3.699 558 HB3 PHE 69 HB3 PHE 69 7.052 -10.118 4.566 559 HD1 PHE 69 HD1 PHE 69 5.211 -8.848 1.760 560 HD2 PHE 69 HD2 PHE 69 6.033 -12.328 4.062 561 HE1 PHE 69 HE1 PHE 69 4.316 -10.255 -0.051 562 HE2 PHE 69 HE2 PHE 69 5.144 -13.745 2.260 563 HZ PHE 69 HZ PHE 69 4.288 -12.713 0.203 564 H ALA 70 H ALA 70 5.066 -10.889 7.234 565 HA ALA 70 HA ALA 70 6.051 -9.093 9.152 566 HB1 ALA 70 HB1 ALA 70 5.804 -10.872 10.762 567 HB2 ALA 70 HB2 ALA 70 5.684 -12.049 9.455 568 HB3 ALA 70 HB3 ALA 70 4.412 -10.850 9.680 569 H ASP 71 H ASP 71 7.716 -10.477 6.912 570 HA ASP 71 HA ASP 71 10.179 -10.531 8.418 571 HB2 ASP 71 HB2 ASP 71 9.236 -12.768 7.574 572 HB3 ASP 71 HB3 ASP 71 9.766 -12.235 6.013 573 HA PRO 72 HA PRO 72 11.351 -7.592 5.199 574 HB2 PRO 72 HB2 PRO 72 14.072 -7.870 6.080 575 HB3 PRO 72 HB3 PRO 72 13.020 -6.485 6.174 576 HG2 PRO 72 HG2 PRO 72 13.816 -7.818 8.376 577 HG3 PRO 72 HG3 PRO 72 12.244 -6.999 8.263 578 HD2 PRO 72 HD2 PRO 72 12.882 -9.904 7.968 579 HD3 PRO 72 HD3 PRO 72 11.509 -9.117 8.775 580 H ALA 73 H ALA 73 12.563 -10.705 5.720 581 HA ALA 73 HA ALA 73 14.353 -10.786 3.493 582 HB1 ALA 73 HB1 ALA 73 13.302 -13.073 5.125 583 HB2 ALA 73 HB2 ALA 73 14.770 -12.159 5.474 584 HB3 ALA 73 HB3 ALA 73 14.663 -13.132 4.006 585 H SER 74 H SER 74 11.049 -11.482 4.040 586 HA SER 74 HA SER 74 10.603 -13.108 1.745 587 HB2 SER 74 HB2 SER 74 9.128 -12.890 3.850 588 HB3 SER 74 HB3 SER 74 8.452 -11.474 3.041 589 HG SER 74 HG SER 74 8.483 -14.148 2.095 590 H VAL 75 H VAL 75 10.604 -9.717 2.353 591 HA VAL 75 HA VAL 75 9.364 -8.839 -0.029 592 HB VAL 75 HB VAL 75 11.415 -7.285 1.557 593 HG11 VAL 75 HG11 VAL 75 9.099 -6.377 -0.159 594 HG12 VAL 75 HG12 VAL 75 10.815 -6.211 -0.527 595 HG13 VAL 75 HG13 VAL 75 10.112 -5.310 0.815 596 HG21 VAL 75 HG21 VAL 75 8.455 -7.522 2.110 597 HG22 VAL 75 HG22 VAL 75 9.538 -6.361 2.878 598 HG23 VAL 75 HG23 VAL 75 9.769 -8.090 3.140 599 H ASP 76 H ASP 76 12.574 -9.707 0.852 600 HA ASP 76 HA ASP 76 13.919 -8.790 -1.451 601 HB2 ASP 76 HB2 ASP 76 14.729 -9.545 0.954 602 HB3 ASP 76 HB3 ASP 76 14.918 -11.083 0.144 603 H LYS 77 H LYS 77 12.480 -11.745 -0.425 604 HA LYS 77 HA LYS 77 13.233 -13.396 -2.564 605 HB2 LYS 77 HB2 LYS 77 11.002 -13.663 -0.571 606 HB3 LYS 77 HB3 LYS 77 11.402 -14.909 -1.744 607 HG2 LYS 77 HG2 LYS 77 13.766 -14.795 -0.716 608 HG3 LYS 77 HG3 LYS 77 12.967 -13.980 0.628 609 HD2 LYS 77 HD2 LYS 77 11.397 -15.910 0.779 610 HD3 LYS 77 HD3 LYS 77 12.361 -16.731 -0.448 611 HE2 LYS 77 HE2 LYS 77 13.165 -17.577 1.578 612 HE3 LYS 77 HE3 LYS 77 14.347 -16.352 1.116 613 HZ1 LYS 77 HZ1 LYS 77 13.797 -16.163 3.445 614 HZ2 LYS 77 HZ2 LYS 77 12.151 -16.006 3.087 615 HZ3 LYS 77 HZ3 LYS 77 13.238 -14.797 2.620 616 H VAL 78 H VAL 78 10.338 -11.531 -1.942 617 HA VAL 78 HA VAL 78 8.981 -12.421 -4.300 618 HB VAL 78 HB VAL 78 8.244 -10.131 -2.457 619 HG11 VAL 78 HG11 VAL 78 7.207 -10.035 -4.737 620 HG12 VAL 78 HG12 VAL 78 6.048 -10.199 -3.417 621 HG13 VAL 78 HG13 VAL 78 6.465 -11.602 -4.403 622 HG21 VAL 78 HG21 VAL 78 7.290 -12.996 -2.510 623 HG22 VAL 78 HG22 VAL 78 6.617 -11.718 -1.500 624 HG23 VAL 78 HG23 VAL 78 8.283 -12.244 -1.260 625 H LEU 79 H LEU 79 11.014 -9.693 -3.456 626 HA LEU 79 HA LEU 79 10.376 -8.047 -5.676 627 HB2 LEU 79 HB2 LEU 79 11.700 -7.750 -3.324 628 HB3 LEU 79 HB3 LEU 79 13.032 -7.855 -4.436 629 HG LEU 79 HG LEU 79 10.842 -5.792 -4.366 630 HD11 LEU 79 HD11 LEU 79 13.829 -5.546 -4.096 631 HD12 LEU 79 HD12 LEU 79 12.663 -5.489 -2.775 632 HD13 LEU 79 HD13 LEU 79 12.662 -4.226 -4.005 633 HD21 LEU 79 HD21 LEU 79 11.135 -6.110 -6.674 634 HD22 LEU 79 HD22 LEU 79 12.886 -6.277 -6.514 635 HD23 LEU 79 HD23 LEU 79 12.121 -4.706 -6.264 636 H GLY 80 H GLY 80 12.604 -10.675 -5.077 637 HA2 GLY 80 HA2 GLY 80 14.235 -10.288 -7.352 638 HA3 GLY 80 HA3 GLY 80 14.192 -11.721 -6.359 639 H GLN 81 H GLN 81 11.295 -12.018 -6.757 640 HA GLN 81 HA GLN 81 11.357 -13.242 -9.389 641 HB2 GLN 81 HB2 GLN 81 9.725 -13.621 -6.901 642 HB3 GLN 81 HB3 GLN 81 9.203 -14.284 -8.433 643 HG2 GLN 81 HG2 GLN 81 11.252 -15.559 -8.625 644 HG3 GLN 81 HG3 GLN 81 11.848 -14.821 -7.138 645 HE21 GLN 81 HE21 GLN 81 11.331 -15.708 -5.233 646 HE22 GLN 81 HE22 GLN 81 10.292 -17.073 -5.030 647 HA PRO 82 HA PRO 82 8.826 -9.560 -10.471 648 HB2 PRO 82 HB2 PRO 82 9.591 -10.050 -13.221 649 HB3 PRO 82 HB3 PRO 82 10.018 -8.687 -12.182 650 HG2 PRO 82 HG2 PRO 82 11.827 -10.531 -13.024 651 HG3 PRO 82 HG3 PRO 82 11.979 -9.632 -11.502 652 HD2 PRO 82 HD2 PRO 82 11.029 -12.430 -11.951 653 HD3 PRO 82 HD3 PRO 82 12.068 -11.773 -10.667 654 H HIS 83 H HIS 83 8.788 -12.747 -11.999 655 HA HIS 83 HA HIS 83 6.320 -12.246 -13.412 656 HB2 HIS 83 HB2 HIS 83 8.290 -13.819 -14.075 657 HB3 HIS 83 HB3 HIS 83 7.506 -14.971 -13.004 658 HD1 HIS 83 HD1 HIS 83 7.245 -13.410 -16.351 659 HD2 HIS 83 HD2 HIS 83 4.943 -15.867 -13.915 660 HE1 HIS 83 HE1 HIS 83 5.450 -14.344 -17.843 661 HE2 HIS 83 HE2 HIS 83 4.068 -15.831 -16.348 662 H HIS 84 H HIS 84 4.426 -12.250 -12.460 663 HA HIS 84 HA HIS 84 3.780 -14.208 -10.383 664 HB2 HIS 84 HB2 HIS 84 4.265 -11.601 -9.771 665 HB3 HIS 84 HB3 HIS 84 2.540 -11.537 -10.107 666 HD1 HIS 84 HD1 HIS 84 0.968 -12.834 -8.503 667 HD2 HIS 84 HD2 HIS 84 4.981 -12.954 -7.433 668 HE1 HIS 84 HE1 HIS 84 1.010 -13.709 -6.147 669 HE2 HIS 84 HE2 HIS 84 3.449 -13.781 -5.520 670 H GLU 85 H GLU 85 2.037 -15.294 -11.021 671 HA GLU 85 HA GLU 85 0.210 -14.088 -12.876 672 HB2 GLU 85 HB2 GLU 85 1.712 -16.202 -13.467 673 HB3 GLU 85 HB3 GLU 85 0.400 -17.046 -12.656 674 HG2 GLU 85 HG2 GLU 85 -1.200 -16.080 -14.216 675 HG3 GLU 85 HG3 GLU 85 0.103 -15.206 -15.019 676 H LEU 86 H LEU 86 -1.800 -14.048 -12.419 677 HA LEU 86 HA LEU 86 -3.046 -15.618 -10.359 678 HB2 LEU 86 HB2 LEU 86 -2.425 -13.670 -9.128 679 HB3 LEU 86 HB3 LEU 86 -2.845 -12.624 -10.459 680 HG LEU 86 HG LEU 86 -5.241 -13.532 -10.059 681 HD11 LEU 86 HD11 LEU 86 -5.688 -13.874 -7.636 682 HD12 LEU 86 HD12 LEU 86 -3.947 -13.958 -7.370 683 HD13 LEU 86 HD13 LEU 86 -4.745 -15.171 -8.371 684 HD21 LEU 86 HD21 LEU 86 -4.787 -11.227 -9.904 685 HD22 LEU 86 HD22 LEU 86 -3.829 -11.437 -8.439 686 HD23 LEU 86 HD23 LEU 86 -5.578 -11.661 -8.390 687 H ASP 87 H ASP 87 -5.026 -16.118 -10.955 688 HA ASP 87 HA ASP 87 -6.803 -16.613 -12.269 689 HB2 ASP 87 HB2 ASP 87 -7.252 -14.403 -11.252 690 HB3 ASP 87 HB3 ASP 87 -6.782 -13.672 -12.758 691 H SER 88 H SER 88 -4.375 -16.831 -13.454 692 HA SER 88 HA SER 88 -3.400 -17.443 -15.424 693 HB2 SER 88 HB2 SER 88 -6.092 -16.816 -16.672 694 HB3 SER 88 HB3 SER 88 -4.756 -17.625 -17.492 695 HG SER 88 HG SER 88 -6.005 -19.244 -16.724 696 H LYS 89 H LYS 89 -3.897 -14.456 -14.509 697 HA LYS 89 HA LYS 89 -2.664 -13.305 -16.883 698 HB2 LYS 89 HB2 LYS 89 -3.693 -11.076 -15.912 699 HB3 LYS 89 HB3 LYS 89 -4.590 -12.093 -17.015 700 HG2 LYS 89 HG2 LYS 89 -5.757 -13.093 -15.056 701 HG3 LYS 89 HG3 LYS 89 -4.910 -11.943 -14.019 702 HD2 LYS 89 HD2 LYS 89 -5.936 -10.087 -15.201 703 HD3 LYS 89 HD3 LYS 89 -6.730 -11.204 -16.311 704 HE2 LYS 89 HE2 LYS 89 -7.967 -12.173 -14.423 705 HE3 LYS 89 HE3 LYS 89 -7.190 -11.022 -13.335 706 HZ1 LYS 89 HZ1 LYS 89 -8.233 -9.216 -14.530 707 HZ2 LYS 89 HZ2 LYS 89 -9.413 -10.306 -14.002 708 HZ3 LYS 89 HZ3 LYS 89 -8.938 -10.296 -15.625 709 H THR 90 H THR 90 -1.242 -11.710 -16.548 710 HA THR 90 HA THR 90 0.510 -12.088 -14.285 711 HB THR 90 HB THR 90 0.975 -10.115 -16.516 712 HG1 THR 90 HG1 THR 90 1.712 -11.785 -17.789 713 HG21 THR 90 HG21 THR 90 3.328 -10.693 -16.159 714 HG22 THR 90 HG22 THR 90 2.865 -11.852 -14.915 715 HG23 THR 90 HG23 THR 90 2.592 -10.128 -14.659 716 H ILE 91 H ILE 91 0.644 -10.832 -12.532 717 HA ILE 91 HA ILE 91 -0.612 -8.168 -12.579 718 HB ILE 91 HB ILE 91 -1.017 -8.384 -10.186 719 HG12 ILE 91 HG12 ILE 91 -0.081 -11.208 -10.395 720 HG13 ILE 91 HG13 ILE 91 0.822 -9.942 -9.593 721 HG21 ILE 91 HG21 ILE 91 -2.732 -9.032 -11.761 722 HG22 ILE 91 HG22 ILE 91 -2.802 -10.062 -10.331 723 HG23 ILE 91 HG23 ILE 91 -2.078 -10.670 -11.820 724 HD11 ILE 91 HD11 ILE 91 -0.384 -10.160 -7.726 725 HD12 ILE 91 HD12 ILE 91 -1.019 -11.649 -8.427 726 HD13 ILE 91 HD13 ILE 91 -1.915 -10.130 -8.621 727 H ASP 92 H ASP 92 0.419 -6.617 -10.778 728 HA ASP 92 HA ASP 92 3.316 -6.798 -11.302 729 HB2 ASP 92 HB2 ASP 92 1.900 -4.986 -12.411 730 HB3 ASP 92 HB3 ASP 92 1.811 -4.247 -10.818 731 HA PRO 93 HA PRO 93 3.395 -6.632 -6.708 732 HB2 PRO 93 HB2 PRO 93 5.633 -8.422 -6.708 733 HB3 PRO 93 HB3 PRO 93 3.980 -8.767 -6.190 734 HG2 PRO 93 HG2 PRO 93 5.190 -9.911 -8.384 735 HG3 PRO 93 HG3 PRO 93 3.438 -9.788 -8.141 736 HD2 PRO 93 HD2 PRO 93 5.233 -8.095 -9.824 737 HD3 PRO 93 HD3 PRO 93 3.576 -8.653 -10.138 738 H LYS 94 H LYS 94 4.420 -4.932 -5.842 739 HA LYS 94 HA LYS 94 7.261 -4.501 -6.389 740 HB2 LYS 94 HB2 LYS 94 6.899 -2.062 -6.803 741 HB3 LYS 94 HB3 LYS 94 6.260 -3.097 -8.067 742 HG2 LYS 94 HG2 LYS 94 4.040 -2.819 -6.595 743 HG3 LYS 94 HG3 LYS 94 4.847 -1.307 -6.178 744 HD2 LYS 94 HD2 LYS 94 5.020 -0.719 -8.525 745 HD3 LYS 94 HD3 LYS 94 4.305 -2.265 -8.988 746 HE2 LYS 94 HE2 LYS 94 2.239 -1.657 -7.832 747 HE3 LYS 94 HE3 LYS 94 2.952 -0.116 -7.358 748 HZ1 LYS 94 HZ1 LYS 94 2.433 -1.009 -10.143 749 HZ2 LYS 94 HZ2 LYS 94 3.144 0.462 -9.704 750 HZ3 LYS 94 HZ3 LYS 94 1.537 0.143 -9.286 751 H VAL 95 H VAL 95 8.236 -2.832 -4.898 752 HA VAL 95 HA VAL 95 7.072 -3.137 -2.235 753 HB VAL 95 HB VAL 95 9.792 -2.116 -2.882 754 HG11 VAL 95 HG11 VAL 95 9.114 -1.485 -0.657 755 HG12 VAL 95 HG12 VAL 95 10.316 -2.770 -0.548 756 HG13 VAL 95 HG13 VAL 95 8.607 -3.139 -0.315 757 HG21 VAL 95 HG21 VAL 95 9.281 -4.483 -3.662 758 HG22 VAL 95 HG22 VAL 95 9.197 -4.902 -1.949 759 HG23 VAL 95 HG23 VAL 95 10.696 -4.266 -2.633 760 H ALA 96 H ALA 96 6.703 -1.423 -0.827 761 HA ALA 96 HA ALA 96 5.654 0.930 -1.909 762 HB1 ALA 96 HB1 ALA 96 5.256 1.588 0.400 763 HB2 ALA 96 HB2 ALA 96 6.339 0.313 0.958 764 HB3 ALA 96 HB3 ALA 96 4.832 -0.104 0.144 765 H PHE 97 H PHE 97 6.231 3.163 -1.111 766 HA PHE 97 HA PHE 97 9.082 3.625 -1.412 767 HB2 PHE 97 HB2 PHE 97 6.593 5.124 -2.100 768 HB3 PHE 97 HB3 PHE 97 8.073 6.016 -1.827 769 HD1 PHE 97 HD1 PHE 97 6.584 3.304 -3.861 770 HD2 PHE 97 HD2 PHE 97 9.712 6.173 -3.501 771 HE1 PHE 97 HE1 PHE 97 7.292 2.820 -6.168 772 HE2 PHE 97 HE2 PHE 97 10.424 5.690 -5.806 773 HZ PHE 97 HZ PHE 97 9.215 4.012 -7.141 774 HA PRO 98 HA PRO 98 9.213 5.067 2.842 775 HB2 PRO 98 HB2 PRO 98 11.581 6.663 2.125 776 HB3 PRO 98 HB3 PRO 98 11.463 5.250 3.186 777 HG2 PRO 98 HG2 PRO 98 12.681 5.035 0.841 778 HG3 PRO 98 HG3 PRO 98 11.615 3.737 1.429 779 HD2 PRO 98 HD2 PRO 98 10.950 5.946 -0.492 780 HD3 PRO 98 HD3 PRO 98 10.746 4.190 -0.689 781 H ARG 99 H ARG 99 9.859 7.260 4.045 782 HA ARG 99 HA ARG 99 7.845 9.163 3.347 783 HB2 ARG 99 HB2 ARG 99 9.762 8.756 5.570 784 HB3 ARG 99 HB3 ARG 99 9.183 10.398 5.324 785 HG2 ARG 99 HG2 ARG 99 6.925 9.740 5.658 786 HG3 ARG 99 HG3 ARG 99 7.355 8.029 5.619 787 HD2 ARG 99 HD2 ARG 99 8.594 9.830 7.657 788 HD3 ARG 99 HD3 ARG 99 6.958 9.220 7.907 789 HE ARG 99 HE ARG 99 8.293 6.969 7.364 790 HH11 ARG 99 HH11 ARG 99 9.078 9.577 9.583 791 HH12 ARG 99 HH12 ARG 99 9.932 8.542 10.677 792 HH21 ARG 99 HH21 ARG 99 10.114 6.311 10.244 793 HH22 ARG 99 HH22 ARG 99 9.403 5.632 8.818 794 H ARG 100 H ARG 100 8.127 11.432 3.070 795 HA ARG 100 HA ARG 100 8.822 13.231 1.897 796 HB2 ARG 100 HB2 ARG 100 11.181 12.460 3.532 797 HB3 ARG 100 HB3 ARG 100 11.426 13.684 2.294 798 HG2 ARG 100 HG2 ARG 100 9.126 13.979 4.164 799 HG3 ARG 100 HG3 ARG 100 10.753 14.350 4.739 800 HD2 ARG 100 HD2 ARG 100 11.032 16.083 3.198 801 HD3 ARG 100 HD3 ARG 100 9.723 15.504 2.169 802 HE ARG 100 HE ARG 100 8.703 16.221 4.699 803 HH11 ARG 100 HH11 ARG 100 9.069 19.185 2.012 804 HH12 ARG 100 HH12 ARG 100 9.970 17.723 1.790 805 HH21 ARG 100 HH21 ARG 100 7.522 18.140 4.966 806 HH22 ARG 100 HH22 ARG 100 7.684 19.420 3.810 807 H ALA 101 H ALA 101 8.465 12.650 -0.192 808 HA ALA 101 HA ALA 101 10.745 11.714 -1.730 809 HB1 ALA 101 HB1 ALA 101 9.366 10.529 -3.121 810 HB2 ALA 101 HB2 ALA 101 8.009 11.625 -2.876 811 HB3 ALA 101 HB3 ALA 101 8.428 10.450 -1.629 812 H GLN 102 H GLN 102 10.212 12.466 -4.243 813 HA GLN 102 HA GLN 102 10.026 15.400 -4.091 814 HB2 GLN 102 HB2 GLN 102 11.600 13.593 -5.910 815 HB3 GLN 102 HB3 GLN 102 11.274 15.267 -6.340 816 HG2 GLN 102 HG2 GLN 102 12.343 15.945 -4.190 817 HG3 GLN 102 HG3 GLN 102 12.810 14.261 -3.959 818 HE21 GLN 102 HE21 GLN 102 14.367 13.351 -5.308 819 HE22 GLN 102 HE22 GLN 102 15.426 14.320 -6.269 820 HA PRO 103 HA PRO 103 6.310 14.842 -6.566 821 HB2 PRO 103 HB2 PRO 103 5.581 17.421 -6.804 822 HB3 PRO 103 HB3 PRO 103 5.433 16.548 -5.271 823 HG2 PRO 103 HG2 PRO 103 7.545 18.471 -6.142 824 HG3 PRO 103 HG3 PRO 103 6.726 18.339 -4.572 825 HD2 PRO 103 HD2 PRO 103 9.211 17.319 -5.057 826 HD3 PRO 103 HD3 PRO 103 8.094 16.652 -3.851 827 H LYS 104 H LYS 104 5.369 15.790 -8.627 828 HA LYS 104 HA LYS 104 7.422 15.824 -10.677 829 HB2 LYS 104 HB2 LYS 104 4.407 15.744 -10.765 830 HB3 LYS 104 HB3 LYS 104 5.386 15.898 -12.217 831 HG2 LYS 104 HG2 LYS 104 6.401 13.763 -11.834 832 HG3 LYS 104 HG3 LYS 104 5.622 13.625 -10.257 833 HD2 LYS 104 HD2 LYS 104 3.782 12.759 -11.186 834 HD3 LYS 104 HD3 LYS 104 3.651 14.129 -12.289 835 HE2 LYS 104 HE2 LYS 104 3.809 12.170 -13.624 836 HE3 LYS 104 HE3 LYS 104 5.358 13.003 -13.744 837 HZ1 LYS 104 HZ1 LYS 104 5.647 10.622 -13.450 838 HZ2 LYS 104 HZ2 LYS 104 4.784 10.669 -11.996 839 HZ3 LYS 104 HZ3 LYS 104 6.272 11.462 -12.121 840 H MET 105 H MET 105 7.666 17.450 -12.261 841 HA MET 105 HA MET 105 6.468 20.051 -11.621 842 HB2 MET 105 HB2 MET 105 8.662 21.136 -12.214 843 HB3 MET 105 HB3 MET 105 8.655 20.233 -10.709 844 HG2 MET 105 HG2 MET 105 9.835 18.398 -11.764 845 HG3 MET 105 HG3 MET 105 9.755 19.209 -13.326 846 HE1 MET 105 HE1 MET 105 12.370 21.969 -13.153 847 HE2 MET 105 HE2 MET 105 10.610 22.079 -13.134 848 HE3 MET 105 HE3 MET 105 11.408 20.900 -14.174 849 H VAL 106 H VAL 106 7.215 17.746 -13.964 850 HA VAL 106 HA VAL 106 6.897 19.613 -16.194 851 HB VAL 106 HB VAL 106 7.376 16.668 -16.524 852 HG11 VAL 106 HG11 VAL 106 6.874 17.904 -18.541 853 HG12 VAL 106 HG12 VAL 106 8.562 17.396 -18.568 854 HG13 VAL 106 HG13 VAL 106 8.150 19.068 -18.182 855 HG21 VAL 106 HG21 VAL 106 9.087 17.407 -14.942 856 HG22 VAL 106 HG22 VAL 106 9.549 18.706 -16.042 857 HG23 VAL 106 HG23 VAL 106 9.797 17.024 -16.512 858 H THR 107 H THR 107 5.400 18.987 -17.941 859 HA THR 107 HA THR 107 2.989 17.774 -16.893 860 HB THR 107 HB THR 107 3.060 19.638 -19.250 861 HG1 THR 107 HG1 THR 107 3.782 21.022 -17.769 862 HG21 THR 107 HG21 THR 107 0.981 18.361 -18.886 863 HG22 THR 107 HG22 THR 107 0.733 20.088 -18.630 864 HG23 THR 107 HG23 THR 107 0.880 19.004 -17.247 865 H ARG 108 H ARG 108 4.735 18.226 -19.971 866 HA ARG 108 HA ARG 108 3.553 15.756 -21.012 867 HB2 ARG 108 HB2 ARG 108 4.802 18.164 -22.245 868 HB3 ARG 108 HB3 ARG 108 4.904 16.641 -23.119 869 HG2 ARG 108 HG2 ARG 108 2.473 16.444 -23.073 870 HG3 ARG 108 HG3 ARG 108 2.365 17.966 -22.184 871 HD2 ARG 108 HD2 ARG 108 3.185 19.207 -24.021 872 HD3 ARG 108 HD3 ARG 108 3.705 17.750 -24.867 873 HE ARG 108 HE ARG 108 0.893 17.758 -24.400 874 HH11 ARG 108 HH11 ARG 108 3.351 19.063 -26.539 875 HH12 ARG 108 HH12 ARG 108 2.256 19.263 -27.865 876 HH21 ARG 108 HH21 ARG 108 0.064 18.676 -27.645 877 HH22 ARG 108 HH22 ARG 108 -0.524 18.023 -26.152 878 H THR 109 H THR 109 4.736 14.008 -21.655 879 HA THR 109 HA THR 109 7.496 13.879 -20.657 880 HB THR 109 HB THR 109 7.173 11.370 -20.985 881 HG1 THR 109 HG1 THR 109 4.455 11.589 -20.751 882 HG21 THR 109 HG21 THR 109 5.861 11.126 -18.901 883 HG22 THR 109 HG22 THR 109 5.426 12.833 -19.002 884 HG23 THR 109 HG23 THR 109 7.111 12.363 -18.775 885 H LYS 110 H LYS 110 9.114 13.975 -22.056 886 HA LYS 110 HA LYS 110 8.656 13.607 -24.872 887 HB2 LYS 110 HB2 LYS 110 10.890 14.771 -23.257 888 HB3 LYS 110 HB3 LYS 110 11.148 14.340 -24.941 889 HG2 LYS 110 HG2 LYS 110 9.257 15.823 -25.556 890 HG3 LYS 110 HG3 LYS 110 9.155 16.324 -23.866 891 HD2 LYS 110 HD2 LYS 110 11.394 17.219 -23.950 892 HD3 LYS 110 HD3 LYS 110 11.621 16.597 -25.585 893 HE2 LYS 110 HE2 LYS 110 11.149 18.893 -25.836 894 HE3 LYS 110 HE3 LYS 110 9.662 18.050 -26.264 895 HZ1 LYS 110 HZ1 LYS 110 9.185 19.936 -24.863 896 HZ2 LYS 110 HZ2 LYS 110 10.240 19.372 -23.667 897 HZ3 LYS 110 HZ3 LYS 110 8.829 18.510 -24.023 898 H LYS 111 H LYS 111 9.796 12.157 -26.185 899 HA LYS 111 HA LYS 111 10.659 9.758 -24.870 900 HB2 LYS 111 HB2 LYS 111 9.627 10.460 -27.508 901 HB3 LYS 111 HB3 LYS 111 10.937 9.289 -27.565 902 HG2 LYS 111 HG2 LYS 111 9.708 7.853 -26.002 903 HG3 LYS 111 HG3 LYS 111 8.385 9.021 -25.989 904 HD2 LYS 111 HD2 LYS 111 7.935 8.648 -28.305 905 HD3 LYS 111 HD3 LYS 111 9.403 7.688 -28.494 906 HE2 LYS 111 HE2 LYS 111 7.175 6.895 -26.634 907 HE3 LYS 111 HE3 LYS 111 7.212 6.411 -28.328 908 HZ1 LYS 111 HZ1 LYS 111 9.317 5.307 -27.942 909 HZ2 LYS 111 HZ2 LYS 111 8.150 4.713 -26.873 910 HZ3 LYS 111 HZ3 LYS 111 9.321 5.803 -26.325 Start of MODEL 9 1 H1 MET -3 H1 MET -3 -33.334 20.007 17.039 2 H2 MET -3 H2 MET -3 -33.528 18.359 17.366 3 H3 MET -3 H3 MET -3 -34.060 18.995 15.893 4 HA MET -3 HA MET -3 -31.245 18.865 16.802 5 HB2 MET -3 HB2 MET -3 -32.876 17.167 14.931 6 HB3 MET -3 HB3 MET -3 -31.132 17.292 14.745 7 HG2 MET -3 HG2 MET -3 -32.537 16.377 17.245 8 HG3 MET -3 HG3 MET -3 -31.839 15.312 16.026 9 HE1 MET -3 HE1 MET -3 -30.317 14.048 17.750 10 HE2 MET -3 HE2 MET -3 -31.057 14.997 19.039 11 HE3 MET -3 HE3 MET -3 -29.302 14.860 18.941 12 H HIS -2 H HIS -2 -29.751 19.836 15.521 13 HA HIS -2 HA HIS -2 -30.705 21.295 13.150 14 HB2 HIS -2 HB2 HIS -2 -29.128 22.321 15.488 15 HB3 HIS -2 HB3 HIS -2 -28.919 23.050 13.900 16 HD1 HIS -2 HD1 HIS -2 -30.615 24.751 13.203 17 HD2 HIS -2 HD2 HIS -2 -31.846 22.549 16.506 18 HE1 HIS -2 HE1 HIS -2 -32.723 25.862 14.004 19 HE2 HIS -2 HE2 HIS -2 -33.452 24.513 16.003 20 H HIS -1 H HIS -1 -29.463 21.153 11.386 21 HA HIS -1 HA HIS -1 -26.958 19.631 11.589 22 HB2 HIS -1 HB2 HIS -1 -29.149 19.712 9.651 23 HB3 HIS -1 HB3 HIS -1 -27.557 19.780 8.903 24 HD1 HIS -1 HD1 HIS -1 -25.959 17.726 9.370 25 HD2 HIS -1 HD2 HIS -1 -29.890 17.244 10.629 26 HE1 HIS -1 HE1 HIS -1 -26.238 15.260 9.775 27 HE2 HIS -1 HE2 HIS -1 -28.624 14.990 10.536 28 H HIS 0 H HIS 0 -28.338 22.617 10.327 29 HA HIS 0 HA HIS 0 -25.816 23.455 9.145 30 HB2 HIS 0 HB2 HIS 0 -28.563 24.684 9.250 31 HB3 HIS 0 HB3 HIS 0 -27.172 25.562 8.626 32 HD1 HIS 0 HD1 HIS 0 -26.495 25.099 6.253 33 HD2 HIS 0 HD2 HIS 0 -29.254 22.345 7.694 34 HE1 HIS 0 HE1 HIS 0 -27.179 23.728 4.259 35 HE2 HIS 0 HE2 HIS 0 -28.850 22.067 5.154 36 H HIS 1 H HIS 1 -27.822 24.247 11.940 37 HA HIS 1 HA HIS 1 -25.999 26.384 12.746 38 HB2 HIS 1 HB2 HIS 1 -28.677 26.267 12.903 39 HB3 HIS 1 HB3 HIS 1 -28.278 25.600 14.482 40 HD1 HIS 1 HD1 HIS 1 -28.135 28.754 12.487 41 HD2 HIS 1 HD2 HIS 1 -27.158 27.421 16.300 42 HE1 HIS 1 HE1 HIS 1 -27.683 30.831 13.830 43 HE2 HIS 1 HE2 HIS 1 -27.094 30.002 16.135 44 H HIS 2 H HIS 2 -24.512 26.198 14.289 45 HA HIS 2 HA HIS 2 -24.355 23.673 15.794 46 HB2 HIS 2 HB2 HIS 2 -22.230 25.609 14.882 47 HB3 HIS 2 HB3 HIS 2 -21.915 24.383 16.104 48 HD1 HIS 2 HD1 HIS 2 -21.308 22.105 15.279 49 HD2 HIS 2 HD2 HIS 2 -22.962 24.475 12.294 50 HE1 HIS 2 HE1 HIS 2 -21.043 20.789 13.153 51 HE2 HIS 2 HE2 HIS 2 -22.051 22.242 11.358 52 H HIS 3 H HIS 3 -23.846 23.697 18.003 53 HA HIS 3 HA HIS 3 -24.206 26.291 19.355 54 HB2 HIS 3 HB2 HIS 3 -25.389 23.607 20.052 55 HB3 HIS 3 HB3 HIS 3 -25.299 24.926 21.215 56 HD1 HIS 3 HD1 HIS 3 -27.121 23.798 18.163 57 HD2 HIS 3 HD2 HIS 3 -27.072 27.059 20.739 58 HE1 HIS 3 HE1 HIS 3 -29.205 25.103 17.636 59 HE2 HIS 3 HE2 HIS 3 -29.157 27.072 19.208 60 H SER 4 H SER 4 -22.829 23.022 19.632 61 HA SER 4 HA SER 4 -21.146 23.837 21.870 62 HB2 SER 4 HB2 SER 4 -21.443 21.161 20.488 63 HB3 SER 4 HB3 SER 4 -20.459 21.459 21.921 64 HG SER 4 HG SER 4 -22.538 22.284 22.837 65 H THR 5 H THR 5 -19.159 24.596 21.629 66 HA THR 5 HA THR 5 -17.801 24.460 19.086 67 HB THR 5 HB THR 5 -16.164 25.951 20.375 68 HG1 THR 5 HG1 THR 5 -17.625 27.017 22.131 69 HG21 THR 5 HG21 THR 5 -17.721 26.834 18.721 70 HG22 THR 5 HG22 THR 5 -17.584 27.936 20.091 71 HG23 THR 5 HG23 THR 5 -18.993 26.884 19.941 72 H SER 6 H SER 6 -15.505 23.935 18.973 73 HA SER 6 HA SER 6 -14.871 21.554 20.516 74 HB2 SER 6 HB2 SER 6 -12.940 21.377 18.917 75 HB3 SER 6 HB3 SER 6 -14.523 21.396 18.140 76 HG SER 6 HG SER 6 -13.681 23.906 18.369 77 H VAL 7 H VAL 7 -13.421 21.415 22.108 78 HA VAL 7 HA VAL 7 -11.822 23.805 22.756 79 HB VAL 7 HB VAL 7 -12.552 21.581 24.680 80 HG11 VAL 7 HG11 VAL 7 -12.029 23.272 26.408 81 HG12 VAL 7 HG12 VAL 7 -11.518 24.381 25.136 82 HG13 VAL 7 HG13 VAL 7 -10.638 22.875 25.397 83 HG21 VAL 7 HG21 VAL 7 -14.286 23.051 25.587 84 HG22 VAL 7 HG22 VAL 7 -14.616 22.630 23.907 85 HG23 VAL 7 HG23 VAL 7 -13.967 24.220 24.306 86 H ASP 8 H ASP 8 -11.707 20.235 22.794 87 HA ASP 8 HA ASP 8 -8.830 20.205 23.146 88 HB2 ASP 8 HB2 ASP 8 -10.816 18.472 23.861 89 HB3 ASP 8 HB3 ASP 8 -10.171 17.685 22.423 90 H LEU 9 H LEU 9 -7.343 20.065 21.605 91 HA LEU 9 HA LEU 9 -8.163 19.923 18.814 92 HB2 LEU 9 HB2 LEU 9 -6.219 21.355 20.196 93 HB3 LEU 9 HB3 LEU 9 -5.303 20.155 19.308 94 HG LEU 9 HG LEU 9 -6.791 21.005 17.286 95 HD11 LEU 9 HD11 LEU 9 -6.664 23.435 19.065 96 HD12 LEU 9 HD12 LEU 9 -8.128 22.532 18.681 97 HD13 LEU 9 HD13 LEU 9 -7.253 23.375 17.403 98 HD21 LEU 9 HD21 LEU 9 -4.417 21.074 17.226 99 HD22 LEU 9 HD22 LEU 9 -4.360 22.365 18.424 100 HD23 LEU 9 HD23 LEU 9 -4.997 22.685 16.812 101 H GLY 10 H GLY 10 -6.808 18.620 17.275 102 HA2 GLY 10 HA2 GLY 10 -5.978 16.057 18.479 103 HA3 GLY 10 HA3 GLY 10 -6.985 16.117 17.040 104 H THR 11 H THR 11 -3.883 17.297 18.281 105 HA THR 11 HA THR 11 -2.616 16.520 15.757 106 HB THR 11 HB THR 11 -3.055 18.912 15.518 107 HG1 THR 11 HG1 THR 11 -1.015 19.428 14.866 108 HG21 THR 11 HG21 THR 11 -1.270 19.401 17.905 109 HG22 THR 11 HG22 THR 11 -3.028 19.475 17.968 110 HG23 THR 11 HG23 THR 11 -2.135 20.602 16.946 111 H GLU 12 H GLU 12 -2.699 15.744 18.769 112 HA GLU 12 HA GLU 12 0.207 15.549 19.151 113 HB2 GLU 12 HB2 GLU 12 -0.736 17.060 20.794 114 HB3 GLU 12 HB3 GLU 12 -1.967 15.883 21.219 115 HG2 GLU 12 HG2 GLU 12 -0.338 14.448 22.216 116 HG3 GLU 12 HG3 GLU 12 0.983 15.476 21.656 117 H ASN 13 H ASN 13 -2.856 14.018 19.818 118 HA ASN 13 HA ASN 13 -1.796 11.503 20.626 119 HB2 ASN 13 HB2 ASN 13 -4.049 12.663 21.212 120 HB3 ASN 13 HB3 ASN 13 -4.628 11.921 19.737 121 HD21 ASN 13 HD21 ASN 13 -5.285 11.668 22.526 122 HD22 ASN 13 HD22 ASN 13 -5.153 10.005 22.870 123 H LEU 14 H LEU 14 -1.562 12.699 17.641 124 HA LEU 14 HA LEU 14 -2.620 10.514 16.080 125 HB2 LEU 14 HB2 LEU 14 -1.420 11.646 14.169 126 HB3 LEU 14 HB3 LEU 14 -2.667 12.578 14.963 127 HG LEU 14 HG LEU 14 -0.649 13.624 16.290 128 HD11 LEU 14 HD11 LEU 14 1.390 13.773 14.948 129 HD12 LEU 14 HD12 LEU 14 0.708 12.638 13.783 130 HD13 LEU 14 HD13 LEU 14 1.058 12.108 15.428 131 HD21 LEU 14 HD21 LEU 14 -2.205 14.699 14.597 132 HD22 LEU 14 HD22 LEU 14 -0.959 14.372 13.396 133 HD23 LEU 14 HD23 LEU 14 -0.608 15.422 14.767 134 H TYR 15 H TYR 15 -1.189 9.325 14.498 135 HA TYR 15 HA TYR 15 0.866 7.941 15.967 136 HB2 TYR 15 HB2 TYR 15 -0.347 7.575 13.228 137 HB3 TYR 15 HB3 TYR 15 1.025 6.613 13.771 138 HD1 TYR 15 HD1 TYR 15 -2.546 7.318 14.291 139 HD2 TYR 15 HD2 TYR 15 0.759 4.900 15.444 140 HE1 TYR 15 HE1 TYR 15 -4.082 5.775 15.434 141 HE2 TYR 15 HE2 TYR 15 -0.768 3.348 16.587 142 HH TYR 15 HH TYR 15 -3.017 3.376 17.582 143 H PHE 16 H PHE 16 2.962 8.400 15.942 144 HA PHE 16 HA PHE 16 4.046 10.166 13.906 145 HB2 PHE 16 HB2 PHE 16 4.103 10.509 16.546 146 HB3 PHE 16 HB3 PHE 16 5.570 9.553 16.377 147 HD1 PHE 16 HD1 PHE 16 7.497 10.431 15.178 148 HD2 PHE 16 HD2 PHE 16 3.956 12.741 15.664 149 HE1 PHE 16 HE1 PHE 16 8.730 12.455 14.517 150 HE2 PHE 16 HE2 PHE 16 5.183 14.769 15.003 151 HZ PHE 16 HZ PHE 16 7.573 14.627 14.427 152 H GLN 17 H GLN 17 4.146 6.914 14.937 153 HA GLN 17 HA GLN 17 6.845 6.339 14.061 154 HB2 GLN 17 HB2 GLN 17 4.573 4.626 15.047 155 HB3 GLN 17 HB3 GLN 17 6.062 3.926 14.429 156 HG2 GLN 17 HG2 GLN 17 7.339 5.076 16.147 157 HG3 GLN 17 HG3 GLN 17 5.865 5.832 16.751 158 HE21 GLN 17 HE21 GLN 17 7.687 2.883 16.505 159 HE22 GLN 17 HE22 GLN 17 6.795 1.994 17.688 160 H SER 18 H SER 18 7.458 5.065 12.303 161 HA SER 18 HA SER 18 5.679 5.228 9.993 162 HB2 SER 18 HB2 SER 18 8.624 4.544 10.188 163 HB3 SER 18 HB3 SER 18 7.719 4.713 8.683 164 HG SER 18 HG SER 18 8.975 6.604 9.738 165 H ASN 19 H ASN 19 5.591 3.409 8.449 166 HA ASN 19 HA ASN 19 5.933 0.756 9.646 167 HB2 ASN 19 HB2 ASN 19 3.344 1.914 8.639 168 HB3 ASN 19 HB3 ASN 19 3.627 0.188 8.555 169 HD21 ASN 19 HD21 ASN 19 2.137 -0.399 9.870 170 HD22 ASN 19 HD22 ASN 19 2.156 -0.067 11.542 171 H ALA 20 H ALA 20 7.736 0.711 8.221 172 HA ALA 20 HA ALA 20 7.172 0.572 5.349 173 HB1 ALA 20 HB1 ALA 20 9.860 0.553 6.704 174 HB2 ALA 20 HB2 ALA 20 9.011 2.023 6.225 175 HB3 ALA 20 HB3 ALA 20 9.507 0.852 5.001 176 H GLY 21 H GLY 21 7.367 -1.252 4.188 177 HA2 GLY 21 HA2 GLY 21 8.741 -3.456 4.200 178 HA3 GLY 21 HA3 GLY 21 7.826 -3.751 5.670 179 H LYS 22 H LYS 22 5.793 -2.026 3.783 180 HA LYS 22 HA LYS 22 4.229 -4.324 3.046 181 HB2 LYS 22 HB2 LYS 22 3.860 -1.389 3.111 182 HB3 LYS 22 HB3 LYS 22 2.873 -2.280 1.961 183 HG2 LYS 22 HG2 LYS 22 1.642 -3.270 3.578 184 HG3 LYS 22 HG3 LYS 22 2.989 -3.325 4.714 185 HD2 LYS 22 HD2 LYS 22 2.777 -0.959 5.149 186 HD3 LYS 22 HD3 LYS 22 1.499 -0.825 3.940 187 HE2 LYS 22 HE2 LYS 22 0.069 -2.284 5.269 188 HE3 LYS 22 HE3 LYS 22 1.349 -2.470 6.463 189 HZ1 LYS 22 HZ1 LYS 22 1.234 -0.072 6.871 190 HZ2 LYS 22 HZ2 LYS 22 -0.232 -0.843 7.207 191 HZ3 LYS 22 HZ3 LYS 22 -0.056 0.053 5.783 192 H MET 23 H MET 23 3.577 -4.952 1.048 193 HA MET 23 HA MET 23 5.061 -3.924 -1.236 194 HB2 MET 23 HB2 MET 23 4.472 -6.671 -0.310 195 HB3 MET 23 HB3 MET 23 4.313 -6.387 -2.029 196 HG2 MET 23 HG2 MET 23 6.664 -5.327 -1.841 197 HG3 MET 23 HG3 MET 23 6.745 -6.189 -0.308 198 HE1 MET 23 HE1 MET 23 6.339 -6.367 -4.106 199 HE2 MET 23 HE2 MET 23 7.260 -7.819 -4.498 200 HE3 MET 23 HE3 MET 23 8.069 -6.438 -3.756 201 H PHE 24 H PHE 24 3.976 -3.251 -2.827 202 HA PHE 24 HA PHE 24 1.103 -2.976 -2.804 203 HB2 PHE 24 HB2 PHE 24 2.698 -1.037 -3.064 204 HB3 PHE 24 HB3 PHE 24 3.225 -1.716 -4.586 205 HD1 PHE 24 HD1 PHE 24 2.680 0.794 -5.047 206 HD2 PHE 24 HD2 PHE 24 -0.286 -2.191 -4.392 207 HE1 PHE 24 HE1 PHE 24 1.026 2.185 -6.211 208 HE2 PHE 24 HE2 PHE 24 -1.929 -0.795 -5.557 209 HZ PHE 24 HZ PHE 24 -1.286 1.390 -6.468 210 H ILE 25 H ILE 25 0.186 -4.745 -3.702 211 HA ILE 25 HA ILE 25 1.302 -6.091 -6.005 212 HB ILE 25 HB ILE 25 -1.243 -6.896 -4.807 213 HG12 ILE 25 HG12 ILE 25 0.133 -6.349 -2.830 214 HG13 ILE 25 HG13 ILE 25 -0.248 -8.048 -2.926 215 HG21 ILE 25 HG21 ILE 25 1.101 -8.386 -5.934 216 HG22 ILE 25 HG22 ILE 25 -0.516 -8.217 -6.618 217 HG23 ILE 25 HG23 ILE 25 -0.268 -9.186 -5.168 218 HD11 ILE 25 HD11 ILE 25 2.003 -8.561 -3.635 219 HD12 ILE 25 HD12 ILE 25 2.053 -7.590 -2.163 220 HD13 ILE 25 HD13 ILE 25 2.393 -6.843 -3.724 221 H GLY 26 H GLY 26 0.828 -5.228 -7.882 222 HA2 GLY 26 HA2 GLY 26 -1.687 -3.910 -8.312 223 HA3 GLY 26 HA3 GLY 26 -0.294 -3.702 -9.304 224 H GLY 27 H GLY 27 -2.945 -4.075 -10.079 225 HA2 GLY 27 HA2 GLY 27 -4.001 -5.024 -11.880 226 HA3 GLY 27 HA3 GLY 27 -2.576 -6.004 -12.141 227 H LEU 28 H LEU 28 -4.351 -6.166 -9.088 228 HA LEU 28 HA LEU 28 -4.601 -8.933 -9.125 229 HB2 LEU 28 HB2 LEU 28 -6.327 -6.962 -7.607 230 HB3 LEU 28 HB3 LEU 28 -6.130 -8.660 -7.231 231 HG LEU 28 HG LEU 28 -3.795 -6.756 -7.171 232 HD11 LEU 28 HD11 LEU 28 -5.395 -5.785 -5.694 233 HD12 LEU 28 HD12 LEU 28 -4.216 -6.648 -4.706 234 HD13 LEU 28 HD13 LEU 28 -5.803 -7.356 -5.008 235 HD21 LEU 28 HD21 LEU 28 -3.461 -9.265 -7.159 236 HD22 LEU 28 HD22 LEU 28 -4.276 -9.284 -5.599 237 HD23 LEU 28 HD23 LEU 28 -2.767 -8.395 -5.794 238 H SER 29 H SER 29 -6.906 -10.030 -8.866 239 HA SER 29 HA SER 29 -8.424 -9.349 -11.243 240 HB2 SER 29 HB2 SER 29 -7.339 -11.659 -10.893 241 HB3 SER 29 HB3 SER 29 -8.592 -11.929 -9.684 242 HG SER 29 HG SER 29 -9.437 -10.982 -12.151 243 H TRP 30 H TRP 30 -10.731 -10.131 -10.983 244 HA TRP 30 HA TRP 30 -12.076 -8.496 -9.121 245 HB2 TRP 30 HB2 TRP 30 -14.078 -9.292 -10.281 246 HB3 TRP 30 HB3 TRP 30 -12.855 -8.815 -11.432 247 HD1 TRP 30 HD1 TRP 30 -11.184 -11.400 -11.765 248 HE1 TRP 30 HE1 TRP 30 -12.171 -13.543 -12.740 249 HE3 TRP 30 HE3 TRP 30 -16.162 -10.472 -10.966 250 HZ2 TRP 30 HZ2 TRP 30 -14.673 -14.693 -13.158 251 HZ3 TRP 30 HZ3 TRP 30 -17.791 -12.166 -11.702 252 HH2 TRP 30 HH2 TRP 30 -17.062 -14.235 -12.778 253 H GLN 31 H GLN 31 -10.988 -11.696 -9.132 254 HA GLN 31 HA GLN 31 -12.876 -12.668 -7.143 255 HB2 GLN 31 HB2 GLN 31 -10.749 -13.976 -8.807 256 HB3 GLN 31 HB3 GLN 31 -11.636 -14.837 -7.554 257 HG2 GLN 31 HG2 GLN 31 -13.742 -14.298 -8.765 258 HG3 GLN 31 HG3 GLN 31 -12.763 -13.600 -10.056 259 HE21 GLN 31 HE21 GLN 31 -13.608 -16.522 -8.367 260 HE22 GLN 31 HE22 GLN 31 -13.077 -17.623 -9.585 261 H THR 32 H THR 32 -9.616 -11.616 -7.490 262 HA THR 32 HA THR 32 -8.452 -12.838 -5.240 263 HB THR 32 HB THR 32 -7.521 -10.234 -6.237 264 HG1 THR 32 HG1 THR 32 -7.135 -12.674 -7.627 265 HG21 THR 32 HG21 THR 32 -5.300 -11.335 -6.026 266 HG22 THR 32 HG22 THR 32 -6.122 -12.776 -5.430 267 HG23 THR 32 HG23 THR 32 -6.190 -11.276 -4.505 268 H SER 33 H SER 33 -9.002 -12.590 -3.228 269 HA SER 33 HA SER 33 -10.010 -10.035 -2.176 270 HB2 SER 33 HB2 SER 33 -10.224 -12.883 -1.179 271 HB3 SER 33 HB3 SER 33 -10.753 -11.493 -0.239 272 HG SER 33 HG SER 33 -11.718 -11.538 -2.808 273 HA PRO 34 HA PRO 34 -6.356 -9.283 0.288 274 HB2 PRO 34 HB2 PRO 34 -7.368 -8.924 2.849 275 HB3 PRO 34 HB3 PRO 34 -7.272 -7.661 1.613 276 HG2 PRO 34 HG2 PRO 34 -9.599 -9.363 2.383 277 HG3 PRO 34 HG3 PRO 34 -9.555 -7.639 1.960 278 HD2 PRO 34 HD2 PRO 34 -10.418 -9.438 0.202 279 HD3 PRO 34 HD3 PRO 34 -9.426 -8.064 -0.316 280 H ASP 35 H ASP 35 -8.608 -11.661 1.327 281 HA ASP 35 HA ASP 35 -6.825 -13.067 3.088 282 HB2 ASP 35 HB2 ASP 35 -9.571 -13.290 2.243 283 HB3 ASP 35 HB3 ASP 35 -8.806 -14.825 2.536 284 H SER 36 H SER 36 -7.898 -13.193 -0.177 285 HA SER 36 HA SER 36 -6.771 -15.710 -0.914 286 HB2 SER 36 HB2 SER 36 -8.633 -14.557 -2.161 287 HB3 SER 36 HB3 SER 36 -7.451 -13.378 -2.729 288 HG SER 36 HG SER 36 -6.281 -15.286 -3.560 289 H LEU 37 H LEU 37 -5.707 -12.341 -0.919 290 HA LEU 37 HA LEU 37 -3.287 -12.703 -2.306 291 HB2 LEU 37 HB2 LEU 37 -4.916 -10.696 -1.056 292 HB3 LEU 37 HB3 LEU 37 -3.269 -10.484 -0.582 293 HG LEU 37 HG LEU 37 -4.253 -10.577 -3.418 294 HD11 LEU 37 HD11 LEU 37 -4.727 -8.418 -3.293 295 HD12 LEU 37 HD12 LEU 37 -3.152 -8.056 -2.589 296 HD13 LEU 37 HD13 LEU 37 -4.497 -8.520 -1.548 297 HD21 LEU 37 HD21 LEU 37 -1.931 -11.250 -3.286 298 HD22 LEU 37 HD22 LEU 37 -1.549 -9.838 -2.308 299 HD23 LEU 37 HD23 LEU 37 -2.048 -9.639 -3.984 300 H ARG 38 H ARG 38 -4.306 -12.692 1.049 301 HA ARG 38 HA ARG 38 -1.764 -12.855 2.247 302 HB2 ARG 38 HB2 ARG 38 -4.193 -12.256 3.205 303 HB3 ARG 38 HB3 ARG 38 -4.161 -13.962 3.626 304 HG2 ARG 38 HG2 ARG 38 -1.938 -13.494 4.759 305 HG3 ARG 38 HG3 ARG 38 -2.317 -11.783 4.559 306 HD2 ARG 38 HD2 ARG 38 -4.134 -13.749 5.946 307 HD3 ARG 38 HD3 ARG 38 -2.937 -12.769 6.787 308 HE ARG 38 HE ARG 38 -4.820 -11.296 5.150 309 HH11 ARG 38 HH11 ARG 38 -4.101 -12.492 8.374 310 HH12 ARG 38 HH12 ARG 38 -5.151 -11.357 9.154 311 HH21 ARG 38 HH21 ARG 38 -6.333 -9.849 7.920 312 HH22 ARG 38 HH22 ARG 38 -6.193 -9.823 6.194 313 H ASP 39 H ASP 39 -4.293 -15.166 1.341 314 HA ASP 39 HA ASP 39 -3.010 -17.497 2.239 315 HB2 ASP 39 HB2 ASP 39 -5.310 -16.856 0.501 316 HB3 ASP 39 HB3 ASP 39 -4.583 -18.441 0.263 317 H TYR 40 H TYR 40 -2.910 -15.800 -0.898 318 HA TYR 40 HA TYR 40 -1.504 -17.853 -2.266 319 HB2 TYR 40 HB2 TYR 40 -2.944 -15.791 -3.137 320 HB3 TYR 40 HB3 TYR 40 -1.356 -15.033 -3.212 321 HD1 TYR 40 HD1 TYR 40 -3.319 -17.942 -4.408 322 HD2 TYR 40 HD2 TYR 40 0.132 -15.523 -4.979 323 HE1 TYR 40 HE1 TYR 40 -2.899 -19.063 -6.558 324 HE2 TYR 40 HE2 TYR 40 0.563 -16.635 -7.129 325 HH TYR 40 HH TYR 40 -1.717 -18.600 -8.676 326 H PHE 41 H PHE 41 -0.522 -14.695 -0.943 327 HA PHE 41 HA PHE 41 2.203 -14.991 -1.570 328 HB2 PHE 41 HB2 PHE 41 0.537 -13.037 -0.172 329 HB3 PHE 41 HB3 PHE 41 2.267 -12.946 0.042 330 HD1 PHE 41 HD1 PHE 41 3.694 -12.232 -1.768 331 HD2 PHE 41 HD2 PHE 41 -0.476 -12.813 -2.402 332 HE1 PHE 41 HE1 PHE 41 3.896 -11.152 -3.957 333 HE2 PHE 41 HE2 PHE 41 -0.270 -11.726 -4.614 334 HZ PHE 41 HZ PHE 41 1.911 -10.898 -5.387 335 H SER 42 H SER 42 0.326 -15.959 1.207 336 HA SER 42 HA SER 42 2.368 -16.056 3.167 337 HB2 SER 42 HB2 SER 42 -0.130 -16.300 3.601 338 HB3 SER 42 HB3 SER 42 0.026 -17.957 3.024 339 HG SER 42 HG SER 42 0.781 -18.476 4.904 340 H LYS 43 H LYS 43 1.809 -17.658 0.419 341 HA LYS 43 HA LYS 43 3.006 -20.198 1.004 342 HB2 LYS 43 HB2 LYS 43 1.780 -18.884 -1.368 343 HB3 LYS 43 HB3 LYS 43 2.773 -20.296 -1.603 344 HG2 LYS 43 HG2 LYS 43 0.951 -20.855 0.501 345 HG3 LYS 43 HG3 LYS 43 0.053 -20.170 -0.851 346 HD2 LYS 43 HD2 LYS 43 1.037 -21.829 -2.352 347 HD3 LYS 43 HD3 LYS 43 1.954 -22.508 -1.005 348 HE2 LYS 43 HE2 LYS 43 -0.106 -23.121 0.122 349 HE3 LYS 43 HE3 LYS 43 -1.055 -22.376 -1.164 350 HZ1 LYS 43 HZ1 LYS 43 -0.144 -23.992 -2.716 351 HZ2 LYS 43 HZ2 LYS 43 -0.931 -24.769 -1.438 352 HZ3 LYS 43 HZ3 LYS 43 0.758 -24.709 -1.477 353 H PHE 44 H PHE 44 4.123 -17.121 0.178 354 HA PHE 44 HA PHE 44 6.658 -18.095 -0.959 355 HB2 PHE 44 HB2 PHE 44 5.040 -15.994 -1.711 356 HB3 PHE 44 HB3 PHE 44 6.339 -15.235 -0.809 357 HD1 PHE 44 HD1 PHE 44 8.650 -15.356 -1.587 358 HD2 PHE 44 HD2 PHE 44 5.446 -17.067 -3.806 359 HE1 PHE 44 HE1 PHE 44 10.119 -15.555 -3.552 360 HE2 PHE 44 HE2 PHE 44 6.909 -17.269 -5.771 361 HZ PHE 44 HZ PHE 44 9.245 -16.525 -5.642 362 H GLY 45 H GLY 45 5.215 -16.397 1.697 363 HA2 GLY 45 HA2 GLY 45 7.373 -16.846 3.440 364 HA3 GLY 45 HA3 GLY 45 7.256 -15.154 2.973 365 H GLU 46 H GLU 46 6.781 -14.859 5.260 366 HA GLU 46 HA GLU 46 4.122 -15.584 6.031 367 HB2 GLU 46 HB2 GLU 46 6.066 -16.142 7.559 368 HB3 GLU 46 HB3 GLU 46 6.183 -14.413 7.870 369 HG2 GLU 46 HG2 GLU 46 3.985 -14.347 8.779 370 HG3 GLU 46 HG3 GLU 46 3.660 -15.996 8.271 371 H ILE 47 H ILE 47 2.665 -14.225 6.305 372 HA ILE 47 HA ILE 47 3.135 -11.386 5.821 373 HB ILE 47 HB ILE 47 0.655 -12.936 5.337 374 HG12 ILE 47 HG12 ILE 47 1.890 -11.524 3.153 375 HG13 ILE 47 HG13 ILE 47 2.919 -12.754 3.856 376 HG21 ILE 47 HG21 ILE 47 -0.156 -10.859 4.193 377 HG22 ILE 47 HG22 ILE 47 1.189 -10.014 4.960 378 HG23 ILE 47 HG23 ILE 47 -0.068 -10.754 5.952 379 HD11 ILE 47 HD11 ILE 47 0.475 -13.008 2.221 380 HD12 ILE 47 HD12 ILE 47 0.618 -14.146 3.553 381 HD13 ILE 47 HD13 ILE 47 1.871 -14.086 2.313 382 H ARG 48 H ARG 48 2.521 -9.876 7.143 383 HA ARG 48 HA ARG 48 1.638 -10.540 9.816 384 HB2 ARG 48 HB2 ARG 48 3.422 -8.786 8.866 385 HB3 ARG 48 HB3 ARG 48 2.016 -7.751 8.851 386 HG2 ARG 48 HG2 ARG 48 1.742 -7.889 11.171 387 HG3 ARG 48 HG3 ARG 48 2.849 -9.256 11.304 388 HD2 ARG 48 HD2 ARG 48 4.689 -7.765 10.541 389 HD3 ARG 48 HD3 ARG 48 3.559 -6.413 10.585 390 HE ARG 48 HE ARG 48 3.375 -7.403 13.081 391 HH11 ARG 48 HH11 ARG 48 7.126 -6.071 12.528 392 HH12 ARG 48 HH12 ARG 48 6.168 -6.502 11.150 393 HH21 ARG 48 HH21 ARG 48 6.267 -6.259 14.629 394 HH22 ARG 48 HH22 ARG 48 4.652 -6.835 14.871 395 H GLU 49 H GLU 49 0.569 -8.736 6.994 396 HA GLU 49 HA GLU 49 -2.201 -8.998 7.567 397 HB2 GLU 49 HB2 GLU 49 -1.274 -6.973 8.998 398 HB3 GLU 49 HB3 GLU 49 -1.335 -6.126 7.462 399 HG2 GLU 49 HG2 GLU 49 -3.718 -6.593 7.285 400 HG3 GLU 49 HG3 GLU 49 -3.664 -7.485 8.805 401 H CYS 50 H CYS 50 -3.463 -8.126 5.819 402 HA CYS 50 HA CYS 50 -2.076 -7.354 3.444 403 HB2 CYS 50 HB2 CYS 50 -2.373 -9.734 3.166 404 HB3 CYS 50 HB3 CYS 50 -4.077 -9.606 3.584 405 HG CYS 50 HG CYS 50 -4.150 -7.696 1.182 406 H MET 51 H MET 51 -3.339 -6.255 1.963 407 HA MET 51 HA MET 51 -5.930 -5.294 2.768 408 HB2 MET 51 HB2 MET 51 -4.392 -3.791 3.880 409 HB3 MET 51 HB3 MET 51 -3.613 -3.483 2.354 410 HG2 MET 51 HG2 MET 51 -5.620 -2.400 1.513 411 HG3 MET 51 HG3 MET 51 -6.434 -2.730 3.044 412 HE1 MET 51 HE1 MET 51 -6.953 0.017 2.813 413 HE2 MET 51 HE2 MET 51 -5.875 0.136 1.423 414 HE3 MET 51 HE3 MET 51 -5.656 1.212 2.803 415 H VAL 52 H VAL 52 -7.203 -4.902 1.187 416 HA VAL 52 HA VAL 52 -6.242 -4.433 -1.528 417 HB VAL 52 HB VAL 52 -8.610 -6.078 -0.800 418 HG11 VAL 52 HG11 VAL 52 -7.440 -5.526 -3.511 419 HG12 VAL 52 HG12 VAL 52 -8.965 -4.885 -2.900 420 HG13 VAL 52 HG13 VAL 52 -8.786 -6.619 -3.181 421 HG21 VAL 52 HG21 VAL 52 -6.119 -7.024 -2.137 422 HG22 VAL 52 HG22 VAL 52 -7.431 -8.007 -1.484 423 HG23 VAL 52 HG23 VAL 52 -6.365 -7.111 -0.396 424 H MET 53 H MET 53 -6.960 -2.658 -2.330 425 HA MET 53 HA MET 53 -8.555 -0.829 -0.863 426 HB2 MET 53 HB2 MET 53 -6.942 -0.768 -3.294 427 HB3 MET 53 HB3 MET 53 -8.353 0.275 -3.380 428 HG2 MET 53 HG2 MET 53 -6.179 0.341 -1.299 429 HG3 MET 53 HG3 MET 53 -6.472 1.524 -2.569 430 HE1 MET 53 HE1 MET 53 -7.396 3.606 0.569 431 HE2 MET 53 HE2 MET 53 -6.438 3.521 -0.910 432 HE3 MET 53 HE3 MET 53 -6.093 2.426 0.429 433 H ARG 54 H ARG 54 -10.625 -0.750 -0.705 434 HA ARG 54 HA ARG 54 -12.331 -1.234 -3.036 435 HB2 ARG 54 HB2 ARG 54 -12.415 -2.629 -0.402 436 HB3 ARG 54 HB3 ARG 54 -13.944 -2.261 -1.191 437 HG2 ARG 54 HG2 ARG 54 -13.131 -3.464 -3.202 438 HG3 ARG 54 HG3 ARG 54 -11.687 -3.917 -2.296 439 HD2 ARG 54 HD2 ARG 54 -13.041 -5.100 -0.672 440 HD3 ARG 54 HD3 ARG 54 -14.515 -4.583 -1.490 441 HE ARG 54 HE ARG 54 -12.523 -6.409 -2.676 442 HH11 ARG 54 HH11 ARG 54 -16.488 -6.652 -3.273 443 HH12 ARG 54 HH12 ARG 54 -15.861 -5.386 -2.272 444 HH21 ARG 54 HH21 ARG 54 -13.371 -8.058 -3.980 445 HH22 ARG 54 HH22 ARG 54 -15.080 -8.162 -4.238 446 H ASP 55 H ASP 55 -14.341 -0.106 -2.978 447 HA ASP 55 HA ASP 55 -14.387 2.149 -1.196 448 HB2 ASP 55 HB2 ASP 55 -15.136 1.717 -3.976 449 HB3 ASP 55 HB3 ASP 55 -16.127 2.829 -3.076 450 HA PRO 56 HA PRO 56 -17.985 -0.010 0.615 451 HB2 PRO 56 HB2 PRO 56 -18.253 2.487 2.178 452 HB3 PRO 56 HB3 PRO 56 -18.106 0.818 2.744 453 HG2 PRO 56 HG2 PRO 56 -16.082 2.525 3.011 454 HG3 PRO 56 HG3 PRO 56 -15.803 0.817 2.616 455 HD2 PRO 56 HD2 PRO 56 -15.725 3.203 0.812 456 HD3 PRO 56 HD3 PRO 56 -14.660 1.781 0.857 457 H THR 57 H THR 57 -17.886 2.876 -1.189 458 HA THR 57 HA THR 57 -20.660 3.556 -0.961 459 HB THR 57 HB THR 57 -20.123 5.173 -2.848 460 HG1 THR 57 HG1 THR 57 -17.806 5.536 -3.056 461 HG21 THR 57 HG21 THR 57 -20.232 5.925 -0.551 462 HG22 THR 57 HG22 THR 57 -18.867 6.699 -1.356 463 HG23 THR 57 HG23 THR 57 -18.592 5.351 -0.253 464 H THR 58 H THR 58 -18.572 2.139 -3.448 465 HA THR 58 HA THR 58 -20.977 1.294 -4.930 466 HB THR 58 HB THR 58 -19.585 1.265 -6.976 467 HG1 THR 58 HG1 THR 58 -17.609 1.897 -5.121 468 HG21 THR 58 HG21 THR 58 -20.906 3.238 -6.556 469 HG22 THR 58 HG22 THR 58 -19.340 3.737 -7.198 470 HG23 THR 58 HG23 THR 58 -19.671 3.877 -5.469 471 H LYS 59 H LYS 59 -18.361 0.190 -3.137 472 HA LYS 59 HA LYS 59 -17.452 -1.823 -2.630 473 HB2 LYS 59 HB2 LYS 59 -19.663 -3.224 -4.095 474 HB3 LYS 59 HB3 LYS 59 -18.828 -3.716 -2.633 475 HG2 LYS 59 HG2 LYS 59 -20.446 -1.231 -2.593 476 HG3 LYS 59 HG3 LYS 59 -21.285 -2.785 -2.561 477 HD2 LYS 59 HD2 LYS 59 -20.039 -3.428 -0.560 478 HD3 LYS 59 HD3 LYS 59 -19.146 -1.905 -0.614 479 HE2 LYS 59 HE2 LYS 59 -21.260 -0.680 -0.325 480 HE3 LYS 59 HE3 LYS 59 -22.124 -2.214 -0.227 481 HZ1 LYS 59 HZ1 LYS 59 -20.873 -2.763 1.757 482 HZ2 LYS 59 HZ2 LYS 59 -21.670 -1.285 1.963 483 HZ3 LYS 59 HZ3 LYS 59 -20.008 -1.312 1.654 484 H ARG 60 H ARG 60 -17.246 -0.587 -5.467 485 HA ARG 60 HA ARG 60 -16.316 -2.871 -7.028 486 HB2 ARG 60 HB2 ARG 60 -16.597 0.065 -7.649 487 HB3 ARG 60 HB3 ARG 60 -15.830 -1.064 -8.757 488 HG2 ARG 60 HG2 ARG 60 -17.970 -2.405 -8.670 489 HG3 ARG 60 HG3 ARG 60 -18.686 -1.025 -7.834 490 HD2 ARG 60 HD2 ARG 60 -18.228 0.410 -9.717 491 HD3 ARG 60 HD3 ARG 60 -17.350 -0.882 -10.533 492 HE ARG 60 HE ARG 60 -20.194 -1.238 -9.907 493 HH11 ARG 60 HH11 ARG 60 -18.693 -1.395 -13.630 494 HH12 ARG 60 HH12 ARG 60 -17.670 -0.900 -12.324 495 HH21 ARG 60 HH21 ARG 60 -21.517 -1.885 -11.631 496 HH22 ARG 60 HH22 ARG 60 -20.869 -1.953 -13.236 497 H SER 61 H SER 61 -14.267 -3.445 -7.354 498 HA SER 61 HA SER 61 -12.141 -1.945 -6.002 499 HB2 SER 61 HB2 SER 61 -12.098 -4.730 -7.198 500 HB3 SER 61 HB3 SER 61 -10.812 -3.994 -6.243 501 HG SER 61 HG SER 61 -12.459 -5.449 -5.179 502 H ARG 62 H ARG 62 -10.082 -1.586 -7.082 503 HA ARG 62 HA ARG 62 -10.448 -1.019 -9.931 504 HB2 ARG 62 HB2 ARG 62 -9.540 0.602 -7.959 505 HB3 ARG 62 HB3 ARG 62 -8.022 -0.020 -8.587 506 HG2 ARG 62 HG2 ARG 62 -8.649 0.730 -10.835 507 HG3 ARG 62 HG3 ARG 62 -10.158 1.374 -10.187 508 HD2 ARG 62 HD2 ARG 62 -8.762 2.803 -8.655 509 HD3 ARG 62 HD3 ARG 62 -7.351 2.280 -9.576 510 HE ARG 62 HE ARG 62 -9.516 3.453 -11.113 511 HH11 ARG 62 HH11 ARG 62 -6.084 5.435 -10.457 512 HH12 ARG 62 HH12 ARG 62 -6.422 4.002 -9.543 513 HH21 ARG 62 HH21 ARG 62 -9.050 5.328 -12.299 514 HH22 ARG 62 HH22 ARG 62 -7.571 6.183 -12.015 515 H GLY 63 H GLY 63 -8.951 -3.292 -7.959 516 HA2 GLY 63 HA2 GLY 63 -7.881 -5.228 -8.758 517 HA3 GLY 63 HA3 GLY 63 -7.486 -4.374 -10.237 518 H PHE 64 H PHE 64 -6.814 -3.440 -6.862 519 HA PHE 64 HA PHE 64 -4.032 -4.135 -7.071 520 HB2 PHE 64 HB2 PHE 64 -3.056 -1.988 -6.923 521 HB3 PHE 64 HB3 PHE 64 -4.174 -1.940 -8.268 522 HD1 PHE 64 HD1 PHE 64 -5.820 -0.306 -8.370 523 HD2 PHE 64 HD2 PHE 64 -3.810 -1.043 -4.727 524 HE1 PHE 64 HE1 PHE 64 -6.859 1.718 -7.406 525 HE2 PHE 64 HE2 PHE 64 -4.810 0.983 -3.738 526 HZ PHE 64 HZ PHE 64 -6.352 2.365 -5.081 527 H GLY 65 H GLY 65 -2.874 -4.043 -5.058 528 HA2 GLY 65 HA2 GLY 65 -4.214 -3.175 -2.717 529 HA3 GLY 65 HA3 GLY 65 -4.115 -4.919 -2.863 530 H PHE 66 H PHE 66 -2.900 -4.468 -0.854 531 HA PHE 66 HA PHE 66 -0.088 -4.332 -1.303 532 HB2 PHE 66 HB2 PHE 66 -1.695 -3.013 0.816 533 HB3 PHE 66 HB3 PHE 66 0.024 -3.170 0.882 534 HD1 PHE 66 HD1 PHE 66 -2.774 -1.638 -0.891 535 HD2 PHE 66 HD2 PHE 66 1.445 -1.680 -0.349 536 HE1 PHE 66 HE1 PHE 66 -2.594 0.482 -2.144 537 HE2 PHE 66 HE2 PHE 66 1.636 0.434 -1.597 538 HZ PHE 66 HZ PHE 66 -0.386 1.516 -2.500 539 H VAL 67 H VAL 67 1.092 -5.427 0.345 540 HA VAL 67 HA VAL 67 -0.312 -7.157 2.205 541 HB VAL 67 HB VAL 67 1.605 -8.269 0.116 542 HG11 VAL 67 HG11 VAL 67 0.826 -9.316 2.768 543 HG12 VAL 67 HG12 VAL 67 2.284 -9.609 1.816 544 HG13 VAL 67 HG13 VAL 67 0.793 -10.472 1.436 545 HG21 VAL 67 HG21 VAL 67 -1.271 -8.965 0.703 546 HG22 VAL 67 HG22 VAL 67 -0.236 -9.792 -0.464 547 HG23 VAL 67 HG23 VAL 67 -0.674 -8.099 -0.711 548 H THR 68 H THR 68 0.679 -7.386 3.971 549 HA THR 68 HA THR 68 3.238 -6.056 4.276 550 HB THR 68 HB THR 68 1.425 -6.680 6.506 551 HG1 THR 68 HG1 THR 68 0.465 -5.476 4.544 552 HG21 THR 68 HG21 THR 68 2.941 -5.505 7.672 553 HG22 THR 68 HG22 THR 68 2.738 -4.131 6.593 554 HG23 THR 68 HG23 THR 68 3.912 -5.397 6.198 555 H PHE 69 H PHE 69 4.757 -7.438 4.130 556 HA PHE 69 HA PHE 69 4.607 -10.097 5.108 557 HB2 PHE 69 HB2 PHE 69 6.622 -8.464 3.651 558 HB3 PHE 69 HB3 PHE 69 7.105 -9.978 4.391 559 HD1 PHE 69 HD1 PHE 69 6.038 -12.101 3.686 560 HD2 PHE 69 HD2 PHE 69 5.304 -8.415 1.689 561 HE1 PHE 69 HE1 PHE 69 5.110 -13.327 1.770 562 HE2 PHE 69 HE2 PHE 69 4.381 -9.640 -0.233 563 HZ PHE 69 HZ PHE 69 4.291 -12.097 -0.181 564 H ALA 70 H ALA 70 5.134 -10.785 7.096 565 HA ALA 70 HA ALA 70 6.157 -9.020 9.035 566 HB1 ALA 70 HB1 ALA 70 5.680 -11.955 9.364 567 HB2 ALA 70 HB2 ALA 70 4.429 -10.724 9.522 568 HB3 ALA 70 HB3 ALA 70 5.784 -10.753 10.649 569 H ASP 71 H ASP 71 7.782 -10.471 6.815 570 HA ASP 71 HA ASP 71 10.220 -10.656 8.355 571 HB2 ASP 71 HB2 ASP 71 9.170 -12.840 7.482 572 HB3 ASP 71 HB3 ASP 71 9.755 -12.325 5.934 573 HA PRO 72 HA PRO 72 11.575 -7.792 5.141 574 HB2 PRO 72 HB2 PRO 72 14.279 -8.223 6.010 575 HB3 PRO 72 HB3 PRO 72 13.308 -6.779 6.110 576 HG2 PRO 72 HG2 PRO 72 14.038 -8.156 8.306 577 HG3 PRO 72 HG3 PRO 72 12.513 -7.252 8.203 578 HD2 PRO 72 HD2 PRO 72 12.988 -10.188 7.898 579 HD3 PRO 72 HD3 PRO 72 11.664 -9.330 8.716 580 H ALA 73 H ALA 73 12.618 -10.964 5.667 581 HA ALA 73 HA ALA 73 14.376 -11.148 3.419 582 HB1 ALA 73 HB1 ALA 73 14.724 -12.536 5.413 583 HB2 ALA 73 HB2 ALA 73 14.582 -13.497 3.941 584 HB3 ALA 73 HB3 ALA 73 13.219 -13.382 5.055 585 H SER 74 H SER 74 11.052 -11.698 4.028 586 HA SER 74 HA SER 74 10.495 -13.281 1.721 587 HB2 SER 74 HB2 SER 74 9.071 -13.096 3.851 588 HB3 SER 74 HB3 SER 74 8.443 -11.608 3.140 589 HG SER 74 HG SER 74 7.708 -12.808 1.381 590 H VAL 75 H VAL 75 10.620 -9.915 2.389 591 HA VAL 75 HA VAL 75 9.362 -8.962 0.043 592 HB VAL 75 HB VAL 75 11.426 -7.452 1.640 593 HG11 VAL 75 HG11 VAL 75 9.012 -6.510 0.088 594 HG12 VAL 75 HG12 VAL 75 10.700 -6.342 -0.399 595 HG13 VAL 75 HG13 VAL 75 10.098 -5.474 1.015 596 HG21 VAL 75 HG21 VAL 75 9.623 -6.625 3.092 597 HG22 VAL 75 HG22 VAL 75 9.832 -8.370 3.238 598 HG23 VAL 75 HG23 VAL 75 8.489 -7.720 2.299 599 H ASP 76 H ASP 76 12.563 -9.877 0.901 600 HA ASP 76 HA ASP 76 13.913 -8.875 -1.366 601 HB2 ASP 76 HB2 ASP 76 14.738 -9.695 1.004 602 HB3 ASP 76 HB3 ASP 76 14.906 -11.219 0.164 603 H LYS 77 H LYS 77 12.539 -11.890 -0.427 604 HA LYS 77 HA LYS 77 13.283 -13.455 -2.628 605 HB2 LYS 77 HB2 LYS 77 11.092 -13.829 -0.606 606 HB3 LYS 77 HB3 LYS 77 11.520 -15.037 -1.807 607 HG2 LYS 77 HG2 LYS 77 13.876 -14.914 -0.813 608 HG3 LYS 77 HG3 LYS 77 13.114 -14.079 0.540 609 HD2 LYS 77 HD2 LYS 77 11.582 -15.989 0.827 610 HD3 LYS 77 HD3 LYS 77 12.410 -16.828 -0.488 611 HE2 LYS 77 HE2 LYS 77 14.508 -16.718 0.811 612 HE3 LYS 77 HE3 LYS 77 13.620 -15.966 2.137 613 HZ1 LYS 77 HZ1 LYS 77 12.240 -17.960 2.271 614 HZ2 LYS 77 HZ2 LYS 77 13.873 -18.324 2.513 615 HZ3 LYS 77 HZ3 LYS 77 13.140 -18.681 1.032 616 H VAL 78 H VAL 78 10.396 -11.609 -1.937 617 HA VAL 78 HA VAL 78 9.034 -12.514 -4.301 618 HB VAL 78 HB VAL 78 8.217 -10.429 -2.257 619 HG11 VAL 78 HG11 VAL 78 6.061 -10.335 -3.233 620 HG12 VAL 78 HG12 VAL 78 6.407 -11.684 -4.314 621 HG13 VAL 78 HG13 VAL 78 7.196 -10.128 -4.569 622 HG21 VAL 78 HG21 VAL 78 8.322 -12.714 -1.383 623 HG22 VAL 78 HG22 VAL 78 7.279 -13.268 -2.692 624 HG23 VAL 78 HG23 VAL 78 6.653 -12.148 -1.483 625 H LEU 79 H LEU 79 10.928 -9.690 -3.366 626 HA LEU 79 HA LEU 79 10.149 -7.967 -5.468 627 HB2 LEU 79 HB2 LEU 79 11.616 -7.754 -3.203 628 HB3 LEU 79 HB3 LEU 79 12.883 -7.801 -4.392 629 HG LEU 79 HG LEU 79 10.686 -5.760 -4.125 630 HD11 LEU 79 HD11 LEU 79 12.511 -4.196 -3.767 631 HD12 LEU 79 HD12 LEU 79 13.677 -5.507 -3.950 632 HD13 LEU 79 HD13 LEU 79 12.556 -5.508 -2.590 633 HD21 LEU 79 HD21 LEU 79 12.645 -6.120 -6.371 634 HD22 LEU 79 HD22 LEU 79 11.890 -4.568 -6.009 635 HD23 LEU 79 HD23 LEU 79 10.890 -5.953 -6.454 636 H GLY 80 H GLY 80 12.647 -10.445 -5.132 637 HA2 GLY 80 HA2 GLY 80 13.981 -9.895 -7.558 638 HA3 GLY 80 HA3 GLY 80 14.160 -11.344 -6.600 639 H GLN 81 H GLN 81 11.075 -11.541 -6.877 640 HA GLN 81 HA GLN 81 11.105 -13.015 -9.376 641 HB2 GLN 81 HB2 GLN 81 9.337 -12.990 -6.944 642 HB3 GLN 81 HB3 GLN 81 8.920 -13.866 -8.396 643 HG2 GLN 81 HG2 GLN 81 11.611 -14.349 -7.326 644 HG3 GLN 81 HG3 GLN 81 10.272 -14.946 -6.356 645 HE21 GLN 81 HE21 GLN 81 11.946 -15.187 -9.395 646 HE22 GLN 81 HE22 GLN 81 11.252 -16.688 -9.894 647 HA PRO 82 HA PRO 82 8.710 -9.356 -10.832 648 HB2 PRO 82 HB2 PRO 82 9.553 -10.015 -13.516 649 HB3 PRO 82 HB3 PRO 82 10.005 -8.619 -12.535 650 HG2 PRO 82 HG2 PRO 82 11.757 -10.585 -13.234 651 HG3 PRO 82 HG3 PRO 82 11.920 -9.588 -11.775 652 HD2 PRO 82 HD2 PRO 82 10.872 -12.376 -12.046 653 HD3 PRO 82 HD3 PRO 82 11.914 -11.669 -10.790 654 H HIS 83 H HIS 83 8.740 -12.617 -12.212 655 HA HIS 83 HA HIS 83 6.223 -12.207 -13.602 656 HB2 HIS 83 HB2 HIS 83 8.262 -13.630 -14.376 657 HB3 HIS 83 HB3 HIS 83 7.599 -14.859 -13.308 658 HD1 HIS 83 HD1 HIS 83 5.271 -15.876 -13.988 659 HD2 HIS 83 HD2 HIS 83 6.922 -13.276 -16.776 660 HE1 HIS 83 HE1 HIS 83 3.962 -16.240 -16.104 661 HE2 HIS 83 HE2 HIS 83 4.978 -14.656 -17.778 662 H HIS 84 H HIS 84 4.369 -12.334 -12.564 663 HA HIS 84 HA HIS 84 3.855 -14.473 -10.649 664 HB2 HIS 84 HB2 HIS 84 4.318 -11.902 -9.810 665 HB3 HIS 84 HB3 HIS 84 2.566 -11.920 -9.972 666 HD1 HIS 84 HD1 HIS 84 5.327 -13.809 -8.189 667 HD2 HIS 84 HD2 HIS 84 1.237 -13.129 -7.910 668 HE1 HIS 84 HE1 HIS 84 4.616 -14.869 -6.022 669 HE2 HIS 84 HE2 HIS 84 2.136 -14.445 -5.873 670 H GLU 85 H GLU 85 2.058 -15.488 -11.264 671 HA GLU 85 HA GLU 85 0.185 -14.134 -12.961 672 HB2 GLU 85 HB2 GLU 85 1.632 -16.242 -13.723 673 HB3 GLU 85 HB3 GLU 85 0.304 -17.098 -12.954 674 HG2 GLU 85 HG2 GLU 85 -1.275 -15.881 -14.413 675 HG3 GLU 85 HG3 GLU 85 0.099 -15.137 -15.227 676 H LEU 86 H LEU 86 -1.805 -14.106 -12.467 677 HA LEU 86 HA LEU 86 -3.005 -15.748 -10.420 678 HB2 LEU 86 HB2 LEU 86 -2.404 -13.828 -9.165 679 HB3 LEU 86 HB3 LEU 86 -2.798 -12.763 -10.484 680 HG LEU 86 HG LEU 86 -5.217 -13.582 -10.109 681 HD11 LEU 86 HD11 LEU 86 -4.822 -15.302 -8.488 682 HD12 LEU 86 HD12 LEU 86 -5.684 -13.984 -7.693 683 HD13 LEU 86 HD13 LEU 86 -3.950 -14.182 -7.441 684 HD21 LEU 86 HD21 LEU 86 -3.771 -11.633 -8.331 685 HD22 LEU 86 HD22 LEU 86 -5.528 -11.756 -8.429 686 HD23 LEU 86 HD23 LEU 86 -4.595 -11.301 -9.853 687 H ASP 87 H ASP 87 -4.904 -16.353 -11.053 688 HA ASP 87 HA ASP 87 -6.644 -16.927 -12.399 689 HB2 ASP 87 HB2 ASP 87 -7.194 -14.778 -11.214 690 HB3 ASP 87 HB3 ASP 87 -6.930 -13.988 -12.741 691 H SER 88 H SER 88 -4.220 -16.823 -13.636 692 HA SER 88 HA SER 88 -3.237 -17.187 -15.662 693 HB2 SER 88 HB2 SER 88 -5.442 -18.181 -16.335 694 HB3 SER 88 HB3 SER 88 -5.911 -16.602 -16.965 695 HG SER 88 HG SER 88 -3.478 -17.680 -17.816 696 H LYS 89 H LYS 89 -3.909 -14.388 -14.452 697 HA LYS 89 HA LYS 89 -2.911 -12.844 -16.726 698 HB2 LYS 89 HB2 LYS 89 -4.050 -11.100 -14.762 699 HB3 LYS 89 HB3 LYS 89 -4.474 -11.262 -16.453 700 HG2 LYS 89 HG2 LYS 89 -5.604 -13.323 -14.676 701 HG3 LYS 89 HG3 LYS 89 -6.189 -11.680 -14.408 702 HD2 LYS 89 HD2 LYS 89 -6.682 -11.541 -16.856 703 HD3 LYS 89 HD3 LYS 89 -6.267 -13.252 -16.982 704 HE2 LYS 89 HE2 LYS 89 -8.053 -13.839 -15.472 705 HE3 LYS 89 HE3 LYS 89 -8.411 -12.138 -15.180 706 HZ1 LYS 89 HZ1 LYS 89 -9.027 -11.910 -17.510 707 HZ2 LYS 89 HZ2 LYS 89 -9.964 -13.096 -16.751 708 HZ3 LYS 89 HZ3 LYS 89 -8.698 -13.548 -17.778 709 H THR 90 H THR 90 -1.199 -11.712 -16.408 710 HA THR 90 HA THR 90 0.480 -12.158 -14.127 711 HB THR 90 HB THR 90 1.096 -10.220 -16.351 712 HG1 THR 90 HG1 THR 90 2.029 -12.208 -17.363 713 HG21 THR 90 HG21 THR 90 2.836 -12.100 -14.740 714 HG22 THR 90 HG22 THR 90 2.717 -10.355 -14.514 715 HG23 THR 90 HG23 THR 90 3.399 -11.005 -16.004 716 H ILE 91 H ILE 91 0.597 -10.934 -12.341 717 HA ILE 91 HA ILE 91 -0.473 -8.197 -12.409 718 HB ILE 91 HB ILE 91 -0.914 -8.412 -10.006 719 HG12 ILE 91 HG12 ILE 91 -0.235 -11.304 -10.271 720 HG13 ILE 91 HG13 ILE 91 0.792 -10.149 -9.454 721 HG21 ILE 91 HG21 ILE 91 -2.129 -10.561 -11.714 722 HG22 ILE 91 HG22 ILE 91 -2.649 -8.877 -11.620 723 HG23 ILE 91 HG23 ILE 91 -2.822 -9.934 -10.220 724 HD11 ILE 91 HD11 ILE 91 -1.971 -10.143 -8.497 725 HD12 ILE 91 HD12 ILE 91 -0.448 -10.228 -7.590 726 HD13 ILE 91 HD13 ILE 91 -1.147 -11.693 -8.277 727 H ASP 92 H ASP 92 0.603 -6.691 -10.613 728 HA ASP 92 HA ASP 92 3.500 -7.099 -11.003 729 HB2 ASP 92 HB2 ASP 92 2.221 -5.242 -12.252 730 HB3 ASP 92 HB3 ASP 92 2.219 -4.411 -10.705 731 HA PRO 93 HA PRO 93 3.363 -6.681 -6.427 732 HB2 PRO 93 HB2 PRO 93 5.446 -8.646 -6.225 733 HB3 PRO 93 HB3 PRO 93 3.755 -8.817 -5.748 734 HG2 PRO 93 HG2 PRO 93 4.915 -10.205 -7.816 735 HG3 PRO 93 HG3 PRO 93 3.177 -9.886 -7.668 736 HD2 PRO 93 HD2 PRO 93 5.216 -8.481 -9.344 737 HD3 PRO 93 HD3 PRO 93 3.533 -8.908 -9.724 738 H LYS 94 H LYS 94 4.473 -5.013 -5.599 739 HA LYS 94 HA LYS 94 7.367 -4.838 -5.962 740 HB2 LYS 94 HB2 LYS 94 7.257 -2.447 -6.687 741 HB3 LYS 94 HB3 LYS 94 6.638 -3.575 -7.880 742 HG2 LYS 94 HG2 LYS 94 4.440 -2.746 -6.296 743 HG3 LYS 94 HG3 LYS 94 5.351 -1.300 -6.733 744 HD2 LYS 94 HD2 LYS 94 5.236 -1.923 -9.084 745 HD3 LYS 94 HD3 LYS 94 4.380 -3.408 -8.665 746 HE2 LYS 94 HE2 LYS 94 2.542 -2.075 -7.737 747 HE3 LYS 94 HE3 LYS 94 3.396 -0.597 -8.179 748 HZ1 LYS 94 HZ1 LYS 94 2.395 -2.667 -10.059 749 HZ2 LYS 94 HZ2 LYS 94 3.268 -1.290 -10.508 750 HZ3 LYS 94 HZ3 LYS 94 1.731 -1.130 -9.820 751 H VAL 95 H VAL 95 8.407 -3.246 -4.524 752 HA VAL 95 HA VAL 95 7.057 -3.099 -1.971 753 HB VAL 95 HB VAL 95 9.777 -2.062 -2.589 754 HG11 VAL 95 HG11 VAL 95 8.542 -2.918 0.018 755 HG12 VAL 95 HG12 VAL 95 8.859 -1.255 -0.476 756 HG13 VAL 95 HG13 VAL 95 10.203 -2.362 -0.198 757 HG21 VAL 95 HG21 VAL 95 9.322 -4.544 -3.109 758 HG22 VAL 95 HG22 VAL 95 9.279 -4.742 -1.358 759 HG23 VAL 95 HG23 VAL 95 10.739 -4.135 -2.143 760 H ALA 96 H ALA 96 6.409 -1.263 -0.881 761 HA ALA 96 HA ALA 96 5.553 0.921 -2.444 762 HB1 ALA 96 HB1 ALA 96 4.577 1.779 -0.411 763 HB2 ALA 96 HB2 ALA 96 5.514 0.630 0.544 764 HB3 ALA 96 HB3 ALA 96 4.270 0.049 -0.564 765 H PHE 97 H PHE 97 6.108 3.048 -2.449 766 HA PHE 97 HA PHE 97 8.638 3.839 -1.203 767 HB2 PHE 97 HB2 PHE 97 7.580 4.079 -3.952 768 HB3 PHE 97 HB3 PHE 97 8.384 5.501 -3.318 769 HD1 PHE 97 HD1 PHE 97 8.780 1.986 -4.236 770 HD2 PHE 97 HD2 PHE 97 10.760 5.524 -2.949 771 HE1 PHE 97 HE1 PHE 97 10.955 0.957 -4.769 772 HE2 PHE 97 HE2 PHE 97 12.937 4.506 -3.479 773 HZ PHE 97 HZ PHE 97 13.036 2.220 -4.390 774 HA PRO 98 HA PRO 98 6.031 7.023 0.704 775 HB2 PRO 98 HB2 PRO 98 8.494 8.548 1.223 776 HB3 PRO 98 HB3 PRO 98 7.363 7.821 2.375 777 HG2 PRO 98 HG2 PRO 98 9.789 6.788 2.057 778 HG3 PRO 98 HG3 PRO 98 8.373 5.738 2.280 779 HD2 PRO 98 HD2 PRO 98 9.755 6.485 -0.278 780 HD3 PRO 98 HD3 PRO 98 9.287 4.877 0.319 781 H ARG 99 H ARG 99 5.109 8.958 0.181 782 HA ARG 99 HA ARG 99 6.252 10.419 -2.115 783 HB2 ARG 99 HB2 ARG 99 3.396 9.816 -1.382 784 HB3 ARG 99 HB3 ARG 99 3.804 11.121 -2.486 785 HG2 ARG 99 HG2 ARG 99 4.801 9.584 -4.033 786 HG3 ARG 99 HG3 ARG 99 4.616 8.249 -2.895 787 HD2 ARG 99 HD2 ARG 99 2.264 9.820 -3.917 788 HD3 ARG 99 HD3 ARG 99 2.908 8.429 -4.787 789 HE ARG 99 HE ARG 99 2.483 7.607 -2.175 790 HH11 ARG 99 HH11 ARG 99 0.491 8.756 -4.832 791 HH12 ARG 99 HH12 ARG 99 -0.905 7.872 -4.316 792 HH21 ARG 99 HH21 ARG 99 -0.819 6.573 -2.445 793 HH22 ARG 99 HH22 ARG 99 0.642 6.457 -1.523 794 H ARG 100 H ARG 100 4.520 10.779 0.961 795 HA ARG 100 HA ARG 100 4.679 13.683 0.854 796 HB2 ARG 100 HB2 ARG 100 3.457 11.719 2.773 797 HB3 ARG 100 HB3 ARG 100 3.639 13.412 3.209 798 HG2 ARG 100 HG2 ARG 100 2.407 13.052 0.596 799 HG3 ARG 100 HG3 ARG 100 1.488 12.299 1.899 800 HD2 ARG 100 HD2 ARG 100 1.613 14.459 3.141 801 HD3 ARG 100 HD3 ARG 100 2.371 15.178 1.720 802 HE ARG 100 HE ARG 100 0.158 14.263 0.625 803 HH11 ARG 100 HH11 ARG 100 -1.096 16.593 3.649 804 HH12 ARG 100 HH12 ARG 100 0.497 15.914 3.709 805 HH21 ARG 100 HH21 ARG 100 -1.926 15.156 0.576 806 HH22 ARG 100 HH22 ARG 100 -2.465 16.164 1.878 807 H ALA 101 H ALA 101 6.301 14.832 1.650 808 HA ALA 101 HA ALA 101 7.965 13.736 3.762 809 HB1 ALA 101 HB1 ALA 101 9.869 13.936 2.594 810 HB2 ALA 101 HB2 ALA 101 9.406 15.517 1.970 811 HB3 ALA 101 HB3 ALA 101 8.828 14.054 1.173 812 H GLN 102 H GLN 102 9.427 15.582 4.703 813 HA GLN 102 HA GLN 102 7.665 17.879 5.235 814 HB2 GLN 102 HB2 GLN 102 9.742 16.509 6.932 815 HB3 GLN 102 HB3 GLN 102 9.157 18.121 7.317 816 HG2 GLN 102 HG2 GLN 102 6.850 17.198 7.398 817 HG3 GLN 102 HG3 GLN 102 7.537 15.589 7.177 818 HE21 GLN 102 HE21 GLN 102 7.167 18.281 9.338 819 HE22 GLN 102 HE22 GLN 102 7.706 17.473 10.767 820 HA PRO 103 HA PRO 103 11.024 20.090 3.099 821 HB2 PRO 103 HB2 PRO 103 9.609 22.219 2.288 822 HB3 PRO 103 HB3 PRO 103 9.439 20.642 1.506 823 HG2 PRO 103 HG2 PRO 103 7.636 21.973 3.465 824 HG3 PRO 103 HG3 PRO 103 7.228 20.972 2.058 825 HD2 PRO 103 HD2 PRO 103 7.268 20.083 4.688 826 HD3 PRO 103 HD3 PRO 103 7.350 19.044 3.253 827 H LYS 104 H LYS 104 11.859 22.409 3.221 828 HA LYS 104 HA LYS 104 12.070 23.191 6.016 829 HB2 LYS 104 HB2 LYS 104 13.536 24.027 3.513 830 HB3 LYS 104 HB3 LYS 104 13.787 24.824 5.058 831 HG2 LYS 104 HG2 LYS 104 14.566 22.753 6.040 832 HG3 LYS 104 HG3 LYS 104 14.230 21.891 4.536 833 HD2 LYS 104 HD2 LYS 104 15.898 23.197 3.371 834 HD3 LYS 104 HD3 LYS 104 16.175 24.183 4.807 835 HE2 LYS 104 HE2 LYS 104 17.010 22.239 6.004 836 HE3 LYS 104 HE3 LYS 104 16.672 21.213 4.610 837 HZ1 LYS 104 HZ1 LYS 104 19.017 21.856 4.763 838 HZ2 LYS 104 HZ2 LYS 104 18.585 23.485 4.620 839 HZ3 LYS 104 HZ3 LYS 104 18.302 22.421 3.337 840 H MET 105 H MET 105 11.251 25.006 6.913 841 HA MET 105 HA MET 105 9.386 26.593 5.342 842 HB2 MET 105 HB2 MET 105 9.962 26.405 8.294 843 HB3 MET 105 HB3 MET 105 8.888 27.627 7.626 844 HG2 MET 105 HG2 MET 105 7.480 25.848 6.684 845 HG3 MET 105 HG3 MET 105 8.542 24.645 7.415 846 HE1 MET 105 HE1 MET 105 6.304 23.596 8.488 847 HE2 MET 105 HE2 MET 105 5.314 24.901 7.835 848 HE3 MET 105 HE3 MET 105 5.219 24.496 9.547 849 H VAL 106 H VAL 106 9.463 28.798 5.054 850 HA VAL 106 HA VAL 106 12.045 30.079 5.643 851 HB VAL 106 HB VAL 106 10.220 30.692 3.295 852 HG11 VAL 106 HG11 VAL 106 12.971 31.732 3.975 853 HG12 VAL 106 HG12 VAL 106 11.468 32.653 3.943 854 HG13 VAL 106 HG13 VAL 106 12.137 32.006 2.444 855 HG21 VAL 106 HG21 VAL 106 12.860 29.227 3.319 856 HG22 VAL 106 HG22 VAL 106 11.933 29.666 1.885 857 HG23 VAL 106 HG23 VAL 106 11.276 28.503 3.037 858 H THR 107 H THR 107 8.612 30.850 5.034 859 HA THR 107 HA THR 107 8.764 33.336 6.371 860 HB THR 107 HB THR 107 7.282 33.198 4.499 861 HG1 THR 107 HG1 THR 107 5.756 34.368 5.419 862 HG21 THR 107 HG21 THR 107 5.727 31.078 5.992 863 HG22 THR 107 HG22 THR 107 6.694 30.828 4.538 864 HG23 THR 107 HG23 THR 107 5.242 31.827 4.471 865 H ARG 108 H ARG 108 9.369 33.000 8.432 866 HA ARG 108 HA ARG 108 7.429 31.658 10.194 867 HB2 ARG 108 HB2 ARG 108 9.372 31.367 11.803 868 HB3 ARG 108 HB3 ARG 108 9.407 30.375 10.357 869 HG2 ARG 108 HG2 ARG 108 11.015 31.994 9.356 870 HG3 ARG 108 HG3 ARG 108 11.045 32.847 10.900 871 HD2 ARG 108 HD2 ARG 108 11.925 30.902 12.013 872 HD3 ARG 108 HD3 ARG 108 11.751 29.936 10.548 873 HE ARG 108 HE ARG 108 13.416 32.223 10.150 874 HH11 ARG 108 HH11 ARG 108 13.452 28.935 11.388 875 HH12 ARG 108 HH12 ARG 108 15.151 28.732 11.120 876 HH21 ARG 108 HH21 ARG 108 16.385 30.430 10.226 877 HH22 ARG 108 HH22 ARG 108 15.634 31.933 9.805 878 H THR 109 H THR 109 9.634 34.408 9.882 879 HA THR 109 HA THR 109 8.190 35.750 12.065 880 HB THR 109 HB THR 109 10.520 35.557 12.639 881 HG1 THR 109 HG1 THR 109 10.116 38.239 11.787 882 HG21 THR 109 HG21 THR 109 12.329 36.559 11.326 883 HG22 THR 109 HG22 THR 109 11.182 36.993 10.059 884 HG23 THR 109 HG23 THR 109 11.508 35.296 10.407 885 H LYS 110 H LYS 110 9.466 36.217 8.792 886 HA LYS 110 HA LYS 110 8.367 38.826 8.494 887 HB2 LYS 110 HB2 LYS 110 9.783 36.924 6.670 888 HB3 LYS 110 HB3 LYS 110 8.988 38.347 6.013 889 HG2 LYS 110 HG2 LYS 110 10.357 39.771 7.470 890 HG3 LYS 110 HG3 LYS 110 11.176 38.332 8.081 891 HD2 LYS 110 HD2 LYS 110 12.085 37.849 5.920 892 HD3 LYS 110 HD3 LYS 110 11.107 39.113 5.170 893 HE2 LYS 110 HE2 LYS 110 12.319 40.806 6.458 894 HE3 LYS 110 HE3 LYS 110 13.299 39.541 7.199 895 HZ1 LYS 110 HZ1 LYS 110 14.173 38.979 5.029 896 HZ2 LYS 110 HZ2 LYS 110 14.443 40.618 5.352 897 HZ3 LYS 110 HZ3 LYS 110 13.206 40.157 4.295 898 H LYS 111 H LYS 111 6.600 39.474 7.284 899 HA LYS 111 HA LYS 111 4.499 37.557 6.995 900 HB2 LYS 111 HB2 LYS 111 4.469 40.116 7.789 901 HB3 LYS 111 HB3 LYS 111 4.104 40.350 6.085 902 HG2 LYS 111 HG2 LYS 111 2.270 38.597 6.429 903 HG3 LYS 111 HG3 LYS 111 2.522 38.868 8.155 904 HD2 LYS 111 HD2 LYS 111 2.089 41.274 7.810 905 HD3 LYS 111 HD3 LYS 111 1.769 40.953 6.105 906 HE2 LYS 111 HE2 LYS 111 -0.353 41.021 7.078 907 HE3 LYS 111 HE3 LYS 111 0.001 39.300 6.943 908 HZ1 LYS 111 HZ1 LYS 111 0.227 40.966 9.391 909 HZ2 LYS 111 HZ2 LYS 111 0.717 39.350 9.288 910 HZ3 LYS 111 HZ3 LYS 111 -0.915 39.752 9.093 Start of MODEL 10 1 H1 MET -3 H1 MET -3 20.461 -15.429 23.740 2 H2 MET -3 H2 MET -3 21.850 -14.653 24.314 3 H3 MET -3 H3 MET -3 21.885 -15.456 22.825 4 HA MET -3 HA MET -3 21.773 -13.068 22.534 5 HB2 MET -3 HB2 MET -3 19.487 -14.800 21.652 6 HB3 MET -3 HB3 MET -3 19.539 -13.103 21.192 7 HG2 MET -3 HG2 MET -3 21.771 -13.493 20.192 8 HG3 MET -3 HG3 MET -3 21.596 -15.207 20.560 9 HE1 MET -3 HE1 MET -3 20.566 -16.884 18.901 10 HE2 MET -3 HE2 MET -3 19.054 -16.517 18.071 11 HE3 MET -3 HE3 MET -3 19.147 -16.399 19.828 12 H HIS -2 H HIS -2 19.090 -14.385 24.419 13 HA HIS -2 HA HIS -2 18.545 -11.672 25.423 14 HB2 HIS -2 HB2 HIS -2 16.590 -13.736 24.458 15 HB3 HIS -2 HB3 HIS -2 16.111 -12.559 25.676 16 HD1 HIS -2 HD1 HIS -2 17.536 -12.613 22.153 17 HD2 HIS -2 HD2 HIS -2 15.266 -10.192 24.654 18 HE1 HIS -2 HE1 HIS -2 16.787 -10.684 20.724 19 HE2 HIS -2 HE2 HIS -2 15.413 -9.232 22.258 20 H HIS -1 H HIS -1 18.188 -11.467 27.575 21 HA HIS -1 HA HIS -1 18.204 -13.912 29.209 22 HB2 HIS -1 HB2 HIS -1 19.570 -12.592 30.905 23 HB3 HIS -1 HB3 HIS -1 20.414 -13.104 29.452 24 HD1 HIS -1 HD1 HIS -1 19.685 -10.167 31.479 25 HD2 HIS -1 HD2 HIS -1 20.792 -10.911 27.543 26 HE1 HIS -1 HE1 HIS -1 20.544 -7.974 30.596 27 HE2 HIS -1 HE2 HIS -1 21.209 -8.447 28.213 28 H HIS 0 H HIS 0 17.416 -10.451 29.134 29 HA HIS 0 HA HIS 0 15.422 -10.877 31.252 30 HB2 HIS 0 HB2 HIS 0 16.957 -8.483 30.318 31 HB3 HIS 0 HB3 HIS 0 15.392 -8.244 31.087 32 HD1 HIS 0 HD1 HIS 0 18.916 -8.794 31.833 33 HD2 HIS 0 HD2 HIS 0 15.297 -9.317 33.807 34 HE1 HIS 0 HE1 HIS 0 19.505 -9.024 34.267 35 HE2 HIS 0 HE2 HIS 0 17.299 -9.339 35.444 36 H HIS 1 H HIS 1 13.312 -9.905 31.019 37 HA HIS 1 HA HIS 1 12.287 -10.190 28.316 38 HB2 HIS 1 HB2 HIS 1 11.074 -10.111 31.045 39 HB3 HIS 1 HB3 HIS 1 10.059 -9.753 29.652 40 HD1 HIS 1 HD1 HIS 1 12.141 -12.539 31.120 41 HD2 HIS 1 HD2 HIS 1 9.258 -11.940 28.188 42 HE1 HIS 1 HE1 HIS 1 11.474 -14.840 30.352 43 HE2 HIS 1 HE2 HIS 1 9.728 -14.453 28.578 44 H HIS 2 H HIS 2 12.566 -7.662 30.776 45 HA HIS 2 HA HIS 2 11.249 -5.723 29.032 46 HB2 HIS 2 HB2 HIS 2 12.207 -5.584 31.890 47 HB3 HIS 2 HB3 HIS 2 11.616 -4.174 31.018 48 HD1 HIS 2 HD1 HIS 2 10.492 -7.070 32.951 49 HD2 HIS 2 HD2 HIS 2 8.822 -4.391 30.249 50 HE1 HIS 2 HE1 HIS 2 8.003 -7.309 33.218 51 HE2 HIS 2 HE2 HIS 2 7.011 -5.679 31.574 52 H HIS 3 H HIS 3 12.236 -4.047 28.038 53 HA HIS 3 HA HIS 3 15.179 -3.931 28.194 54 HB2 HIS 3 HB2 HIS 3 13.323 -3.422 25.865 55 HB3 HIS 3 HB3 HIS 3 15.030 -2.995 25.847 56 HD1 HIS 3 HD1 HIS 3 12.722 -5.939 25.743 57 HD2 HIS 3 HD2 HIS 3 16.794 -5.141 25.531 58 HE1 HIS 3 HE1 HIS 3 13.787 -8.079 24.959 59 HE2 HIS 3 HE2 HIS 3 16.253 -7.572 24.836 60 H SER 4 H SER 4 16.168 -2.020 28.537 61 HA SER 4 HA SER 4 14.461 0.298 29.127 62 HB2 SER 4 HB2 SER 4 17.315 -0.305 29.943 63 HB3 SER 4 HB3 SER 4 16.415 1.141 30.401 64 HG SER 4 HG SER 4 16.321 -1.364 31.453 65 H THR 5 H THR 5 14.456 2.019 27.842 66 HA THR 5 HA THR 5 16.555 2.265 25.799 67 HB THR 5 HB THR 5 14.381 2.012 24.783 68 HG1 THR 5 HG1 THR 5 14.631 4.739 24.387 69 HG21 THR 5 HG21 THR 5 12.964 2.800 26.645 70 HG22 THR 5 HG22 THR 5 12.533 3.567 25.117 71 HG23 THR 5 HG23 THR 5 13.470 4.459 26.315 72 H SER 6 H SER 6 17.749 4.084 25.568 73 HA SER 6 HA SER 6 17.720 5.983 27.769 74 HB2 SER 6 HB2 SER 6 19.849 6.802 26.720 75 HB3 SER 6 HB3 SER 6 19.876 5.093 27.154 76 HG SER 6 HG SER 6 20.558 4.965 25.142 77 H VAL 7 H VAL 7 17.895 8.306 27.400 78 HA VAL 7 HA VAL 7 16.115 9.178 25.239 79 HB VAL 7 HB VAL 7 17.030 10.880 27.567 80 HG11 VAL 7 HG11 VAL 7 14.573 11.039 25.816 81 HG12 VAL 7 HG12 VAL 7 15.992 12.079 25.701 82 HG13 VAL 7 HG13 VAL 7 14.974 12.133 27.140 83 HG21 VAL 7 HG21 VAL 7 14.573 9.126 27.483 84 HG22 VAL 7 HG22 VAL 7 14.988 10.273 28.758 85 HG23 VAL 7 HG23 VAL 7 16.000 8.855 28.484 86 H ASP 8 H ASP 8 19.426 9.149 26.039 87 HA ASP 8 HA ASP 8 20.036 11.502 24.402 88 HB2 ASP 8 HB2 ASP 8 21.718 9.837 26.275 89 HB3 ASP 8 HB3 ASP 8 22.417 11.043 25.199 90 H LEU 9 H LEU 9 20.977 8.067 24.660 91 HA LEU 9 HA LEU 9 22.149 8.120 21.989 92 HB2 LEU 9 HB2 LEU 9 22.038 6.051 24.178 93 HB3 LEU 9 HB3 LEU 9 22.570 5.635 22.568 94 HG LEU 9 HG LEU 9 24.466 5.954 24.050 95 HD11 LEU 9 HD11 LEU 9 24.649 6.599 21.650 96 HD12 LEU 9 HD12 LEU 9 25.810 7.381 22.721 97 HD13 LEU 9 HD13 LEU 9 24.408 8.276 22.142 98 HD21 LEU 9 HD21 LEU 9 25.024 8.120 25.024 99 HD22 LEU 9 HD22 LEU 9 23.494 7.506 25.651 100 HD23 LEU 9 HD23 LEU 9 23.500 8.784 24.435 101 H GLY 10 H GLY 10 21.140 7.448 20.197 102 HA2 GLY 10 HA2 GLY 10 19.083 5.428 20.288 103 HA3 GLY 10 HA3 GLY 10 18.478 7.028 19.899 104 H THR 11 H THR 11 20.973 4.685 18.909 105 HA THR 11 HA THR 11 20.252 5.061 16.128 106 HB THR 11 HB THR 11 21.884 6.827 16.293 107 HG1 THR 11 HG1 THR 11 21.992 5.494 14.412 108 HG21 THR 11 HG21 THR 11 24.211 6.467 16.969 109 HG22 THR 11 HG22 THR 11 23.845 4.791 17.376 110 HG23 THR 11 HG23 THR 11 23.109 6.103 18.297 111 H GLU 12 H GLU 12 21.960 3.329 18.613 112 HA GLU 12 HA GLU 12 22.650 1.145 16.819 113 HB2 GLU 12 HB2 GLU 12 24.254 2.115 18.551 114 HB3 GLU 12 HB3 GLU 12 23.258 1.319 19.760 115 HG2 GLU 12 HG2 GLU 12 23.762 -0.838 18.814 116 HG3 GLU 12 HG3 GLU 12 24.664 -0.085 17.500 117 H ASN 13 H ASN 13 21.333 1.240 20.070 118 HA ASN 13 HA ASN 13 19.882 -1.209 19.748 119 HB2 ASN 13 HB2 ASN 13 21.056 -0.210 21.855 120 HB3 ASN 13 HB3 ASN 13 19.549 0.655 22.072 121 HD21 ASN 13 HD21 ASN 13 21.013 -1.390 23.521 122 HD22 ASN 13 HD22 ASN 13 19.880 -2.632 23.782 123 H LEU 14 H LEU 14 19.162 1.905 18.817 124 HA LEU 14 HA LEU 14 16.350 1.933 19.511 125 HB2 LEU 14 HB2 LEU 14 18.017 3.927 19.224 126 HB3 LEU 14 HB3 LEU 14 17.592 3.796 17.534 127 HG LEU 14 HG LEU 14 15.128 3.936 18.465 128 HD11 LEU 14 HD11 LEU 14 14.978 5.434 20.402 129 HD12 LEU 14 HD12 LEU 14 16.724 5.321 20.616 130 HD13 LEU 14 HD13 LEU 14 15.716 3.888 20.819 131 HD21 LEU 14 HD21 LEU 14 16.978 6.306 18.231 132 HD22 LEU 14 HD22 LEU 14 15.217 6.372 18.163 133 HD23 LEU 14 HD23 LEU 14 16.116 5.514 16.912 134 H TYR 15 H TYR 15 14.632 1.972 18.035 135 HA TYR 15 HA TYR 15 14.988 0.229 15.725 136 HB2 TYR 15 HB2 TYR 15 12.573 1.260 17.216 137 HB3 TYR 15 HB3 TYR 15 12.424 0.409 15.682 138 HD1 TYR 15 HD1 TYR 15 12.754 -1.960 15.542 139 HD2 TYR 15 HD2 TYR 15 13.423 0.083 19.214 140 HE1 TYR 15 HE1 TYR 15 12.852 -4.117 16.719 141 HE2 TYR 15 HE2 TYR 15 13.520 -2.067 20.401 142 HH TYR 15 HH TYR 15 13.805 -5.036 18.802 143 H PHE 16 H PHE 16 14.585 0.840 13.617 144 HA PHE 16 HA PHE 16 14.204 3.687 13.134 145 HB2 PHE 16 HB2 PHE 16 16.414 2.424 12.511 146 HB3 PHE 16 HB3 PHE 16 15.481 1.885 11.119 147 HD1 PHE 16 HD1 PHE 16 17.091 4.720 12.750 148 HD2 PHE 16 HD2 PHE 16 14.755 3.470 9.419 149 HE1 PHE 16 HE1 PHE 16 17.578 6.848 11.615 150 HE2 PHE 16 HE2 PHE 16 15.242 5.593 8.276 151 HZ PHE 16 HZ PHE 16 16.654 7.286 9.374 152 H GLN 17 H GLN 17 13.446 0.454 11.863 153 HA GLN 17 HA GLN 17 11.529 1.507 9.954 154 HB2 GLN 17 HB2 GLN 17 12.428 -1.281 10.660 155 HB3 GLN 17 HB3 GLN 17 11.105 -0.979 9.543 156 HG2 GLN 17 HG2 GLN 17 12.634 0.323 8.121 157 HG3 GLN 17 HG3 GLN 17 13.955 -0.064 9.223 158 HE21 GLN 17 HE21 GLN 17 14.755 -2.164 9.296 159 HE22 GLN 17 HE22 GLN 17 14.430 -3.314 8.049 160 H SER 18 H SER 18 9.399 1.688 10.222 161 HA SER 18 HA SER 18 8.036 0.209 12.350 162 HB2 SER 18 HB2 SER 18 7.827 3.213 11.997 163 HB3 SER 18 HB3 SER 18 6.848 2.246 13.099 164 HG SER 18 HG SER 18 9.213 1.568 13.745 165 H ASN 19 H ASN 19 7.744 2.324 9.520 166 HA ASN 19 HA ASN 19 5.102 1.162 8.942 167 HB2 ASN 19 HB2 ASN 19 6.345 3.786 8.125 168 HB3 ASN 19 HB3 ASN 19 4.904 3.155 7.355 169 HD21 ASN 19 HD21 ASN 19 3.651 4.731 7.926 170 HD22 ASN 19 HD22 ASN 19 3.145 4.995 9.533 171 H ALA 20 H ALA 20 8.350 1.489 7.761 172 HA ALA 20 HA ALA 20 7.863 0.773 5.038 173 HB1 ALA 20 HB1 ALA 20 9.829 2.046 5.647 174 HB2 ALA 20 HB2 ALA 20 10.310 0.516 4.913 175 HB3 ALA 20 HB3 ALA 20 10.404 0.723 6.661 176 H GLY 21 H GLY 21 8.279 -1.186 3.979 177 HA2 GLY 21 HA2 GLY 21 9.189 -3.496 4.216 178 HA3 GLY 21 HA3 GLY 21 8.318 -3.564 5.737 179 H LYS 22 H LYS 22 6.271 -1.884 3.900 180 HA LYS 22 HA LYS 22 4.599 -4.155 3.327 181 HB2 LYS 22 HB2 LYS 22 4.298 -1.197 3.295 182 HB3 LYS 22 HB3 LYS 22 3.181 -2.147 2.325 183 HG2 LYS 22 HG2 LYS 22 2.161 -3.065 4.137 184 HG3 LYS 22 HG3 LYS 22 3.612 -2.943 5.142 185 HD2 LYS 22 HD2 LYS 22 3.344 -0.531 5.283 186 HD3 LYS 22 HD3 LYS 22 1.910 -0.620 4.255 187 HE2 LYS 22 HE2 LYS 22 0.773 -1.966 5.954 188 HE3 LYS 22 HE3 LYS 22 2.207 -1.892 6.976 189 HZ1 LYS 22 HZ1 LYS 22 0.627 0.465 6.103 190 HZ2 LYS 22 HZ2 LYS 22 1.950 0.480 7.158 191 HZ3 LYS 22 HZ3 LYS 22 0.508 -0.273 7.622 192 H MET 23 H MET 23 3.627 -4.599 1.341 193 HA MET 23 HA MET 23 5.106 -3.792 -1.014 194 HB2 MET 23 HB2 MET 23 4.135 -6.417 -0.037 195 HB3 MET 23 HB3 MET 23 3.957 -6.105 -1.750 196 HG2 MET 23 HG2 MET 23 6.472 -5.407 -1.594 197 HG3 MET 23 HG3 MET 23 6.437 -6.378 -0.124 198 HE1 MET 23 HE1 MET 23 5.835 -6.231 -3.904 199 HE2 MET 23 HE2 MET 23 6.494 -7.780 -4.432 200 HE3 MET 23 HE3 MET 23 7.545 -6.590 -3.661 201 H PHE 24 H PHE 24 3.922 -3.580 -2.854 202 HA PHE 24 HA PHE 24 1.072 -2.925 -2.576 203 HB2 PHE 24 HB2 PHE 24 2.519 -0.942 -2.854 204 HB3 PHE 24 HB3 PHE 24 3.183 -1.617 -4.323 205 HD1 PHE 24 HD1 PHE 24 2.641 0.604 -5.279 206 HD2 PHE 24 HD2 PHE 24 -0.419 -2.050 -3.962 207 HE1 PHE 24 HE1 PHE 24 0.988 1.851 -6.599 208 HE2 PHE 24 HE2 PHE 24 -2.064 -0.805 -5.284 209 HZ PHE 24 HZ PHE 24 -1.369 1.147 -6.604 210 H ILE 25 H ILE 25 -0.021 -4.526 -3.564 211 HA ILE 25 HA ILE 25 1.017 -5.935 -5.857 212 HB ILE 25 HB ILE 25 -1.586 -6.550 -4.663 213 HG12 ILE 25 HG12 ILE 25 -0.153 -6.138 -2.689 214 HG13 ILE 25 HG13 ILE 25 -0.686 -7.797 -2.795 215 HG21 ILE 25 HG21 ILE 25 -0.963 -7.898 -6.500 216 HG22 ILE 25 HG22 ILE 25 -0.823 -8.904 -5.058 217 HG23 ILE 25 HG23 ILE 25 0.623 -8.222 -5.802 218 HD11 ILE 25 HD11 ILE 25 1.483 -8.540 -3.430 219 HD12 ILE 25 HD12 ILE 25 1.692 -7.443 -2.064 220 HD13 ILE 25 HD13 ILE 25 2.034 -6.888 -3.703 221 H GLY 26 H GLY 26 0.400 -5.415 -7.809 222 HA2 GLY 26 HA2 GLY 26 -2.038 -3.901 -8.192 223 HA3 GLY 26 HA3 GLY 26 -0.624 -3.635 -9.152 224 H GLY 27 H GLY 27 -3.182 -4.045 -10.114 225 HA2 GLY 27 HA2 GLY 27 -4.107 -5.048 -11.959 226 HA3 GLY 27 HA3 GLY 27 -2.650 -6.006 -12.106 227 H LEU 28 H LEU 28 -4.451 -6.216 -9.111 228 HA LEU 28 HA LEU 28 -4.727 -8.969 -9.188 229 HB2 LEU 28 HB2 LEU 28 -6.494 -7.029 -7.673 230 HB3 LEU 28 HB3 LEU 28 -6.268 -8.721 -7.306 231 HG LEU 28 HG LEU 28 -3.960 -6.789 -7.212 232 HD11 LEU 28 HD11 LEU 28 -5.880 -7.450 -4.978 233 HD12 LEU 28 HD12 LEU 28 -5.731 -5.890 -5.785 234 HD13 LEU 28 HD13 LEU 28 -4.392 -6.518 -4.824 235 HD21 LEU 28 HD21 LEU 28 -3.448 -9.191 -7.181 236 HD22 LEU 28 HD22 LEU 28 -4.524 -9.405 -5.805 237 HD23 LEU 28 HD23 LEU 28 -3.063 -8.435 -5.636 238 H SER 29 H SER 29 -6.987 -10.106 -9.067 239 HA SER 29 HA SER 29 -8.464 -9.354 -11.442 240 HB2 SER 29 HB2 SER 29 -7.353 -11.647 -11.157 241 HB3 SER 29 HB3 SER 29 -8.607 -11.986 -9.965 242 HG SER 29 HG SER 29 -9.696 -12.584 -11.661 243 H TRP 30 H TRP 30 -10.765 -10.177 -11.278 244 HA TRP 30 HA TRP 30 -12.200 -8.605 -9.434 245 HB2 TRP 30 HB2 TRP 30 -14.152 -9.443 -10.660 246 HB3 TRP 30 HB3 TRP 30 -12.911 -8.909 -11.767 247 HD1 TRP 30 HD1 TRP 30 -11.159 -11.411 -12.139 248 HE1 TRP 30 HE1 TRP 30 -12.046 -13.576 -13.161 249 HE3 TRP 30 HE3 TRP 30 -16.177 -10.710 -11.362 250 HZ2 TRP 30 HZ2 TRP 30 -14.493 -14.821 -13.624 251 HZ3 TRP 30 HZ3 TRP 30 -17.726 -12.457 -12.145 252 HH2 TRP 30 HH2 TRP 30 -16.901 -14.472 -13.254 253 H GLN 31 H GLN 31 -11.049 -11.780 -9.446 254 HA GLN 31 HA GLN 31 -12.981 -12.817 -7.532 255 HB2 GLN 31 HB2 GLN 31 -10.785 -14.049 -9.163 256 HB3 GLN 31 HB3 GLN 31 -11.682 -14.955 -7.950 257 HG2 GLN 31 HG2 GLN 31 -13.770 -14.422 -9.207 258 HG3 GLN 31 HG3 GLN 31 -12.763 -13.698 -10.461 259 HE21 GLN 31 HE21 GLN 31 -13.613 -16.651 -8.826 260 HE22 GLN 31 HE22 GLN 31 -13.037 -17.731 -10.045 261 H THR 32 H THR 32 -9.744 -11.686 -7.773 262 HA THR 32 HA THR 32 -8.648 -12.920 -5.483 263 HB THR 32 HB THR 32 -7.636 -10.348 -6.465 264 HG1 THR 32 HG1 THR 32 -7.589 -11.085 -8.439 265 HG21 THR 32 HG21 THR 32 -6.398 -11.496 -4.707 266 HG22 THR 32 HG22 THR 32 -5.457 -11.474 -6.196 267 HG23 THR 32 HG23 THR 32 -6.304 -12.941 -5.709 268 H SER 33 H SER 33 -9.227 -12.626 -3.504 269 HA SER 33 HA SER 33 -10.200 -10.053 -2.479 270 HB2 SER 33 HB2 SER 33 -11.626 -12.162 -2.257 271 HB3 SER 33 HB3 SER 33 -10.390 -12.772 -1.160 272 HG SER 33 HG SER 33 -12.389 -11.422 -0.422 273 HA PRO 34 HA PRO 34 -6.462 -9.392 -0.134 274 HB2 PRO 34 HB2 PRO 34 -7.386 -9.009 2.450 275 HB3 PRO 34 HB3 PRO 34 -7.273 -7.753 1.211 276 HG2 PRO 34 HG2 PRO 34 -9.644 -9.374 2.026 277 HG3 PRO 34 HG3 PRO 34 -9.549 -7.646 1.624 278 HD2 PRO 34 HD2 PRO 34 -10.517 -9.376 -0.140 279 HD3 PRO 34 HD3 PRO 34 -9.453 -8.055 -0.665 280 H ASP 35 H ASP 35 -8.699 -11.741 0.977 281 HA ASP 35 HA ASP 35 -6.862 -13.095 2.740 282 HB2 ASP 35 HB2 ASP 35 -9.624 -13.323 2.013 283 HB3 ASP 35 HB3 ASP 35 -8.858 -14.878 2.185 284 H SER 36 H SER 36 -7.913 -13.223 -0.515 285 HA SER 36 HA SER 36 -6.880 -15.772 -1.228 286 HB2 SER 36 HB2 SER 36 -8.644 -14.525 -2.523 287 HB3 SER 36 HB3 SER 36 -7.386 -13.420 -3.071 288 HG SER 36 HG SER 36 -6.307 -15.447 -3.815 289 H LEU 37 H LEU 37 -5.606 -12.385 -1.549 290 HA LEU 37 HA LEU 37 -3.166 -13.337 -2.633 291 HB2 LEU 37 HB2 LEU 37 -2.442 -10.953 -2.190 292 HB3 LEU 37 HB3 LEU 37 -3.651 -11.275 -3.398 293 HG LEU 37 HG LEU 37 -4.766 -10.726 -0.811 294 HD11 LEU 37 HD11 LEU 37 -2.839 -9.264 -0.596 295 HD12 LEU 37 HD12 LEU 37 -4.284 -8.297 -0.883 296 HD13 LEU 37 HD13 LEU 37 -3.142 -8.592 -2.195 297 HD21 LEU 37 HD21 LEU 37 -5.974 -9.024 -2.310 298 HD22 LEU 37 HD22 LEU 37 -6.239 -10.730 -2.609 299 HD23 LEU 37 HD23 LEU 37 -5.140 -9.810 -3.637 300 H ARG 38 H ARG 38 -4.351 -12.638 0.563 301 HA ARG 38 HA ARG 38 -1.895 -12.604 1.924 302 HB2 ARG 38 HB2 ARG 38 -4.291 -11.936 2.756 303 HB3 ARG 38 HB3 ARG 38 -4.419 -13.636 3.187 304 HG2 ARG 38 HG2 ARG 38 -2.293 -13.335 4.519 305 HG3 ARG 38 HG3 ARG 38 -2.476 -11.601 4.251 306 HD2 ARG 38 HD2 ARG 38 -4.584 -13.349 5.513 307 HD3 ARG 38 HD3 ARG 38 -3.391 -12.430 6.429 308 HE ARG 38 HE ARG 38 -4.666 -10.649 4.720 309 HH11 ARG 38 HH11 ARG 38 -5.566 -12.664 7.448 310 HH12 ARG 38 HH12 ARG 38 -6.843 -11.607 7.952 311 HH21 ARG 38 HH21 ARG 38 -7.273 -9.689 6.793 312 HH22 ARG 38 HH22 ARG 38 -6.328 -9.276 5.401 313 H ASP 39 H ASP 39 -4.289 -15.121 1.165 314 HA ASP 39 HA ASP 39 -2.869 -17.283 2.306 315 HB2 ASP 39 HB2 ASP 39 -5.228 -16.943 0.586 316 HB3 ASP 39 HB3 ASP 39 -4.369 -18.462 0.348 317 H TYR 40 H TYR 40 -2.848 -15.812 -0.889 318 HA TYR 40 HA TYR 40 -1.287 -17.774 -2.207 319 HB2 TYR 40 HB2 TYR 40 -2.877 -15.871 -3.119 320 HB3 TYR 40 HB3 TYR 40 -1.384 -14.939 -3.147 321 HD1 TYR 40 HD1 TYR 40 -2.992 -18.018 -4.430 322 HD2 TYR 40 HD2 TYR 40 0.195 -15.242 -4.873 323 HE1 TYR 40 HE1 TYR 40 -2.410 -19.044 -6.591 324 HE2 TYR 40 HE2 TYR 40 0.791 -16.257 -7.031 325 HH TYR 40 HH TYR 40 -1.236 -18.402 -8.676 326 H PHE 41 H PHE 41 -0.540 -14.554 -0.865 327 HA PHE 41 HA PHE 41 2.204 -14.592 -1.500 328 HB2 PHE 41 HB2 PHE 41 0.377 -12.852 -0.005 329 HB3 PHE 41 HB3 PHE 41 2.090 -12.605 0.186 330 HD1 PHE 41 HD1 PHE 41 -0.722 -12.558 -2.168 331 HD2 PHE 41 HD2 PHE 41 3.409 -11.677 -1.629 332 HE1 PHE 41 HE1 PHE 41 -0.704 -11.311 -4.292 333 HE2 PHE 41 HE2 PHE 41 3.429 -10.432 -3.741 334 HZ PHE 41 HZ PHE 41 1.373 -10.250 -5.080 335 H SER 42 H SER 42 0.364 -15.741 1.235 336 HA SER 42 HA SER 42 2.402 -15.776 3.207 337 HB2 SER 42 HB2 SER 42 0.985 -17.522 4.335 338 HB3 SER 42 HB3 SER 42 0.111 -16.048 3.934 339 HG SER 42 HG SER 42 -0.522 -17.216 1.960 340 H LYS 43 H LYS 43 1.908 -17.372 0.449 341 HA LYS 43 HA LYS 43 3.153 -19.890 0.990 342 HB2 LYS 43 HB2 LYS 43 1.999 -18.511 -1.377 343 HB3 LYS 43 HB3 LYS 43 3.057 -19.871 -1.637 344 HG2 LYS 43 HG2 LYS 43 1.167 -20.606 0.350 345 HG3 LYS 43 HG3 LYS 43 0.304 -19.882 -1.007 346 HD2 LYS 43 HD2 LYS 43 1.371 -21.423 -2.546 347 HD3 LYS 43 HD3 LYS 43 2.327 -22.110 -1.232 348 HE2 LYS 43 HE2 LYS 43 0.338 -22.950 -0.163 349 HE3 LYS 43 HE3 LYS 43 -0.685 -22.149 -1.355 350 HZ1 LYS 43 HZ1 LYS 43 -0.384 -24.537 -1.787 351 HZ2 LYS 43 HZ2 LYS 43 1.277 -24.287 -1.987 352 HZ3 LYS 43 HZ3 LYS 43 0.181 -23.576 -3.061 353 H PHE 44 H PHE 44 4.253 -16.769 0.329 354 HA PHE 44 HA PHE 44 6.830 -17.647 -0.768 355 HB2 PHE 44 HB2 PHE 44 5.201 -15.321 -1.093 356 HB3 PHE 44 HB3 PHE 44 6.809 -14.869 -0.558 357 HD1 PHE 44 HD1 PHE 44 4.785 -16.037 -3.285 358 HD2 PHE 44 HD2 PHE 44 8.787 -15.593 -1.905 359 HE1 PHE 44 HE1 PHE 44 5.605 -16.330 -5.584 360 HE2 PHE 44 HE2 PHE 44 9.616 -15.887 -4.200 361 HZ PHE 44 HZ PHE 44 8.017 -16.259 -6.046 362 H GLY 45 H GLY 45 5.313 -16.053 1.925 363 HA2 GLY 45 HA2 GLY 45 7.362 -16.674 3.748 364 HA3 GLY 45 HA3 GLY 45 7.335 -14.960 3.358 365 H GLU 46 H GLU 46 6.738 -14.691 5.595 366 HA GLU 46 HA GLU 46 4.036 -15.394 6.224 367 HB2 GLU 46 HB2 GLU 46 5.898 -15.973 7.847 368 HB3 GLU 46 HB3 GLU 46 6.007 -14.245 8.171 369 HG2 GLU 46 HG2 GLU 46 3.765 -14.169 8.966 370 HG3 GLU 46 HG3 GLU 46 3.458 -15.815 8.433 371 H ILE 47 H ILE 47 2.576 -14.021 6.426 372 HA ILE 47 HA ILE 47 3.091 -11.198 5.926 373 HB ILE 47 HB ILE 47 0.592 -12.728 5.474 374 HG12 ILE 47 HG12 ILE 47 1.830 -11.310 3.291 375 HG13 ILE 47 HG13 ILE 47 2.842 -12.563 3.977 376 HG21 ILE 47 HG21 ILE 47 -0.228 -10.652 4.343 377 HG22 ILE 47 HG22 ILE 47 1.137 -9.811 5.082 378 HG23 ILE 47 HG23 ILE 47 -0.107 -10.537 6.099 379 HD11 ILE 47 HD11 ILE 47 1.766 -13.851 2.406 380 HD12 ILE 47 HD12 ILE 47 0.376 -12.762 2.355 381 HD13 ILE 47 HD13 ILE 47 0.528 -13.924 3.664 382 H ARG 48 H ARG 48 2.498 -9.647 7.222 383 HA ARG 48 HA ARG 48 1.596 -10.287 9.909 384 HB2 ARG 48 HB2 ARG 48 3.524 -8.671 8.962 385 HB3 ARG 48 HB3 ARG 48 2.207 -7.528 9.013 386 HG2 ARG 48 HG2 ARG 48 1.985 -7.675 11.316 387 HG3 ARG 48 HG3 ARG 48 2.890 -9.185 11.404 388 HD2 ARG 48 HD2 ARG 48 4.903 -7.894 10.609 389 HD3 ARG 48 HD3 ARG 48 3.957 -6.424 10.841 390 HE ARG 48 HE ARG 48 3.748 -7.588 13.239 391 HH11 ARG 48 HH11 ARG 48 7.648 -6.867 12.601 392 HH12 ARG 48 HH12 ARG 48 6.579 -7.002 11.244 393 HH21 ARG 48 HH21 ARG 48 6.848 -7.099 14.723 394 HH22 ARG 48 HH22 ARG 48 5.167 -7.413 14.998 395 H GLU 49 H GLU 49 0.684 -8.387 7.099 396 HA GLU 49 HA GLU 49 -2.082 -8.290 7.848 397 HB2 GLU 49 HB2 GLU 49 -0.728 -6.254 8.915 398 HB3 GLU 49 HB3 GLU 49 -0.912 -5.593 7.298 399 HG2 GLU 49 HG2 GLU 49 -3.328 -5.783 7.474 400 HG3 GLU 49 HG3 GLU 49 -3.168 -6.510 9.073 401 H CYS 50 H CYS 50 -3.366 -7.440 6.122 402 HA CYS 50 HA CYS 50 -2.184 -7.023 3.568 403 HB2 CYS 50 HB2 CYS 50 -2.430 -9.366 3.408 404 HB3 CYS 50 HB3 CYS 50 -4.010 -9.328 4.176 405 HG CYS 50 HG CYS 50 -5.351 -9.290 1.994 406 H MET 51 H MET 51 -3.547 -6.060 2.101 407 HA MET 51 HA MET 51 -6.168 -5.173 2.851 408 HB2 MET 51 HB2 MET 51 -4.775 -3.597 4.018 409 HB3 MET 51 HB3 MET 51 -3.932 -3.255 2.539 410 HG2 MET 51 HG2 MET 51 -5.946 -2.278 1.583 411 HG3 MET 51 HG3 MET 51 -6.809 -2.614 3.085 412 HE1 MET 51 HE1 MET 51 -6.153 0.195 1.339 413 HE2 MET 51 HE2 MET 51 -6.050 1.362 2.659 414 HE3 MET 51 HE3 MET 51 -7.353 0.173 2.631 415 H VAL 52 H VAL 52 -7.409 -4.914 1.216 416 HA VAL 52 HA VAL 52 -6.396 -4.250 -1.445 417 HB VAL 52 HB VAL 52 -8.653 -6.091 -0.850 418 HG11 VAL 52 HG11 VAL 52 -9.106 -4.913 -2.910 419 HG12 VAL 52 HG12 VAL 52 -8.672 -6.590 -3.269 420 HG13 VAL 52 HG13 VAL 52 -7.488 -5.296 -3.500 421 HG21 VAL 52 HG21 VAL 52 -7.338 -7.893 -1.436 422 HG22 VAL 52 HG22 VAL 52 -6.245 -6.879 -0.490 423 HG23 VAL 52 HG23 VAL 52 -6.155 -6.868 -2.251 424 H MET 53 H MET 53 -7.215 -2.501 -2.196 425 HA MET 53 HA MET 53 -9.003 -0.881 -0.689 426 HB2 MET 53 HB2 MET 53 -7.396 -0.539 -3.158 427 HB3 MET 53 HB3 MET 53 -8.742 0.564 -2.924 428 HG2 MET 53 HG2 MET 53 -7.695 0.874 -0.545 429 HG3 MET 53 HG3 MET 53 -6.244 0.251 -1.324 430 HE1 MET 53 HE1 MET 53 -9.184 2.775 -2.271 431 HE2 MET 53 HE2 MET 53 -8.294 4.290 -2.112 432 HE3 MET 53 HE3 MET 53 -8.532 3.254 -0.704 433 H ARG 54 H ARG 54 -11.068 -1.018 -0.631 434 HA ARG 54 HA ARG 54 -12.630 -1.317 -3.096 435 HB2 ARG 54 HB2 ARG 54 -12.727 -3.045 -0.666 436 HB3 ARG 54 HB3 ARG 54 -14.253 -2.650 -1.448 437 HG2 ARG 54 HG2 ARG 54 -13.275 -3.509 -3.586 438 HG3 ARG 54 HG3 ARG 54 -11.893 -4.077 -2.649 439 HD2 ARG 54 HD2 ARG 54 -14.728 -4.858 -2.011 440 HD3 ARG 54 HD3 ARG 54 -13.720 -5.773 -3.130 441 HE ARG 54 HE ARG 54 -12.157 -5.703 -0.973 442 HH11 ARG 54 HH11 ARG 54 -15.561 -7.534 0.124 443 HH12 ARG 54 HH12 ARG 54 -15.576 -6.463 -1.237 444 HH21 ARG 54 HH21 ARG 54 -12.160 -7.113 0.803 445 HH22 ARG 54 HH22 ARG 54 -13.628 -7.902 1.277 446 H ASP 55 H ASP 55 -14.814 -0.438 -2.909 447 HA ASP 55 HA ASP 55 -14.937 1.781 -1.106 448 HB2 ASP 55 HB2 ASP 55 -16.031 1.155 -3.718 449 HB3 ASP 55 HB3 ASP 55 -17.073 2.102 -2.690 450 HA PRO 56 HA PRO 56 -17.724 -0.681 1.538 451 HB2 PRO 56 HB2 PRO 56 -18.177 2.001 2.743 452 HB3 PRO 56 HB3 PRO 56 -17.757 0.469 3.524 453 HG2 PRO 56 HG2 PRO 56 -15.930 2.367 3.242 454 HG3 PRO 56 HG3 PRO 56 -15.509 0.657 3.021 455 HD2 PRO 56 HD2 PRO 56 -15.931 2.773 0.959 456 HD3 PRO 56 HD3 PRO 56 -14.762 1.437 0.988 457 H THR 57 H THR 57 -18.576 1.846 -0.610 458 HA THR 57 HA THR 57 -21.333 2.031 0.128 459 HB THR 57 HB THR 57 -21.534 3.324 -2.055 460 HG1 THR 57 HG1 THR 57 -18.820 3.763 -2.100 461 HG21 THR 57 HG21 THR 57 -19.533 4.326 -0.028 462 HG22 THR 57 HG22 THR 57 -21.286 4.398 0.152 463 HG23 THR 57 HG23 THR 57 -20.492 5.315 -1.130 464 H THR 58 H THR 58 -19.537 0.561 -2.557 465 HA THR 58 HA THR 58 -21.891 -1.113 -3.147 466 HB THR 58 HB THR 58 -21.331 -1.054 -5.536 467 HG1 THR 58 HG1 THR 58 -19.268 0.708 -4.670 468 HG21 THR 58 HG21 THR 58 -21.662 1.641 -4.230 469 HG22 THR 58 HG22 THR 58 -22.941 0.568 -4.807 470 HG23 THR 58 HG23 THR 58 -21.866 1.358 -5.961 471 H LYS 59 H LYS 59 -18.719 -1.071 -2.178 472 HA LYS 59 HA LYS 59 -17.024 -2.519 -1.966 473 HB2 LYS 59 HB2 LYS 59 -19.387 -4.361 -1.960 474 HB3 LYS 59 HB3 LYS 59 -17.748 -4.998 -1.796 475 HG2 LYS 59 HG2 LYS 59 -17.729 -4.430 0.352 476 HG3 LYS 59 HG3 LYS 59 -18.001 -2.745 -0.105 477 HD2 LYS 59 HD2 LYS 59 -20.445 -3.253 -0.216 478 HD3 LYS 59 HD3 LYS 59 -20.090 -4.844 0.466 479 HE2 LYS 59 HE2 LYS 59 -19.008 -3.675 2.398 480 HE3 LYS 59 HE3 LYS 59 -19.605 -2.155 1.736 481 HZ1 LYS 59 HZ1 LYS 59 -21.872 -3.066 1.908 482 HZ2 LYS 59 HZ2 LYS 59 -21.107 -2.938 3.411 483 HZ3 LYS 59 HZ3 LYS 59 -21.249 -4.447 2.661 484 H ARG 60 H ARG 60 -16.898 -1.511 -4.189 485 HA ARG 60 HA ARG 60 -16.547 -3.520 -6.293 486 HB2 ARG 60 HB2 ARG 60 -16.260 -1.594 -7.808 487 HB3 ARG 60 HB3 ARG 60 -17.777 -1.529 -6.930 488 HG2 ARG 60 HG2 ARG 60 -17.232 0.385 -5.855 489 HG3 ARG 60 HG3 ARG 60 -15.531 -0.056 -5.708 490 HD2 ARG 60 HD2 ARG 60 -15.190 0.473 -8.072 491 HD3 ARG 60 HD3 ARG 60 -16.891 0.915 -8.219 492 HE ARG 60 HE ARG 60 -16.063 2.528 -6.242 493 HH11 ARG 60 HH11 ARG 60 -13.983 3.477 -9.545 494 HH12 ARG 60 HH12 ARG 60 -14.680 1.897 -9.408 495 HH21 ARG 60 HH21 ARG 60 -15.142 4.589 -6.442 496 HH22 ARG 60 HH22 ARG 60 -14.245 4.999 -7.866 497 H SER 61 H SER 61 -14.608 -4.262 -6.882 498 HA SER 61 HA SER 61 -12.215 -3.164 -5.593 499 HB2 SER 61 HB2 SER 61 -12.755 -5.626 -5.455 500 HB3 SER 61 HB3 SER 61 -12.462 -5.723 -7.190 501 HG SER 61 HG SER 61 -10.332 -4.821 -6.688 502 H ARG 62 H ARG 62 -10.536 -2.271 -6.706 503 HA ARG 62 HA ARG 62 -10.977 -1.725 -9.541 504 HB2 ARG 62 HB2 ARG 62 -9.388 -0.412 -7.385 505 HB3 ARG 62 HB3 ARG 62 -8.871 -0.200 -9.054 506 HG2 ARG 62 HG2 ARG 62 -11.170 0.599 -9.593 507 HG3 ARG 62 HG3 ARG 62 -11.535 0.540 -7.868 508 HD2 ARG 62 HD2 ARG 62 -10.017 2.254 -7.373 509 HD3 ARG 62 HD3 ARG 62 -9.193 2.091 -8.923 510 HE ARG 62 HE ARG 62 -11.401 2.924 -9.880 511 HH11 ARG 62 HH11 ARG 62 -11.052 5.449 -6.778 512 HH12 ARG 62 HH12 ARG 62 -10.218 3.931 -6.728 513 HH21 ARG 62 HH21 ARG 62 -12.479 4.910 -9.920 514 HH22 ARG 62 HH22 ARG 62 -12.330 6.002 -8.583 515 H GLY 63 H GLY 63 -9.225 -3.857 -7.647 516 HA2 GLY 63 HA2 GLY 63 -7.956 -5.635 -8.498 517 HA3 GLY 63 HA3 GLY 63 -7.669 -4.710 -9.958 518 H PHE 64 H PHE 64 -7.082 -3.731 -6.580 519 HA PHE 64 HA PHE 64 -4.245 -4.125 -6.791 520 HB2 PHE 64 HB2 PHE 64 -3.481 -1.896 -6.749 521 HB3 PHE 64 HB3 PHE 64 -4.658 -1.976 -8.047 522 HD1 PHE 64 HD1 PHE 64 -6.526 -0.562 -8.058 523 HD2 PHE 64 HD2 PHE 64 -4.145 -0.921 -4.581 524 HE1 PHE 64 HE1 PHE 64 -7.693 1.382 -7.079 525 HE2 PHE 64 HE2 PHE 64 -5.286 1.025 -3.574 526 HZ PHE 64 HZ PHE 64 -7.070 2.177 -4.828 527 H GLY 65 H GLY 65 -3.115 -3.941 -4.819 528 HA2 GLY 65 HA2 GLY 65 -4.382 -3.019 -2.473 529 HA3 GLY 65 HA3 GLY 65 -4.299 -4.770 -2.554 530 H PHE 66 H PHE 66 -2.989 -4.245 -0.610 531 HA PHE 66 HA PHE 66 -0.199 -4.125 -1.193 532 HB2 PHE 66 HB2 PHE 66 -1.725 -2.784 0.973 533 HB3 PHE 66 HB3 PHE 66 -0.004 -2.950 0.994 534 HD1 PHE 66 HD1 PHE 66 1.384 -1.441 -0.226 535 HD2 PHE 66 HD2 PHE 66 -2.837 -1.449 -0.789 536 HE1 PHE 66 HE1 PHE 66 1.556 0.658 -1.504 537 HE2 PHE 66 HE2 PHE 66 -2.670 0.647 -2.078 538 HZ PHE 66 HZ PHE 66 -0.472 1.700 -2.437 539 H VAL 67 H VAL 67 1.052 -5.069 0.614 540 HA VAL 67 HA VAL 67 -0.276 -6.903 2.389 541 HB VAL 67 HB VAL 67 1.594 -7.996 0.243 542 HG11 VAL 67 HG11 VAL 67 2.298 -9.371 1.903 543 HG12 VAL 67 HG12 VAL 67 0.782 -10.210 1.566 544 HG13 VAL 67 HG13 VAL 67 0.878 -9.061 2.902 545 HG21 VAL 67 HG21 VAL 67 -0.777 -7.762 -0.441 546 HG22 VAL 67 HG22 VAL 67 -1.229 -8.819 0.897 547 HG23 VAL 67 HG23 VAL 67 -0.223 -9.438 -0.413 548 H THR 68 H THR 68 0.739 -7.163 4.115 549 HA THR 68 HA THR 68 3.318 -5.867 4.411 550 HB THR 68 HB THR 68 1.518 -6.532 6.645 551 HG1 THR 68 HG1 THR 68 0.556 -5.260 4.731 552 HG21 THR 68 HG21 THR 68 3.049 -5.407 7.832 553 HG22 THR 68 HG22 THR 68 2.867 -4.006 6.782 554 HG23 THR 68 HG23 THR 68 4.018 -5.286 6.355 555 H PHE 69 H PHE 69 4.813 -7.307 4.190 556 HA PHE 69 HA PHE 69 4.588 -9.958 5.186 557 HB2 PHE 69 HB2 PHE 69 6.579 -8.431 3.612 558 HB3 PHE 69 HB3 PHE 69 7.093 -9.901 4.420 559 HD1 PHE 69 HD1 PHE 69 5.986 -12.060 3.885 560 HD2 PHE 69 HD2 PHE 69 5.218 -8.493 1.697 561 HE1 PHE 69 HE1 PHE 69 5.008 -13.396 2.070 562 HE2 PHE 69 HE2 PHE 69 4.247 -9.831 -0.137 563 HZ PHE 69 HZ PHE 69 4.152 -12.288 0.063 564 H ALA 70 H ALA 70 5.106 -10.623 7.168 565 HA ALA 70 HA ALA 70 6.304 -8.908 9.052 566 HB1 ALA 70 HB1 ALA 70 5.628 -11.802 9.415 567 HB2 ALA 70 HB2 ALA 70 4.492 -10.476 9.642 568 HB3 ALA 70 HB3 ALA 70 5.896 -10.621 10.695 569 H ASP 71 H ASP 71 7.755 -10.519 6.807 570 HA ASP 71 HA ASP 71 10.202 -10.902 8.302 571 HB2 ASP 71 HB2 ASP 71 8.970 -12.984 7.445 572 HB3 ASP 71 HB3 ASP 71 9.537 -12.504 5.878 573 HA PRO 72 HA PRO 72 11.791 -8.134 5.107 574 HB2 PRO 72 HB2 PRO 72 14.437 -8.770 6.028 575 HB3 PRO 72 HB3 PRO 72 13.577 -7.256 6.113 576 HG2 PRO 72 HG2 PRO 72 14.165 -8.693 8.317 577 HG3 PRO 72 HG3 PRO 72 12.725 -7.662 8.194 578 HD2 PRO 72 HD2 PRO 72 12.949 -10.627 7.906 579 HD3 PRO 72 HD3 PRO 72 11.687 -9.651 8.690 580 H ALA 73 H ALA 73 12.563 -11.371 5.676 581 HA ALA 73 HA ALA 73 14.350 -11.734 3.477 582 HB1 ALA 73 HB1 ALA 73 12.959 -13.804 5.147 583 HB2 ALA 73 HB2 ALA 73 14.554 -13.124 5.467 584 HB3 ALA 73 HB3 ALA 73 14.287 -14.104 4.025 585 H SER 74 H SER 74 10.972 -11.983 4.003 586 HA SER 74 HA SER 74 10.340 -13.532 1.691 587 HB2 SER 74 HB2 SER 74 8.882 -13.208 3.774 588 HB3 SER 74 HB3 SER 74 8.412 -11.670 3.046 589 HG SER 74 HG SER 74 8.139 -14.236 1.860 590 H VAL 75 H VAL 75 10.736 -10.172 2.335 591 HA VAL 75 HA VAL 75 9.631 -9.176 -0.065 592 HB VAL 75 HB VAL 75 11.770 -7.792 1.549 593 HG11 VAL 75 HG11 VAL 75 9.507 -6.700 -0.129 594 HG12 VAL 75 HG12 VAL 75 11.224 -6.671 -0.529 595 HG13 VAL 75 HG13 VAL 75 10.618 -5.722 0.830 596 HG21 VAL 75 HG21 VAL 75 8.806 -7.774 2.128 597 HG22 VAL 75 HG22 VAL 75 10.012 -6.761 2.921 598 HG23 VAL 75 HG23 VAL 75 10.057 -8.513 3.126 599 H ASP 76 H ASP 76 12.704 -10.339 0.922 600 HA ASP 76 HA ASP 76 14.238 -9.538 -1.304 601 HB2 ASP 76 HB2 ASP 76 14.889 -10.391 1.104 602 HB3 ASP 76 HB3 ASP 76 14.902 -11.948 0.309 603 H LYS 77 H LYS 77 12.556 -12.408 -0.368 604 HA LYS 77 HA LYS 77 13.191 -14.063 -2.527 605 HB2 LYS 77 HB2 LYS 77 10.879 -14.145 -0.608 606 HB3 LYS 77 HB3 LYS 77 11.178 -15.398 -1.804 607 HG2 LYS 77 HG2 LYS 77 13.512 -15.565 -0.715 608 HG3 LYS 77 HG3 LYS 77 12.771 -14.695 0.629 609 HD2 LYS 77 HD2 LYS 77 11.048 -16.432 0.799 610 HD3 LYS 77 HD3 LYS 77 11.797 -17.303 -0.541 611 HE2 LYS 77 HE2 LYS 77 13.223 -16.651 2.033 612 HE3 LYS 77 HE3 LYS 77 12.358 -18.161 1.755 613 HZ1 LYS 77 HZ1 LYS 77 14.736 -18.370 1.318 614 HZ2 LYS 77 HZ2 LYS 77 14.639 -17.173 0.127 615 HZ3 LYS 77 HZ3 LYS 77 13.831 -18.643 -0.085 616 H VAL 78 H VAL 78 10.518 -11.877 -1.993 617 HA VAL 78 HA VAL 78 9.158 -12.562 -4.416 618 HB VAL 78 HB VAL 78 8.673 -10.260 -2.504 619 HG11 VAL 78 HG11 VAL 78 6.500 -9.978 -3.584 620 HG12 VAL 78 HG12 VAL 78 6.908 -11.227 -4.760 621 HG13 VAL 78 HG13 VAL 78 7.807 -9.709 -4.738 622 HG21 VAL 78 HG21 VAL 78 8.276 -12.465 -1.524 623 HG22 VAL 78 HG22 VAL 78 7.212 -12.877 -2.868 624 HG23 VAL 78 HG23 VAL 78 6.761 -11.590 -1.750 625 H LEU 79 H LEU 79 11.477 -10.099 -3.430 626 HA LEU 79 HA LEU 79 11.271 -8.305 -5.547 627 HB2 LEU 79 HB2 LEU 79 12.573 -8.484 -3.223 628 HB3 LEU 79 HB3 LEU 79 13.874 -8.934 -4.288 629 HG LEU 79 HG LEU 79 13.850 -6.579 -3.590 630 HD11 LEU 79 HD11 LEU 79 15.060 -7.221 -5.584 631 HD12 LEU 79 HD12 LEU 79 14.345 -5.622 -5.796 632 HD13 LEU 79 HD13 LEU 79 13.600 -7.029 -6.554 633 HD21 LEU 79 HD21 LEU 79 11.634 -6.006 -5.499 634 HD22 LEU 79 HD22 LEU 79 12.254 -5.026 -4.170 635 HD23 LEU 79 HD23 LEU 79 11.267 -6.448 -3.832 636 H GLY 80 H GLY 80 13.067 -11.332 -5.201 637 HA2 GLY 80 HA2 GLY 80 14.542 -11.053 -7.611 638 HA3 GLY 80 HA3 GLY 80 14.449 -12.493 -6.627 639 H GLN 81 H GLN 81 11.382 -12.084 -6.920 640 HA GLN 81 HA GLN 81 11.117 -13.613 -9.371 641 HB2 GLN 81 HB2 GLN 81 9.397 -13.157 -6.947 642 HB3 GLN 81 HB3 GLN 81 8.799 -13.966 -8.374 643 HG2 GLN 81 HG2 GLN 81 11.338 -14.961 -7.271 644 HG3 GLN 81 HG3 GLN 81 9.894 -15.257 -6.312 645 HE21 GLN 81 HE21 GLN 81 11.508 -15.884 -9.330 646 HE22 GLN 81 HE22 GLN 81 10.535 -17.230 -9.805 647 HA PRO 82 HA PRO 82 9.522 -9.598 -10.954 648 HB2 PRO 82 HB2 PRO 82 10.130 -10.502 -13.623 649 HB3 PRO 82 HB3 PRO 82 10.919 -9.226 -12.692 650 HG2 PRO 82 HG2 PRO 82 12.135 -11.578 -13.370 651 HG3 PRO 82 HG3 PRO 82 12.588 -10.590 -11.970 652 HD2 PRO 82 HD2 PRO 82 10.927 -13.070 -12.069 653 HD3 PRO 82 HD3 PRO 82 12.136 -12.560 -10.872 654 H HIS 83 H HIS 83 8.847 -12.806 -12.333 655 HA HIS 83 HA HIS 83 6.380 -11.867 -13.556 656 HB2 HIS 83 HB2 HIS 83 8.109 -13.599 -14.495 657 HB3 HIS 83 HB3 HIS 83 7.229 -14.735 -13.483 658 HD1 HIS 83 HD1 HIS 83 4.804 -15.325 -14.202 659 HD2 HIS 83 HD2 HIS 83 6.740 -12.677 -16.753 660 HE1 HIS 83 HE1 HIS 83 3.371 -15.209 -16.265 661 HE2 HIS 83 HE2 HIS 83 4.561 -13.601 -17.797 662 H HIS 84 H HIS 84 4.444 -12.011 -12.653 663 HA HIS 84 HA HIS 84 3.890 -13.983 -10.565 664 HB2 HIS 84 HB2 HIS 84 4.347 -11.345 -9.968 665 HB3 HIS 84 HB3 HIS 84 2.598 -11.374 -10.160 666 HD1 HIS 84 HD1 HIS 84 1.288 -13.050 -8.556 667 HD2 HIS 84 HD2 HIS 84 5.285 -12.413 -7.617 668 HE1 HIS 84 HE1 HIS 84 1.572 -13.905 -6.209 669 HE2 HIS 84 HE2 HIS 84 3.999 -13.510 -5.661 670 H GLU 85 H GLU 85 2.162 -15.094 -11.202 671 HA GLU 85 HA GLU 85 0.266 -13.865 -12.969 672 HB2 GLU 85 HB2 GLU 85 1.788 -15.929 -13.660 673 HB3 GLU 85 HB3 GLU 85 0.521 -16.825 -12.832 674 HG2 GLU 85 HG2 GLU 85 -1.147 -15.843 -14.319 675 HG3 GLU 85 HG3 GLU 85 0.123 -14.942 -15.147 676 H LEU 86 H LEU 86 -1.724 -13.872 -12.479 677 HA LEU 86 HA LEU 86 -2.910 -15.507 -10.435 678 HB2 LEU 86 HB2 LEU 86 -2.329 -13.545 -9.191 679 HB3 LEU 86 HB3 LEU 86 -2.813 -12.501 -10.503 680 HG LEU 86 HG LEU 86 -5.158 -13.553 -10.076 681 HD11 LEU 86 HD11 LEU 86 -5.555 -13.907 -7.657 682 HD12 LEU 86 HD12 LEU 86 -3.811 -13.858 -7.396 683 HD13 LEU 86 HD13 LEU 86 -4.521 -15.138 -8.380 684 HD21 LEU 86 HD21 LEU 86 -4.752 -11.211 -9.960 685 HD22 LEU 86 HD22 LEU 86 -3.887 -11.378 -8.433 686 HD23 LEU 86 HD23 LEU 86 -5.624 -11.675 -8.500 687 H ASP 87 H ASP 87 -4.894 -16.029 -11.006 688 HA ASP 87 HA ASP 87 -6.664 -16.554 -12.320 689 HB2 ASP 87 HB2 ASP 87 -7.095 -14.302 -11.323 690 HB3 ASP 87 HB3 ASP 87 -6.697 -13.631 -12.878 691 H SER 88 H SER 88 -4.219 -16.744 -13.483 692 HA SER 88 HA SER 88 -3.215 -17.348 -15.434 693 HB2 SER 88 HB2 SER 88 -5.914 -16.797 -16.696 694 HB3 SER 88 HB3 SER 88 -4.557 -17.572 -17.513 695 HG SER 88 HG SER 88 -5.334 -18.650 -15.071 696 H LYS 89 H LYS 89 -3.743 -14.363 -14.554 697 HA LYS 89 HA LYS 89 -2.512 -13.228 -16.936 698 HB2 LYS 89 HB2 LYS 89 -3.603 -11.001 -16.043 699 HB3 LYS 89 HB3 LYS 89 -4.462 -12.063 -17.132 700 HG2 LYS 89 HG2 LYS 89 -5.713 -12.993 -15.247 701 HG3 LYS 89 HG3 LYS 89 -4.822 -11.944 -14.140 702 HD2 LYS 89 HD2 LYS 89 -5.808 -10.000 -15.015 703 HD3 LYS 89 HD3 LYS 89 -6.375 -10.837 -16.460 704 HE2 LYS 89 HE2 LYS 89 -7.362 -11.534 -13.708 705 HE3 LYS 89 HE3 LYS 89 -8.111 -10.272 -14.683 706 HZ1 LYS 89 HZ1 LYS 89 -8.527 -11.916 -16.414 707 HZ2 LYS 89 HZ2 LYS 89 -9.255 -12.372 -14.957 708 HZ3 LYS 89 HZ3 LYS 89 -7.827 -13.125 -15.459 709 H THR 90 H THR 90 -1.146 -11.578 -16.613 710 HA THR 90 HA THR 90 0.592 -11.858 -14.333 711 HB THR 90 HB THR 90 0.988 -9.861 -16.553 712 HG1 THR 90 HG1 THR 90 0.915 -12.617 -16.723 713 HG21 THR 90 HG21 THR 90 2.584 -9.879 -14.645 714 HG22 THR 90 HG22 THR 90 3.346 -10.291 -16.180 715 HG23 THR 90 HG23 THR 90 2.964 -11.561 -15.018 716 H ILE 91 H ILE 91 0.644 -10.603 -12.579 717 HA ILE 91 HA ILE 91 -0.733 -8.000 -12.646 718 HB ILE 91 HB ILE 91 -1.180 -8.242 -10.260 719 HG12 ILE 91 HG12 ILE 91 -0.259 -11.066 -10.416 720 HG13 ILE 91 HG13 ILE 91 0.759 -9.803 -9.756 721 HG21 ILE 91 HG21 ILE 91 -2.108 -10.554 -11.936 722 HG22 ILE 91 HG22 ILE 91 -2.832 -8.946 -11.874 723 HG23 ILE 91 HG23 ILE 91 -2.885 -9.992 -10.455 724 HD11 ILE 91 HD11 ILE 91 -0.476 -9.635 -7.854 725 HD12 ILE 91 HD12 ILE 91 -0.830 -11.319 -8.243 726 HD13 ILE 91 HD13 ILE 91 -1.994 -10.049 -8.668 727 H ASP 92 H ASP 92 0.182 -6.467 -10.712 728 HA ASP 92 HA ASP 92 3.086 -6.462 -11.206 729 HB2 ASP 92 HB2 ASP 92 1.549 -4.698 -12.273 730 HB3 ASP 92 HB3 ASP 92 1.452 -4.011 -10.656 731 HA PRO 93 HA PRO 93 2.942 -6.337 -6.587 732 HB2 PRO 93 HB2 PRO 93 4.891 -8.437 -6.455 733 HB3 PRO 93 HB3 PRO 93 3.191 -8.516 -5.978 734 HG2 PRO 93 HG2 PRO 93 4.264 -9.912 -8.092 735 HG3 PRO 93 HG3 PRO 93 2.549 -9.492 -7.929 736 HD2 PRO 93 HD2 PRO 93 4.670 -8.153 -9.560 737 HD3 PRO 93 HD3 PRO 93 2.968 -8.473 -9.962 738 H LYS 94 H LYS 94 4.179 -4.734 -5.759 739 HA LYS 94 HA LYS 94 7.061 -4.848 -6.065 740 HB2 LYS 94 HB2 LYS 94 7.286 -2.505 -6.875 741 HB3 LYS 94 HB3 LYS 94 6.609 -3.611 -8.049 742 HG2 LYS 94 HG2 LYS 94 5.203 -1.865 -8.387 743 HG3 LYS 94 HG3 LYS 94 4.323 -2.643 -7.072 744 HD2 LYS 94 HD2 LYS 94 4.863 -1.004 -5.570 745 HD3 LYS 94 HD3 LYS 94 6.410 -0.655 -6.334 746 HE2 LYS 94 HE2 LYS 94 3.808 0.026 -7.663 747 HE3 LYS 94 HE3 LYS 94 4.565 1.114 -6.500 748 HZ1 LYS 94 HZ1 LYS 94 6.552 1.137 -7.896 749 HZ2 LYS 94 HZ2 LYS 94 5.199 1.692 -8.745 750 HZ3 LYS 94 HZ3 LYS 94 5.789 0.131 -9.023 751 H VAL 95 H VAL 95 8.262 -3.631 -4.618 752 HA VAL 95 HA VAL 95 6.963 -3.153 -2.100 753 HB VAL 95 HB VAL 95 9.817 -2.580 -2.613 754 HG11 VAL 95 HG11 VAL 95 8.354 -3.625 -0.204 755 HG12 VAL 95 HG12 VAL 95 8.993 -1.995 -0.418 756 HG13 VAL 95 HG13 VAL 95 10.096 -3.365 -0.293 757 HG21 VAL 95 HG21 VAL 95 8.763 -5.333 -2.026 758 HG22 VAL 95 HG22 VAL 95 10.449 -4.870 -2.264 759 HG23 VAL 95 HG23 VAL 95 9.314 -4.796 -3.612 760 H ALA 96 H ALA 96 6.686 -1.253 -1.025 761 HA ALA 96 HA ALA 96 6.607 1.178 -2.486 762 HB1 ALA 96 HB1 ALA 96 6.140 0.649 0.442 763 HB2 ALA 96 HB2 ALA 96 4.916 0.683 -0.828 764 HB3 ALA 96 HB3 ALA 96 5.774 2.160 -0.391 765 H PHE 97 H PHE 97 7.621 3.219 -1.793 766 HA PHE 97 HA PHE 97 10.372 2.821 -0.863 767 HB2 PHE 97 HB2 PHE 97 9.080 4.492 -2.921 768 HB3 PHE 97 HB3 PHE 97 10.355 5.273 -2.008 769 HD1 PHE 97 HD1 PHE 97 9.574 2.377 -4.165 770 HD2 PHE 97 HD2 PHE 97 12.627 4.772 -2.409 771 HE1 PHE 97 HE1 PHE 97 11.254 1.270 -5.583 772 HE2 PHE 97 HE2 PHE 97 14.311 3.667 -3.824 773 HZ PHE 97 HZ PHE 97 13.625 1.915 -5.412 774 HA PRO 98 HA PRO 98 9.059 5.340 2.699 775 HB2 PRO 98 HB2 PRO 98 11.767 5.205 3.719 776 HB3 PRO 98 HB3 PRO 98 10.323 4.388 4.325 777 HG2 PRO 98 HG2 PRO 98 12.385 3.052 3.182 778 HG3 PRO 98 HG3 PRO 98 10.704 2.491 3.107 779 HD2 PRO 98 HD2 PRO 98 12.290 3.955 1.030 780 HD3 PRO 98 HD3 PRO 98 11.207 2.558 0.853 781 H ARG 99 H ARG 99 9.549 7.370 3.697 782 HA ARG 99 HA ARG 99 11.045 9.204 1.946 783 HB2 ARG 99 HB2 ARG 99 8.750 9.579 3.853 784 HB3 ARG 99 HB3 ARG 99 9.720 10.949 3.329 785 HG2 ARG 99 HG2 ARG 99 8.942 10.851 1.174 786 HG3 ARG 99 HG3 ARG 99 8.584 9.125 1.268 787 HD2 ARG 99 HD2 ARG 99 6.661 9.547 2.645 788 HD3 ARG 99 HD3 ARG 99 7.061 11.260 2.752 789 HE ARG 99 HE ARG 99 6.782 11.006 0.136 790 HH11 ARG 99 HH11 ARG 99 4.731 9.720 2.679 791 HH12 ARG 99 HH12 ARG 99 3.298 9.771 1.707 792 HH21 ARG 99 HH21 ARG 99 3.392 10.535 -0.441 793 HH22 ARG 99 HH22 ARG 99 4.895 11.070 -1.116 794 H ARG 100 H ARG 100 12.725 10.412 2.692 795 HA ARG 100 HA ARG 100 13.637 9.868 5.433 796 HB2 ARG 100 HB2 ARG 100 14.993 9.576 3.097 797 HB3 ARG 100 HB3 ARG 100 15.489 11.199 3.558 798 HG2 ARG 100 HG2 ARG 100 16.232 10.355 5.729 799 HG3 ARG 100 HG3 ARG 100 15.741 8.727 5.259 800 HD2 ARG 100 HD2 ARG 100 17.344 8.817 3.386 801 HD3 ARG 100 HD3 ARG 100 17.865 10.411 3.936 802 HE ARG 100 HE ARG 100 18.254 8.958 6.133 803 HH11 ARG 100 HH11 ARG 100 20.552 7.329 3.272 804 HH12 ARG 100 HH12 ARG 100 19.171 8.266 2.814 805 HH21 ARG 100 HH21 ARG 100 20.058 7.722 6.708 806 HH22 ARG 100 HH22 ARG 100 21.054 7.021 5.477 807 H ALA 101 H ALA 101 14.963 11.705 6.425 808 HA ALA 101 HA ALA 101 13.314 14.028 6.569 809 HB1 ALA 101 HB1 ALA 101 14.145 14.277 8.643 810 HB2 ALA 101 HB2 ALA 101 15.806 14.049 8.101 811 HB3 ALA 101 HB3 ALA 101 14.777 12.647 8.396 812 H GLN 102 H GLN 102 14.589 16.200 6.962 813 HA GLN 102 HA GLN 102 15.685 17.984 6.123 814 HB2 GLN 102 HB2 GLN 102 17.609 15.838 5.273 815 HB3 GLN 102 HB3 GLN 102 17.884 17.526 4.862 816 HG2 GLN 102 HG2 GLN 102 17.757 18.069 7.287 817 HG3 GLN 102 HG3 GLN 102 17.671 16.340 7.618 818 HE21 GLN 102 HE21 GLN 102 19.676 18.963 6.556 819 HE22 GLN 102 HE22 GLN 102 21.183 18.125 6.655 820 HA PRO 103 HA PRO 103 13.960 18.410 2.020 821 HB2 PRO 103 HB2 PRO 103 14.378 21.048 1.646 822 HB3 PRO 103 HB3 PRO 103 13.175 20.444 2.794 823 HG2 PRO 103 HG2 PRO 103 15.921 21.486 3.324 824 HG3 PRO 103 HG3 PRO 103 14.417 21.765 4.226 825 HD2 PRO 103 HD2 PRO 103 16.330 19.959 4.986 826 HD3 PRO 103 HD3 PRO 103 14.613 19.826 5.411 827 H LYS 104 H LYS 104 14.694 19.774 -0.096 828 HA LYS 104 HA LYS 104 17.179 18.571 -0.938 829 HB2 LYS 104 HB2 LYS 104 15.082 20.207 -2.351 830 HB3 LYS 104 HB3 LYS 104 16.584 19.743 -3.139 831 HG2 LYS 104 HG2 LYS 104 16.043 17.392 -2.827 832 HG3 LYS 104 HG3 LYS 104 14.555 17.836 -1.987 833 HD2 LYS 104 HD2 LYS 104 13.739 18.940 -4.011 834 HD3 LYS 104 HD3 LYS 104 15.233 18.518 -4.849 835 HE2 LYS 104 HE2 LYS 104 14.726 16.146 -4.568 836 HE3 LYS 104 HE3 LYS 104 13.245 16.559 -3.704 837 HZ1 LYS 104 HZ1 LYS 104 12.798 16.017 -6.013 838 HZ2 LYS 104 HZ2 LYS 104 13.845 17.239 -6.533 839 HZ3 LYS 104 HZ3 LYS 104 12.424 17.639 -5.706 840 H MET 105 H MET 105 19.038 19.566 -1.591 841 HA MET 105 HA MET 105 19.503 22.258 -0.554 842 HB2 MET 105 HB2 MET 105 21.363 20.061 -1.464 843 HB3 MET 105 HB3 MET 105 21.926 21.667 -1.028 844 HG2 MET 105 HG2 MET 105 20.405 19.827 0.802 845 HG3 MET 105 HG3 MET 105 22.159 20.005 0.781 846 HE1 MET 105 HE1 MET 105 20.585 20.341 3.456 847 HE2 MET 105 HE2 MET 105 21.304 21.815 4.104 848 HE3 MET 105 HE3 MET 105 22.321 20.613 3.309 849 H VAL 106 H VAL 106 20.751 23.811 -1.784 850 HA VAL 106 HA VAL 106 20.182 23.669 -4.663 851 HB VAL 106 HB VAL 106 20.734 26.170 -3.032 852 HG11 VAL 106 HG11 VAL 106 21.281 26.489 -5.364 853 HG12 VAL 106 HG12 VAL 106 19.794 27.359 -4.988 854 HG13 VAL 106 HG13 VAL 106 19.722 25.826 -5.856 855 HG21 VAL 106 HG21 VAL 106 18.087 25.062 -3.967 856 HG22 VAL 106 HG22 VAL 106 18.327 26.646 -3.231 857 HG23 VAL 106 HG23 VAL 106 18.641 25.184 -2.298 858 H THR 107 H THR 107 22.622 25.022 -2.432 859 HA THR 107 HA THR 107 24.662 24.693 -4.447 860 HB THR 107 HB THR 107 25.079 26.046 -1.792 861 HG1 THR 107 HG1 THR 107 23.670 26.972 -4.035 862 HG21 THR 107 HG21 THR 107 26.326 26.516 -4.509 863 HG22 THR 107 HG22 THR 107 27.068 25.608 -3.191 864 HG23 THR 107 HG23 THR 107 26.760 27.335 -3.008 865 H ARG 108 H ARG 108 25.124 22.531 -4.379 866 HA ARG 108 HA ARG 108 25.737 21.240 -1.839 867 HB2 ARG 108 HB2 ARG 108 25.194 20.301 -4.613 868 HB3 ARG 108 HB3 ARG 108 26.157 19.268 -3.565 869 HG2 ARG 108 HG2 ARG 108 24.369 19.204 -1.934 870 HG3 ARG 108 HG3 ARG 108 23.409 20.314 -2.913 871 HD2 ARG 108 HD2 ARG 108 23.121 18.711 -4.623 872 HD3 ARG 108 HD3 ARG 108 24.377 17.667 -3.958 873 HE ARG 108 HE ARG 108 22.754 17.460 -1.990 874 HH11 ARG 108 HH11 ARG 108 21.697 17.836 -5.319 875 HH12 ARG 108 HH12 ARG 108 20.201 17.005 -5.057 876 HH21 ARG 108 HH21 ARG 108 19.691 16.175 -2.994 877 HH22 ARG 108 HH22 ARG 108 20.795 16.369 -1.673 878 H THR 109 H THR 109 27.692 20.341 -1.294 879 HA THR 109 HA THR 109 30.026 21.488 -2.637 880 HB THR 109 HB THR 109 31.261 20.572 -0.605 881 HG1 THR 109 HG1 THR 109 28.627 19.853 -0.003 882 HG21 THR 109 HG21 THR 109 29.088 22.630 -0.191 883 HG22 THR 109 HG22 THR 109 30.722 22.929 -0.784 884 HG23 THR 109 HG23 THR 109 30.472 22.390 0.876 885 H LYS 110 H LYS 110 31.715 20.282 -3.432 886 HA LYS 110 HA LYS 110 31.551 17.401 -3.377 887 HB2 LYS 110 HB2 LYS 110 31.499 19.091 -5.850 888 HB3 LYS 110 HB3 LYS 110 32.198 17.479 -5.897 889 HG2 LYS 110 HG2 LYS 110 30.134 16.466 -5.339 890 HG3 LYS 110 HG3 LYS 110 29.410 18.019 -4.915 891 HD2 LYS 110 HD2 LYS 110 29.461 18.731 -7.212 892 HD3 LYS 110 HD3 LYS 110 30.365 17.289 -7.682 893 HE2 LYS 110 HE2 LYS 110 27.650 17.117 -6.409 894 HE3 LYS 110 HE3 LYS 110 27.846 17.324 -8.149 895 HZ1 LYS 110 HZ1 LYS 110 28.991 15.090 -6.558 896 HZ2 LYS 110 HZ2 LYS 110 29.099 15.277 -8.235 897 HZ3 LYS 110 HZ3 LYS 110 27.597 14.991 -7.514 898 H LYS 111 H LYS 111 33.443 20.219 -4.394 899 HA LYS 111 HA LYS 111 35.907 18.752 -4.281 900 HB2 LYS 111 HB2 LYS 111 35.161 21.528 -5.111 901 HB3 LYS 111 HB3 LYS 111 36.845 21.121 -4.810 902 HG2 LYS 111 HG2 LYS 111 36.796 19.434 -6.525 903 HG3 LYS 111 HG3 LYS 111 35.065 19.681 -6.765 904 HD2 LYS 111 HD2 LYS 111 35.440 21.906 -7.591 905 HD3 LYS 111 HD3 LYS 111 37.155 21.815 -7.184 906 HE2 LYS 111 HE2 LYS 111 37.510 20.109 -8.841 907 HE3 LYS 111 HE3 LYS 111 35.781 20.008 -9.169 908 HZ1 LYS 111 HZ1 LYS 111 35.811 22.204 -10.076 909 HZ2 LYS 111 HZ2 LYS 111 37.037 21.314 -10.827 910 HZ3 LYS 111 HZ3 LYS 111 37.425 22.439 -9.625
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