NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634617 | 6c0a | 25902 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 822 HT1 ASP 822 -14.302 -9.348 -4.052 2 H2 ASP 822 HT2 ASP 822 -14.751 -7.793 -3.552 3 H3 ASP 822 HT3 ASP 822 -14.042 -8.021 -5.069 4 HA ASP 822 HA ASP 822 -15.934 -9.348 -5.774 5 HB2 ASP 822 HB2 ASP 822 -16.571 -10.118 -3.516 6 HB3 ASP 822 HB1 ASP 822 -17.116 -8.501 -3.128 7 H THR 823 HN THR 823 -17.232 -6.718 -3.743 8 HA THR 823 HA THR 823 -17.917 -5.268 -6.207 9 HB THR 823 HB THR 823 -18.876 -4.055 -3.737 10 HG1 THR 823 HG1 THR 823 -19.361 -6.824 -4.205 11 HG21 THR 823 HG21 THR 823 -20.505 -5.331 -5.918 12 HG22 THR 823 HG22 THR 823 -19.676 -3.796 -6.151 13 HG23 THR 823 HG23 THR 823 -20.914 -3.950 -4.897 14 H ASP 824 HN ASP 824 -15.434 -5.411 -4.213 15 HA ASP 824 HA ASP 824 -14.911 -2.543 -3.975 16 HB2 ASP 824 HB2 ASP 824 -13.045 -3.268 -2.530 17 HB3 ASP 824 HB1 ASP 824 -14.574 -3.945 -1.980 18 H THR 825 HN THR 825 -12.143 -2.620 -4.019 19 HA THR 825 HA THR 825 -11.412 -3.652 -6.667 20 HB THR 825 HB THR 825 -10.518 -0.901 -5.814 21 HG1 THR 825 HG1 THR 825 -12.977 -1.621 -7.060 22 HG21 THR 825 HG21 THR 825 -10.757 -2.364 -8.440 23 HG22 THR 825 HG22 THR 825 -9.306 -1.726 -7.672 24 HG23 THR 825 HG23 THR 825 -10.496 -0.622 -8.359 25 H ALA 826 HN ALA 826 -10.902 -4.150 -3.669 26 HA ALA 826 HA ALA 826 -8.030 -3.670 -3.436 27 HB1 ALA 826 HB1 ALA 826 -9.787 -5.229 -1.540 28 HB2 ALA 826 HB2 ALA 826 -9.538 -3.494 -1.430 29 HB3 ALA 826 HB3 ALA 826 -8.177 -4.593 -1.219 30 H ASP 827 HN ASP 827 -10.335 -6.274 -3.797 31 HA ASP 827 HA ASP 827 -8.553 -8.448 -3.943 32 HB2 ASP 827 HB2 ASP 827 -10.822 -9.019 -3.748 33 HB3 ASP 827 HB1 ASP 827 -11.315 -7.891 -5.000 34 H GLN 828 HN GLN 828 -9.651 -6.130 -6.326 35 HA GLN 828 HA GLN 828 -8.476 -7.406 -8.567 36 HB2 GLN 828 HB2 GLN 828 -9.517 -4.615 -8.083 37 HB3 GLN 828 HB1 GLN 828 -8.809 -5.097 -9.620 38 HG2 GLN 828 HG2 GLN 828 -11.238 -6.314 -8.303 39 HG3 GLN 828 HG1 GLN 828 -11.221 -5.241 -9.699 40 HE21 GLN 828 HE21 GLN 828 -10.644 -8.473 -8.551 41 HE22 GLN 828 HE22 GLN 828 -10.461 -9.197 -10.117 42 H VAL 829 HN VAL 829 -7.493 -4.685 -6.504 43 HA VAL 829 HA VAL 829 -5.054 -4.122 -7.767 44 HB VAL 829 HB VAL 829 -5.967 -3.713 -4.915 45 HG11 VAL 829 HG11 VAL 829 -3.998 -2.061 -4.849 46 HG12 VAL 829 HG12 VAL 829 -3.321 -3.029 -6.158 47 HG13 VAL 829 HG13 VAL 829 -3.662 -3.767 -4.600 48 HG21 VAL 829 HG21 VAL 829 -5.937 -1.307 -5.692 49 HG22 VAL 829 HG22 VAL 829 -7.152 -2.346 -6.435 50 HG23 VAL 829 HG23 VAL 829 -5.687 -1.930 -7.324 51 H MET 830 HN MET 830 -5.879 -6.428 -5.211 52 HA MET 830 HA MET 830 -3.292 -7.292 -4.584 53 HB2 MET 830 HB2 MET 830 -6.009 -8.557 -4.378 54 HB3 MET 830 HB1 MET 830 -4.574 -9.480 -3.984 55 HG2 MET 830 HG2 MET 830 -5.170 -6.819 -2.756 56 HG3 MET 830 HG1 MET 830 -5.751 -8.336 -2.064 57 HE1 MET 830 HE1 MET 830 -3.790 -10.435 -1.997 58 HE2 MET 830 HE2 MET 830 -4.351 -9.794 -0.452 59 HE3 MET 830 HE3 MET 830 -2.630 -10.065 -0.724 60 H ALA 831 HN ALA 831 -5.635 -8.633 -6.906 61 HA ALA 831 HA ALA 831 -4.002 -10.667 -7.922 62 HB1 ALA 831 HB1 ALA 831 -6.397 -10.545 -8.373 63 HB2 ALA 831 HB2 ALA 831 -5.470 -10.655 -9.875 64 HB3 ALA 831 HB3 ALA 831 -6.137 -9.106 -9.360 65 H SER 832 HN SER 832 -4.334 -7.274 -8.823 66 HA SER 832 HA SER 832 -2.601 -7.399 -11.068 67 HB2 SER 832 HB2 SER 832 -3.449 -5.050 -9.349 68 HB3 SER 832 HB1 SER 832 -2.629 -4.916 -10.901 69 HG SER 832 HG SER 832 -5.167 -6.102 -10.434 70 H PHE 833 HN PHE 833 -2.096 -6.753 -7.634 71 HA PHE 833 HA PHE 833 0.598 -5.923 -7.891 72 HB2 PHE 833 HB2 PHE 833 -1.228 -6.278 -5.762 73 HB3 PHE 833 HB1 PHE 833 0.157 -7.310 -5.406 74 HD1 PHE 833 HD1 PHE 833 2.420 -6.346 -5.229 75 HD2 PHE 833 HD2 PHE 833 -1.039 -3.893 -5.632 76 HE1 PHE 833 HE1 PHE 833 3.707 -4.400 -4.463 77 HE2 PHE 833 HE2 PHE 833 0.253 -1.950 -4.863 78 HZ PHE 833 HZ PHE 833 2.632 -2.199 -4.284 79 H LYS 834 HN LYS 834 -0.831 -9.037 -6.939 80 HA LYS 834 HA LYS 834 1.321 -10.645 -6.912 81 HB2 LYS 834 HB2 LYS 834 -1.496 -11.021 -7.520 82 HB3 LYS 834 HB1 LYS 834 -0.483 -12.184 -8.365 83 HG2 LYS 834 HG2 LYS 834 -0.621 -11.704 -5.391 84 HG3 LYS 834 HG1 LYS 834 -1.188 -13.127 -6.274 85 HD2 LYS 834 HD2 LYS 834 1.336 -13.184 -7.082 86 HD3 LYS 834 HD1 LYS 834 1.586 -12.285 -5.582 87 HE2 LYS 834 HE2 LYS 834 1.890 -14.601 -5.087 88 HE3 LYS 834 HE1 LYS 834 0.355 -14.093 -4.388 89 HZ1 LYS 834 HZ1 LYS 834 0.776 -15.683 -6.860 90 HZ2 LYS 834 HZ2 LYS 834 -0.727 -15.028 -6.426 91 HZ3 LYS 834 HZ3 LYS 834 0.014 -16.180 -5.427 92 H ILE 835 HN ILE 835 -0.416 -9.678 -9.917 93 HA ILE 835 HA ILE 835 1.377 -11.013 -11.638 94 HB ILE 835 HB ILE 835 -0.632 -8.794 -12.081 95 HG12 ILE 835 HG12 ILE 835 -0.703 -11.664 -13.016 96 HG13 ILE 835 HG11 ILE 835 -1.319 -11.180 -11.445 97 HG21 ILE 835 HG21 ILE 835 1.007 -10.308 -14.143 98 HG22 ILE 835 HG22 ILE 835 1.080 -8.580 -13.792 99 HG23 ILE 835 HG23 ILE 835 -0.377 -9.268 -14.509 100 HD11 ILE 835 HD11 ILE 835 -3.100 -11.345 -13.068 101 HD12 ILE 835 HD12 ILE 835 -2.296 -10.173 -14.104 102 HD13 ILE 835 HD13 ILE 835 -2.907 -9.684 -12.524 103 H LEU 836 HN LEU 836 1.335 -7.817 -10.216 104 HA LEU 836 HA LEU 836 3.203 -6.503 -11.827 105 HB2 LEU 836 HB2 LEU 836 1.708 -5.640 -9.882 106 HB3 LEU 836 HB1 LEU 836 3.047 -6.093 -8.855 107 HG LEU 836 HG LEU 836 4.431 -4.586 -10.514 108 HD11 LEU 836 HD11 LEU 836 1.649 -3.432 -10.711 109 HD12 LEU 836 HD12 LEU 836 2.547 -4.183 -12.030 110 HD13 LEU 836 HD13 LEU 836 3.131 -2.685 -11.307 111 HD21 LEU 836 HD21 LEU 836 4.190 -2.763 -8.980 112 HD22 LEU 836 HD22 LEU 836 4.078 -4.273 -8.065 113 HD23 LEU 836 HD23 LEU 836 2.619 -3.361 -8.448 114 H ALA 837 HN ALA 837 3.676 -8.402 -8.864 115 HA ALA 837 HA ALA 837 6.555 -8.222 -9.037 116 HB1 ALA 837 HB1 ALA 837 6.578 -9.577 -7.050 117 HB2 ALA 837 HB2 ALA 837 4.870 -9.982 -7.267 118 HB3 ALA 837 HB3 ALA 837 5.343 -8.323 -6.881 119 H GLY 838 HN GLY 838 4.065 -10.529 -9.919 120 HA2 GLY 838 HA2 GLY 838 4.444 -12.111 -11.683 121 HA3 GLY 838 HA1 GLY 838 6.139 -12.160 -11.226 122 H ASP 839 HN ASP 839 2.931 -12.800 -9.888 123 HA ASP 839 HA ASP 839 2.129 -14.321 -8.415 124 HB2 ASP 839 HB2 ASP 839 2.786 -15.744 -10.445 125 HB3 ASP 839 HB1 ASP 839 4.159 -16.278 -9.479 126 H LYS 840 HN LYS 840 4.076 -12.657 -7.336 127 HA LYS 840 HA LYS 840 5.299 -14.445 -5.347 128 HB2 LYS 840 HB2 LYS 840 6.317 -11.740 -6.276 129 HB3 LYS 840 HB1 LYS 840 7.054 -12.745 -5.038 130 HG2 LYS 840 HG2 LYS 840 7.642 -14.421 -6.616 131 HG3 LYS 840 HG1 LYS 840 6.675 -13.659 -7.870 132 HD2 LYS 840 HD2 LYS 840 8.207 -11.643 -7.610 133 HD3 LYS 840 HD1 LYS 840 9.259 -12.710 -6.679 134 HE2 LYS 840 HE2 LYS 840 9.338 -14.258 -8.593 135 HE3 LYS 840 HE1 LYS 840 8.353 -13.121 -9.521 136 HZ1 LYS 840 HZ1 LYS 840 10.092 -11.512 -9.416 137 HZ2 LYS 840 HZ2 LYS 840 10.768 -12.971 -9.950 138 HZ3 LYS 840 HZ3 LYS 840 10.999 -12.470 -8.351 139 H ASN 841 HN ASN 841 4.888 -14.039 -3.238 140 HA ASN 841 HA ASN 841 2.778 -12.163 -2.637 141 HB2 ASN 841 HB2 ASN 841 3.354 -14.595 -1.643 142 HB3 ASN 841 HB1 ASN 841 4.160 -13.606 -0.440 143 HD21 ASN 841 HD21 ASN 841 2.899 -12.176 0.829 144 HD22 ASN 841 HD22 ASN 841 1.201 -12.446 1.023 145 H TYR 842 HN TYR 842 5.983 -11.901 -2.978 146 HA TYR 842 HA TYR 842 6.123 -9.573 -1.191 147 HB2 TYR 842 HB2 TYR 842 8.677 -10.999 -1.722 148 HB3 TYR 842 HB1 TYR 842 8.126 -10.181 -0.265 149 HD1 TYR 842 HD1 TYR 842 8.788 -13.298 -1.749 150 HD2 TYR 842 HD2 TYR 842 6.228 -11.416 1.072 151 HE1 TYR 842 HE1 TYR 842 8.270 -15.492 -0.762 152 HE2 TYR 842 HE2 TYR 842 5.707 -13.600 2.073 153 HH TYR 842 HH TYR 842 6.498 -15.785 2.207 154 H ILE 843 HN ILE 843 7.285 -7.827 -2.057 155 HA ILE 843 HA ILE 843 8.178 -8.131 -4.836 156 HB ILE 843 HB ILE 843 5.868 -7.203 -4.836 157 HG12 ILE 843 HG12 ILE 843 7.994 -5.264 -5.783 158 HG13 ILE 843 HG11 ILE 843 7.447 -6.685 -6.663 159 HG21 ILE 843 HG21 ILE 843 5.530 -4.868 -4.078 160 HG22 ILE 843 HG22 ILE 843 7.129 -4.917 -3.350 161 HG23 ILE 843 HG23 ILE 843 5.869 -5.989 -2.763 162 HD11 ILE 843 HD11 ILE 843 5.820 -4.239 -6.012 163 HD12 ILE 843 HD12 ILE 843 5.189 -5.683 -6.800 164 HD13 ILE 843 HD13 ILE 843 6.430 -4.722 -7.586 165 H THR 844 HN THR 844 9.675 -6.528 -5.533 166 HA THR 844 HA THR 844 11.610 -5.895 -3.552 167 HB THR 844 HB THR 844 12.193 -4.411 -5.862 168 HG1 THR 844 HG1 THR 844 11.079 -6.969 -6.445 169 HG21 THR 844 HG21 THR 844 13.906 -6.130 -6.188 170 HG22 THR 844 HG22 THR 844 13.069 -7.187 -5.057 171 HG23 THR 844 HG23 THR 844 13.785 -5.678 -4.488 172 H MET 845 HN MET 845 12.115 -3.987 -2.620 173 HA MET 845 HA MET 845 10.010 -2.135 -2.159 174 HB2 MET 845 HB2 MET 845 11.780 -0.802 -0.965 175 HB3 MET 845 HB1 MET 845 11.560 -2.451 -0.405 176 HG2 MET 845 HG2 MET 845 13.514 -3.122 -1.757 177 HG3 MET 845 HG1 MET 845 13.774 -1.434 -2.176 178 HE1 MET 845 HE1 MET 845 12.643 -2.774 1.489 179 HE2 MET 845 HE2 MET 845 14.250 -3.277 2.013 180 HE3 MET 845 HE3 MET 845 13.500 -4.041 0.606 181 H ASP 846 HN ASP 846 12.944 -1.977 -4.146 182 HA ASP 846 HA ASP 846 12.422 0.736 -4.924 183 HB2 ASP 846 HB2 ASP 846 14.683 -0.637 -4.925 184 HB3 ASP 846 HB1 ASP 846 14.186 -1.047 -6.565 185 H GLU 847 HN GLU 847 11.533 -2.405 -6.180 186 HA GLU 847 HA GLU 847 10.817 -1.607 -8.794 187 HB2 GLU 847 HB2 GLU 847 10.648 -3.979 -7.214 188 HB3 GLU 847 HB1 GLU 847 9.081 -3.685 -7.940 189 HG2 GLU 847 HG2 GLU 847 11.623 -3.709 -9.535 190 HG3 GLU 847 HG1 GLU 847 10.671 -5.156 -9.227 191 H LEU 848 HN LEU 848 8.891 -1.937 -5.809 192 HA LEU 848 HA LEU 848 6.496 -1.006 -7.002 193 HB2 LEU 848 HB2 LEU 848 5.524 -1.134 -4.877 194 HB3 LEU 848 HB1 LEU 848 6.770 -2.361 -4.850 195 HG LEU 848 HG LEU 848 8.067 -0.141 -3.845 196 HD11 LEU 848 HD11 LEU 848 6.030 1.134 -3.669 197 HD12 LEU 848 HD12 LEU 848 6.574 0.673 -2.056 198 HD13 LEU 848 HD13 LEU 848 5.231 -0.188 -2.813 199 HD21 LEU 848 HD21 LEU 848 6.615 -2.247 -2.249 200 HD22 LEU 848 HD22 LEU 848 8.051 -1.340 -1.772 201 HD23 LEU 848 HD23 LEU 848 8.141 -2.509 -3.095 202 H ARG 849 HN ARG 849 9.254 0.560 -5.564 203 HA ARG 849 HA ARG 849 8.043 3.145 -5.301 204 HB2 ARG 849 HB2 ARG 849 10.030 2.476 -3.976 205 HB3 ARG 849 HB1 ARG 849 10.973 2.384 -5.454 206 HG2 ARG 849 HG2 ARG 849 11.045 4.682 -5.704 207 HG3 ARG 849 HG1 ARG 849 9.625 4.945 -4.693 208 HD2 ARG 849 HD2 ARG 849 11.756 5.604 -3.598 209 HD3 ARG 849 HD1 ARG 849 10.862 4.360 -2.716 210 HE ARG 849 HE ARG 849 12.988 3.512 -4.538 211 HH11 ARG 849 HH11 ARG 849 11.908 3.991 -1.228 212 HH12 ARG 849 HH12 ARG 849 13.153 2.984 -0.547 213 HH21 ARG 849 HH21 ARG 849 14.560 2.125 -3.672 214 HH22 ARG 849 HH22 ARG 849 14.660 1.919 -1.948 215 H ARG 850 HN ARG 850 9.287 1.303 -7.858 216 HA ARG 850 HA ARG 850 9.783 3.560 -9.596 217 HB2 ARG 850 HB2 ARG 850 10.373 0.724 -9.604 218 HB3 ARG 850 HB1 ARG 850 9.707 1.230 -11.147 219 HG2 ARG 850 HG2 ARG 850 12.127 1.347 -11.159 220 HG3 ARG 850 HG1 ARG 850 11.419 2.953 -11.344 221 HD2 ARG 850 HD2 ARG 850 12.077 2.018 -8.601 222 HD3 ARG 850 HD1 ARG 850 13.401 2.495 -9.662 223 HE ARG 850 HE ARG 850 11.420 4.477 -9.739 224 HH11 ARG 850 HH11 ARG 850 13.986 4.596 -6.658 225 HH12 ARG 850 HH12 ARG 850 13.775 3.120 -7.543 226 HH21 ARG 850 HH21 ARG 850 11.678 6.421 -8.585 227 HH22 ARG 850 HH22 ARG 850 12.782 6.485 -7.251 228 H GLU 851 HN GLU 851 7.279 1.358 -8.810 229 HA GLU 851 HA GLU 851 5.685 2.042 -11.152 230 HB2 GLU 851 HB2 GLU 851 5.205 0.198 -8.816 231 HB3 GLU 851 HB1 GLU 851 3.969 0.535 -10.021 232 HG2 GLU 851 HG2 GLU 851 6.621 -0.826 -10.404 233 HG3 GLU 851 HG1 GLU 851 5.011 -1.491 -10.651 234 H LEU 852 HN LEU 852 5.421 2.350 -7.621 235 HA LEU 852 HA LEU 852 3.231 4.265 -7.972 236 HB2 LEU 852 HB2 LEU 852 4.355 2.839 -5.558 237 HB3 LEU 852 HB1 LEU 852 3.111 4.067 -5.450 238 HG LEU 852 HG LEU 852 2.799 1.511 -7.023 239 HD11 LEU 852 HD11 LEU 852 2.974 0.809 -4.796 240 HD12 LEU 852 HD12 LEU 852 1.244 0.942 -5.089 241 HD13 LEU 852 HD13 LEU 852 2.085 2.207 -4.190 242 HD21 LEU 852 HD21 LEU 852 0.430 2.098 -6.987 243 HD22 LEU 852 HD22 LEU 852 1.379 3.351 -7.778 244 HD23 LEU 852 HD23 LEU 852 0.798 3.591 -6.128 245 HA PRO 853 HA PRO 853 5.769 7.802 -7.317 246 HB2 PRO 853 HB2 PRO 853 4.088 9.281 -5.677 247 HB3 PRO 853 HB1 PRO 853 3.988 9.234 -7.443 248 HG2 PRO 853 HG2 PRO 853 2.365 7.777 -5.414 249 HG3 PRO 853 HG1 PRO 853 1.879 8.460 -6.981 250 HD2 PRO 853 HD2 PRO 853 2.269 5.816 -6.635 251 HD3 PRO 853 HD1 PRO 853 2.631 6.636 -8.164 252 HA PRO 854 HA PRO 854 8.237 7.127 -3.713 253 HB2 PRO 854 HB2 PRO 854 8.039 10.100 -3.461 254 HB3 PRO 854 HB1 PRO 854 9.466 9.057 -3.357 255 HG2 PRO 854 HG2 PRO 854 8.927 10.449 -5.572 256 HG3 PRO 854 HG1 PRO 854 9.676 8.847 -5.625 257 HD2 PRO 854 HD2 PRO 854 6.968 9.657 -6.424 258 HD3 PRO 854 HD1 PRO 854 7.904 8.215 -6.886 259 H ASP 855 HN ASP 855 5.664 9.565 -3.390 260 HA ASP 855 HA ASP 855 5.467 9.582 -0.600 261 HB2 ASP 855 HB2 ASP 855 3.132 9.931 -2.487 262 HB3 ASP 855 HB1 ASP 855 3.352 10.657 -0.897 263 H GLN 856 HN GLN 856 3.569 7.731 -2.949 264 HA GLN 856 HA GLN 856 2.086 6.326 -0.940 265 HB2 GLN 856 HB2 GLN 856 2.109 6.509 -3.846 266 HB3 GLN 856 HB1 GLN 856 1.845 4.865 -3.280 267 HG2 GLN 856 HG2 GLN 856 -0.253 6.079 -3.663 268 HG3 GLN 856 HG1 GLN 856 -0.060 5.609 -1.971 269 HE21 GLN 856 HE21 GLN 856 -0.293 8.203 -4.212 270 HE22 GLN 856 HE22 GLN 856 -0.326 9.496 -3.063 271 H ALA 857 HN ALA 857 4.736 5.610 -3.110 272 HA ALA 857 HA ALA 857 5.177 2.940 -2.521 273 HB1 ALA 857 HB1 ALA 857 7.463 3.318 -3.327 274 HB2 ALA 857 HB2 ALA 857 7.181 5.062 -3.241 275 HB3 ALA 857 HB3 ALA 857 6.251 4.070 -4.367 276 H GLU 858 HN GLU 858 6.584 5.820 -0.913 277 HA GLU 858 HA GLU 858 8.186 4.296 0.863 278 HB2 GLU 858 HB2 GLU 858 7.172 7.143 0.975 279 HB3 GLU 858 HB1 GLU 858 8.076 6.440 2.308 280 HG2 GLU 858 HG2 GLU 858 9.075 6.642 -0.523 281 HG3 GLU 858 HG1 GLU 858 9.487 7.745 0.789 282 H TYR 859 HN TYR 859 4.896 5.612 1.136 283 HA TYR 859 HA TYR 859 4.427 4.787 3.780 284 HB2 TYR 859 HB2 TYR 859 2.902 6.325 2.659 285 HB3 TYR 859 HB1 TYR 859 2.477 5.086 1.484 286 HD1 TYR 859 HD1 TYR 859 2.534 5.422 5.232 287 HD2 TYR 859 HD2 TYR 859 0.421 4.098 1.774 288 HE1 TYR 859 HE1 TYR 859 0.662 4.704 6.653 289 HE2 TYR 859 HE2 TYR 859 -1.443 3.372 3.198 290 HH TYR 859 HH TYR 859 -1.814 4.299 6.397 291 H CYS 860 HN CYS 860 3.943 3.128 0.676 292 HA CYS 860 HA CYS 860 2.776 0.790 1.702 293 HB2 CYS 860 HB2 CYS 860 4.395 1.265 -0.814 294 HB3 CYS 860 HB1 CYS 860 3.622 -0.272 -0.433 295 HG CYS 860 HG CYS 860 1.017 0.899 -0.362 296 H ILE 861 HN ILE 861 6.162 1.589 0.999 297 HA ILE 861 HA ILE 861 7.326 -0.850 1.666 298 HB ILE 861 HB ILE 861 8.350 1.979 1.807 299 HG12 ILE 861 HG12 ILE 861 9.178 -0.351 0.053 300 HG13 ILE 861 HG11 ILE 861 7.959 0.836 -0.396 301 HG21 ILE 861 HG21 ILE 861 9.972 -0.498 2.406 302 HG22 ILE 861 HG22 ILE 861 9.491 0.725 3.573 303 HG23 ILE 861 HG23 ILE 861 10.591 1.142 2.261 304 HD11 ILE 861 HD11 ILE 861 10.224 1.240 -1.343 305 HD12 ILE 861 HD12 ILE 861 10.790 1.562 0.302 306 HD13 ILE 861 HD13 ILE 861 9.556 2.595 -0.428 307 H ALA 862 HN ALA 862 6.545 1.932 3.719 308 HA ALA 862 HA ALA 862 7.635 0.770 6.090 309 HB1 ALA 862 HB1 ALA 862 7.527 3.132 6.014 310 HB2 ALA 862 HB2 ALA 862 6.357 2.628 7.227 311 HB3 ALA 862 HB3 ALA 862 5.810 3.120 5.627 312 H ARG 863 HN ARG 863 4.476 0.744 4.564 313 HA ARG 863 HA ARG 863 3.135 -0.343 6.883 314 HB2 ARG 863 HB2 ARG 863 2.373 0.453 4.137 315 HB3 ARG 863 HB1 ARG 863 1.395 -0.807 4.871 316 HG2 ARG 863 HG2 ARG 863 1.924 1.829 6.202 317 HG3 ARG 863 HG1 ARG 863 0.562 1.552 5.126 318 HD2 ARG 863 HD2 ARG 863 0.253 -0.544 6.764 319 HD3 ARG 863 HD1 ARG 863 1.048 0.568 7.874 320 HE ARG 863 HE ARG 863 -1.092 1.835 6.489 321 HH11 ARG 863 HH11 ARG 863 -1.800 0.072 10.031 322 HH12 ARG 863 HH12 ARG 863 -0.358 -0.319 9.144 323 HH21 ARG 863 HH21 ARG 863 -3.012 2.344 7.656 324 HH22 ARG 863 HH22 ARG 863 -3.301 1.595 9.186 325 H MET 864 HN MET 864 5.080 -1.667 4.453 326 HA MET 864 HA MET 864 3.734 -4.196 4.267 327 HB2 MET 864 HB2 MET 864 6.419 -3.215 3.316 328 HB3 MET 864 HB1 MET 864 5.954 -4.908 3.179 329 HG2 MET 864 HG2 MET 864 3.988 -4.230 1.861 330 HG3 MET 864 HG1 MET 864 4.534 -2.552 1.947 331 HE1 MET 864 HE1 MET 864 3.775 -4.068 -0.623 332 HE2 MET 864 HE2 MET 864 5.091 -3.841 -1.775 333 HE3 MET 864 HE3 MET 864 4.467 -2.460 -0.865 334 H ALA 865 HN ALA 865 5.123 -6.236 4.725 335 HA ALA 865 HA ALA 865 6.335 -5.960 7.391 336 HB1 ALA 865 HB1 ALA 865 5.381 -8.268 7.816 337 HB2 ALA 865 HB2 ALA 865 4.387 -8.019 6.379 338 HB3 ALA 865 HB3 ALA 865 4.217 -6.943 7.767 339 HA PRO 866 HA PRO 866 9.927 -7.953 5.847 340 HB2 PRO 866 HB2 PRO 866 10.350 -9.840 7.864 341 HB3 PRO 866 HB1 PRO 866 10.913 -8.164 7.875 342 HG2 PRO 866 HG2 PRO 866 8.551 -9.364 9.207 343 HG3 PRO 866 HG1 PRO 866 9.616 -8.051 9.754 344 HD2 PRO 866 HD2 PRO 866 7.149 -7.579 8.780 345 HD3 PRO 866 HD1 PRO 866 8.505 -6.463 8.519 346 H TYR 867 HN TYR 867 9.006 -8.908 4.062 347 HA TYR 867 HA TYR 867 7.859 -10.516 2.852 348 HB2 TYR 867 HB2 TYR 867 9.747 -12.410 2.549 349 HB3 TYR 867 HB1 TYR 867 9.751 -10.863 1.742 350 HD1 TYR 867 HD1 TYR 867 10.818 -9.064 3.868 351 HD2 TYR 867 HD2 TYR 867 11.945 -13.025 2.753 352 HE1 TYR 867 HE1 TYR 867 13.091 -8.652 4.736 353 HE2 TYR 867 HE2 TYR 867 14.205 -12.617 3.643 354 HH TYR 867 HH TYR 867 15.694 -10.802 4.156 355 H THR 868 HN THR 868 9.562 -12.725 5.156 356 HA THR 868 HA THR 868 8.862 -14.573 6.180 357 HB THR 868 HB THR 868 6.155 -13.253 6.062 358 HG1 THR 868 HG1 THR 868 7.824 -12.070 7.163 359 HG21 THR 868 HG21 THR 868 5.679 -14.693 8.053 360 HG22 THR 868 HG22 THR 868 7.183 -15.554 7.732 361 HG23 THR 868 HG23 THR 868 5.874 -15.600 6.557 362 H GLY 869 HN GLY 869 9.142 -16.315 5.035 363 HA2 GLY 869 HA2 GLY 869 6.985 -17.712 3.893 364 HA3 GLY 869 HA1 GLY 869 7.928 -16.956 2.612 365 HA PRO 870 HA PRO 870 10.088 -20.906 3.592 366 HB2 PRO 870 HB2 PRO 870 9.872 -22.084 1.213 367 HB3 PRO 870 HB1 PRO 870 8.497 -22.071 2.341 368 HG2 PRO 870 HG2 PRO 870 8.964 -20.395 -0.081 369 HG3 PRO 870 HG1 PRO 870 7.454 -21.104 0.523 370 HD2 PRO 870 HD2 PRO 870 8.251 -18.471 0.903 371 HD3 PRO 870 HD1 PRO 870 7.036 -19.326 1.870 372 H ASP 871 HN ASP 871 10.684 -18.162 1.912 373 HA ASP 871 HA ASP 871 13.436 -18.823 1.438 374 HB2 ASP 871 HB2 ASP 871 12.375 -19.552 -0.678 375 HB3 ASP 871 HB1 ASP 871 11.751 -17.927 -0.905 376 H SER 872 HN SER 872 14.485 -17.192 2.251 377 HA SER 872 HA SER 872 13.312 -14.666 2.802 378 HB2 SER 872 HB2 SER 872 15.050 -15.655 4.225 379 HB3 SER 872 HB1 SER 872 16.200 -15.576 2.900 380 HG SER 872 HG SER 872 16.371 -13.448 3.129 381 H VAL 873 HN VAL 873 12.771 -13.407 1.139 382 HA VAL 873 HA VAL 873 14.555 -13.106 -1.128 383 HB VAL 873 HB VAL 873 12.634 -11.617 -1.968 384 HG11 VAL 873 HG11 VAL 873 12.967 -13.856 -2.802 385 HG12 VAL 873 HG12 VAL 873 11.241 -13.587 -2.541 386 HG13 VAL 873 HG13 VAL 873 12.175 -14.528 -1.379 387 HG21 VAL 873 HG21 VAL 873 11.278 -11.039 -0.211 388 HG22 VAL 873 HG22 VAL 873 11.527 -12.568 0.626 389 HG23 VAL 873 HG23 VAL 873 10.437 -12.488 -0.769 390 HA PRO 874 HA PRO 874 16.183 -9.479 1.098 391 HB2 PRO 874 HB2 PRO 874 18.223 -9.423 -0.973 392 HB3 PRO 874 HB1 PRO 874 18.412 -9.719 0.754 393 HG2 PRO 874 HG2 PRO 874 18.783 -11.643 -1.114 394 HG3 PRO 874 HG1 PRO 874 18.249 -11.971 0.543 395 HD2 PRO 874 HD2 PRO 874 16.653 -11.891 -1.977 396 HD3 PRO 874 HD1 PRO 874 16.494 -12.958 -0.568 397 H GLY 875 HN GLY 875 15.844 -7.350 0.756 398 HA2 GLY 875 HA2 GLY 875 15.423 -5.368 -0.349 399 HA3 GLY 875 HA1 GLY 875 15.843 -6.153 -1.865 400 H ALA 876 HN ALA 876 13.594 -8.020 -0.335 401 HA ALA 876 HA ALA 876 11.334 -6.635 -1.613 402 HB1 ALA 876 HB1 ALA 876 10.505 -8.734 -2.466 403 HB2 ALA 876 HB2 ALA 876 11.835 -9.608 -1.699 404 HB3 ALA 876 HB3 ALA 876 12.164 -8.501 -3.031 405 H LEU 877 HN LEU 877 9.444 -6.670 -0.456 406 HA LEU 877 HA LEU 877 9.466 -8.249 2.010 407 HB2 LEU 877 HB2 LEU 877 9.150 -5.342 1.695 408 HB3 LEU 877 HB1 LEU 877 7.958 -6.096 2.737 409 HG LEU 877 HG LEU 877 9.931 -7.163 3.971 410 HD11 LEU 877 HD11 LEU 877 11.508 -4.897 2.796 411 HD12 LEU 877 HD12 LEU 877 11.514 -6.498 2.065 412 HD13 LEU 877 HD13 LEU 877 12.074 -6.285 3.719 413 HD21 LEU 877 HD21 LEU 877 10.225 -5.240 5.381 414 HD22 LEU 877 HD22 LEU 877 8.546 -5.290 4.834 415 HD23 LEU 877 HD23 LEU 877 9.685 -4.157 4.097 416 H ASP 878 HN ASP 878 7.329 -8.574 2.968 417 HA ASP 878 HA ASP 878 5.523 -9.635 1.081 418 HB2 ASP 878 HB2 ASP 878 5.733 -10.514 3.375 419 HB3 ASP 878 HB1 ASP 878 5.056 -9.012 4.005 420 H TYR 879 HN TYR 879 4.134 -8.586 -0.160 421 HA TYR 879 HA TYR 879 3.375 -5.861 0.448 422 HB2 TYR 879 HB2 TYR 879 2.632 -5.702 -1.736 423 HB3 TYR 879 HB1 TYR 879 3.859 -6.954 -1.896 424 HD1 TYR 879 HD1 TYR 879 0.351 -6.128 -2.246 425 HD2 TYR 879 HD2 TYR 879 3.118 -9.355 -2.043 426 HE1 TYR 879 HE1 TYR 879 -1.330 -7.623 -3.217 427 HE2 TYR 879 HE2 TYR 879 1.431 -10.856 -3.025 428 HH TYR 879 HH TYR 879 -1.094 -10.950 -3.160 429 H MET 880 HN MET 880 1.951 -9.006 0.696 430 HA MET 880 HA MET 880 -0.773 -8.426 0.701 431 HB2 MET 880 HB2 MET 880 0.202 -10.693 0.654 432 HB3 MET 880 HB1 MET 880 0.675 -10.511 2.343 433 HG2 MET 880 HG2 MET 880 -1.659 -10.345 2.991 434 HG3 MET 880 HG1 MET 880 -2.150 -10.493 1.303 435 HE1 MET 880 HE1 MET 880 0.687 -12.521 3.335 436 HE2 MET 880 HE2 MET 880 -0.364 -13.819 3.930 437 HE3 MET 880 HE3 MET 880 -0.668 -12.153 4.411 438 H SER 881 HN SER 881 1.629 -7.932 3.143 439 HA SER 881 HA SER 881 -0.117 -7.603 5.337 440 HB2 SER 881 HB2 SER 881 2.665 -6.515 4.849 441 HB3 SER 881 HB1 SER 881 1.833 -6.504 6.408 442 HG SER 881 HG SER 881 2.549 -8.791 4.861 443 H PHE 882 HN PHE 882 0.983 -5.438 2.804 444 HA PHE 882 HA PHE 882 0.133 -3.013 4.029 445 HB2 PHE 882 HB2 PHE 882 1.709 -2.994 2.151 446 HB3 PHE 882 HB1 PHE 882 0.495 -3.699 1.097 447 HD1 PHE 882 HD1 PHE 882 1.533 -0.688 2.867 448 HD2 PHE 882 HD2 PHE 882 -1.294 -2.355 0.171 449 HE1 PHE 882 HE1 PHE 882 0.760 1.574 2.296 450 HE2 PHE 882 HE2 PHE 882 -2.077 -0.097 -0.416 451 HZ PHE 882 HZ PHE 882 -1.050 1.874 0.653 452 H SER 883 HN SER 883 -1.374 -5.215 1.701 453 HA SER 883 HA SER 883 -3.781 -3.769 1.406 454 HB2 SER 883 HB2 SER 883 -4.119 -6.627 1.065 455 HB3 SER 883 HB1 SER 883 -4.149 -5.345 -0.152 456 HG SER 883 HG SER 883 -2.441 -6.704 -0.618 457 H THR 884 HN THR 884 -2.645 -6.071 3.746 458 HA THR 884 HA THR 884 -5.214 -6.662 4.867 459 HB THR 884 HB THR 884 -2.453 -7.023 6.060 460 HG1 THR 884 HG1 THR 884 -2.528 -8.316 4.290 461 HG21 THR 884 HG21 THR 884 -3.676 -8.837 7.387 462 HG22 THR 884 HG22 THR 884 -5.176 -8.049 6.878 463 HG23 THR 884 HG23 THR 884 -3.993 -7.159 7.849 464 H ALA 885 HN ALA 885 -2.521 -4.519 5.691 465 HA ALA 885 HA ALA 885 -3.639 -3.446 8.039 466 HB1 ALA 885 HB1 ALA 885 -1.819 -1.895 6.248 467 HB2 ALA 885 HB2 ALA 885 -1.226 -3.285 7.130 468 HB3 ALA 885 HB3 ALA 885 -1.891 -1.905 8.004 469 H LEU 886 HN LEU 886 -3.848 -2.580 4.660 470 HA LEU 886 HA LEU 886 -5.311 -0.156 5.069 471 HB2 LEU 886 HB2 LEU 886 -3.844 -0.508 3.141 472 HB3 LEU 886 HB1 LEU 886 -4.863 -1.823 2.598 473 HG LEU 886 HG LEU 886 -6.724 -0.211 2.265 474 HD11 LEU 886 HD11 LEU 886 -4.668 1.949 2.641 475 HD12 LEU 886 HD12 LEU 886 -5.754 1.445 3.939 476 HD13 LEU 886 HD13 LEU 886 -6.413 2.110 2.445 477 HD21 LEU 886 HD21 LEU 886 -5.753 0.855 0.271 478 HD22 LEU 886 HD22 LEU 886 -5.332 -0.848 0.396 479 HD23 LEU 886 HD23 LEU 886 -4.148 0.380 0.815 480 H TYR 887 HN TYR 887 -6.130 -3.485 4.847 481 HA TYR 887 HA TYR 887 -8.802 -3.154 3.908 482 HB2 TYR 887 HB2 TYR 887 -7.295 -5.277 3.884 483 HB3 TYR 887 HB1 TYR 887 -7.895 -5.521 5.521 484 HD1 TYR 887 HD1 TYR 887 -10.266 -6.060 5.898 485 HD2 TYR 887 HD2 TYR 887 -8.708 -5.540 1.969 486 HE1 TYR 887 HE1 TYR 887 -12.283 -7.106 4.957 487 HE2 TYR 887 HE2 TYR 887 -10.717 -6.578 1.027 488 HH TYR 887 HH TYR 887 -13.495 -6.866 2.496 489 H GLY 888 HN GLY 888 -7.274 -3.352 7.066 490 HA2 GLY 888 HA2 GLY 888 -9.765 -3.470 8.501 491 HA3 GLY 888 HA1 GLY 888 -8.170 -3.285 9.196 492 H GLU 889 HN GLU 889 -11.071 -1.761 8.495 493 HA GLU 889 HA GLU 889 -9.956 0.944 8.569 494 HB2 GLU 889 HB2 GLU 889 -12.244 -0.188 7.366 495 HB3 GLU 889 HB1 GLU 889 -12.843 0.837 8.657 496 HG2 GLU 889 HG2 GLU 889 -11.011 2.470 7.506 497 HG3 GLU 889 HG1 GLU 889 -11.576 1.552 6.111 498 H SER 890 HN SER 890 -10.743 2.485 10.156 499 HA SER 890 HA SER 890 -11.238 1.152 12.737 500 HB2 SER 890 HB2 SER 890 -10.309 3.985 12.211 501 HB3 SER 890 HB1 SER 890 -10.350 3.153 13.765 502 HG SER 890 HG SER 890 -8.960 1.871 11.742 503 H ASP 891 HN ASP 891 -13.147 2.059 10.488 504 HA ASP 891 HA ASP 891 -15.257 2.862 12.267 505 HB2 ASP 891 HB2 ASP 891 -14.162 5.020 11.639 506 HB3 ASP 891 HB1 ASP 891 -14.515 4.670 9.952 507 H LEU 892 HN LEU 892 -14.842 0.537 10.895 508 HA LEU 892 HA LEU 892 -17.171 0.459 9.165 509 HB2 LEU 892 HB2 LEU 892 -15.374 0.912 7.580 510 HB3 LEU 892 HB1 LEU 892 -14.435 -0.418 8.228 511 HG LEU 892 HG LEU 892 -16.251 -1.967 7.425 512 HD11 LEU 892 HD11 LEU 892 -17.261 0.581 6.216 513 HD12 LEU 892 HD12 LEU 892 -18.144 -0.611 7.171 514 HD13 LEU 892 HD13 LEU 892 -17.632 -0.998 5.529 515 HD21 LEU 892 HD21 LEU 892 -14.116 -1.542 6.223 516 HD22 LEU 892 HD22 LEU 892 -14.957 -0.309 5.279 517 HD23 LEU 892 HD23 LEU 892 -15.458 -1.998 5.166 518 H1 GLY1646 HT1 GLY1646 -0.947 -5.152 -18.447 519 H2 GLY1646 HT2 GLY1646 -1.301 -3.609 -17.850 520 H3 GLY1646 HT3 GLY1646 -1.206 -4.925 -16.792 521 HA2 GLY1646 HA1 GLY1646 1.172 -5.179 -17.440 522 HA3 GLY1646 HA2 GLY1646 1.005 -3.648 -18.294 523 H LYS1647 HN LYS1647 2.850 -3.342 -16.661 524 HA LYS1647 HA LYS1647 2.412 -3.023 -13.929 525 HB2 LYS1647 HB2 LYS1647 4.299 -1.538 -15.772 526 HB3 LYS1647 HB1 LYS1647 4.367 -1.453 -14.020 527 HG2 LYS1647 HG2 LYS1647 4.627 -4.040 -15.528 528 HG3 LYS1647 HG1 LYS1647 6.009 -3.015 -15.140 529 HD2 LYS1647 HD2 LYS1647 4.768 -3.199 -12.720 530 HD3 LYS1647 HD1 LYS1647 4.392 -4.783 -13.417 531 HE2 LYS1647 HE2 LYS1647 6.426 -5.049 -12.247 532 HE3 LYS1647 HE1 LYS1647 6.868 -4.961 -13.950 533 HZ1 LYS1647 HZ1 LYS1647 7.993 -3.501 -11.985 534 HZ2 LYS1647 HZ2 LYS1647 6.846 -2.412 -12.604 535 HZ3 LYS1647 HZ3 LYS1647 8.007 -3.084 -13.624 536 H PHE1648 HN PHE1648 1.897 -0.803 -16.616 537 HA PHE1648 HA PHE1648 1.252 1.470 -15.037 538 HB2 PHE1648 HB2 PHE1648 0.787 0.759 -17.924 539 HB3 PHE1648 HB1 PHE1648 0.220 2.274 -17.243 540 HD1 PHE1648 HD1 PHE1648 2.204 3.434 -15.722 541 HD2 PHE1648 HD2 PHE1648 2.704 0.924 -19.121 542 HE1 PHE1648 HE1 PHE1648 4.406 4.441 -16.141 543 HE2 PHE1648 HE2 PHE1648 4.908 1.926 -19.544 544 HZ PHE1648 HZ PHE1648 5.761 3.684 -18.059 545 H TYR1649 HN TYR1649 -0.683 -1.161 -16.339 546 HA TYR1649 HA TYR1649 -3.201 0.105 -15.821 547 HB2 TYR1649 HB2 TYR1649 -2.919 -1.690 -17.511 548 HB3 TYR1649 HB1 TYR1649 -2.584 -2.831 -16.218 549 HD1 TYR1649 HD1 TYR1649 -4.351 -3.927 -15.117 550 HD2 TYR1649 HD2 TYR1649 -5.193 -0.572 -17.588 551 HE1 TYR1649 HE1 TYR1649 -6.758 -4.390 -14.911 552 HE2 TYR1649 HE2 TYR1649 -7.604 -1.025 -17.380 553 HH TYR1649 HH TYR1649 -9.125 -2.712 -16.813 554 H ALA1650 HN ALA1650 -1.157 -2.210 -14.135 555 HA ALA1650 HA ALA1650 -2.879 -2.816 -12.005 556 HB1 ALA1650 HB1 ALA1650 0.132 -2.708 -11.964 557 HB2 ALA1650 HB2 ALA1650 -0.818 -4.073 -12.540 558 HB3 ALA1650 HB3 ALA1650 -0.899 -3.593 -10.845 559 H THR1651 HN THR1651 -0.411 -0.286 -12.353 560 HA THR1651 HA THR1651 -0.720 0.791 -9.755 561 HB THR1651 HB THR1651 0.212 2.918 -11.054 562 HG1 THR1651 HG1 THR1651 1.421 1.136 -12.760 563 HG21 THR1651 HG21 THR1651 2.416 2.184 -10.584 564 HG22 THR1651 HG22 THR1651 1.971 0.483 -10.800 565 HG23 THR1651 HG23 THR1651 1.382 1.379 -9.394 566 H PHE1652 HN PHE1652 -2.241 1.471 -12.854 567 HA PHE1652 HA PHE1652 -3.671 3.771 -12.223 568 HB2 PHE1652 HB2 PHE1652 -3.569 3.073 -14.502 569 HB3 PHE1652 HB1 PHE1652 -4.224 1.483 -14.117 570 HD1 PHE1652 HD1 PHE1652 -5.181 5.091 -14.017 571 HD2 PHE1652 HD2 PHE1652 -6.439 1.063 -14.546 572 HE1 PHE1652 HE1 PHE1652 -7.424 5.878 -14.648 573 HE2 PHE1652 HE2 PHE1652 -8.690 1.842 -15.170 574 HZ PHE1652 HZ PHE1652 -9.181 4.244 -15.223 575 H LEU1653 HN LEU1653 -4.508 0.365 -11.802 576 HA LEU1653 HA LEU1653 -7.109 0.749 -10.774 577 HB2 LEU1653 HB2 LEU1653 -5.150 -1.503 -10.333 578 HB3 LEU1653 HB1 LEU1653 -6.840 -1.545 -9.862 579 HG LEU1653 HG LEU1653 -5.807 -1.313 -12.689 580 HD11 LEU1653 HD11 LEU1653 -7.218 -3.608 -11.323 581 HD12 LEU1653 HD12 LEU1653 -5.480 -3.528 -11.610 582 HD13 LEU1653 HD13 LEU1653 -6.594 -3.568 -12.967 583 HD21 LEU1653 HD21 LEU1653 -7.880 -0.152 -12.522 584 HD22 LEU1653 HD22 LEU1653 -8.600 -1.451 -11.575 585 HD23 LEU1653 HD23 LEU1653 -8.206 -1.712 -13.271 586 H ILE1654 HN ILE1654 -3.949 0.660 -9.252 587 HA ILE1654 HA ILE1654 -4.816 0.524 -6.569 588 HB ILE1654 HB ILE1654 -2.329 1.859 -7.629 589 HG12 ILE1654 HG12 ILE1654 -2.853 -1.000 -6.790 590 HG13 ILE1654 HG11 ILE1654 -2.374 -0.428 -8.390 591 HG21 ILE1654 HG21 ILE1654 -2.878 0.753 -4.891 592 HG22 ILE1654 HG22 ILE1654 -2.954 2.459 -5.316 593 HG23 ILE1654 HG23 ILE1654 -1.426 1.591 -5.424 594 HD11 ILE1654 HD11 ILE1654 -0.193 0.103 -7.637 595 HD12 ILE1654 HD12 ILE1654 -0.568 -1.512 -7.036 596 HD13 ILE1654 HD13 ILE1654 -0.650 -0.126 -5.955 597 H GLN1655 HN GLN1655 -3.990 3.251 -8.663 598 HA GLN1655 HA GLN1655 -4.462 5.281 -6.773 599 HB2 GLN1655 HB2 GLN1655 -4.552 5.343 -9.780 600 HB3 GLN1655 HB1 GLN1655 -4.618 6.766 -8.762 601 HG2 GLN1655 HG2 GLN1655 -2.415 6.222 -7.860 602 HG3 GLN1655 HG1 GLN1655 -2.344 4.820 -8.930 603 HE21 GLN1655 HE21 GLN1655 -2.283 8.287 -8.726 604 HE22 GLN1655 HE22 GLN1655 -1.689 8.559 -10.332 605 H GLU1656 HN GLU1656 -6.541 3.788 -9.220 606 HA GLU1656 HA GLU1656 -8.742 5.481 -8.840 607 HB2 GLU1656 HB2 GLU1656 -8.340 3.755 -10.708 608 HB3 GLU1656 HB1 GLU1656 -9.004 2.588 -9.574 609 HG2 GLU1656 HG2 GLU1656 -10.676 3.438 -11.158 610 HG3 GLU1656 HG1 GLU1656 -11.088 3.783 -9.470 611 H TYR1657 HN TYR1657 -7.810 2.460 -7.247 612 HA TYR1657 HA TYR1657 -10.117 2.137 -5.682 613 HB2 TYR1657 HB2 TYR1657 -8.493 0.339 -5.951 614 HB3 TYR1657 HB1 TYR1657 -7.253 1.300 -5.147 615 HD1 TYR1657 HD1 TYR1657 -6.718 0.504 -3.066 616 HD2 TYR1657 HD2 TYR1657 -10.782 0.280 -4.308 617 HE1 TYR1657 HE1 TYR1657 -7.306 -0.524 -0.924 618 HE2 TYR1657 HE2 TYR1657 -11.384 -0.755 -2.153 619 HH TYR1657 HH TYR1657 -9.388 -0.725 0.512 620 H PHE1658 HN PHE1658 -7.058 3.775 -5.013 621 HA PHE1658 HA PHE1658 -7.650 4.611 -2.371 622 HB2 PHE1658 HB2 PHE1658 -5.647 5.271 -4.424 623 HB3 PHE1658 HB1 PHE1658 -6.006 6.587 -3.321 624 HD1 PHE1658 HD1 PHE1658 -4.928 3.051 -3.458 625 HD2 PHE1658 HD2 PHE1658 -5.085 6.643 -1.184 626 HE1 PHE1658 HE1 PHE1658 -3.381 2.065 -1.813 627 HE2 PHE1658 HE2 PHE1658 -3.551 5.671 0.471 628 HZ PHE1658 HZ PHE1658 -2.692 3.382 0.152 629 H ARG1659 HN ARG1659 -8.073 6.087 -5.514 630 HA ARG1659 HA ARG1659 -9.069 8.573 -4.751 631 HB2 ARG1659 HB2 ARG1659 -8.318 7.683 -7.058 632 HB3 ARG1659 HB1 ARG1659 -9.968 7.086 -7.209 633 HG2 ARG1659 HG2 ARG1659 -10.858 9.159 -7.451 634 HG3 ARG1659 HG1 ARG1659 -9.606 9.932 -6.477 635 HD2 ARG1659 HD2 ARG1659 -9.554 10.453 -8.941 636 HD3 ARG1659 HD1 ARG1659 -8.050 9.868 -8.250 637 HE ARG1659 HE ARG1659 -9.737 7.858 -9.499 638 HH11 ARG1659 HH11 ARG1659 -6.362 9.266 -11.171 639 HH12 ARG1659 HH12 ARG1659 -7.048 10.073 -9.800 640 HH21 ARG1659 HH21 ARG1659 -7.378 7.385 -12.045 641 HH22 ARG1659 HH22 ARG1659 -8.852 6.787 -11.338 642 H LYS1660 HN LYS1660 -10.932 5.688 -5.792 643 HA LYS1660 HA LYS1660 -13.440 6.858 -5.145 644 HB2 LYS1660 HB2 LYS1660 -14.422 4.759 -5.682 645 HB3 LYS1660 HB1 LYS1660 -13.086 4.981 -6.790 646 HG2 LYS1660 HG2 LYS1660 -11.774 3.371 -5.709 647 HG3 LYS1660 HG1 LYS1660 -12.789 3.393 -4.259 648 HD2 LYS1660 HD2 LYS1660 -13.167 1.363 -5.559 649 HD3 LYS1660 HD1 LYS1660 -14.623 2.363 -5.532 650 HE2 LYS1660 HE2 LYS1660 -14.159 3.164 -7.765 651 HE3 LYS1660 HE1 LYS1660 -12.619 2.312 -7.794 652 HZ1 LYS1660 HZ1 LYS1660 -15.299 1.034 -7.663 653 HZ2 LYS1660 HZ2 LYS1660 -13.824 0.208 -7.675 654 HZ3 LYS1660 HZ3 LYS1660 -14.301 1.105 -9.020 655 H PHE1661 HN PHE1661 -11.105 5.130 -3.242 656 HA PHE1661 HA PHE1661 -12.806 4.208 -1.195 657 HB2 PHE1661 HB2 PHE1661 -10.340 3.616 -1.611 658 HB3 PHE1661 HB1 PHE1661 -9.964 5.091 -0.724 659 HD1 PHE1661 HD1 PHE1661 -11.429 1.732 -0.499 660 HD2 PHE1661 HD2 PHE1661 -10.237 5.208 1.644 661 HE1 PHE1661 HE1 PHE1661 -11.626 0.492 1.622 662 HE2 PHE1661 HE2 PHE1661 -10.443 3.976 3.775 663 HZ PHE1661 HZ PHE1661 -11.136 1.619 3.754 664 H LYS1662 HN LYS1662 -11.086 7.252 -1.669 665 HA LYS1662 HA LYS1662 -11.646 8.432 0.806 666 HB2 LYS1662 HB2 LYS1662 -11.253 9.641 -1.925 667 HB3 LYS1662 HB1 LYS1662 -11.448 10.615 -0.476 668 HG2 LYS1662 HG2 LYS1662 -9.464 9.601 0.496 669 HG3 LYS1662 HG1 LYS1662 -9.277 8.581 -0.928 670 HD2 LYS1662 HD2 LYS1662 -9.050 10.620 -2.302 671 HD3 LYS1662 HD1 LYS1662 -9.132 11.594 -0.837 672 HE2 LYS1662 HE2 LYS1662 -7.130 9.409 -0.972 673 HE3 LYS1662 HE1 LYS1662 -6.816 10.870 -1.906 674 HZ1 LYS1662 HZ1 LYS1662 -7.344 10.783 1.015 675 HZ2 LYS1662 HZ2 LYS1662 -6.999 12.170 0.114 676 HZ3 LYS1662 HZ3 LYS1662 -5.832 10.971 0.299 677 H LYS1663 HN LYS1663 -13.452 8.557 -2.238 678 HA LYS1663 HA LYS1663 -15.552 10.185 -1.307 679 HB2 LYS1663 HB2 LYS1663 -15.298 8.256 -3.589 680 HB3 LYS1663 HB1 LYS1663 -16.816 9.074 -3.267 681 HG2 LYS1663 HG2 LYS1663 -15.954 10.540 -4.752 682 HG3 LYS1663 HG1 LYS1663 -15.229 11.194 -3.291 683 HD2 LYS1663 HD2 LYS1663 -13.157 10.094 -3.721 684 HD3 LYS1663 HD1 LYS1663 -13.865 9.187 -5.062 685 HE2 LYS1663 HE2 LYS1663 -12.540 10.985 -5.950 686 HE3 LYS1663 HE1 LYS1663 -14.245 11.315 -6.260 687 HZ1 LYS1663 HZ1 LYS1663 -12.702 13.163 -5.333 688 HZ2 LYS1663 HZ2 LYS1663 -12.987 12.418 -3.847 689 HZ3 LYS1663 HZ3 LYS1663 -14.281 13.020 -4.750 690 H ARG1664 HN ARG1664 -15.096 6.707 -1.379 691 HA ARG1664 HA ARG1664 -17.676 5.906 -0.637 692 HB2 ARG1664 HB2 ARG1664 -15.572 4.561 -1.420 693 HB3 ARG1664 HB1 ARG1664 -15.237 4.442 0.303 694 HG2 ARG1664 HG2 ARG1664 -17.912 3.667 -0.792 695 HG3 ARG1664 HG1 ARG1664 -16.546 2.556 -0.876 696 HD2 ARG1664 HD2 ARG1664 -17.631 3.820 1.624 697 HD3 ARG1664 HD1 ARG1664 -17.903 2.159 1.117 698 HE ARG1664 HE ARG1664 -15.291 2.149 1.201 699 HH11 ARG1664 HH11 ARG1664 -16.486 3.448 4.804 700 HH12 ARG1664 HH12 ARG1664 -17.549 3.609 3.434 701 HH21 ARG1664 HH21 ARG1664 -13.874 1.969 2.958 702 HH22 ARG1664 HH22 ARG1664 -14.374 2.508 4.539 703 H LYS1665 HN LYS1665 -14.850 6.787 1.261 704 HA LYS1665 HA LYS1665 -15.992 6.190 3.782 705 HB2 LYS1665 HB2 LYS1665 -13.550 6.411 3.327 706 HB3 LYS1665 HB1 LYS1665 -13.776 8.147 3.159 707 HG2 LYS1665 HG2 LYS1665 -12.948 7.734 5.341 708 HG3 LYS1665 HG1 LYS1665 -14.645 8.189 5.495 709 HD2 LYS1665 HD2 LYS1665 -15.085 5.637 5.445 710 HD3 LYS1665 HD1 LYS1665 -13.372 5.499 5.835 711 HE2 LYS1665 HE2 LYS1665 -13.639 6.551 7.892 712 HE3 LYS1665 HE1 LYS1665 -15.163 7.298 7.420 713 HZ1 LYS1665 HZ1 LYS1665 -14.647 4.474 8.135 714 HZ2 LYS1665 HZ2 LYS1665 -16.062 4.956 7.329 715 HZ3 LYS1665 HZ3 LYS1665 -15.725 5.565 8.877 716 H GLU1666 HN GLU1666 -15.988 9.061 1.742 717 HA GLU1666 HA GLU1666 -16.986 10.865 3.715 718 HB2 GLU1666 HB2 GLU1666 -17.230 11.016 0.699 719 HB3 GLU1666 HB1 GLU1666 -17.502 12.339 1.826 720 HG2 GLU1666 HG2 GLU1666 -15.181 12.232 2.532 721 HG3 GLU1666 HG1 GLU1666 -14.903 10.893 1.425 722 H GLN1667 HN GLN1667 -18.406 8.452 1.737 723 HA GLN1667 HA GLN1667 -21.107 9.463 2.107 724 HB2 GLN1667 HB2 GLN1667 -20.059 6.978 0.735 725 HB3 GLN1667 HB1 GLN1667 -21.757 7.447 0.811 726 HG2 GLN1667 HG2 GLN1667 -19.545 9.017 -0.487 727 HG3 GLN1667 HG1 GLN1667 -20.765 8.054 -1.322 728 HE21 GLN1667 HE21 GLN1667 -22.875 8.821 -1.445 729 HE22 GLN1667 HE22 GLN1667 -23.278 10.461 -1.076 730 H GLY1668 HN GLY1668 -19.369 6.417 2.819 731 HA2 GLY1668 HA2 GLY1668 -19.695 6.002 5.383 732 HA3 GLY1668 HA1 GLY1668 -21.361 5.848 4.875 Start of MODEL 2 1 H1 ASP 822 HT1 ASP 822 -13.456 -10.339 -3.966 2 H2 ASP 822 HT2 ASP 822 -13.815 -8.715 -3.638 3 H3 ASP 822 HT3 ASP 822 -13.249 -9.167 -5.171 4 HA ASP 822 HA ASP 822 -15.218 -10.385 -5.631 5 HB2 ASP 822 HB2 ASP 822 -15.504 -11.119 -3.257 6 HB3 ASP 822 HB1 ASP 822 -16.195 -9.538 -2.899 7 H THR 823 HN THR 823 -16.861 -8.114 -3.594 8 HA THR 823 HA THR 823 -17.476 -6.467 -5.920 9 HB THR 823 HB THR 823 -18.769 -5.494 -3.581 10 HG1 THR 823 HG1 THR 823 -18.788 -8.352 -3.880 11 HG21 THR 823 HG21 THR 823 -19.959 -7.272 -5.699 12 HG22 THR 823 HG22 THR 823 -19.537 -5.586 -5.999 13 HG23 THR 823 HG23 THR 823 -20.746 -5.989 -4.780 14 H ASP 824 HN ASP 824 -15.009 -6.474 -3.998 15 HA ASP 824 HA ASP 824 -15.012 -3.651 -3.272 16 HB2 ASP 824 HB2 ASP 824 -12.967 -4.303 -1.996 17 HB3 ASP 824 HB1 ASP 824 -14.413 -5.186 -1.512 18 H THR 825 HN THR 825 -12.238 -3.348 -3.237 19 HA THR 825 HA THR 825 -11.423 -3.654 -6.045 20 HB THR 825 HB THR 825 -10.713 -1.135 -4.590 21 HG1 THR 825 HG1 THR 825 -13.242 -1.750 -5.757 22 HG21 THR 825 HG21 THR 825 -11.155 -1.882 -7.489 23 HG22 THR 825 HG22 THR 825 -9.627 -1.480 -6.705 24 HG23 THR 825 HG23 THR 825 -10.855 -0.235 -6.938 25 H ALA 826 HN ALA 826 -10.883 -4.694 -3.177 26 HA ALA 826 HA ALA 826 -8.032 -4.089 -2.902 27 HB1 ALA 826 HB1 ALA 826 -10.007 -5.589 -1.208 28 HB2 ALA 826 HB2 ALA 826 -9.112 -4.120 -0.817 29 HB3 ALA 826 HB3 ALA 826 -8.272 -5.668 -0.911 30 H ASP 827 HN ASP 827 -10.190 -6.885 -3.348 31 HA ASP 827 HA ASP 827 -8.107 -8.753 -3.771 32 HB2 ASP 827 HB2 ASP 827 -9.788 -10.249 -3.905 33 HB3 ASP 827 HB1 ASP 827 -10.870 -8.901 -3.600 34 H GLN 828 HN GLN 828 -9.649 -6.385 -5.747 35 HA GLN 828 HA GLN 828 -8.744 -7.299 -8.267 36 HB2 GLN 828 HB2 GLN 828 -9.520 -4.533 -7.295 37 HB3 GLN 828 HB1 GLN 828 -9.174 -4.920 -8.977 38 HG2 GLN 828 HG2 GLN 828 -11.430 -5.978 -7.282 39 HG3 GLN 828 HG1 GLN 828 -11.542 -4.892 -8.665 40 HE21 GLN 828 HE21 GLN 828 -11.386 -8.121 -7.593 41 HE22 GLN 828 HE22 GLN 828 -11.426 -8.882 -9.152 42 H VAL 829 HN VAL 829 -7.625 -4.687 -6.170 43 HA VAL 829 HA VAL 829 -5.233 -4.090 -7.470 44 HB VAL 829 HB VAL 829 -6.196 -3.764 -4.641 45 HG11 VAL 829 HG11 VAL 829 -4.205 -2.671 -3.946 46 HG12 VAL 829 HG12 VAL 829 -3.506 -2.760 -5.564 47 HG13 VAL 829 HG13 VAL 829 -3.717 -4.229 -4.611 48 HG21 VAL 829 HG21 VAL 829 -5.891 -1.347 -5.276 49 HG22 VAL 829 HG22 VAL 829 -7.105 -2.227 -6.210 50 HG23 VAL 829 HG23 VAL 829 -5.516 -1.906 -6.904 51 H MET 830 HN MET 830 -5.955 -6.505 -5.011 52 HA MET 830 HA MET 830 -3.319 -7.292 -4.448 53 HB2 MET 830 HB2 MET 830 -6.013 -8.534 -4.102 54 HB3 MET 830 HB1 MET 830 -4.592 -9.554 -3.914 55 HG2 MET 830 HG2 MET 830 -5.097 -7.002 -2.418 56 HG3 MET 830 HG1 MET 830 -5.419 -8.621 -1.802 57 HE1 MET 830 HE1 MET 830 -2.600 -10.076 -3.160 58 HE2 MET 830 HE2 MET 830 -3.598 -10.462 -1.759 59 HE3 MET 830 HE3 MET 830 -1.870 -10.165 -1.555 60 H ALA 831 HN ALA 831 -5.669 -8.532 -6.831 61 HA ALA 831 HA ALA 831 -4.037 -10.570 -7.892 62 HB1 ALA 831 HB1 ALA 831 -6.235 -10.794 -8.537 63 HB2 ALA 831 HB2 ALA 831 -5.554 -10.049 -9.988 64 HB3 ALA 831 HB3 ALA 831 -6.437 -9.064 -8.820 65 H SER 832 HN SER 832 -4.549 -7.202 -8.877 66 HA SER 832 HA SER 832 -2.792 -7.224 -11.069 67 HB2 SER 832 HB2 SER 832 -3.527 -4.905 -9.257 68 HB3 SER 832 HB1 SER 832 -2.913 -4.791 -10.910 69 HG SER 832 HG SER 832 -4.978 -6.372 -11.069 70 H PHE 833 HN PHE 833 -2.299 -6.494 -7.635 71 HA PHE 833 HA PHE 833 0.422 -5.789 -7.783 72 HB2 PHE 833 HB2 PHE 833 -1.482 -6.210 -5.725 73 HB3 PHE 833 HB1 PHE 833 -0.120 -7.271 -5.378 74 HD1 PHE 833 HD1 PHE 833 2.239 -5.985 -5.915 75 HD2 PHE 833 HD2 PHE 833 -1.402 -4.193 -4.628 76 HE1 PHE 833 HE1 PHE 833 3.511 -4.070 -4.994 77 HE2 PHE 833 HE2 PHE 833 -0.150 -2.279 -3.719 78 HZ PHE 833 HZ PHE 833 2.306 -2.219 -3.901 79 H LYS 834 HN LYS 834 -1.088 -8.878 -6.948 80 HA LYS 834 HA LYS 834 0.978 -10.592 -6.902 81 HB2 LYS 834 HB2 LYS 834 -1.678 -10.914 -6.952 82 HB3 LYS 834 HB1 LYS 834 -1.325 -11.416 -8.596 83 HG2 LYS 834 HG2 LYS 834 -0.179 -13.281 -7.949 84 HG3 LYS 834 HG1 LYS 834 0.252 -12.595 -6.380 85 HD2 LYS 834 HD2 LYS 834 -2.125 -12.788 -5.696 86 HD3 LYS 834 HD1 LYS 834 -2.467 -13.566 -7.243 87 HE2 LYS 834 HE2 LYS 834 -0.311 -14.694 -5.517 88 HE3 LYS 834 HE1 LYS 834 -1.993 -14.988 -5.090 89 HZ1 LYS 834 HZ1 LYS 834 -0.573 -15.798 -7.566 90 HZ2 LYS 834 HZ2 LYS 834 -2.262 -15.793 -7.458 91 HZ3 LYS 834 HZ3 LYS 834 -1.354 -16.782 -6.434 92 H ILE 835 HN ILE 835 -0.650 -9.536 -9.934 93 HA ILE 835 HA ILE 835 0.972 -10.963 -11.689 94 HB ILE 835 HB ILE 835 -0.783 -8.530 -11.926 95 HG12 ILE 835 HG12 ILE 835 -0.998 -11.293 -13.126 96 HG13 ILE 835 HG11 ILE 835 -1.746 -10.810 -11.607 97 HG21 ILE 835 HG21 ILE 835 0.745 -9.840 -14.178 98 HG22 ILE 835 HG22 ILE 835 0.991 -8.207 -13.559 99 HG23 ILE 835 HG23 ILE 835 -0.522 -8.627 -14.361 100 HD11 ILE 835 HD11 ILE 835 -2.404 -9.942 -14.388 101 HD12 ILE 835 HD12 ILE 835 -2.877 -8.974 -12.990 102 HD13 ILE 835 HD13 ILE 835 -3.449 -10.635 -13.147 103 H LEU 836 HN LEU 836 1.313 -7.766 -10.244 104 HA LEU 836 HA LEU 836 3.445 -6.913 -11.936 105 HB2 LEU 836 HB2 LEU 836 2.024 -5.915 -9.599 106 HB3 LEU 836 HB1 LEU 836 3.726 -5.496 -9.592 107 HG LEU 836 HG LEU 836 3.483 -4.439 -11.800 108 HD11 LEU 836 HD11 LEU 836 1.564 -5.865 -12.546 109 HD12 LEU 836 HD12 LEU 836 1.351 -4.140 -12.844 110 HD13 LEU 836 HD13 LEU 836 0.525 -4.909 -11.491 111 HD21 LEU 836 HD21 LEU 836 2.085 -2.536 -11.057 112 HD22 LEU 836 HD22 LEU 836 3.264 -3.052 -9.850 113 HD23 LEU 836 HD23 LEU 836 1.567 -3.504 -9.679 114 H ALA 837 HN ALA 837 3.301 -8.483 -8.799 115 HA ALA 837 HA ALA 837 6.158 -8.301 -8.431 116 HB1 ALA 837 HB1 ALA 837 5.648 -9.667 -6.371 117 HB2 ALA 837 HB2 ALA 837 3.948 -9.558 -6.825 118 HB3 ALA 837 HB3 ALA 837 4.863 -8.094 -6.473 119 H GLY 838 HN GLY 838 4.132 -10.342 -10.160 120 HA2 GLY 838 HA2 GLY 838 4.676 -12.213 -11.428 121 HA3 GLY 838 HA1 GLY 838 6.263 -12.226 -10.675 122 H ASP 839 HN ASP 839 2.948 -12.518 -9.477 123 HA ASP 839 HA ASP 839 1.859 -14.024 -8.217 124 HB2 ASP 839 HB2 ASP 839 2.839 -15.644 -9.968 125 HB3 ASP 839 HB1 ASP 839 3.960 -16.118 -8.696 126 H LYS 840 HN LYS 840 5.119 -13.275 -7.499 127 HA LYS 840 HA LYS 840 5.424 -14.619 -5.026 128 HB2 LYS 840 HB2 LYS 840 6.745 -12.255 -6.299 129 HB3 LYS 840 HB1 LYS 840 6.978 -12.520 -4.577 130 HG2 LYS 840 HG2 LYS 840 7.925 -14.686 -4.985 131 HG3 LYS 840 HG1 LYS 840 7.564 -14.553 -6.710 132 HD2 LYS 840 HD2 LYS 840 9.312 -12.524 -5.330 133 HD3 LYS 840 HD1 LYS 840 9.971 -14.050 -5.924 134 HE2 LYS 840 HE2 LYS 840 9.231 -13.557 -8.159 135 HE3 LYS 840 HE1 LYS 840 8.427 -12.088 -7.612 136 HZ1 LYS 840 HZ1 LYS 840 10.711 -11.359 -6.862 137 HZ2 LYS 840 HZ2 LYS 840 10.450 -11.405 -8.530 138 HZ3 LYS 840 HZ3 LYS 840 11.326 -12.641 -7.780 139 H ASN 841 HN ASN 841 4.819 -14.094 -2.992 140 HA ASN 841 HA ASN 841 2.757 -12.142 -2.687 141 HB2 ASN 841 HB2 ASN 841 3.386 -14.442 -1.383 142 HB3 ASN 841 HB1 ASN 841 3.969 -13.240 -0.237 143 HD21 ASN 841 HD21 ASN 841 2.533 -12.232 1.050 144 HD22 ASN 841 HD22 ASN 841 0.811 -12.391 0.910 145 H TYR 842 HN TYR 842 6.076 -12.023 -2.633 146 HA TYR 842 HA TYR 842 6.085 -9.491 -1.150 147 HB2 TYR 842 HB2 TYR 842 8.731 -10.351 -1.350 148 HB3 TYR 842 HB1 TYR 842 7.724 -10.406 0.091 149 HD1 TYR 842 HD1 TYR 842 9.194 -12.340 -2.626 150 HD2 TYR 842 HD2 TYR 842 6.709 -12.483 0.804 151 HE1 TYR 842 HE1 TYR 842 9.401 -14.782 -2.611 152 HE2 TYR 842 HE2 TYR 842 6.904 -14.937 0.844 153 HH TYR 842 HH TYR 842 9.230 -16.625 -0.845 154 H ILE 843 HN ILE 843 6.861 -7.711 -2.201 155 HA ILE 843 HA ILE 843 7.845 -8.112 -4.958 156 HB ILE 843 HB ILE 843 5.571 -7.018 -4.760 157 HG12 ILE 843 HG12 ILE 843 7.690 -5.230 -5.959 158 HG13 ILE 843 HG11 ILE 843 7.174 -6.745 -6.687 159 HG21 ILE 843 HG21 ILE 843 5.462 -4.669 -4.053 160 HG22 ILE 843 HG22 ILE 843 7.165 -4.724 -3.599 161 HG23 ILE 843 HG23 ILE 843 5.990 -5.705 -2.728 162 HD11 ILE 843 HD11 ILE 843 5.277 -4.504 -6.096 163 HD12 ILE 843 HD12 ILE 843 5.020 -5.911 -7.127 164 HD13 ILE 843 HD13 ILE 843 6.152 -4.651 -7.617 165 H THR 844 HN THR 844 9.413 -6.534 -5.715 166 HA THR 844 HA THR 844 11.421 -6.083 -3.787 167 HB THR 844 HB THR 844 11.855 -4.494 -6.125 168 HG1 THR 844 HG1 THR 844 11.536 -6.067 -7.714 169 HG21 THR 844 HG21 THR 844 13.697 -6.100 -6.422 170 HG22 THR 844 HG22 THR 844 12.973 -7.127 -5.191 171 HG23 THR 844 HG23 THR 844 13.583 -5.535 -4.755 172 H MET 845 HN MET 845 12.055 -4.299 -2.763 173 HA MET 845 HA MET 845 10.218 -2.332 -2.073 174 HB2 MET 845 HB2 MET 845 12.067 -2.922 -0.647 175 HB3 MET 845 HB1 MET 845 13.229 -2.411 -1.864 176 HG2 MET 845 HG2 MET 845 12.372 -0.092 -1.627 177 HG3 MET 845 HG1 MET 845 11.358 -0.653 -0.299 178 HE1 MET 845 HE1 MET 845 15.970 -0.843 -0.167 179 HE2 MET 845 HE2 MET 845 15.027 -0.554 -1.628 180 HE3 MET 845 HE3 MET 845 15.008 -2.145 -0.864 181 H ASP 846 HN ASP 846 12.993 -2.109 -4.271 182 HA ASP 846 HA ASP 846 12.457 0.609 -4.944 183 HB2 ASP 846 HB2 ASP 846 14.682 -0.879 -5.155 184 HB3 ASP 846 HB1 ASP 846 14.085 -1.015 -6.808 185 H GLU 847 HN GLU 847 11.361 -2.431 -6.141 186 HA GLU 847 HA GLU 847 10.577 -1.566 -8.726 187 HB2 GLU 847 HB2 GLU 847 10.110 -3.944 -7.054 188 HB3 GLU 847 HB1 GLU 847 8.762 -3.548 -8.106 189 HG2 GLU 847 HG2 GLU 847 11.572 -3.814 -9.113 190 HG3 GLU 847 HG1 GLU 847 10.467 -5.180 -8.980 191 H LEU 848 HN LEU 848 8.736 -1.939 -5.699 192 HA LEU 848 HA LEU 848 6.352 -0.845 -6.783 193 HB2 LEU 848 HB2 LEU 848 5.469 -0.854 -4.582 194 HB3 LEU 848 HB1 LEU 848 6.503 -2.264 -4.690 195 HG LEU 848 HG LEU 848 8.168 -0.254 -3.711 196 HD11 LEU 848 HD11 LEU 848 6.531 1.256 -3.098 197 HD12 LEU 848 HD12 LEU 848 6.804 0.337 -1.617 198 HD13 LEU 848 HD13 LEU 848 5.395 -0.006 -2.621 199 HD21 LEU 848 HD21 LEU 848 6.703 -2.444 -2.256 200 HD22 LEU 848 HD22 LEU 848 8.088 -1.550 -1.628 201 HD23 LEU 848 HD23 LEU 848 8.271 -2.572 -3.055 202 H ARG 849 HN ARG 849 9.234 0.479 -5.456 203 HA ARG 849 HA ARG 849 8.263 3.120 -5.025 204 HB2 ARG 849 HB2 ARG 849 10.236 2.176 -3.881 205 HB3 ARG 849 HB1 ARG 849 11.093 2.120 -5.418 206 HG2 ARG 849 HG2 ARG 849 11.397 4.393 -5.478 207 HG3 ARG 849 HG1 ARG 849 9.972 4.713 -4.490 208 HD2 ARG 849 HD2 ARG 849 11.987 5.205 -3.239 209 HD3 ARG 849 HD1 ARG 849 11.135 3.837 -2.529 210 HE ARG 849 HE ARG 849 13.216 3.103 -4.386 211 HH11 ARG 849 HH11 ARG 849 12.387 3.812 -1.042 212 HH12 ARG 849 HH12 ARG 849 13.759 2.962 -0.399 213 HH21 ARG 849 HH21 ARG 849 15.064 2.065 -3.544 214 HH22 ARG 849 HH22 ARG 849 15.292 1.981 -1.820 215 H ARG 850 HN ARG 850 9.508 1.377 -7.760 216 HA ARG 850 HA ARG 850 9.960 3.744 -9.345 217 HB2 ARG 850 HB2 ARG 850 10.548 0.932 -9.521 218 HB3 ARG 850 HB1 ARG 850 9.766 1.474 -11.004 219 HG2 ARG 850 HG2 ARG 850 12.146 1.689 -11.259 220 HG3 ARG 850 HG1 ARG 850 11.445 3.303 -11.170 221 HD2 ARG 850 HD2 ARG 850 12.217 2.199 -8.574 222 HD3 ARG 850 HD1 ARG 850 13.568 2.407 -9.683 223 HE ARG 850 HE ARG 850 11.929 4.732 -9.592 224 HH11 ARG 850 HH11 ARG 850 14.989 4.378 -7.013 225 HH12 ARG 850 HH12 ARG 850 14.356 2.948 -7.779 226 HH21 ARG 850 HH21 ARG 850 12.792 6.584 -8.651 227 HH22 ARG 850 HH22 ARG 850 14.104 6.451 -7.518 228 H GLU 851 HN GLU 851 7.466 1.438 -8.746 229 HA GLU 851 HA GLU 851 5.809 2.250 -10.961 230 HB2 GLU 851 HB2 GLU 851 5.294 0.432 -8.596 231 HB3 GLU 851 HB1 GLU 851 4.116 0.754 -9.860 232 HG2 GLU 851 HG2 GLU 851 6.742 -0.686 -10.093 233 HG3 GLU 851 HG1 GLU 851 5.122 -1.301 -10.408 234 H LEU 852 HN LEU 852 5.140 2.155 -7.465 235 HA LEU 852 HA LEU 852 3.137 4.194 -7.657 236 HB2 LEU 852 HB2 LEU 852 4.483 2.868 -5.311 237 HB3 LEU 852 HB1 LEU 852 3.305 4.149 -5.116 238 HG LEU 852 HG LEU 852 2.495 1.821 -6.764 239 HD11 LEU 852 HD11 LEU 852 3.655 0.822 -4.800 240 HD12 LEU 852 HD12 LEU 852 1.922 0.497 -4.842 241 HD13 LEU 852 HD13 LEU 852 2.561 1.725 -3.749 242 HD21 LEU 852 HD21 LEU 852 0.356 2.269 -5.608 243 HD22 LEU 852 HD22 LEU 852 0.971 3.698 -6.444 244 HD23 LEU 852 HD23 LEU 852 1.143 3.555 -4.695 245 HA PRO 853 HA PRO 853 5.492 7.941 -7.306 246 HB2 PRO 853 HB2 PRO 853 3.866 9.165 -5.345 247 HB3 PRO 853 HB1 PRO 853 3.729 9.356 -7.094 248 HG2 PRO 853 HG2 PRO 853 2.129 7.729 -5.258 249 HG3 PRO 853 HG1 PRO 853 1.705 8.391 -6.845 250 HD2 PRO 853 HD2 PRO 853 2.204 5.751 -6.397 251 HD3 PRO 853 HD1 PRO 853 2.469 6.539 -7.963 252 HA PRO 854 HA PRO 854 8.466 7.225 -4.081 253 HB2 PRO 854 HB2 PRO 854 8.348 10.199 -3.885 254 HB3 PRO 854 HB1 PRO 854 9.760 9.133 -3.947 255 HG2 PRO 854 HG2 PRO 854 8.934 10.477 -6.112 256 HG3 PRO 854 HG1 PRO 854 9.642 8.855 -6.220 257 HD2 PRO 854 HD2 PRO 854 6.861 9.697 -6.653 258 HD3 PRO 854 HD1 PRO 854 7.690 8.225 -7.189 259 H ASP 855 HN ASP 855 6.183 9.861 -3.318 260 HA ASP 855 HA ASP 855 6.347 9.694 -0.541 261 HB2 ASP 855 HB2 ASP 855 4.105 10.604 -2.344 262 HB3 ASP 855 HB1 ASP 855 4.044 10.755 -0.593 263 H GLN 856 HN GLN 856 4.173 8.086 -2.769 264 HA GLN 856 HA GLN 856 2.645 6.767 -0.739 265 HB2 GLN 856 HB2 GLN 856 2.745 6.751 -3.697 266 HB3 GLN 856 HB1 GLN 856 2.130 5.290 -2.941 267 HG2 GLN 856 HG2 GLN 856 0.401 6.980 -3.603 268 HG3 GLN 856 HG1 GLN 856 0.339 6.458 -1.925 269 HE21 GLN 856 HE21 GLN 856 1.082 9.072 -4.094 270 HE22 GLN 856 HE22 GLN 856 1.126 10.319 -2.895 271 H ALA 857 HN ALA 857 5.197 5.771 -2.973 272 HA ALA 857 HA ALA 857 5.370 3.098 -2.227 273 HB1 ALA 857 HB1 ALA 857 7.505 3.049 -3.227 274 HB2 ALA 857 HB2 ALA 857 7.764 4.769 -2.945 275 HB3 ALA 857 HB3 ALA 857 6.570 4.240 -4.132 276 H GLU 858 HN GLU 858 7.262 5.834 -0.895 277 HA GLU 858 HA GLU 858 8.717 4.363 0.985 278 HB2 GLU 858 HB2 GLU 858 7.785 7.232 0.964 279 HB3 GLU 858 HB1 GLU 858 8.802 6.594 2.249 280 HG2 GLU 858 HG2 GLU 858 9.521 6.576 -0.675 281 HG3 GLU 858 HG1 GLU 858 10.057 7.793 0.485 282 H TYR 859 HN TYR 859 5.518 5.828 1.197 283 HA TYR 859 HA TYR 859 5.038 5.269 3.933 284 HB2 TYR 859 HB2 TYR 859 3.703 6.777 2.254 285 HB3 TYR 859 HB1 TYR 859 2.798 5.300 1.942 286 HD1 TYR 859 HD1 TYR 859 3.899 7.564 4.635 287 HD2 TYR 859 HD2 TYR 859 1.072 4.641 3.422 288 HE1 TYR 859 HE1 TYR 859 2.603 8.013 6.660 289 HE2 TYR 859 HE2 TYR 859 -0.255 5.089 5.446 290 HH TYR 859 HH TYR 859 0.299 7.798 7.430 291 H CYS 860 HN CYS 860 4.283 3.503 0.968 292 HA CYS 860 HA CYS 860 2.951 1.324 2.193 293 HB2 CYS 860 HB2 CYS 860 4.426 1.520 -0.451 294 HB3 CYS 860 HB1 CYS 860 3.371 0.179 0.003 295 HG CYS 860 HG CYS 860 2.570 3.353 -0.841 296 H ILE 861 HN ILE 861 6.327 1.961 1.424 297 HA ILE 861 HA ILE 861 7.360 -0.611 1.913 298 HB ILE 861 HB ILE 861 8.610 2.120 2.141 299 HG12 ILE 861 HG12 ILE 861 8.980 -0.053 0.074 300 HG13 ILE 861 HG11 ILE 861 7.866 1.298 -0.088 301 HG21 ILE 861 HG21 ILE 861 9.923 -0.566 2.549 302 HG22 ILE 861 HG22 ILE 861 9.986 0.857 3.582 303 HG23 ILE 861 HG23 ILE 861 10.828 0.856 2.035 304 HD11 ILE 861 HD11 ILE 861 9.812 1.798 -1.334 305 HD12 ILE 861 HD12 ILE 861 10.867 1.400 0.023 306 HD13 ILE 861 HD13 ILE 861 9.829 2.826 0.097 307 H ALA 862 HN ALA 862 6.724 2.122 4.079 308 HA ALA 862 HA ALA 862 7.849 0.843 6.382 309 HB1 ALA 862 HB1 ALA 862 7.647 3.313 6.143 310 HB2 ALA 862 HB2 ALA 862 6.966 2.687 7.639 311 HB3 ALA 862 HB3 ALA 862 5.900 3.149 6.315 312 H ARG 863 HN ARG 863 4.773 0.867 4.813 313 HA ARG 863 HA ARG 863 3.413 -0.247 7.126 314 HB2 ARG 863 HB2 ARG 863 2.482 0.681 4.418 315 HB3 ARG 863 HB1 ARG 863 1.419 -0.168 5.530 316 HG2 ARG 863 HG2 ARG 863 2.841 2.390 6.228 317 HG3 ARG 863 HG1 ARG 863 1.228 2.335 5.516 318 HD2 ARG 863 HD2 ARG 863 1.491 0.579 7.818 319 HD3 ARG 863 HD1 ARG 863 1.832 2.262 8.213 320 HE ARG 863 HE ARG 863 -0.449 2.460 6.811 321 HH11 ARG 863 HH11 ARG 863 -1.120 0.277 10.109 322 HH12 ARG 863 HH12 ARG 863 0.485 0.397 9.463 323 HH21 ARG 863 HH21 ARG 863 -2.577 2.303 7.663 324 HH22 ARG 863 HH22 ARG 863 -2.857 1.351 9.088 325 H MET 864 HN MET 864 5.470 -1.696 5.273 326 HA MET 864 HA MET 864 3.761 -3.980 4.543 327 HB2 MET 864 HB2 MET 864 6.468 -3.083 3.594 328 HB3 MET 864 HB1 MET 864 5.962 -4.756 3.401 329 HG2 MET 864 HG2 MET 864 3.972 -3.974 2.150 330 HG3 MET 864 HG1 MET 864 4.588 -2.324 2.271 331 HE1 MET 864 HE1 MET 864 3.717 -3.394 -0.272 332 HE2 MET 864 HE2 MET 864 5.006 -3.429 -1.477 333 HE3 MET 864 HE3 MET 864 4.727 -1.971 -0.524 334 H ALA 865 HN ALA 865 5.219 -6.129 4.692 335 HA ALA 865 HA ALA 865 6.313 -6.181 7.416 336 HB1 ALA 865 HB1 ALA 865 4.128 -7.156 7.524 337 HB2 ALA 865 HB2 ALA 865 5.323 -8.455 7.612 338 HB3 ALA 865 HB3 ALA 865 4.457 -8.150 6.107 339 HA PRO 866 HA PRO 866 9.869 -8.084 5.719 340 HB2 PRO 866 HB2 PRO 866 10.380 -10.037 7.591 341 HB3 PRO 866 HB1 PRO 866 10.800 -8.332 7.786 342 HG2 PRO 866 HG2 PRO 866 8.451 -9.815 8.863 343 HG3 PRO 866 HG1 PRO 866 9.461 -8.578 9.639 344 HD2 PRO 866 HD2 PRO 866 7.055 -7.972 8.661 345 HD3 PRO 866 HD1 PRO 866 8.414 -6.835 8.550 346 H TYR 867 HN TYR 867 8.908 -8.947 3.903 347 HA TYR 867 HA TYR 867 7.794 -10.504 2.584 348 HB2 TYR 867 HB2 TYR 867 9.570 -12.407 2.163 349 HB3 TYR 867 HB1 TYR 867 9.811 -10.764 1.621 350 HD1 TYR 867 HD1 TYR 867 10.830 -9.422 4.013 351 HD2 TYR 867 HD2 TYR 867 11.663 -13.326 2.514 352 HE1 TYR 867 HE1 TYR 867 13.025 -9.365 5.108 353 HE2 TYR 867 HE2 TYR 867 13.858 -13.272 3.624 354 HH TYR 867 HH TYR 867 15.447 -11.800 4.501 355 H THR 868 HN THR 868 9.347 -12.825 4.911 356 HA THR 868 HA THR 868 8.501 -14.666 5.897 357 HB THR 868 HB THR 868 5.860 -13.246 5.525 358 HG1 THR 868 HG1 THR 868 7.652 -12.190 6.731 359 HG21 THR 868 HG21 THR 868 5.010 -14.618 7.284 360 HG22 THR 868 HG22 THR 868 6.592 -15.331 7.581 361 HG23 THR 868 HG23 THR 868 5.722 -15.706 6.095 362 H GLY 869 HN GLY 869 8.971 -16.251 4.482 363 HA2 GLY 869 HA2 GLY 869 6.791 -17.534 3.161 364 HA3 GLY 869 HA1 GLY 869 7.868 -16.741 2.021 365 HA PRO 870 HA PRO 870 9.795 -20.851 2.977 366 HB2 PRO 870 HB2 PRO 870 9.519 -22.030 0.589 367 HB3 PRO 870 HB1 PRO 870 8.195 -22.022 1.764 368 HG2 PRO 870 HG2 PRO 870 8.539 -20.383 -0.685 369 HG3 PRO 870 HG1 PRO 870 7.061 -21.047 0.031 370 HD2 PRO 870 HD2 PRO 870 7.942 -18.422 0.296 371 HD3 PRO 870 HD1 PRO 870 6.734 -19.214 1.323 372 H ASP 871 HN ASP 871 10.410 -18.155 1.353 373 HA ASP 871 HA ASP 871 13.131 -18.925 0.733 374 HB2 ASP 871 HB2 ASP 871 11.709 -19.230 -1.363 375 HB3 ASP 871 HB1 ASP 871 11.481 -17.486 -1.352 376 H SER 872 HN SER 872 14.263 -17.465 1.874 377 HA SER 872 HA SER 872 13.138 -14.929 2.616 378 HB2 SER 872 HB2 SER 872 14.696 -16.160 4.106 379 HB3 SER 872 HB1 SER 872 15.980 -15.956 2.919 380 HG SER 872 HG SER 872 15.218 -14.293 4.847 381 H VAL 873 HN VAL 873 12.742 -13.790 0.820 382 HA VAL 873 HA VAL 873 14.681 -13.322 -1.243 383 HB VAL 873 HB VAL 873 12.934 -11.754 -2.125 384 HG11 VAL 873 HG11 VAL 873 13.086 -14.174 -2.682 385 HG12 VAL 873 HG12 VAL 873 11.456 -13.516 -2.818 386 HG13 VAL 873 HG13 VAL 873 11.898 -14.495 -1.419 387 HG21 VAL 873 HG21 VAL 873 11.795 -10.988 -0.206 388 HG22 VAL 873 HG22 VAL 873 11.501 -12.628 0.382 389 HG23 VAL 873 HG23 VAL 873 10.644 -12.028 -1.053 390 HA PRO 874 HA PRO 874 16.398 -9.729 0.746 391 HB2 PRO 874 HB2 PRO 874 18.417 -9.326 -0.959 392 HB3 PRO 874 HB1 PRO 874 18.379 -10.755 0.085 393 HG2 PRO 874 HG2 PRO 874 17.753 -10.532 -2.813 394 HG3 PRO 874 HG1 PRO 874 18.563 -11.837 -1.924 395 HD2 PRO 874 HD2 PRO 874 15.877 -11.811 -2.690 396 HD3 PRO 874 HD1 PRO 874 16.610 -12.886 -1.484 397 H GLY 875 HN GLY 875 15.812 -7.659 0.645 398 HA2 GLY 875 HA2 GLY 875 15.343 -5.567 -0.230 399 HA3 GLY 875 HA1 GLY 875 15.836 -6.155 -1.806 400 H ALA 876 HN ALA 876 13.521 -8.093 -0.315 401 HA ALA 876 HA ALA 876 11.330 -6.709 -1.695 402 HB1 ALA 876 HB1 ALA 876 10.460 -8.869 -2.464 403 HB2 ALA 876 HB2 ALA 876 11.891 -9.665 -1.809 404 HB3 ALA 876 HB3 ALA 876 12.052 -8.521 -3.141 405 H LEU 877 HN LEU 877 9.424 -6.703 -0.581 406 HA LEU 877 HA LEU 877 9.363 -8.233 1.921 407 HB2 LEU 877 HB2 LEU 877 9.529 -5.398 1.624 408 HB3 LEU 877 HB1 LEU 877 7.980 -5.804 2.343 409 HG LEU 877 HG LEU 877 9.238 -7.182 4.040 410 HD11 LEU 877 HD11 LEU 877 11.616 -5.671 2.963 411 HD12 LEU 877 HD12 LEU 877 11.315 -7.388 2.713 412 HD13 LEU 877 HD13 LEU 877 11.598 -6.775 4.340 413 HD21 LEU 877 HD21 LEU 877 9.960 -5.163 5.307 414 HD22 LEU 877 HD22 LEU 877 8.340 -5.040 4.623 415 HD23 LEU 877 HD23 LEU 877 9.690 -4.209 3.851 416 H ASP 878 HN ASP 878 7.220 -8.506 2.850 417 HA ASP 878 HA ASP 878 5.392 -9.420 0.885 418 HB2 ASP 878 HB2 ASP 878 5.593 -10.493 3.093 419 HB3 ASP 878 HB1 ASP 878 4.988 -9.027 3.861 420 H TYR 879 HN TYR 879 4.063 -8.169 -0.298 421 HA TYR 879 HA TYR 879 3.343 -5.543 0.660 422 HB2 TYR 879 HB2 TYR 879 2.205 -5.297 -1.552 423 HB3 TYR 879 HB1 TYR 879 3.914 -5.691 -1.683 424 HD1 TYR 879 HD1 TYR 879 0.509 -7.178 -1.822 425 HD2 TYR 879 HD2 TYR 879 4.589 -7.557 -2.972 426 HE1 TYR 879 HE1 TYR 879 -0.086 -9.057 -3.289 427 HE2 TYR 879 HE2 TYR 879 3.999 -9.439 -4.445 428 HH TYR 879 HH TYR 879 2.381 -10.964 -4.921 429 H MET 880 HN MET 880 1.908 -8.680 0.610 430 HA MET 880 HA MET 880 -0.809 -8.087 0.455 431 HB2 MET 880 HB2 MET 880 0.166 -10.360 0.378 432 HB3 MET 880 HB1 MET 880 0.537 -10.231 2.090 433 HG2 MET 880 HG2 MET 880 -1.937 -9.912 2.483 434 HG3 MET 880 HG1 MET 880 -2.170 -10.371 0.798 435 HE1 MET 880 HE1 MET 880 0.662 -11.893 3.094 436 HE2 MET 880 HE2 MET 880 -0.253 -13.140 3.946 437 HE3 MET 880 HE3 MET 880 -0.636 -11.439 4.194 438 H SER 881 HN SER 881 1.443 -7.754 3.044 439 HA SER 881 HA SER 881 -0.389 -7.522 5.207 440 HB2 SER 881 HB2 SER 881 2.417 -6.453 4.878 441 HB3 SER 881 HB1 SER 881 1.527 -6.507 6.406 442 HG SER 881 HG SER 881 2.249 -8.732 4.762 443 H PHE 882 HN PHE 882 0.877 -5.246 2.883 444 HA PHE 882 HA PHE 882 -0.013 -2.901 4.190 445 HB2 PHE 882 HB2 PHE 882 1.676 -2.680 2.499 446 HB3 PHE 882 HB1 PHE 882 0.654 -3.460 1.292 447 HD1 PHE 882 HD1 PHE 882 0.281 -0.622 3.696 448 HD2 PHE 882 HD2 PHE 882 -0.151 -2.032 -0.305 449 HE1 PHE 882 HE1 PHE 882 -0.616 1.564 3.025 450 HE2 PHE 882 HE2 PHE 882 -1.056 0.160 -0.978 451 HZ PHE 882 HZ PHE 882 -1.289 1.953 0.688 452 H SER 883 HN SER 883 -1.391 -4.917 1.626 453 HA SER 883 HA SER 883 -3.737 -3.391 1.305 454 HB2 SER 883 HB2 SER 883 -4.091 -6.224 0.738 455 HB3 SER 883 HB1 SER 883 -4.107 -4.847 -0.365 456 HG SER 883 HG SER 883 -2.362 -6.438 -0.693 457 H THR 884 HN THR 884 -2.820 -5.953 3.512 458 HA THR 884 HA THR 884 -5.443 -6.506 4.498 459 HB THR 884 HB THR 884 -2.763 -6.996 5.846 460 HG1 THR 884 HG1 THR 884 -2.900 -8.088 3.839 461 HG21 THR 884 HG21 THR 884 -3.930 -8.714 7.130 462 HG22 THR 884 HG22 THR 884 -5.447 -8.292 6.338 463 HG23 THR 884 HG23 THR 884 -4.657 -7.131 7.407 464 H ALA 885 HN ALA 885 -2.743 -4.498 5.680 465 HA ALA 885 HA ALA 885 -4.057 -3.560 7.996 466 HB1 ALA 885 HB1 ALA 885 -1.858 -2.279 6.376 467 HB2 ALA 885 HB2 ALA 885 -1.647 -3.386 7.736 468 HB3 ALA 885 HB3 ALA 885 -2.351 -1.790 7.997 469 H LEU 886 HN LEU 886 -4.006 -2.507 4.669 470 HA LEU 886 HA LEU 886 -5.379 -0.044 5.101 471 HB2 LEU 886 HB2 LEU 886 -3.855 -0.567 3.175 472 HB3 LEU 886 HB1 LEU 886 -5.118 -1.611 2.546 473 HG LEU 886 HG LEU 886 -6.634 0.400 2.485 474 HD11 LEU 886 HD11 LEU 886 -4.136 1.678 3.463 475 HD12 LEU 886 HD12 LEU 886 -5.820 2.049 3.844 476 HD13 LEU 886 HD13 LEU 886 -5.126 2.565 2.306 477 HD21 LEU 886 HD21 LEU 886 -4.133 0.624 0.821 478 HD22 LEU 886 HD22 LEU 886 -5.749 1.208 0.418 479 HD23 LEU 886 HD23 LEU 886 -5.441 -0.523 0.533 480 H TYR 887 HN TYR 887 -6.318 -3.349 4.300 481 HA TYR 887 HA TYR 887 -8.958 -2.836 3.481 482 HB2 TYR 887 HB2 TYR 887 -7.661 -4.996 3.222 483 HB3 TYR 887 HB1 TYR 887 -8.014 -5.316 4.915 484 HD1 TYR 887 HD1 TYR 887 -10.048 -6.311 5.540 485 HD2 TYR 887 HD2 TYR 887 -9.641 -4.639 1.643 486 HE1 TYR 887 HE1 TYR 887 -12.212 -7.261 4.913 487 HE2 TYR 887 HE2 TYR 887 -11.821 -5.597 1.007 488 HH TYR 887 HH TYR 887 -14.066 -6.578 3.068 489 H GLY 888 HN GLY 888 -7.507 -3.398 6.647 490 HA2 GLY 888 HA2 GLY 888 -10.035 -3.473 8.021 491 HA3 GLY 888 HA1 GLY 888 -8.442 -3.405 8.760 492 H GLU 889 HN GLU 889 -11.061 -1.495 7.391 493 HA GLU 889 HA GLU 889 -9.766 1.002 7.943 494 HB2 GLU 889 HB2 GLU 889 -12.015 0.150 6.474 495 HB3 GLU 889 HB1 GLU 889 -12.626 1.241 7.708 496 HG2 GLU 889 HG2 GLU 889 -10.245 2.172 6.250 497 HG3 GLU 889 HG1 GLU 889 -11.725 2.030 5.305 498 H SER 890 HN SER 890 -10.795 2.650 9.375 499 HA SER 890 HA SER 890 -11.386 1.425 11.963 500 HB2 SER 890 HB2 SER 890 -10.855 4.327 11.256 501 HB3 SER 890 HB1 SER 890 -10.944 3.661 12.886 502 HG SER 890 HG SER 890 -9.187 2.188 11.921 503 H ASP 891 HN ASP 891 -12.989 2.575 9.323 504 HA ASP 891 HA ASP 891 -15.541 2.656 10.686 505 HB2 ASP 891 HB2 ASP 891 -15.353 4.948 10.878 506 HB3 ASP 891 HB1 ASP 891 -14.246 5.076 9.517 507 H LEU 892 HN LEU 892 -16.898 1.535 9.454 508 HA LEU 892 HA LEU 892 -16.842 1.739 6.579 509 HB2 LEU 892 HB2 LEU 892 -15.089 -0.017 7.231 510 HB3 LEU 892 HB1 LEU 892 -16.426 -0.989 7.807 511 HG LEU 892 HG LEU 892 -17.381 -0.977 5.504 512 HD11 LEU 892 HD11 LEU 892 -14.739 0.248 4.721 513 HD12 LEU 892 HD12 LEU 892 -16.295 1.076 4.689 514 HD13 LEU 892 HD13 LEU 892 -16.005 -0.296 3.617 515 HD21 LEU 892 HD21 LEU 892 -15.984 -2.808 6.412 516 HD22 LEU 892 HD22 LEU 892 -14.574 -2.064 5.662 517 HD23 LEU 892 HD23 LEU 892 -15.892 -2.668 4.656 518 H1 GLY1646 HT1 GLY1646 0.463 -5.676 -16.648 519 H2 GLY1646 HT2 GLY1646 -0.862 -5.139 -17.552 520 H3 GLY1646 HT3 GLY1646 -0.853 -4.958 -15.872 521 HA2 GLY1646 HA1 GLY1646 1.199 -3.683 -17.561 522 HA3 GLY1646 HA2 GLY1646 -0.350 -2.912 -17.249 523 H LYS1647 HN LYS1647 2.700 -2.714 -16.319 524 HA LYS1647 HA LYS1647 2.677 -2.953 -13.527 525 HB2 LYS1647 HB2 LYS1647 4.337 -1.236 -15.363 526 HB3 LYS1647 HB1 LYS1647 4.604 -1.323 -13.629 527 HG2 LYS1647 HG2 LYS1647 4.644 -3.765 -15.376 528 HG3 LYS1647 HG1 LYS1647 6.071 -2.767 -15.097 529 HD2 LYS1647 HD2 LYS1647 5.101 -3.146 -12.563 530 HD3 LYS1647 HD1 LYS1647 4.764 -4.695 -13.340 531 HE2 LYS1647 HE2 LYS1647 6.938 -4.791 -12.318 532 HE3 LYS1647 HE1 LYS1647 7.126 -4.795 -14.070 533 HZ1 LYS1647 HZ1 LYS1647 8.486 -3.201 -12.394 534 HZ2 LYS1647 HZ2 LYS1647 7.218 -2.163 -12.843 535 HZ3 LYS1647 HZ3 LYS1647 8.215 -2.849 -14.029 536 H PHE1648 HN PHE1648 2.523 0.066 -15.429 537 HA PHE1648 HA PHE1648 1.836 1.696 -13.243 538 HB2 PHE1648 HB2 PHE1648 1.759 2.046 -16.214 539 HB3 PHE1648 HB1 PHE1648 0.992 3.243 -15.180 540 HD1 PHE1648 HD1 PHE1648 2.678 3.706 -13.014 541 HD2 PHE1648 HD2 PHE1648 3.805 2.769 -17.012 542 HE1 PHE1648 HE1 PHE1648 4.842 4.816 -12.665 543 HE2 PHE1648 HE2 PHE1648 5.973 3.883 -16.654 544 HZ PHE1648 HZ PHE1648 6.487 4.903 -14.478 545 H TYR1649 HN TYR1649 -0.078 -0.244 -15.388 546 HA TYR1649 HA TYR1649 -2.575 0.951 -15.023 547 HB2 TYR1649 HB2 TYR1649 -2.388 -0.739 -16.706 548 HB3 TYR1649 HB1 TYR1649 -1.814 -1.934 -15.549 549 HD1 TYR1649 HD1 TYR1649 -3.303 -3.366 -14.497 550 HD2 TYR1649 HD2 TYR1649 -4.810 0.108 -16.442 551 HE1 TYR1649 HE1 TYR1649 -5.605 -4.163 -14.127 552 HE2 TYR1649 HE2 TYR1649 -7.113 -0.678 -16.069 553 HH TYR1649 HH TYR1649 -8.274 -2.869 -15.697 554 H ALA1650 HN ALA1650 -0.831 -1.428 -13.094 555 HA ALA1650 HA ALA1650 -2.946 -1.814 -11.189 556 HB1 ALA1650 HB1 ALA1650 0.004 -2.417 -10.925 557 HB2 ALA1650 HB2 ALA1650 -1.197 -3.519 -11.599 558 HB3 ALA1650 HB3 ALA1650 -1.287 -3.047 -9.901 559 H THR1651 HN THR1651 -0.066 0.154 -11.437 560 HA THR1651 HA THR1651 -0.031 1.252 -8.870 561 HB THR1651 HB THR1651 0.777 2.591 -11.454 562 HG1 THR1651 HG1 THR1651 2.385 1.214 -11.457 563 HG21 THR1651 HG21 THR1651 2.542 3.501 -9.701 564 HG22 THR1651 HG22 THR1651 1.221 3.196 -8.575 565 HG23 THR1651 HG23 THR1651 0.986 4.295 -9.933 566 H PHE1652 HN PHE1652 -1.616 2.432 -11.836 567 HA PHE1652 HA PHE1652 -2.783 4.741 -10.744 568 HB2 PHE1652 HB2 PHE1652 -2.609 4.348 -13.153 569 HB3 PHE1652 HB1 PHE1652 -3.728 2.996 -13.028 570 HD1 PHE1652 HD1 PHE1652 -3.563 6.648 -12.226 571 HD2 PHE1652 HD2 PHE1652 -5.957 3.366 -13.524 572 HE1 PHE1652 HE1 PHE1652 -5.445 8.165 -12.633 573 HE2 PHE1652 HE2 PHE1652 -7.841 4.905 -13.905 574 HZ PHE1652 HZ PHE1652 -7.571 7.300 -13.466 575 H LEU1653 HN LEU1653 -3.860 1.385 -10.865 576 HA LEU1653 HA LEU1653 -6.509 1.753 -10.073 577 HB2 LEU1653 HB2 LEU1653 -4.630 -0.558 -9.587 578 HB3 LEU1653 HB1 LEU1653 -6.332 -0.595 -9.161 579 HG LEU1653 HG LEU1653 -5.170 -0.368 -11.944 580 HD11 LEU1653 HD11 LEU1653 -6.967 -2.468 -10.749 581 HD12 LEU1653 HD12 LEU1653 -5.210 -2.612 -10.808 582 HD13 LEU1653 HD13 LEU1653 -6.138 -2.512 -12.305 583 HD21 LEU1653 HD21 LEU1653 -7.170 1.040 -11.750 584 HD22 LEU1653 HD22 LEU1653 -8.063 -0.324 -11.082 585 HD23 LEU1653 HD23 LEU1653 -7.479 -0.382 -12.744 586 H ILE1654 HN ILE1654 -3.574 1.400 -8.163 587 HA ILE1654 HA ILE1654 -4.875 1.441 -5.625 588 HB ILE1654 HB ILE1654 -1.976 2.064 -6.255 589 HG12 ILE1654 HG12 ILE1654 -3.003 -0.586 -5.259 590 HG13 ILE1654 HG11 ILE1654 -2.990 -0.232 -6.982 591 HG21 ILE1654 HG21 ILE1654 -1.553 1.514 -3.939 592 HG22 ILE1654 HG22 ILE1654 -3.252 1.115 -3.692 593 HG23 ILE1654 HG23 ILE1654 -2.776 2.781 -4.021 594 HD11 ILE1654 HD11 ILE1654 -0.574 0.158 -6.867 595 HD12 ILE1654 HD12 ILE1654 -1.013 -1.469 -6.334 596 HD13 ILE1654 HD13 ILE1654 -0.609 -0.227 -5.145 597 H GLN1655 HN GLN1655 -3.280 3.868 -7.655 598 HA GLN1655 HA GLN1655 -3.456 6.001 -5.824 599 HB2 GLN1655 HB2 GLN1655 -3.377 6.109 -8.846 600 HB3 GLN1655 HB1 GLN1655 -3.114 7.476 -7.773 601 HG2 GLN1655 HG2 GLN1655 -1.135 6.380 -6.842 602 HG3 GLN1655 HG1 GLN1655 -1.400 4.999 -7.901 603 HE21 GLN1655 HE21 GLN1655 -0.371 8.337 -7.740 604 HE22 GLN1655 HE22 GLN1655 0.352 8.385 -9.311 605 H GLU1656 HN GLU1656 -5.618 4.909 -8.415 606 HA GLU1656 HA GLU1656 -7.543 6.945 -8.154 607 HB2 GLU1656 HB2 GLU1656 -7.344 5.321 -10.054 608 HB3 GLU1656 HB1 GLU1656 -8.050 4.091 -9.016 609 HG2 GLU1656 HG2 GLU1656 -9.692 5.047 -10.523 610 HG3 GLU1656 HG1 GLU1656 -10.098 5.394 -8.845 611 H TYR1657 HN TYR1657 -7.096 3.922 -6.417 612 HA TYR1657 HA TYR1657 -9.611 3.944 -5.102 613 HB2 TYR1657 HB2 TYR1657 -8.052 1.965 -5.259 614 HB3 TYR1657 HB1 TYR1657 -7.050 2.741 -4.036 615 HD1 TYR1657 HD1 TYR1657 -7.869 2.974 -1.722 616 HD2 TYR1657 HD2 TYR1657 -10.144 0.915 -4.675 617 HE1 TYR1657 HE1 TYR1657 -9.237 1.964 0.051 618 HE2 TYR1657 HE2 TYR1657 -11.514 -0.105 -2.896 619 HH TYR1657 HH TYR1657 -11.054 -0.620 -0.264 620 H PHE1658 HN PHE1658 -6.521 5.459 -4.492 621 HA PHE1658 HA PHE1658 -7.039 6.322 -1.844 622 HB2 PHE1658 HB2 PHE1658 -5.044 6.877 -3.913 623 HB3 PHE1658 HB1 PHE1658 -5.379 8.261 -2.876 624 HD1 PHE1658 HD1 PHE1658 -4.941 8.141 -0.464 625 HD2 PHE1658 HD2 PHE1658 -3.965 4.938 -3.078 626 HE1 PHE1658 HE1 PHE1658 -3.504 7.171 1.280 627 HE2 PHE1658 HE2 PHE1658 -2.529 3.955 -1.344 628 HZ PHE1658 HZ PHE1658 -2.300 5.068 0.841 629 H ARG1659 HN ARG1659 -7.600 7.724 -5.007 630 HA ARG1659 HA ARG1659 -8.593 10.217 -4.122 631 HB2 ARG1659 HB2 ARG1659 -8.830 8.689 -6.706 632 HB3 ARG1659 HB1 ARG1659 -9.673 10.211 -6.467 633 HG2 ARG1659 HG2 ARG1659 -7.853 11.306 -7.065 634 HG3 ARG1659 HG1 ARG1659 -6.993 10.611 -5.691 635 HD2 ARG1659 HD2 ARG1659 -5.776 10.112 -7.712 636 HD3 ARG1659 HD1 ARG1659 -6.459 8.629 -7.062 637 HE ARG1659 HE ARG1659 -8.236 8.858 -8.797 638 HH11 ARG1659 HH11 ARG1659 -5.204 10.362 -10.979 639 HH12 ARG1659 HH12 ARG1659 -5.111 10.371 -9.248 640 HH21 ARG1659 HH21 ARG1659 -7.056 9.487 -12.030 641 HH22 ARG1659 HH22 ARG1659 -8.359 8.809 -11.094 642 H LYS1660 HN LYS1660 -10.181 7.132 -4.966 643 HA LYS1660 HA LYS1660 -12.797 8.228 -4.555 644 HB2 LYS1660 HB2 LYS1660 -13.662 6.056 -4.976 645 HB3 LYS1660 HB1 LYS1660 -12.332 6.309 -6.091 646 HG2 LYS1660 HG2 LYS1660 -11.702 4.280 -5.462 647 HG3 LYS1660 HG1 LYS1660 -11.065 5.089 -4.030 648 HD2 LYS1660 HD2 LYS1660 -12.352 3.210 -3.315 649 HD3 LYS1660 HD1 LYS1660 -13.271 4.670 -2.922 650 HE2 LYS1660 HE2 LYS1660 -14.510 4.328 -5.090 651 HE3 LYS1660 HE1 LYS1660 -13.708 2.762 -5.216 652 HZ1 LYS1660 HZ1 LYS1660 -15.672 3.666 -3.209 653 HZ2 LYS1660 HZ2 LYS1660 -14.653 2.349 -2.910 654 HZ3 LYS1660 HZ3 LYS1660 -15.733 2.305 -4.210 655 H PHE1661 HN PHE1661 -10.427 6.722 -2.552 656 HA PHE1661 HA PHE1661 -12.057 5.868 -0.428 657 HB2 PHE1661 HB2 PHE1661 -9.568 5.386 -0.888 658 HB3 PHE1661 HB1 PHE1661 -9.255 6.918 -0.087 659 HD1 PHE1661 HD1 PHE1661 -11.086 3.720 0.444 660 HD2 PHE1661 HD2 PHE1661 -8.887 6.939 2.152 661 HE1 PHE1661 HE1 PHE1661 -11.131 2.585 2.633 662 HE2 PHE1661 HE2 PHE1661 -8.929 5.827 4.338 663 HZ PHE1661 HZ PHE1661 -10.040 3.643 4.587 664 H LYS1662 HN LYS1662 -10.487 8.964 -1.114 665 HA LYS1662 HA LYS1662 -11.231 10.243 1.286 666 HB2 LYS1662 HB2 LYS1662 -10.842 11.543 -1.426 667 HB3 LYS1662 HB1 LYS1662 -10.776 12.352 0.131 668 HG2 LYS1662 HG2 LYS1662 -8.843 10.663 0.607 669 HG3 LYS1662 HG1 LYS1662 -8.777 10.539 -1.149 670 HD2 LYS1662 HD2 LYS1662 -8.350 12.890 -1.362 671 HD3 LYS1662 HD1 LYS1662 -8.657 13.157 0.351 672 HE2 LYS1662 HE2 LYS1662 -6.395 11.485 -0.749 673 HE3 LYS1662 HE1 LYS1662 -6.240 13.162 -0.233 674 HZ1 LYS1662 HZ1 LYS1662 -6.616 10.740 1.404 675 HZ2 LYS1662 HZ2 LYS1662 -7.227 12.206 1.978 676 HZ3 LYS1662 HZ3 LYS1662 -5.575 12.053 1.650 677 H LYS1663 HN LYS1663 -12.762 10.094 -1.878 678 HA LYS1663 HA LYS1663 -14.986 11.687 -1.362 679 HB2 LYS1663 HB2 LYS1663 -14.747 9.303 -3.210 680 HB3 LYS1663 HB1 LYS1663 -16.044 10.486 -3.258 681 HG2 LYS1663 HG2 LYS1663 -14.428 12.233 -3.807 682 HG3 LYS1663 HG1 LYS1663 -13.132 11.037 -3.767 683 HD2 LYS1663 HD2 LYS1663 -14.235 9.809 -5.601 684 HD3 LYS1663 HD1 LYS1663 -15.497 11.041 -5.652 685 HE2 LYS1663 HE2 LYS1663 -13.998 11.597 -7.389 686 HE3 LYS1663 HE1 LYS1663 -13.621 12.715 -6.077 687 HZ1 LYS1663 HZ1 LYS1663 -12.131 10.257 -6.799 688 HZ2 LYS1663 HZ2 LYS1663 -11.819 11.184 -5.421 689 HZ3 LYS1663 HZ3 LYS1663 -11.597 11.854 -6.956 690 H ARG1664 HN ARG1664 -14.470 8.216 -0.952 691 HA ARG1664 HA ARG1664 -17.000 7.419 -0.129 692 HB2 ARG1664 HB2 ARG1664 -14.736 6.060 -0.498 693 HB3 ARG1664 HB1 ARG1664 -14.581 6.266 1.239 694 HG2 ARG1664 HG2 ARG1664 -16.985 5.023 -0.089 695 HG3 ARG1664 HG1 ARG1664 -15.610 4.103 0.519 696 HD2 ARG1664 HD2 ARG1664 -17.325 5.934 2.192 697 HD3 ARG1664 HD1 ARG1664 -17.542 4.192 2.079 698 HE ARG1664 HE ARG1664 -14.952 4.494 2.865 699 HH11 ARG1664 HH11 ARG1664 -17.527 5.636 5.751 700 HH12 ARG1664 HH12 ARG1664 -18.045 5.609 4.089 701 HH21 ARG1664 HH21 ARG1664 -14.297 4.440 5.079 702 HH22 ARG1664 HH22 ARG1664 -15.409 4.964 6.314 703 H LYS1665 HN LYS1665 -14.329 8.733 1.771 704 HA LYS1665 HA LYS1665 -15.504 8.466 4.314 705 HB2 LYS1665 HB2 LYS1665 -13.043 9.051 3.432 706 HB3 LYS1665 HB1 LYS1665 -13.584 10.677 3.830 707 HG2 LYS1665 HG2 LYS1665 -12.366 9.635 5.682 708 HG3 LYS1665 HG1 LYS1665 -14.037 9.993 6.124 709 HD2 LYS1665 HD2 LYS1665 -14.662 7.688 5.875 710 HD3 LYS1665 HD1 LYS1665 -13.095 7.282 5.179 711 HE2 LYS1665 HE2 LYS1665 -12.011 7.789 7.308 712 HE3 LYS1665 HE1 LYS1665 -13.562 8.257 7.997 713 HZ1 LYS1665 HZ1 LYS1665 -12.988 5.527 6.957 714 HZ2 LYS1665 HZ2 LYS1665 -14.336 6.027 7.858 715 HZ3 LYS1665 HZ3 LYS1665 -12.805 5.982 8.576 716 H GLU1666 HN GLU1666 -15.829 10.867 1.836 717 HA GLU1666 HA GLU1666 -16.985 12.858 3.578 718 HB2 GLU1666 HB2 GLU1666 -17.052 12.801 0.563 719 HB3 GLU1666 HB1 GLU1666 -17.258 14.197 1.609 720 HG2 GLU1666 HG2 GLU1666 -14.807 13.397 2.369 721 HG3 GLU1666 HG1 GLU1666 -14.807 12.879 0.681 722 H GLN1667 HN GLN1667 -18.077 10.029 2.217 723 HA GLN1667 HA GLN1667 -20.797 11.066 1.973 724 HB2 GLN1667 HB2 GLN1667 -19.495 8.557 0.922 725 HB3 GLN1667 HB1 GLN1667 -21.228 8.855 0.846 726 HG2 GLN1667 HG2 GLN1667 -19.164 10.673 -0.352 727 HG3 GLN1667 HG1 GLN1667 -19.993 9.388 -1.235 728 HE21 GLN1667 HE21 GLN1667 -22.226 9.558 -1.574 729 HE22 GLN1667 HE22 GLN1667 -23.032 11.087 -1.477 730 H GLY1668 HN GLY1668 -19.522 7.872 2.823 731 HA2 GLY1668 HA2 GLY1668 -19.855 7.548 5.422 732 HA3 GLY1668 HA1 GLY1668 -21.537 7.658 4.908 Start of MODEL 3 1 H1 ASP 822 HT1 ASP 822 -15.042 -9.458 -5.433 2 H2 ASP 822 HT2 ASP 822 -15.560 -8.020 -4.708 3 H3 ASP 822 HT3 ASP 822 -14.573 -7.967 -6.081 4 HA ASP 822 HA ASP 822 -16.281 -8.936 -7.423 5 HB2 ASP 822 HB2 ASP 822 -17.278 -10.264 -5.551 6 HB3 ASP 822 HB1 ASP 822 -18.020 -8.782 -4.954 7 H THR 823 HN THR 823 -17.627 -6.815 -4.853 8 HA THR 823 HA THR 823 -18.272 -4.839 -6.916 9 HB THR 823 HB THR 823 -18.992 -4.353 -4.061 10 HG1 THR 823 HG1 THR 823 -19.981 -6.469 -5.639 11 HG21 THR 823 HG21 THR 823 -20.483 -4.022 -6.666 12 HG22 THR 823 HG22 THR 823 -19.581 -2.756 -5.832 13 HG23 THR 823 HG23 THR 823 -21.020 -3.452 -5.085 14 H ASP 824 HN ASP 824 -15.963 -5.509 -4.581 15 HA ASP 824 HA ASP 824 -15.174 -2.751 -4.119 16 HB2 ASP 824 HB2 ASP 824 -13.440 -3.791 -2.650 17 HB3 ASP 824 HB1 ASP 824 -15.081 -4.252 -2.213 18 H THR 825 HN THR 825 -12.397 -3.151 -3.947 19 HA THR 825 HA THR 825 -11.529 -4.056 -6.577 20 HB THR 825 HB THR 825 -10.368 -1.448 -5.808 21 HG1 THR 825 HG1 THR 825 -12.497 -0.776 -7.176 22 HG21 THR 825 HG21 THR 825 -11.425 -2.566 -8.410 23 HG22 THR 825 HG22 THR 825 -9.749 -2.634 -7.867 24 HG23 THR 825 HG23 THR 825 -10.496 -1.078 -8.228 25 H ALA 826 HN ALA 826 -11.251 -4.373 -3.466 26 HA ALA 826 HA ALA 826 -8.458 -4.029 -2.941 27 HB1 ALA 826 HB1 ALA 826 -10.486 -5.731 -1.484 28 HB2 ALA 826 HB2 ALA 826 -10.128 -4.040 -1.134 29 HB3 ALA 826 HB3 ALA 826 -8.892 -5.274 -0.885 30 H ASP 827 HN ASP 827 -10.513 -6.886 -3.468 31 HA ASP 827 HA ASP 827 -8.508 -8.820 -3.599 32 HB2 ASP 827 HB2 ASP 827 -10.915 -9.351 -3.446 33 HB3 ASP 827 HB1 ASP 827 -11.158 -8.734 -5.075 34 H GLN 828 HN GLN 828 -9.800 -6.644 -6.019 35 HA GLN 828 HA GLN 828 -8.438 -7.745 -8.252 36 HB2 GLN 828 HB2 GLN 828 -9.504 -4.943 -7.858 37 HB3 GLN 828 HB1 GLN 828 -9.072 -5.680 -9.398 38 HG2 GLN 828 HG2 GLN 828 -11.263 -6.628 -7.560 39 HG3 GLN 828 HG1 GLN 828 -11.497 -5.667 -9.018 40 HE21 GLN 828 HE21 GLN 828 -10.834 -8.792 -7.715 41 HE22 GLN 828 HE22 GLN 828 -10.944 -9.673 -9.198 42 H VAL 829 HN VAL 829 -7.717 -5.081 -6.013 43 HA VAL 829 HA VAL 829 -5.328 -4.245 -7.237 44 HB VAL 829 HB VAL 829 -6.446 -3.953 -4.472 45 HG11 VAL 829 HG11 VAL 829 -4.494 -2.700 -3.739 46 HG12 VAL 829 HG12 VAL 829 -3.677 -3.041 -5.264 47 HG13 VAL 829 HG13 VAL 829 -4.029 -4.355 -4.142 48 HG21 VAL 829 HG21 VAL 829 -5.966 -1.506 -5.153 49 HG22 VAL 829 HG22 VAL 829 -7.303 -2.359 -5.928 50 HG23 VAL 829 HG23 VAL 829 -5.769 -2.169 -6.776 51 H MET 830 HN MET 830 -5.954 -6.655 -4.714 52 HA MET 830 HA MET 830 -3.315 -7.357 -4.129 53 HB2 MET 830 HB2 MET 830 -5.957 -8.744 -3.899 54 HB3 MET 830 HB1 MET 830 -4.496 -9.699 -3.695 55 HG2 MET 830 HG2 MET 830 -5.012 -7.191 -2.134 56 HG3 MET 830 HG1 MET 830 -5.569 -8.777 -1.605 57 HE1 MET 830 HE1 MET 830 -3.040 -10.734 -2.454 58 HE2 MET 830 HE2 MET 830 -4.106 -10.747 -1.050 59 HE3 MET 830 HE3 MET 830 -2.358 -10.717 -0.830 60 H ALA 831 HN ALA 831 -5.555 -8.764 -6.514 61 HA ALA 831 HA ALA 831 -3.750 -10.701 -7.512 62 HB1 ALA 831 HB1 ALA 831 -6.197 -10.808 -7.850 63 HB2 ALA 831 HB2 ALA 831 -5.302 -10.948 -9.364 64 HB3 ALA 831 HB3 ALA 831 -6.087 -9.427 -8.942 65 H SER 832 HN SER 832 -4.576 -7.426 -8.599 66 HA SER 832 HA SER 832 -2.934 -7.385 -10.887 67 HB2 SER 832 HB2 SER 832 -3.859 -5.132 -9.071 68 HB3 SER 832 HB1 SER 832 -3.060 -4.891 -10.622 69 HG SER 832 HG SER 832 -5.506 -4.942 -10.460 70 H PHE 833 HN PHE 833 -2.325 -6.521 -7.513 71 HA PHE 833 HA PHE 833 0.318 -5.607 -7.772 72 HB2 PHE 833 HB2 PHE 833 -1.498 -6.202 -5.647 73 HB3 PHE 833 HB1 PHE 833 0.006 -7.052 -5.316 74 HD1 PHE 833 HD1 PHE 833 2.186 -5.570 -5.632 75 HD2 PHE 833 HD2 PHE 833 -1.723 -4.067 -4.889 76 HE1 PHE 833 HE1 PHE 833 3.159 -3.492 -4.739 77 HE2 PHE 833 HE2 PHE 833 -0.761 -1.987 -3.999 78 HZ PHE 833 HZ PHE 833 1.683 -1.696 -3.922 79 H LYS 834 HN LYS 834 -0.883 -8.783 -6.686 80 HA LYS 834 HA LYS 834 1.357 -10.259 -6.600 81 HB2 LYS 834 HB2 LYS 834 -1.287 -10.884 -6.559 82 HB3 LYS 834 HB1 LYS 834 -0.819 -11.588 -8.102 83 HG2 LYS 834 HG2 LYS 834 1.126 -12.642 -6.751 84 HG3 LYS 834 HG1 LYS 834 0.107 -12.294 -5.354 85 HD2 LYS 834 HD2 LYS 834 -1.724 -13.570 -6.414 86 HD3 LYS 834 HD1 LYS 834 -0.642 -13.965 -7.753 87 HE2 LYS 834 HE2 LYS 834 0.925 -14.943 -6.024 88 HE3 LYS 834 HE1 LYS 834 -0.395 -14.782 -4.867 89 HZ1 LYS 834 HZ1 LYS 834 -0.373 -16.426 -7.334 90 HZ2 LYS 834 HZ2 LYS 834 -1.748 -16.178 -6.379 91 HZ3 LYS 834 HZ3 LYS 834 -0.405 -16.982 -5.737 92 H ILE 835 HN ILE 835 -0.457 -9.517 -9.597 93 HA ILE 835 HA ILE 835 1.217 -10.909 -11.361 94 HB ILE 835 HB ILE 835 -0.709 -8.606 -11.678 95 HG12 ILE 835 HG12 ILE 835 -0.685 -11.353 -12.945 96 HG13 ILE 835 HG11 ILE 835 -1.435 -11.021 -11.387 97 HG21 ILE 835 HG21 ILE 835 0.944 -9.823 -13.903 98 HG22 ILE 835 HG22 ILE 835 1.120 -8.187 -13.271 99 HG23 ILE 835 HG23 ILE 835 -0.365 -8.657 -14.101 100 HD11 ILE 835 HD11 ILE 835 -2.203 -9.835 -14.049 101 HD12 ILE 835 HD12 ILE 835 -2.914 -9.380 -12.501 102 HD13 ILE 835 HD13 ILE 835 -3.110 -11.022 -13.112 103 H LEU 836 HN LEU 836 1.240 -7.541 -10.250 104 HA LEU 836 HA LEU 836 3.385 -6.571 -11.756 105 HB2 LEU 836 HB2 LEU 836 1.765 -5.674 -9.604 106 HB3 LEU 836 HB1 LEU 836 3.436 -5.418 -9.136 107 HG LEU 836 HG LEU 836 3.726 -4.226 -11.371 108 HD11 LEU 836 HD11 LEU 836 1.751 -5.084 -12.476 109 HD12 LEU 836 HD12 LEU 836 1.652 -3.328 -12.346 110 HD13 LEU 836 HD13 LEU 836 0.717 -4.348 -11.252 111 HD21 LEU 836 HD21 LEU 836 2.778 -2.141 -10.510 112 HD22 LEU 836 HD22 LEU 836 3.599 -3.043 -9.236 113 HD23 LEU 836 HD23 LEU 836 1.838 -3.053 -9.330 114 H ALA 837 HN ALA 837 3.289 -8.210 -8.653 115 HA ALA 837 HA ALA 837 6.085 -8.014 -8.132 116 HB1 ALA 837 HB1 ALA 837 5.662 -9.346 -6.218 117 HB2 ALA 837 HB2 ALA 837 4.187 -10.011 -6.919 118 HB3 ALA 837 HB3 ALA 837 4.238 -8.322 -6.416 119 H GLY 838 HN GLY 838 4.061 -10.171 -9.929 120 HA2 GLY 838 HA2 GLY 838 4.830 -11.700 -11.531 121 HA3 GLY 838 HA1 GLY 838 6.416 -11.664 -10.772 122 H ASP 839 HN ASP 839 3.103 -12.484 -9.780 123 HA ASP 839 HA ASP 839 2.222 -14.238 -8.629 124 HB2 ASP 839 HB2 ASP 839 3.223 -15.387 -10.705 125 HB3 ASP 839 HB1 ASP 839 4.518 -15.920 -9.637 126 H LYS 840 HN LYS 840 4.207 -12.559 -7.281 127 HA LYS 840 HA LYS 840 5.207 -14.494 -5.289 128 HB2 LYS 840 HB2 LYS 840 6.344 -11.779 -5.983 129 HB3 LYS 840 HB1 LYS 840 6.962 -12.861 -4.744 130 HG2 LYS 840 HG2 LYS 840 7.818 -14.355 -6.288 131 HG3 LYS 840 HG1 LYS 840 6.767 -13.774 -7.584 132 HD2 LYS 840 HD2 LYS 840 8.040 -11.555 -7.336 133 HD3 LYS 840 HD1 LYS 840 9.230 -12.498 -6.438 134 HE2 LYS 840 HE2 LYS 840 9.489 -13.987 -8.369 135 HE3 LYS 840 HE1 LYS 840 8.315 -13.020 -9.264 136 HZ1 LYS 840 HZ1 LYS 840 9.790 -11.120 -9.072 137 HZ2 LYS 840 HZ2 LYS 840 10.578 -12.408 -9.831 138 HZ3 LYS 840 HZ3 LYS 840 10.916 -12.046 -8.214 139 H ASN 841 HN ASN 841 4.903 -14.058 -3.123 140 HA ASN 841 HA ASN 841 2.728 -12.270 -2.494 141 HB2 ASN 841 HB2 ASN 841 3.578 -14.645 -1.428 142 HB3 ASN 841 HB1 ASN 841 4.173 -13.484 -0.245 143 HD21 ASN 841 HD21 ASN 841 2.739 -12.459 1.082 144 HD22 ASN 841 HD22 ASN 841 1.043 -12.791 1.097 145 H TYR 842 HN TYR 842 6.018 -12.009 -2.758 146 HA TYR 842 HA TYR 842 6.052 -9.582 -1.099 147 HB2 TYR 842 HB2 TYR 842 8.719 -10.488 -1.367 148 HB3 TYR 842 HB1 TYR 842 7.755 -10.415 0.101 149 HD1 TYR 842 HD1 TYR 842 9.280 -12.551 -2.369 150 HD2 TYR 842 HD2 TYR 842 6.465 -12.452 0.815 151 HE1 TYR 842 HE1 TYR 842 9.401 -15.002 -2.194 152 HE2 TYR 842 HE2 TYR 842 6.579 -14.902 1.000 153 HH TYR 842 HH TYR 842 8.988 -16.745 -0.517 154 H ILE 843 HN ILE 843 6.815 -7.771 -2.057 155 HA ILE 843 HA ILE 843 7.843 -8.055 -4.802 156 HB ILE 843 HB ILE 843 5.584 -6.990 -4.633 157 HG12 ILE 843 HG12 ILE 843 7.748 -5.120 -5.625 158 HG13 ILE 843 HG11 ILE 843 7.195 -6.546 -6.497 159 HG21 ILE 843 HG21 ILE 843 5.400 -4.719 -3.757 160 HG22 ILE 843 HG22 ILE 843 7.090 -4.765 -3.259 161 HG23 ILE 843 HG23 ILE 843 5.917 -5.837 -2.495 162 HD11 ILE 843 HD11 ILE 843 5.432 -4.229 -5.739 163 HD12 ILE 843 HD12 ILE 843 5.009 -5.604 -6.759 164 HD13 ILE 843 HD13 ILE 843 6.207 -4.434 -7.310 165 H THR 844 HN THR 844 9.419 -6.497 -5.499 166 HA THR 844 HA THR 844 11.417 -5.994 -3.540 167 HB THR 844 HB THR 844 11.831 -4.490 -5.971 168 HG1 THR 844 HG1 THR 844 11.905 -6.877 -7.000 169 HG21 THR 844 HG21 THR 844 13.795 -5.912 -6.141 170 HG22 THR 844 HG22 THR 844 13.133 -7.004 -4.924 171 HG23 THR 844 HG23 THR 844 13.591 -5.358 -4.478 172 H MET 845 HN MET 845 12.029 -4.119 -2.588 173 HA MET 845 HA MET 845 10.018 -2.195 -2.060 174 HB2 MET 845 HB2 MET 845 11.571 -1.100 -0.649 175 HB3 MET 845 HB1 MET 845 11.921 -2.816 -0.530 176 HG2 MET 845 HG2 MET 845 13.829 -2.558 -2.003 177 HG3 MET 845 HG1 MET 845 13.458 -0.845 -2.208 178 HE1 MET 845 HE1 MET 845 14.097 -3.616 0.366 179 HE2 MET 845 HE2 MET 845 15.272 -2.897 1.465 180 HE3 MET 845 HE3 MET 845 15.730 -3.263 -0.199 181 H ASP 846 HN ASP 846 12.820 -2.122 -4.208 182 HA ASP 846 HA ASP 846 12.452 0.607 -4.989 183 HB2 ASP 846 HB2 ASP 846 14.635 -0.669 -5.098 184 HB3 ASP 846 HB1 ASP 846 13.976 -1.535 -6.481 185 H GLU 847 HN GLU 847 11.433 -2.522 -6.244 186 HA GLU 847 HA GLU 847 10.548 -1.710 -8.773 187 HB2 GLU 847 HB2 GLU 847 10.528 -4.080 -7.324 188 HB3 GLU 847 HB1 GLU 847 8.827 -3.720 -7.565 189 HG2 GLU 847 HG2 GLU 847 10.825 -3.751 -9.808 190 HG3 GLU 847 HG1 GLU 847 9.899 -5.168 -9.314 191 H LEU 848 HN LEU 848 8.666 -2.022 -5.740 192 HA LEU 848 HA LEU 848 6.285 -0.989 -6.859 193 HB2 LEU 848 HB2 LEU 848 5.378 -1.055 -4.731 194 HB3 LEU 848 HB1 LEU 848 6.577 -2.330 -4.697 195 HG LEU 848 HG LEU 848 7.971 -0.130 -3.755 196 HD11 LEU 848 HD11 LEU 848 5.711 1.007 -3.642 197 HD12 LEU 848 HD12 LEU 848 6.652 0.975 -2.152 198 HD13 LEU 848 HD13 LEU 848 5.306 -0.144 -2.370 199 HD21 LEU 848 HD21 LEU 848 6.510 -2.293 -2.257 200 HD22 LEU 848 HD22 LEU 848 7.764 -1.259 -1.574 201 HD23 LEU 848 HD23 LEU 848 8.155 -2.369 -2.888 202 H ARG 849 HN ARG 849 9.106 0.462 -5.483 203 HA ARG 849 HA ARG 849 8.025 3.077 -5.113 204 HB2 ARG 849 HB2 ARG 849 10.071 2.174 -3.970 205 HB3 ARG 849 HB1 ARG 849 10.917 2.294 -5.506 206 HG2 ARG 849 HG2 ARG 849 10.860 4.632 -5.484 207 HG3 ARG 849 HG1 ARG 849 9.600 4.677 -4.247 208 HD2 ARG 849 HD2 ARG 849 11.879 5.258 -3.416 209 HD3 ARG 849 HD1 ARG 849 11.120 3.907 -2.575 210 HE ARG 849 HE ARG 849 12.819 3.107 -4.755 211 HH11 ARG 849 HH11 ARG 849 12.710 3.937 -1.374 212 HH12 ARG 849 HH12 ARG 849 14.148 3.056 -0.979 213 HH21 ARG 849 HH21 ARG 849 14.722 1.962 -4.248 214 HH22 ARG 849 HH22 ARG 849 15.291 1.935 -2.612 215 H ARG 850 HN ARG 850 9.300 1.296 -7.772 216 HA ARG 850 HA ARG 850 9.679 3.622 -9.452 217 HB2 ARG 850 HB2 ARG 850 10.421 0.829 -9.521 218 HB3 ARG 850 HB1 ARG 850 9.646 1.283 -11.034 219 HG2 ARG 850 HG2 ARG 850 12.037 1.545 -11.223 220 HG3 ARG 850 HG1 ARG 850 11.261 3.127 -11.293 221 HD2 ARG 850 HD2 ARG 850 12.274 2.053 -8.688 222 HD3 ARG 850 HD1 ARG 850 13.390 2.795 -9.832 223 HE ARG 850 HE ARG 850 11.257 4.548 -9.499 224 HH11 ARG 850 HH11 ARG 850 13.923 4.562 -6.510 225 HH12 ARG 850 HH12 ARG 850 13.828 3.191 -7.566 226 HH21 ARG 850 HH21 ARG 850 11.379 6.343 -8.099 227 HH22 ARG 850 HH22 ARG 850 12.536 6.345 -6.810 228 H GLU 851 HN GLU 851 7.212 1.399 -8.619 229 HA GLU 851 HA GLU 851 5.554 1.921 -10.941 230 HB2 GLU 851 HB2 GLU 851 5.086 0.355 -8.397 231 HB3 GLU 851 HB1 GLU 851 3.879 0.533 -9.664 232 HG2 GLU 851 HG2 GLU 851 6.582 -0.757 -9.958 233 HG3 GLU 851 HG1 GLU 851 5.027 -1.588 -9.870 234 H LEU 852 HN LEU 852 4.916 2.149 -7.462 235 HA LEU 852 HA LEU 852 2.935 4.200 -7.825 236 HB2 LEU 852 HB2 LEU 852 4.176 3.177 -5.266 237 HB3 LEU 852 HB1 LEU 852 2.691 4.096 -5.408 238 HG LEU 852 HG LEU 852 3.040 1.348 -6.595 239 HD11 LEU 852 HD11 LEU 852 3.335 1.259 -4.156 240 HD12 LEU 852 HD12 LEU 852 1.823 0.502 -4.660 241 HD13 LEU 852 HD13 LEU 852 1.808 2.115 -3.948 242 HD21 LEU 852 HD21 LEU 852 0.607 1.380 -6.672 243 HD22 LEU 852 HD22 LEU 852 1.270 2.746 -7.568 244 HD23 LEU 852 HD23 LEU 852 0.592 2.992 -5.959 245 HA PRO 853 HA PRO 853 5.411 7.841 -7.461 246 HB2 PRO 853 HB2 PRO 853 3.764 9.236 -5.662 247 HB3 PRO 853 HB1 PRO 853 3.651 9.288 -7.425 248 HG2 PRO 853 HG2 PRO 853 2.037 7.741 -5.484 249 HG3 PRO 853 HG1 PRO 853 1.572 8.419 -7.055 250 HD2 PRO 853 HD2 PRO 853 2.004 5.787 -6.711 251 HD3 PRO 853 HD1 PRO 853 2.392 6.619 -8.230 252 HA PRO 854 HA PRO 854 8.242 7.285 -4.106 253 HB2 PRO 854 HB2 PRO 854 7.942 10.271 -3.994 254 HB3 PRO 854 HB1 PRO 854 9.415 9.291 -3.917 255 HG2 PRO 854 HG2 PRO 854 8.720 10.477 -6.182 256 HG3 PRO 854 HG1 PRO 854 9.418 8.845 -6.179 257 HD2 PRO 854 HD2 PRO 854 6.645 9.692 -6.733 258 HD3 PRO 854 HD1 PRO 854 7.512 8.237 -7.259 259 H ASP 855 HN ASP 855 5.742 9.771 -3.510 260 HA ASP 855 HA ASP 855 5.800 9.740 -0.720 261 HB2 ASP 855 HB2 ASP 855 3.418 10.265 -2.511 262 HB3 ASP 855 HB1 ASP 855 3.571 10.756 -0.826 263 H GLN 856 HN GLN 856 3.759 7.875 -2.938 264 HA GLN 856 HA GLN 856 2.359 6.523 -0.831 265 HB2 GLN 856 HB2 GLN 856 2.264 6.602 -3.744 266 HB3 GLN 856 HB1 GLN 856 1.998 4.990 -3.098 267 HG2 GLN 856 HG2 GLN 856 -0.117 6.087 -3.369 268 HG3 GLN 856 HG1 GLN 856 0.217 5.898 -1.649 269 HE21 GLN 856 HE21 GLN 856 -0.039 8.135 -4.292 270 HE22 GLN 856 HE22 GLN 856 -0.107 9.572 -3.335 271 H ALA 857 HN ALA 857 5.008 5.734 -3.000 272 HA ALA 857 HA ALA 857 5.357 3.043 -2.371 273 HB1 ALA 857 HB1 ALA 857 7.621 3.262 -3.179 274 HB2 ALA 857 HB2 ALA 857 7.538 5.016 -3.020 275 HB3 ALA 857 HB3 ALA 857 6.528 4.189 -4.207 276 H GLU 858 HN GLU 858 6.971 5.862 -0.863 277 HA GLU 858 HA GLU 858 8.431 4.445 1.048 278 HB2 GLU 858 HB2 GLU 858 7.284 7.236 1.135 279 HB3 GLU 858 HB1 GLU 858 8.358 6.596 2.371 280 HG2 GLU 858 HG2 GLU 858 8.998 7.012 -0.540 281 HG3 GLU 858 HG1 GLU 858 9.627 7.927 0.829 282 H TYR 859 HN TYR 859 5.125 5.703 1.161 283 HA TYR 859 HA TYR 859 4.603 5.020 3.852 284 HB2 TYR 859 HB2 TYR 859 3.176 6.581 2.636 285 HB3 TYR 859 HB1 TYR 859 2.702 5.308 1.515 286 HD1 TYR 859 HD1 TYR 859 2.676 6.085 5.162 287 HD2 TYR 859 HD2 TYR 859 0.736 4.144 1.910 288 HE1 TYR 859 HE1 TYR 859 0.808 5.485 6.643 289 HE2 TYR 859 HE2 TYR 859 -1.140 3.544 3.381 290 HH TYR 859 HH TYR 859 -1.560 4.898 6.469 291 H CYS 860 HN CYS 860 4.059 3.291 0.805 292 HA CYS 860 HA CYS 860 2.828 0.997 1.874 293 HB2 CYS 860 HB2 CYS 860 4.453 1.417 -0.644 294 HB3 CYS 860 HB1 CYS 860 3.674 -0.112 -0.255 295 HG CYS 860 HG CYS 860 2.046 2.858 -0.743 296 H ILE 861 HN ILE 861 6.227 1.742 1.186 297 HA ILE 861 HA ILE 861 7.348 -0.728 1.826 298 HB ILE 861 HB ILE 861 8.445 2.074 1.966 299 HG12 ILE 861 HG12 ILE 861 9.142 -0.208 0.103 300 HG13 ILE 861 HG11 ILE 861 7.910 0.995 -0.257 301 HG21 ILE 861 HG21 ILE 861 10.113 -0.415 2.273 302 HG22 ILE 861 HG22 ILE 861 9.561 0.556 3.636 303 HG23 ILE 861 HG23 ILE 861 10.629 1.266 2.426 304 HD11 ILE 861 HD11 ILE 861 9.867 1.663 -1.384 305 HD12 ILE 861 HD12 ILE 861 10.866 1.409 0.046 306 HD13 ILE 861 HD13 ILE 861 9.707 2.739 0.003 307 H ALA 862 HN ALA 862 6.708 2.086 3.891 308 HA ALA 862 HA ALA 862 7.782 0.906 6.245 309 HB1 ALA 862 HB1 ALA 862 7.613 3.325 5.962 310 HB2 ALA 862 HB2 ALA 862 6.772 2.787 7.417 311 HB3 ALA 862 HB3 ALA 862 5.853 3.203 5.970 312 H ARG 863 HN ARG 863 4.699 0.672 4.675 313 HA ARG 863 HA ARG 863 3.405 -0.341 7.081 314 HB2 ARG 863 HB2 ARG 863 2.444 0.498 4.379 315 HB3 ARG 863 HB1 ARG 863 1.448 -0.577 5.355 316 HG2 ARG 863 HG2 ARG 863 2.496 2.039 6.385 317 HG3 ARG 863 HG1 ARG 863 0.957 1.888 5.534 318 HD2 ARG 863 HD2 ARG 863 1.380 -0.018 7.738 319 HD3 ARG 863 HD1 ARG 863 1.251 1.673 8.219 320 HE ARG 863 HE ARG 863 -0.849 1.206 6.487 321 HH11 ARG 863 HH11 ARG 863 -1.376 -0.437 10.105 322 HH12 ARG 863 HH12 ARG 863 0.223 -0.058 9.560 323 HH21 ARG 863 HH21 ARG 863 -2.958 0.713 7.214 324 HH22 ARG 863 HH22 ARG 863 -3.178 -0.001 8.776 325 H MET 864 HN MET 864 5.272 -1.612 4.635 326 HA MET 864 HA MET 864 3.822 -4.114 4.386 327 HB2 MET 864 HB2 MET 864 6.437 -3.116 3.271 328 HB3 MET 864 HB1 MET 864 5.976 -4.806 3.141 329 HG2 MET 864 HG2 MET 864 3.957 -4.158 1.921 330 HG3 MET 864 HG1 MET 864 4.427 -2.466 2.048 331 HE1 MET 864 HE1 MET 864 3.519 -3.434 -0.338 332 HE2 MET 864 HE2 MET 864 4.635 -3.867 -1.632 333 HE3 MET 864 HE3 MET 864 4.574 -2.207 -1.040 334 H ALA 865 HN ALA 865 5.068 -6.196 4.830 335 HA ALA 865 HA ALA 865 6.583 -5.889 7.345 336 HB1 ALA 865 HB1 ALA 865 5.613 -8.282 7.751 337 HB2 ALA 865 HB2 ALA 865 4.390 -7.769 6.590 338 HB3 ALA 865 HB3 ALA 865 4.621 -6.862 8.084 339 HA PRO 866 HA PRO 866 9.973 -7.989 5.492 340 HB2 PRO 866 HB2 PRO 866 10.587 -9.819 7.488 341 HB3 PRO 866 HB1 PRO 866 11.144 -8.141 7.427 342 HG2 PRO 866 HG2 PRO 866 8.865 -9.312 8.949 343 HG3 PRO 866 HG1 PRO 866 10.017 -8.050 9.435 344 HD2 PRO 866 HD2 PRO 866 7.536 -7.422 8.682 345 HD3 PRO 866 HD1 PRO 866 8.920 -6.399 8.237 346 H TYR 867 HN TYR 867 9.218 -9.039 3.814 347 HA TYR 867 HA TYR 867 7.904 -10.610 2.672 348 HB2 TYR 867 HB2 TYR 867 9.641 -12.531 2.282 349 HB3 TYR 867 HB1 TYR 867 9.907 -10.911 1.678 350 HD1 TYR 867 HD1 TYR 867 10.956 -9.508 4.020 351 HD2 TYR 867 HD2 TYR 867 11.747 -13.470 2.650 352 HE1 TYR 867 HE1 TYR 867 13.150 -9.435 5.120 353 HE2 TYR 867 HE2 TYR 867 13.937 -13.400 3.775 354 HH TYR 867 HH TYR 867 15.573 -11.739 4.544 355 H THR 868 HN THR 868 9.501 -12.766 5.130 356 HA THR 868 HA THR 868 8.646 -14.501 6.312 357 HB THR 868 HB THR 868 5.923 -13.349 5.658 358 HG1 THR 868 HG1 THR 868 6.273 -11.907 7.188 359 HG21 THR 868 HG21 THR 868 5.168 -14.489 7.659 360 HG22 THR 868 HG22 THR 868 6.807 -15.038 8.008 361 HG23 THR 868 HG23 THR 868 5.947 -15.666 6.603 362 H GLY 869 HN GLY 869 9.299 -16.163 4.957 363 HA2 GLY 869 HA2 GLY 869 7.266 -17.749 3.828 364 HA3 GLY 869 HA1 GLY 869 8.080 -16.884 2.542 365 HA PRO 870 HA PRO 870 10.388 -20.869 3.559 366 HB2 PRO 870 HB2 PRO 870 9.947 -22.165 1.240 367 HB3 PRO 870 HB1 PRO 870 8.800 -22.231 2.587 368 HG2 PRO 870 HG2 PRO 870 8.703 -20.544 0.123 369 HG3 PRO 870 HG1 PRO 870 7.401 -21.464 0.905 370 HD2 PRO 870 HD2 PRO 870 7.702 -18.792 1.239 371 HD3 PRO 870 HD1 PRO 870 7.033 -19.852 2.497 372 H ASP 871 HN ASP 871 10.642 -18.258 1.700 373 HA ASP 871 HA ASP 871 13.329 -18.900 0.823 374 HB2 ASP 871 HB2 ASP 871 12.120 -19.458 -1.174 375 HB3 ASP 871 HB1 ASP 871 11.183 -17.969 -1.085 376 H SER 872 HN SER 872 14.400 -17.441 1.876 377 HA SER 872 HA SER 872 13.362 -14.890 2.586 378 HB2 SER 872 HB2 SER 872 15.002 -16.082 3.977 379 HB3 SER 872 HB1 SER 872 16.206 -15.954 2.696 380 HG SER 872 HG SER 872 16.483 -13.876 3.150 381 H VAL 873 HN VAL 873 12.890 -13.598 0.966 382 HA VAL 873 HA VAL 873 14.618 -13.261 -1.325 383 HB VAL 873 HB VAL 873 12.800 -11.655 -2.049 384 HG11 VAL 873 HG11 VAL 873 12.844 -13.996 -2.770 385 HG12 VAL 873 HG12 VAL 873 11.189 -13.437 -2.530 386 HG13 VAL 873 HG13 VAL 873 11.960 -14.458 -1.313 387 HG21 VAL 873 HG21 VAL 873 12.025 -11.180 0.297 388 HG22 VAL 873 HG22 VAL 873 11.304 -12.790 0.320 389 HG23 VAL 873 HG23 VAL 873 10.733 -11.581 -0.844 390 HA PRO 874 HA PRO 874 16.534 -9.708 0.604 391 HB2 PRO 874 HB2 PRO 874 18.488 -9.353 -1.196 392 HB3 PRO 874 HB1 PRO 874 18.501 -10.716 -0.068 393 HG2 PRO 874 HG2 PRO 874 17.857 -10.677 -2.956 394 HG3 PRO 874 HG1 PRO 874 18.596 -11.956 -1.979 395 HD2 PRO 874 HD2 PRO 874 15.906 -11.821 -2.776 396 HD3 PRO 874 HD1 PRO 874 16.596 -12.914 -1.562 397 H GLY 875 HN GLY 875 15.974 -7.646 0.489 398 HA2 GLY 875 HA2 GLY 875 15.548 -5.556 -0.399 399 HA3 GLY 875 HA1 GLY 875 15.866 -6.206 -1.998 400 H ALA 876 HN ALA 876 13.677 -8.183 -0.510 401 HA ALA 876 HA ALA 876 11.396 -6.716 -1.656 402 HB1 ALA 876 HB1 ALA 876 10.435 -8.884 -2.295 403 HB2 ALA 876 HB2 ALA 876 11.878 -9.693 -1.687 404 HB3 ALA 876 HB3 ALA 876 11.994 -8.609 -3.072 405 H LEU 877 HN LEU 877 9.460 -6.812 -0.538 406 HA LEU 877 HA LEU 877 9.507 -8.137 2.082 407 HB2 LEU 877 HB2 LEU 877 9.635 -5.361 1.646 408 HB3 LEU 877 HB1 LEU 877 7.996 -5.688 2.177 409 HG LEU 877 HG LEU 877 8.960 -6.918 4.143 410 HD11 LEU 877 HD11 LEU 877 11.523 -5.630 3.219 411 HD12 LEU 877 HD12 LEU 877 11.179 -7.357 3.198 412 HD13 LEU 877 HD13 LEU 877 11.283 -6.496 4.735 413 HD21 LEU 877 HD21 LEU 877 9.652 -4.810 5.314 414 HD22 LEU 877 HD22 LEU 877 8.116 -4.700 4.453 415 HD23 LEU 877 HD23 LEU 877 9.572 -3.988 3.756 416 H ASP 878 HN ASP 878 7.427 -8.618 2.967 417 HA ASP 878 HA ASP 878 5.606 -9.656 1.087 418 HB2 ASP 878 HB2 ASP 878 5.896 -10.543 3.375 419 HB3 ASP 878 HB1 ASP 878 5.118 -9.098 4.017 420 H TYR 879 HN TYR 879 4.337 -8.500 -0.210 421 HA TYR 879 HA TYR 879 3.488 -5.850 0.479 422 HB2 TYR 879 HB2 TYR 879 2.762 -5.649 -1.709 423 HB3 TYR 879 HB1 TYR 879 4.061 -6.821 -1.855 424 HD1 TYR 879 HD1 TYR 879 0.428 -6.318 -2.009 425 HD2 TYR 879 HD2 TYR 879 3.587 -9.127 -2.458 426 HE1 TYR 879 HE1 TYR 879 -1.111 -7.862 -3.141 427 HE2 TYR 879 HE2 TYR 879 2.058 -10.679 -3.591 428 HH TYR 879 HH TYR 879 -0.359 -11.131 -3.697 429 H MET 880 HN MET 880 2.086 -9.016 0.634 430 HA MET 880 HA MET 880 -0.637 -8.428 0.667 431 HB2 MET 880 HB2 MET 880 0.087 -10.704 0.549 432 HB3 MET 880 HB1 MET 880 0.961 -10.575 2.068 433 HG2 MET 880 HG2 MET 880 -1.252 -10.223 3.198 434 HG3 MET 880 HG1 MET 880 -2.020 -10.616 1.663 435 HE1 MET 880 HE1 MET 880 1.241 -12.681 3.377 436 HE2 MET 880 HE2 MET 880 0.129 -13.298 4.599 437 HE3 MET 880 HE3 MET 880 0.317 -11.558 4.376 438 H SER 881 HN SER 881 1.807 -8.057 3.114 439 HA SER 881 HA SER 881 0.121 -7.697 5.358 440 HB2 SER 881 HB2 SER 881 2.930 -6.763 4.778 441 HB3 SER 881 HB1 SER 881 2.123 -6.462 6.317 442 HG SER 881 HG SER 881 2.614 -9.002 5.147 443 H PHE 882 HN PHE 882 1.186 -5.514 2.822 444 HA PHE 882 HA PHE 882 0.410 -3.104 4.118 445 HB2 PHE 882 HB2 PHE 882 1.940 -2.947 2.258 446 HB3 PHE 882 HB1 PHE 882 0.792 -3.748 1.186 447 HD1 PHE 882 HD1 PHE 882 1.164 -0.739 3.310 448 HD2 PHE 882 HD2 PHE 882 -0.652 -2.465 -0.117 449 HE1 PHE 882 HE1 PHE 882 0.212 1.452 2.727 450 HE2 PHE 882 HE2 PHE 882 -1.606 -0.276 -0.719 451 HZ PHE 882 HZ PHE 882 -1.176 1.689 0.706 452 H SER 883 HN SER 883 -1.138 -5.106 1.631 453 HA SER 883 HA SER 883 -3.516 -3.611 1.456 454 HB2 SER 883 HB2 SER 883 -3.416 -6.565 0.919 455 HB3 SER 883 HB1 SER 883 -4.276 -5.301 0.036 456 HG SER 883 HG SER 883 -2.520 -4.863 -1.075 457 H THR 884 HN THR 884 -2.571 -6.333 3.497 458 HA THR 884 HA THR 884 -5.127 -6.855 4.596 459 HB THR 884 HB THR 884 -2.372 -7.368 5.758 460 HG1 THR 884 HG1 THR 884 -4.160 -9.060 4.312 461 HG21 THR 884 HG21 THR 884 -3.455 -8.994 7.207 462 HG22 THR 884 HG22 THR 884 -5.028 -8.574 6.531 463 HG23 THR 884 HG23 THR 884 -4.132 -7.388 7.478 464 H ALA 885 HN ALA 885 -2.435 -4.785 5.572 465 HA ALA 885 HA ALA 885 -3.590 -3.904 8.013 466 HB1 ALA 885 HB1 ALA 885 -1.467 -2.586 6.322 467 HB2 ALA 885 HB2 ALA 885 -1.179 -3.809 7.560 468 HB3 ALA 885 HB3 ALA 885 -1.822 -2.229 8.013 469 H LEU 886 HN LEU 886 -3.869 -2.889 4.697 470 HA LEU 886 HA LEU 886 -5.100 -0.347 5.288 471 HB2 LEU 886 HB2 LEU 886 -3.747 -0.750 3.237 472 HB3 LEU 886 HB1 LEU 886 -4.968 -1.881 2.685 473 HG LEU 886 HG LEU 886 -6.436 0.401 3.154 474 HD11 LEU 886 HD11 LEU 886 -3.815 1.205 1.901 475 HD12 LEU 886 HD12 LEU 886 -4.384 1.696 3.495 476 HD13 LEU 886 HD13 LEU 886 -5.251 2.216 2.051 477 HD21 LEU 886 HD21 LEU 886 -6.420 0.601 0.663 478 HD22 LEU 886 HD22 LEU 886 -6.773 -1.019 1.263 479 HD23 LEU 886 HD23 LEU 886 -5.171 -0.643 0.626 480 H TYR 887 HN TYR 887 -6.094 -3.608 4.741 481 HA TYR 887 HA TYR 887 -8.771 -3.202 3.972 482 HB2 TYR 887 HB2 TYR 887 -7.999 -5.365 3.595 483 HB3 TYR 887 HB1 TYR 887 -7.236 -5.476 5.176 484 HD1 TYR 887 HD1 TYR 887 -8.306 -6.619 6.898 485 HD2 TYR 887 HD2 TYR 887 -10.585 -5.293 3.560 486 HE1 TYR 887 HE1 TYR 887 -10.263 -7.831 7.760 487 HE2 TYR 887 HE2 TYR 887 -12.547 -6.502 4.412 488 HH TYR 887 HH TYR 887 -12.720 -7.740 7.555 489 H GLY 888 HN GLY 888 -7.209 -3.363 7.119 490 HA2 GLY 888 HA2 GLY 888 -9.714 -3.366 8.563 491 HA3 GLY 888 HA1 GLY 888 -8.105 -3.268 9.260 492 H GLU 889 HN GLU 889 -10.834 -1.517 8.087 493 HA GLU 889 HA GLU 889 -9.565 1.071 8.365 494 HB2 GLU 889 HB2 GLU 889 -11.494 0.291 6.726 495 HB3 GLU 889 HB1 GLU 889 -12.520 0.748 8.081 496 HG2 GLU 889 HG2 GLU 889 -11.451 2.990 8.062 497 HG3 GLU 889 HG1 GLU 889 -10.574 2.515 6.609 498 H SER 890 HN SER 890 -10.559 2.747 9.767 499 HA SER 890 HA SER 890 -10.793 1.743 12.448 500 HB2 SER 890 HB2 SER 890 -11.090 4.570 11.396 501 HB3 SER 890 HB1 SER 890 -10.923 4.115 13.091 502 HG SER 890 HG SER 890 -8.896 3.002 12.113 503 H ASP 891 HN ASP 891 -12.936 3.310 10.123 504 HA ASP 891 HA ASP 891 -15.230 2.446 11.744 505 HB2 ASP 891 HB2 ASP 891 -14.931 4.881 11.975 506 HB3 ASP 891 HB1 ASP 891 -14.985 5.059 10.227 507 H LEU 892 HN LEU 892 -15.538 0.625 10.543 508 HA LEU 892 HA LEU 892 -17.037 0.936 8.122 509 HB2 LEU 892 HB2 LEU 892 -14.739 0.947 7.221 510 HB3 LEU 892 HB1 LEU 892 -14.428 -0.591 8.008 511 HG LEU 892 HG LEU 892 -16.243 -1.599 6.608 512 HD11 LEU 892 HD11 LEU 892 -16.093 1.033 5.143 513 HD12 LEU 892 HD12 LEU 892 -17.457 0.471 6.109 514 HD13 LEU 892 HD13 LEU 892 -17.003 -0.390 4.638 515 HD21 LEU 892 HD21 LEU 892 -13.864 -1.809 6.028 516 HD22 LEU 892 HD22 LEU 892 -13.974 -0.324 5.083 517 HD23 LEU 892 HD23 LEU 892 -14.892 -1.749 4.595 518 H1 GLY1646 HT1 GLY1646 -2.557 -7.273 -18.321 519 H2 GLY1646 HT2 GLY1646 -2.784 -5.717 -17.697 520 H3 GLY1646 HT3 GLY1646 -2.491 -7.014 -16.650 521 HA2 GLY1646 HA1 GLY1646 -0.284 -7.305 -17.603 522 HA3 GLY1646 HA2 GLY1646 -0.588 -5.922 -18.641 523 H LYS1647 HN LYS1647 1.212 -4.824 -17.777 524 HA LYS1647 HA LYS1647 1.497 -4.296 -14.991 525 HB2 LYS1647 HB2 LYS1647 2.899 -3.567 -17.472 526 HB3 LYS1647 HB1 LYS1647 3.000 -2.364 -16.195 527 HG2 LYS1647 HG2 LYS1647 3.627 -5.236 -15.631 528 HG3 LYS1647 HG1 LYS1647 4.829 -4.175 -16.367 529 HD2 LYS1647 HD2 LYS1647 4.548 -2.610 -14.463 530 HD3 LYS1647 HD1 LYS1647 3.445 -3.765 -13.716 531 HE2 LYS1647 HE2 LYS1647 5.151 -5.359 -13.409 532 HE3 LYS1647 HE1 LYS1647 6.241 -4.517 -14.509 533 HZ1 LYS1647 HZ1 LYS1647 6.903 -4.156 -12.232 534 HZ2 LYS1647 HZ2 LYS1647 5.372 -3.556 -11.834 535 HZ3 LYS1647 HZ3 LYS1647 6.365 -2.693 -12.898 536 H PHE1648 HN PHE1648 0.918 -2.004 -17.646 537 HA PHE1648 HA PHE1648 0.291 0.208 -16.112 538 HB2 PHE1648 HB2 PHE1648 -0.515 -0.549 -18.909 539 HB3 PHE1648 HB1 PHE1648 -0.899 1.017 -18.203 540 HD1 PHE1648 HD1 PHE1648 1.081 2.362 -17.253 541 HD2 PHE1648 HD2 PHE1648 1.501 -0.862 -19.997 542 HE1 PHE1648 HE1 PHE1648 3.296 3.211 -17.903 543 HE2 PHE1648 HE2 PHE1648 3.719 -0.023 -20.651 544 HZ PHE1648 HZ PHE1648 4.620 2.017 -19.603 545 H TYR1649 HN TYR1649 -1.879 -2.360 -17.178 546 HA TYR1649 HA TYR1649 -4.277 -0.979 -16.471 547 HB2 TYR1649 HB2 TYR1649 -4.202 -2.810 -18.144 548 HB3 TYR1649 HB1 TYR1649 -3.841 -3.948 -16.851 549 HD1 TYR1649 HD1 TYR1649 -5.597 -5.105 -15.877 550 HD2 TYR1649 HD2 TYR1649 -6.392 -1.390 -17.788 551 HE1 TYR1649 HE1 TYR1649 -8.005 -5.426 -15.483 552 HE2 TYR1649 HE2 TYR1649 -8.801 -1.700 -17.401 553 HH TYR1649 HH TYR1649 -10.378 -3.558 -17.003 554 H ALA1650 HN ALA1650 -2.137 -3.201 -14.803 555 HA ALA1650 HA ALA1650 -3.840 -3.767 -12.603 556 HB1 ALA1650 HB1 ALA1650 -0.953 -4.101 -13.196 557 HB2 ALA1650 HB2 ALA1650 -2.168 -5.317 -12.799 558 HB3 ALA1650 HB3 ALA1650 -1.502 -4.278 -11.536 559 H THR1651 HN THR1651 -1.256 -1.386 -13.115 560 HA THR1651 HA THR1651 -1.350 -0.360 -10.455 561 HB THR1651 HB THR1651 -0.181 1.674 -11.629 562 HG1 THR1651 HG1 THR1651 0.542 -0.233 -13.551 563 HG21 THR1651 HG21 THR1651 1.962 0.483 -11.536 564 HG22 THR1651 HG22 THR1651 1.100 -1.056 -11.478 565 HG23 THR1651 HG23 THR1651 0.945 0.095 -10.150 566 H PHE1652 HN PHE1652 -3.003 0.342 -13.428 567 HA PHE1652 HA PHE1652 -4.102 2.857 -12.759 568 HB2 PHE1652 HB2 PHE1652 -4.161 2.200 -15.044 569 HB3 PHE1652 HB1 PHE1652 -4.927 0.665 -14.659 570 HD1 PHE1652 HD1 PHE1652 -5.512 4.327 -14.679 571 HD2 PHE1652 HD2 PHE1652 -7.242 0.438 -14.746 572 HE1 PHE1652 HE1 PHE1652 -7.712 5.318 -15.165 573 HE2 PHE1652 HE2 PHE1652 -9.445 1.421 -15.230 574 HZ PHE1652 HZ PHE1652 -9.681 3.865 -15.443 575 H LEU1653 HN LEU1653 -5.123 -0.463 -12.217 576 HA LEU1653 HA LEU1653 -7.683 0.149 -11.127 577 HB2 LEU1653 HB2 LEU1653 -5.927 -2.271 -11.215 578 HB3 LEU1653 HB1 LEU1653 -7.311 -2.262 -10.141 579 HG LEU1653 HG LEU1653 -7.436 -1.838 -13.126 580 HD11 LEU1653 HD11 LEU1653 -8.437 -4.074 -13.186 581 HD12 LEU1653 HD12 LEU1653 -8.147 -4.251 -11.457 582 HD13 LEU1653 HD13 LEU1653 -6.785 -4.123 -12.571 583 HD21 LEU1653 HD21 LEU1653 -9.252 -0.695 -12.106 584 HD22 LEU1653 HD22 LEU1653 -9.552 -2.028 -10.993 585 HD23 LEU1653 HD23 LEU1653 -9.893 -2.223 -12.713 586 H ILE1654 HN ILE1654 -4.453 -0.214 -9.789 587 HA ILE1654 HA ILE1654 -5.177 -0.318 -7.050 588 HB ILE1654 HB ILE1654 -2.631 0.792 -8.254 589 HG12 ILE1654 HG12 ILE1654 -3.271 -2.012 -7.305 590 HG13 ILE1654 HG11 ILE1654 -3.052 -1.517 -8.981 591 HG21 ILE1654 HG21 ILE1654 -3.124 -0.307 -5.487 592 HG22 ILE1654 HG22 ILE1654 -3.056 1.408 -5.888 593 HG23 ILE1654 HG23 ILE1654 -1.625 0.398 -6.097 594 HD11 ILE1654 HD11 ILE1654 -0.727 -0.952 -8.519 595 HD12 ILE1654 HD12 ILE1654 -1.070 -2.633 -8.112 596 HD13 ILE1654 HD13 ILE1654 -0.941 -1.425 -6.834 597 H GLN1655 HN GLN1655 -4.289 2.326 -9.221 598 HA GLN1655 HA GLN1655 -4.511 4.425 -7.334 599 HB2 GLN1655 HB2 GLN1655 -4.708 4.431 -10.351 600 HB3 GLN1655 HB1 GLN1655 -4.624 5.884 -9.366 601 HG2 GLN1655 HG2 GLN1655 -2.420 5.335 -8.625 602 HG3 GLN1655 HG1 GLN1655 -2.510 3.745 -9.383 603 HE21 GLN1655 HE21 GLN1655 -2.189 7.167 -9.929 604 HE22 GLN1655 HE22 GLN1655 -1.612 7.056 -11.554 605 H GLU1656 HN GLU1656 -6.778 2.843 -9.483 606 HA GLU1656 HA GLU1656 -8.905 4.701 -9.220 607 HB2 GLU1656 HB2 GLU1656 -8.653 2.943 -11.023 608 HB3 GLU1656 HB1 GLU1656 -9.144 1.752 -9.827 609 HG2 GLU1656 HG2 GLU1656 -11.022 2.372 -11.221 610 HG3 GLU1656 HG1 GLU1656 -11.293 2.900 -9.561 611 H TYR1657 HN TYR1657 -7.876 1.892 -7.391 612 HA TYR1657 HA TYR1657 -10.180 1.594 -5.779 613 HB2 TYR1657 HB2 TYR1657 -8.555 -0.198 -5.956 614 HB3 TYR1657 HB1 TYR1657 -7.292 0.830 -5.292 615 HD1 TYR1657 HD1 TYR1657 -6.647 0.126 -3.199 616 HD2 TYR1657 HD2 TYR1657 -10.776 -0.036 -4.219 617 HE1 TYR1657 HE1 TYR1657 -7.166 -0.707 -0.948 618 HE2 TYR1657 HE2 TYR1657 -11.305 -0.869 -1.965 619 HH TYR1657 HH TYR1657 -10.151 -2.060 -0.128 620 H PHE1658 HN PHE1658 -7.200 3.442 -5.415 621 HA PHE1658 HA PHE1658 -7.663 4.389 -2.792 622 HB2 PHE1658 HB2 PHE1658 -5.908 5.217 -5.068 623 HB3 PHE1658 HB1 PHE1658 -6.092 6.310 -3.701 624 HD1 PHE1658 HD1 PHE1658 -5.727 5.214 -1.354 625 HD2 PHE1658 HD2 PHE1658 -4.231 3.638 -5.011 626 HE1 PHE1658 HE1 PHE1658 -4.010 3.972 -0.108 627 HE2 PHE1658 HE2 PHE1658 -2.510 2.388 -3.773 628 HZ PHE1658 HZ PHE1658 -2.397 2.553 -1.317 629 H ARG1659 HN ARG1659 -8.524 5.633 -5.973 630 HA ARG1659 HA ARG1659 -9.531 8.136 -5.106 631 HB2 ARG1659 HB2 ARG1659 -9.507 6.575 -7.600 632 HB3 ARG1659 HB1 ARG1659 -10.884 7.654 -7.425 633 HG2 ARG1659 HG2 ARG1659 -9.632 9.373 -8.036 634 HG3 ARG1659 HG1 ARG1659 -8.535 9.077 -6.687 635 HD2 ARG1659 HD2 ARG1659 -7.405 9.075 -8.895 636 HD3 ARG1659 HD1 ARG1659 -7.225 7.557 -8.016 637 HE ARG1659 HE ARG1659 -9.441 7.291 -9.668 638 HH11 ARG1659 HH11 ARG1659 -5.917 6.968 -11.549 639 HH12 ARG1659 HH12 ARG1659 -5.999 7.777 -10.019 640 HH21 ARG1659 HH21 ARG1659 -7.806 6.092 -12.490 641 HH22 ARG1659 HH22 ARG1659 -9.331 6.233 -11.679 642 H LYS1660 HN LYS1660 -11.099 5.025 -5.784 643 HA LYS1660 HA LYS1660 -13.716 6.035 -5.172 644 HB2 LYS1660 HB2 LYS1660 -14.530 3.853 -5.631 645 HB3 LYS1660 HB1 LYS1660 -13.263 4.177 -6.806 646 HG2 LYS1660 HG2 LYS1660 -12.354 2.234 -6.235 647 HG3 LYS1660 HG1 LYS1660 -11.963 2.945 -4.669 648 HD2 LYS1660 HD2 LYS1660 -13.140 0.945 -4.204 649 HD3 LYS1660 HD1 LYS1660 -14.285 2.257 -3.924 650 HE2 LYS1660 HE2 LYS1660 -15.176 1.884 -6.218 651 HE3 LYS1660 HE1 LYS1660 -14.111 0.488 -6.357 652 HZ1 LYS1660 HZ1 LYS1660 -16.332 0.847 -4.428 653 HZ2 LYS1660 HZ2 LYS1660 -15.235 -0.438 -4.382 654 HZ3 LYS1660 HZ3 LYS1660 -16.263 -0.253 -5.713 655 H PHE1661 HN PHE1661 -11.129 4.957 -3.272 656 HA PHE1661 HA PHE1661 -12.704 3.869 -1.112 657 HB2 PHE1661 HB2 PHE1661 -10.410 3.091 -1.430 658 HB3 PHE1661 HB1 PHE1661 -9.803 4.730 -1.228 659 HD1 PHE1661 HD1 PHE1661 -11.390 1.890 0.503 660 HD2 PHE1661 HD2 PHE1661 -9.448 5.655 0.930 661 HE1 PHE1661 HE1 PHE1661 -11.152 1.490 2.918 662 HE2 PHE1661 HE2 PHE1661 -9.207 5.262 3.348 663 HZ PHE1661 HZ PHE1661 -10.059 3.175 4.345 664 H LYS1662 HN LYS1662 -10.963 6.875 -1.792 665 HA LYS1662 HA LYS1662 -11.587 8.146 0.646 666 HB2 LYS1662 HB2 LYS1662 -10.782 9.245 -2.050 667 HB3 LYS1662 HB1 LYS1662 -10.977 10.247 -0.618 668 HG2 LYS1662 HG2 LYS1662 -9.249 8.939 0.526 669 HG3 LYS1662 HG1 LYS1662 -9.040 7.961 -0.925 670 HD2 LYS1662 HD2 LYS1662 -8.243 9.857 -2.163 671 HD3 LYS1662 HD1 LYS1662 -8.633 10.948 -0.829 672 HE2 LYS1662 HE2 LYS1662 -6.626 8.698 -0.693 673 HE3 LYS1662 HE1 LYS1662 -6.220 10.391 -0.963 674 HZ1 LYS1662 HZ1 LYS1662 -7.498 9.246 1.462 675 HZ2 LYS1662 HZ2 LYS1662 -7.247 10.897 1.203 676 HZ3 LYS1662 HZ3 LYS1662 -5.924 9.854 1.342 677 H LYS1663 HN LYS1663 -13.139 8.220 -2.555 678 HA LYS1663 HA LYS1663 -15.159 10.082 -1.860 679 HB2 LYS1663 HB2 LYS1663 -15.041 8.000 -4.041 680 HB3 LYS1663 HB1 LYS1663 -16.322 9.193 -3.896 681 HG2 LYS1663 HG2 LYS1663 -14.759 10.989 -4.218 682 HG3 LYS1663 HG1 LYS1663 -13.405 9.855 -4.223 683 HD2 LYS1663 HD2 LYS1663 -14.364 8.774 -6.225 684 HD3 LYS1663 HD1 LYS1663 -15.656 9.976 -6.228 685 HE2 LYS1663 HE2 LYS1663 -13.919 10.580 -7.821 686 HE3 LYS1663 HE1 LYS1663 -14.001 11.754 -6.509 687 HZ1 LYS1663 HZ1 LYS1663 -11.718 11.147 -7.091 688 HZ2 LYS1663 HZ2 LYS1663 -12.034 9.537 -6.682 689 HZ3 LYS1663 HZ3 LYS1663 -12.086 10.736 -5.491 690 H ARG1664 HN ARG1664 -14.879 6.623 -1.487 691 HA ARG1664 HA ARG1664 -17.639 6.109 -0.971 692 HB2 ARG1664 HB2 ARG1664 -15.812 4.429 -1.657 693 HB3 ARG1664 HB1 ARG1664 -15.336 4.440 0.034 694 HG2 ARG1664 HG2 ARG1664 -18.196 3.955 -0.490 695 HG3 ARG1664 HG1 ARG1664 -17.085 2.691 -1.015 696 HD2 ARG1664 HD2 ARG1664 -17.134 3.872 1.763 697 HD3 ARG1664 HD1 ARG1664 -17.959 2.383 1.304 698 HE ARG1664 HE ARG1664 -15.549 1.709 0.594 699 HH11 ARG1664 HH11 ARG1664 -15.065 3.054 4.342 700 HH12 ARG1664 HH12 ARG1664 -16.429 3.582 3.412 701 HH21 ARG1664 HH21 ARG1664 -13.743 1.036 1.826 702 HH22 ARG1664 HH22 ARG1664 -13.551 1.617 3.448 703 H LYS1665 HN LYS1665 -14.951 7.225 0.898 704 HA LYS1665 HA LYS1665 -16.069 6.690 3.475 705 HB2 LYS1665 HB2 LYS1665 -13.621 6.962 3.036 706 HB3 LYS1665 HB1 LYS1665 -13.906 8.668 2.722 707 HG2 LYS1665 HG2 LYS1665 -13.052 8.320 4.970 708 HG3 LYS1665 HG1 LYS1665 -14.694 8.966 5.011 709 HD2 LYS1665 HD2 LYS1665 -15.568 6.713 5.399 710 HD3 LYS1665 HD1 LYS1665 -13.925 6.069 5.361 711 HE2 LYS1665 HE2 LYS1665 -13.334 7.347 7.315 712 HE3 LYS1665 HE1 LYS1665 -14.906 8.145 7.311 713 HZ1 LYS1665 HZ1 LYS1665 -14.464 5.239 7.714 714 HZ2 LYS1665 HZ2 LYS1665 -15.957 6.035 7.765 715 HZ3 LYS1665 HZ3 LYS1665 -14.786 6.361 8.939 716 H GLU1666 HN GLU1666 -16.280 9.269 1.148 717 HA GLU1666 HA GLU1666 -17.325 11.231 2.947 718 HB2 GLU1666 HB2 GLU1666 -17.588 11.137 -0.063 719 HB3 GLU1666 HB1 GLU1666 -17.756 12.550 0.969 720 HG2 GLU1666 HG2 GLU1666 -15.375 12.318 1.601 721 HG3 GLU1666 HG1 GLU1666 -15.238 10.985 0.458 722 H GLN1667 HN GLN1667 -18.598 8.566 1.200 723 HA GLN1667 HA GLN1667 -21.339 9.501 1.373 724 HB2 GLN1667 HB2 GLN1667 -20.068 7.016 0.238 725 HB3 GLN1667 HB1 GLN1667 -21.813 7.196 0.375 726 HG2 GLN1667 HG2 GLN1667 -19.945 8.939 -1.215 727 HG3 GLN1667 HG1 GLN1667 -21.097 7.762 -1.850 728 HE21 GLN1667 HE21 GLN1667 -23.354 8.182 -1.554 729 HE22 GLN1667 HE22 GLN1667 -23.920 9.807 -1.399 730 H GLY1668 HN GLY1668 -19.383 6.825 2.668 731 HA2 GLY1668 HA2 GLY1668 -19.678 6.505 5.130 732 HA3 GLY1668 HA1 GLY1668 -21.407 6.539 4.801 Start of MODEL 4 1 H1 ASP 822 HT1 ASP 822 -14.640 -9.273 -5.353 2 H2 ASP 822 HT2 ASP 822 -14.852 -7.604 -5.092 3 H3 ASP 822 HT3 ASP 822 -14.085 -8.159 -6.505 4 HA ASP 822 HA ASP 822 -16.047 -9.124 -7.340 5 HB2 ASP 822 HB2 ASP 822 -16.899 -9.876 -5.129 6 HB3 ASP 822 HB1 ASP 822 -17.397 -8.225 -4.782 7 H THR 823 HN THR 823 -17.513 -6.566 -5.426 8 HA THR 823 HA THR 823 -17.730 -4.929 -7.839 9 HB THR 823 HB THR 823 -18.880 -3.824 -5.382 10 HG1 THR 823 HG1 THR 823 -19.455 -6.493 -6.143 11 HG21 THR 823 HG21 THR 823 -20.198 -4.656 -7.969 12 HG22 THR 823 HG22 THR 823 -19.362 -3.116 -7.738 13 HG23 THR 823 HG23 THR 823 -20.795 -3.491 -6.785 14 H ASP 824 HN ASP 824 -15.681 -5.298 -5.289 15 HA ASP 824 HA ASP 824 -15.003 -2.520 -4.894 16 HB2 ASP 824 HB2 ASP 824 -13.350 -3.361 -3.348 17 HB3 ASP 824 HB1 ASP 824 -14.873 -4.201 -3.075 18 H THR 825 HN THR 825 -12.262 -2.579 -4.728 19 HA THR 825 HA THR 825 -11.344 -3.376 -7.394 20 HB THR 825 HB THR 825 -10.479 -0.725 -6.298 21 HG1 THR 825 HG1 THR 825 -12.243 0.301 -7.162 22 HG21 THR 825 HG21 THR 825 -10.658 -2.007 -9.016 23 HG22 THR 825 HG22 THR 825 -9.248 -1.322 -8.202 24 HG23 THR 825 HG23 THR 825 -10.498 -0.258 -8.845 25 H ALA 826 HN ALA 826 -11.037 -3.887 -4.295 26 HA ALA 826 HA ALA 826 -8.180 -3.508 -3.895 27 HB1 ALA 826 HB1 ALA 826 -10.386 -4.589 -2.200 28 HB2 ALA 826 HB2 ALA 826 -9.316 -3.221 -1.907 29 HB3 ALA 826 HB3 ALA 826 -8.699 -4.867 -1.774 30 H ASP 827 HN ASP 827 -10.476 -6.199 -4.216 31 HA ASP 827 HA ASP 827 -8.645 -8.303 -4.190 32 HB2 ASP 827 HB2 ASP 827 -10.876 -9.006 -4.214 33 HB3 ASP 827 HB1 ASP 827 -11.320 -7.916 -5.516 34 H GLN 828 HN GLN 828 -9.713 -6.229 -6.813 35 HA GLN 828 HA GLN 828 -8.283 -7.452 -8.886 36 HB2 GLN 828 HB2 GLN 828 -9.412 -4.687 -8.522 37 HB3 GLN 828 HB1 GLN 828 -8.523 -5.135 -9.978 38 HG2 GLN 828 HG2 GLN 828 -11.054 -6.377 -8.936 39 HG3 GLN 828 HG1 GLN 828 -10.872 -5.392 -10.379 40 HE21 GLN 828 HE21 GLN 828 -10.465 -8.499 -8.942 41 HE22 GLN 828 HE22 GLN 828 -10.091 -9.355 -10.402 42 H VAL 829 HN VAL 829 -7.431 -4.755 -6.735 43 HA VAL 829 HA VAL 829 -4.914 -4.166 -7.868 44 HB VAL 829 HB VAL 829 -6.042 -3.762 -5.098 45 HG11 VAL 829 HG11 VAL 829 -4.053 -2.408 -4.569 46 HG12 VAL 829 HG12 VAL 829 -3.295 -2.968 -6.060 47 HG13 VAL 829 HG13 VAL 829 -3.672 -4.115 -4.780 48 HG21 VAL 829 HG21 VAL 829 -5.751 -1.352 -5.785 49 HG22 VAL 829 HG22 VAL 829 -6.970 -2.268 -6.676 50 HG23 VAL 829 HG23 VAL 829 -5.401 -1.947 -7.410 51 H MET 830 HN MET 830 -5.947 -6.435 -5.376 52 HA MET 830 HA MET 830 -3.392 -7.296 -4.579 53 HB2 MET 830 HB2 MET 830 -6.152 -8.419 -4.413 54 HB3 MET 830 HB1 MET 830 -4.795 -9.467 -4.035 55 HG2 MET 830 HG2 MET 830 -5.075 -6.777 -2.759 56 HG3 MET 830 HG1 MET 830 -5.930 -8.178 -2.130 57 HE1 MET 830 HE1 MET 830 -4.217 -10.601 -2.138 58 HE2 MET 830 HE2 MET 830 -4.954 -9.942 -0.675 59 HE3 MET 830 HE3 MET 830 -3.253 -10.413 -0.672 60 H ALA 831 HN ALA 831 -5.594 -8.611 -7.025 61 HA ALA 831 HA ALA 831 -3.909 -10.743 -7.819 62 HB1 ALA 831 HB1 ALA 831 -6.334 -10.609 -8.344 63 HB2 ALA 831 HB2 ALA 831 -5.341 -10.942 -9.760 64 HB3 ALA 831 HB3 ALA 831 -5.983 -9.321 -9.495 65 H SER 832 HN SER 832 -4.297 -7.438 -8.956 66 HA SER 832 HA SER 832 -2.486 -7.613 -11.107 67 HB2 SER 832 HB2 SER 832 -3.215 -5.163 -9.476 68 HB3 SER 832 HB1 SER 832 -2.520 -5.177 -11.101 69 HG SER 832 HG SER 832 -5.111 -5.892 -10.260 70 H PHE 833 HN PHE 833 -2.046 -6.685 -7.711 71 HA PHE 833 HA PHE 833 0.662 -5.993 -7.896 72 HB2 PHE 833 HB2 PHE 833 -1.279 -6.436 -5.818 73 HB3 PHE 833 HB1 PHE 833 0.203 -7.282 -5.396 74 HD1 PHE 833 HD1 PHE 833 2.279 -5.486 -6.433 75 HD2 PHE 833 HD2 PHE 833 -1.360 -4.589 -4.429 76 HE1 PHE 833 HE1 PHE 833 3.247 -3.371 -5.618 77 HE2 PHE 833 HE2 PHE 833 -0.388 -2.480 -3.601 78 HZ PHE 833 HZ PHE 833 1.917 -1.866 -4.198 79 H LYS 834 HN LYS 834 -0.849 -9.036 -6.851 80 HA LYS 834 HA LYS 834 1.258 -10.690 -6.695 81 HB2 LYS 834 HB2 LYS 834 -1.510 -11.028 -6.942 82 HB3 LYS 834 HB1 LYS 834 -0.814 -12.035 -8.199 83 HG2 LYS 834 HG2 LYS 834 0.772 -12.846 -6.298 84 HG3 LYS 834 HG1 LYS 834 -0.500 -12.225 -5.244 85 HD2 LYS 834 HD2 LYS 834 -2.134 -13.651 -6.456 86 HD3 LYS 834 HD1 LYS 834 -0.790 -14.342 -7.378 87 HE2 LYS 834 HE2 LYS 834 0.138 -14.676 -4.879 88 HE3 LYS 834 HE1 LYS 834 -1.604 -14.766 -4.576 89 HZ1 LYS 834 HZ1 LYS 834 -0.238 -16.364 -6.673 90 HZ2 LYS 834 HZ2 LYS 834 -1.813 -16.556 -6.067 91 HZ3 LYS 834 HZ3 LYS 834 -0.479 -16.923 -5.086 92 H ILE 835 HN ILE 835 -0.484 -9.944 -9.748 93 HA ILE 835 HA ILE 835 1.204 -11.428 -11.413 94 HB ILE 835 HB ILE 835 -0.527 -8.995 -11.967 95 HG12 ILE 835 HG12 ILE 835 -1.057 -11.808 -12.858 96 HG13 ILE 835 HG11 ILE 835 -1.497 -11.286 -11.237 97 HG21 ILE 835 HG21 ILE 835 0.636 -10.857 -14.043 98 HG22 ILE 835 HG22 ILE 835 1.344 -9.291 -13.637 99 HG23 ILE 835 HG23 ILE 835 -0.283 -9.377 -14.314 100 HD11 ILE 835 HD11 ILE 835 -2.449 -10.036 -13.805 101 HD12 ILE 835 HD12 ILE 835 -2.907 -9.538 -12.170 102 HD13 ILE 835 HD13 ILE 835 -3.378 -11.127 -12.773 103 H LEU 836 HN LEU 836 1.220 -8.017 -10.464 104 HA LEU 836 HA LEU 836 3.212 -6.965 -12.041 105 HB2 LEU 836 HB2 LEU 836 1.717 -5.859 -10.249 106 HB3 LEU 836 HB1 LEU 836 2.990 -6.268 -9.134 107 HG LEU 836 HG LEU 836 4.530 -5.007 -10.823 108 HD11 LEU 836 HD11 LEU 836 3.424 -3.203 -11.984 109 HD12 LEU 836 HD12 LEU 836 1.850 -3.802 -11.458 110 HD13 LEU 836 HD13 LEU 836 2.841 -4.767 -12.551 111 HD21 LEU 836 HD21 LEU 836 3.473 -2.795 -9.666 112 HD22 LEU 836 HD22 LEU 836 4.554 -3.922 -8.853 113 HD23 LEU 836 HD23 LEU 836 2.815 -4.059 -8.630 114 H ALA 837 HN ALA 837 3.634 -8.555 -8.898 115 HA ALA 837 HA ALA 837 6.503 -8.323 -9.072 116 HB1 ALA 837 HB1 ALA 837 6.506 -9.631 -6.983 117 HB2 ALA 837 HB2 ALA 837 4.769 -9.826 -7.120 118 HB3 ALA 837 HB3 ALA 837 5.461 -8.222 -6.890 119 H GLY 838 HN GLY 838 4.061 -10.791 -9.626 120 HA2 GLY 838 HA2 GLY 838 4.499 -12.440 -11.351 121 HA3 GLY 838 HA1 GLY 838 6.175 -12.487 -10.804 122 H ASP 839 HN ASP 839 2.915 -12.918 -9.468 123 HA ASP 839 HA ASP 839 2.041 -14.320 -7.934 124 HB2 ASP 839 HB2 ASP 839 2.759 -15.886 -9.903 125 HB3 ASP 839 HB1 ASP 839 3.967 -16.449 -8.757 126 H LYS 840 HN LYS 840 4.010 -12.650 -6.960 127 HA LYS 840 HA LYS 840 5.407 -14.332 -4.987 128 HB2 LYS 840 HB2 LYS 840 6.148 -11.580 -5.999 129 HB3 LYS 840 HB1 LYS 840 7.015 -12.466 -4.755 130 HG2 LYS 840 HG2 LYS 840 7.737 -14.107 -6.305 131 HG3 LYS 840 HG1 LYS 840 6.634 -13.502 -7.545 132 HD2 LYS 840 HD2 LYS 840 7.879 -11.372 -7.567 133 HD3 LYS 840 HD1 LYS 840 9.021 -12.057 -6.408 134 HE2 LYS 840 HE2 LYS 840 9.923 -13.518 -7.955 135 HE3 LYS 840 HE1 LYS 840 8.464 -13.538 -8.938 136 HZ1 LYS 840 HZ1 LYS 840 8.980 -11.412 -9.815 137 HZ2 LYS 840 HZ2 LYS 840 10.382 -12.347 -9.942 138 HZ3 LYS 840 HZ3 LYS 840 10.251 -11.182 -8.723 139 H ASN 841 HN ASN 841 5.008 -13.992 -2.915 140 HA ASN 841 HA ASN 841 2.864 -12.237 -2.150 141 HB2 ASN 841 HB2 ASN 841 2.987 -14.407 -1.107 142 HB3 ASN 841 HB1 ASN 841 4.645 -14.123 -0.592 143 HD21 ASN 841 HD21 ASN 841 5.016 -13.093 1.298 144 HD22 ASN 841 HD22 ASN 841 3.780 -12.450 2.339 145 H TYR 842 HN TYR 842 6.227 -12.181 -2.272 146 HA TYR 842 HA TYR 842 6.313 -9.686 -0.722 147 HB2 TYR 842 HB2 TYR 842 8.956 -10.573 -0.998 148 HB3 TYR 842 HB1 TYR 842 7.977 -10.596 0.466 149 HD1 TYR 842 HD1 TYR 842 9.349 -12.575 -2.266 150 HD2 TYR 842 HD2 TYR 842 6.947 -12.677 1.229 151 HE1 TYR 842 HE1 TYR 842 9.528 -15.028 -2.225 152 HE2 TYR 842 HE2 TYR 842 7.117 -15.129 1.277 153 HH TYR 842 HH TYR 842 9.325 -16.871 -0.693 154 H ILE 843 HN ILE 843 6.663 -7.912 -1.876 155 HA ILE 843 HA ILE 843 7.718 -8.185 -4.603 156 HB ILE 843 HB ILE 843 5.474 -7.160 -4.416 157 HG12 ILE 843 HG12 ILE 843 7.497 -5.062 -5.240 158 HG13 ILE 843 HG11 ILE 843 7.156 -6.512 -6.197 159 HG21 ILE 843 HG21 ILE 843 5.498 -4.741 -3.489 160 HG22 ILE 843 HG22 ILE 843 6.932 -5.265 -2.617 161 HG23 ILE 843 HG23 ILE 843 5.396 -6.088 -2.362 162 HD11 ILE 843 HD11 ILE 843 5.068 -4.476 -5.441 163 HD12 ILE 843 HD12 ILE 843 4.901 -5.819 -6.550 164 HD13 ILE 843 HD13 ILE 843 5.952 -4.474 -6.960 165 H THR 844 HN THR 844 9.296 -6.738 -5.371 166 HA THR 844 HA THR 844 11.342 -6.089 -3.509 167 HB THR 844 HB THR 844 11.780 -4.715 -5.952 168 HG1 THR 844 HG1 THR 844 10.748 -7.364 -6.287 169 HG21 THR 844 HG21 THR 844 13.569 -6.256 -6.216 170 HG22 THR 844 HG22 THR 844 12.794 -7.436 -5.154 171 HG23 THR 844 HG23 THR 844 13.415 -5.924 -4.491 172 H MET 845 HN MET 845 11.927 -4.127 -2.660 173 HA MET 845 HA MET 845 9.880 -2.245 -2.226 174 HB2 MET 845 HB2 MET 845 11.479 -0.951 -0.981 175 HB3 MET 845 HB1 MET 845 11.703 -2.646 -0.607 176 HG2 MET 845 HG2 MET 845 13.758 -2.737 -1.616 177 HG3 MET 845 HG1 MET 845 13.372 -1.428 -2.731 178 HE1 MET 845 HE1 MET 845 14.643 -2.445 0.759 179 HE2 MET 845 HE2 MET 845 13.152 -1.644 1.262 180 HE3 MET 845 HE3 MET 845 14.713 -0.917 1.643 181 H ASP 846 HN ASP 846 12.776 -2.087 -4.305 182 HA ASP 846 HA ASP 846 12.295 0.578 -5.160 183 HB2 ASP 846 HB2 ASP 846 14.445 -0.960 -5.326 184 HB3 ASP 846 HB1 ASP 846 13.787 -1.289 -6.932 185 H GLU 847 HN GLU 847 11.225 -2.542 -6.398 186 HA GLU 847 HA GLU 847 10.356 -1.656 -8.932 187 HB2 GLU 847 HB2 GLU 847 9.972 -4.041 -7.256 188 HB3 GLU 847 HB1 GLU 847 8.616 -3.690 -8.319 189 HG2 GLU 847 HG2 GLU 847 11.480 -3.977 -9.203 190 HG3 GLU 847 HG1 GLU 847 10.247 -5.227 -9.329 191 H LEU 848 HN LEU 848 8.589 -2.050 -5.868 192 HA LEU 848 HA LEU 848 6.146 -1.050 -6.900 193 HB2 LEU 848 HB2 LEU 848 5.297 -1.200 -4.734 194 HB3 LEU 848 HB1 LEU 848 6.547 -2.425 -4.752 195 HG LEU 848 HG LEU 848 7.894 -0.205 -3.815 196 HD11 LEU 848 HD11 LEU 848 5.444 0.723 -3.658 197 HD12 LEU 848 HD12 LEU 848 6.595 1.001 -2.353 198 HD13 LEU 848 HD13 LEU 848 5.389 -0.270 -2.205 199 HD21 LEU 848 HD21 LEU 848 6.500 -2.389 -2.264 200 HD22 LEU 848 HD22 LEU 848 7.808 -1.371 -1.653 201 HD23 LEU 848 HD23 LEU 848 8.107 -2.486 -2.989 202 H ARG 849 HN ARG 849 8.998 0.470 -5.619 203 HA ARG 849 HA ARG 849 7.818 3.040 -5.214 204 HB2 ARG 849 HB2 ARG 849 9.856 2.302 -4.028 205 HB3 ARG 849 HB1 ARG 849 10.717 2.274 -5.562 206 HG2 ARG 849 HG2 ARG 849 10.680 4.603 -5.775 207 HG3 ARG 849 HG1 ARG 849 9.426 4.786 -4.544 208 HD2 ARG 849 HD2 ARG 849 11.775 5.430 -3.853 209 HD3 ARG 849 HD1 ARG 849 10.952 4.281 -2.796 210 HE ARG 849 HE ARG 849 12.764 3.284 -4.878 211 HH11 ARG 849 HH11 ARG 849 12.001 3.773 -1.496 212 HH12 ARG 849 HH12 ARG 849 13.208 2.658 -0.930 213 HH21 ARG 849 HH21 ARG 849 14.402 1.833 -4.135 214 HH22 ARG 849 HH22 ARG 849 14.571 1.562 -2.424 215 H ARG 850 HN ARG 850 9.170 1.328 -7.893 216 HA ARG 850 HA ARG 850 9.559 3.632 -9.558 217 HB2 ARG 850 HB2 ARG 850 10.055 0.787 -9.717 218 HB3 ARG 850 HB1 ARG 850 9.242 1.344 -11.182 219 HG2 ARG 850 HG2 ARG 850 11.607 1.433 -11.533 220 HG3 ARG 850 HG1 ARG 850 10.989 3.083 -11.427 221 HD2 ARG 850 HD2 ARG 850 11.994 1.773 -8.951 222 HD3 ARG 850 HD1 ARG 850 13.161 2.348 -10.133 223 HE ARG 850 HE ARG 850 11.340 4.411 -9.662 224 HH11 ARG 850 HH11 ARG 850 14.207 3.965 -6.890 225 HH12 ARG 850 HH12 ARG 850 13.807 2.621 -7.927 226 HH21 ARG 850 HH21 ARG 850 11.857 6.149 -8.245 227 HH22 ARG 850 HH22 ARG 850 13.088 5.924 -7.042 228 H GLU 851 HN GLU 851 7.023 1.426 -8.795 229 HA GLU 851 HA GLU 851 5.327 2.105 -11.006 230 HB2 GLU 851 HB2 GLU 851 4.838 0.452 -8.520 231 HB3 GLU 851 HB1 GLU 851 3.685 0.636 -9.842 232 HG2 GLU 851 HG2 GLU 851 6.409 -0.626 -9.975 233 HG3 GLU 851 HG1 GLU 851 4.853 -1.440 -10.086 234 H LEU 852 HN LEU 852 4.747 2.252 -7.496 235 HA LEU 852 HA LEU 852 2.759 4.313 -7.821 236 HB2 LEU 852 HB2 LEU 852 4.022 3.133 -5.337 237 HB3 LEU 852 HB1 LEU 852 2.645 4.225 -5.349 238 HG LEU 852 HG LEU 852 2.492 1.639 -6.865 239 HD11 LEU 852 HD11 LEU 852 3.297 1.123 -4.579 240 HD12 LEU 852 HD12 LEU 852 1.683 0.486 -4.924 241 HD13 LEU 852 HD13 LEU 852 1.869 1.944 -3.934 242 HD21 LEU 852 HD21 LEU 852 0.096 1.873 -6.296 243 HD22 LEU 852 HD22 LEU 852 0.712 3.262 -7.198 244 HD23 LEU 852 HD23 LEU 852 0.463 3.384 -5.459 245 HA PRO 853 HA PRO 853 5.250 7.933 -7.409 246 HB2 PRO 853 HB2 PRO 853 3.799 9.382 -5.532 247 HB3 PRO 853 HB1 PRO 853 3.445 9.344 -7.277 248 HG2 PRO 853 HG2 PRO 853 2.188 7.786 -5.065 249 HG3 PRO 853 HG1 PRO 853 1.429 8.533 -6.478 250 HD2 PRO 853 HD2 PRO 853 1.863 5.914 -6.384 251 HD3 PRO 853 HD1 PRO 853 2.083 6.819 -7.899 252 HA PRO 854 HA PRO 854 8.165 7.319 -4.162 253 HB2 PRO 854 HB2 PRO 854 7.949 10.258 -3.696 254 HB3 PRO 854 HB1 PRO 854 9.387 9.259 -3.930 255 HG2 PRO 854 HG2 PRO 854 8.476 10.800 -5.883 256 HG3 PRO 854 HG1 PRO 854 9.159 9.196 -6.222 257 HD2 PRO 854 HD2 PRO 854 6.347 10.106 -6.269 258 HD3 PRO 854 HD1 PRO 854 7.137 8.830 -7.209 259 H ASP 855 HN ASP 855 5.949 9.942 -3.148 260 HA ASP 855 HA ASP 855 6.096 9.447 -0.422 261 HB2 ASP 855 HB2 ASP 855 4.052 10.770 -2.160 262 HB3 ASP 855 HB1 ASP 855 3.733 10.551 -0.452 263 H GLN 856 HN GLN 856 3.891 8.060 -2.799 264 HA GLN 856 HA GLN 856 2.269 6.723 -0.891 265 HB2 GLN 856 HB2 GLN 856 1.553 7.314 -3.228 266 HB3 GLN 856 HB1 GLN 856 2.610 6.033 -3.809 267 HG2 GLN 856 HG2 GLN 856 0.502 5.047 -3.749 268 HG3 GLN 856 HG1 GLN 856 1.293 4.478 -2.278 269 HE21 GLN 856 HE21 GLN 856 -1.222 6.416 -3.624 270 HE22 GLN 856 HE22 GLN 856 -2.026 6.794 -2.141 271 H ALA 857 HN ALA 857 4.752 5.582 -3.177 272 HA ALA 857 HA ALA 857 4.835 2.927 -2.364 273 HB1 ALA 857 HB1 ALA 857 7.139 2.910 -3.328 274 HB2 ALA 857 HB2 ALA 857 7.025 4.658 -3.495 275 HB3 ALA 857 HB3 ALA 857 5.915 3.617 -4.384 276 H GLU 858 HN GLU 858 6.726 5.676 -1.126 277 HA GLU 858 HA GLU 858 8.288 4.190 0.671 278 HB2 GLU 858 HB2 GLU 858 7.388 7.053 0.690 279 HB3 GLU 858 HB1 GLU 858 8.482 6.396 1.891 280 HG2 GLU 858 HG2 GLU 858 9.022 6.303 -1.075 281 HG3 GLU 858 HG1 GLU 858 9.569 7.605 -0.022 282 H TYR 859 HN TYR 859 5.113 5.652 0.985 283 HA TYR 859 HA TYR 859 4.759 5.097 3.754 284 HB2 TYR 859 HB2 TYR 859 3.364 6.752 2.690 285 HB3 TYR 859 HB1 TYR 859 2.787 5.579 1.511 286 HD1 TYR 859 HD1 TYR 859 2.746 6.349 5.149 287 HD2 TYR 859 HD2 TYR 859 0.823 4.376 1.907 288 HE1 TYR 859 HE1 TYR 859 0.836 5.841 6.603 289 HE2 TYR 859 HE2 TYR 859 -1.099 3.857 3.359 290 HH TYR 859 HH TYR 859 -1.471 5.286 6.477 291 H CYS 860 HN CYS 860 3.857 3.385 0.776 292 HA CYS 860 HA CYS 860 2.527 1.227 1.998 293 HB2 CYS 860 HB2 CYS 860 4.084 1.279 -0.604 294 HB3 CYS 860 HB1 CYS 860 2.909 0.059 -0.129 295 HG CYS 860 HG CYS 860 1.948 3.317 -0.346 296 H ILE 861 HN ILE 861 5.919 1.753 1.177 297 HA ILE 861 HA ILE 861 6.932 -0.795 1.743 298 HB ILE 861 HB ILE 861 8.105 1.979 1.739 299 HG12 ILE 861 HG12 ILE 861 8.748 -0.496 0.131 300 HG13 ILE 861 HG11 ILE 861 7.636 0.764 -0.372 301 HG21 ILE 861 HG21 ILE 861 9.208 0.696 3.565 302 HG22 ILE 861 HG22 ILE 861 10.290 1.189 2.274 303 HG23 ILE 861 HG23 ILE 861 9.727 -0.479 2.363 304 HD11 ILE 861 HD11 ILE 861 9.637 1.189 -1.482 305 HD12 ILE 861 HD12 ILE 861 10.608 0.915 -0.034 306 HD13 ILE 861 HD13 ILE 861 9.593 2.353 -0.163 307 H ALA 862 HN ALA 862 6.267 1.989 3.846 308 HA ALA 862 HA ALA 862 7.410 0.767 6.176 309 HB1 ALA 862 HB1 ALA 862 6.595 2.734 7.363 310 HB2 ALA 862 HB2 ALA 862 5.643 3.196 5.952 311 HB3 ALA 862 HB3 ALA 862 7.406 3.197 5.863 312 H ARG 863 HN ARG 863 4.390 0.566 4.610 313 HA ARG 863 HA ARG 863 3.084 -0.352 7.062 314 HB2 ARG 863 HB2 ARG 863 1.971 0.477 4.392 315 HB3 ARG 863 HB1 ARG 863 0.994 -0.254 5.665 316 HG2 ARG 863 HG2 ARG 863 2.507 2.346 5.908 317 HG3 ARG 863 HG1 ARG 863 0.779 2.180 5.611 318 HD2 ARG 863 HD2 ARG 863 1.990 0.869 8.008 319 HD3 ARG 863 HD1 ARG 863 1.631 2.589 8.043 320 HE ARG 863 HE ARG 863 -0.714 1.795 7.344 321 HH11 ARG 863 HH11 ARG 863 0.162 -0.803 10.284 322 HH12 ARG 863 HH12 ARG 863 1.445 -0.039 9.401 323 HH21 ARG 863 HH21 ARG 863 -2.428 0.750 8.521 324 HH22 ARG 863 HH22 ARG 863 -2.020 -0.375 9.775 325 H MET 864 HN MET 864 5.054 -1.849 5.361 326 HA MET 864 HA MET 864 3.372 -4.170 4.693 327 HB2 MET 864 HB2 MET 864 6.044 -3.265 3.632 328 HB3 MET 864 HB1 MET 864 5.543 -4.945 3.481 329 HG2 MET 864 HG2 MET 864 3.588 -4.269 2.228 330 HG3 MET 864 HG1 MET 864 4.027 -2.572 2.436 331 HE1 MET 864 HE1 MET 864 3.353 -3.894 -0.330 332 HE2 MET 864 HE2 MET 864 4.655 -3.326 -1.386 333 HE3 MET 864 HE3 MET 864 3.877 -2.206 -0.266 334 H ALA 865 HN ALA 865 5.052 -6.237 4.809 335 HA ALA 865 HA ALA 865 6.153 -6.180 7.533 336 HB1 ALA 865 HB1 ALA 865 5.193 -8.207 8.094 337 HB2 ALA 865 HB2 ALA 865 4.915 -8.653 6.414 338 HB3 ALA 865 HB3 ALA 865 3.903 -7.424 7.181 339 HA PRO 866 HA PRO 866 9.922 -7.662 5.805 340 HB2 PRO 866 HB2 PRO 866 10.630 -9.548 7.712 341 HB3 PRO 866 HB1 PRO 866 10.920 -7.816 7.860 342 HG2 PRO 866 HG2 PRO 866 8.727 -9.440 9.016 343 HG3 PRO 866 HG1 PRO 866 9.641 -8.097 9.742 344 HD2 PRO 866 HD2 PRO 866 7.172 -7.708 8.787 345 HD3 PRO 866 HD1 PRO 866 8.440 -6.486 8.580 346 H TYR 867 HN TYR 867 9.230 -8.695 3.967 347 HA TYR 867 HA TYR 867 8.239 -10.318 2.685 348 HB2 TYR 867 HB2 TYR 867 10.038 -12.072 2.228 349 HB3 TYR 867 HB1 TYR 867 10.393 -10.393 1.935 350 HD1 TYR 867 HD1 TYR 867 11.290 -9.353 4.466 351 HD2 TYR 867 HD2 TYR 867 12.008 -13.186 2.726 352 HE1 TYR 867 HE1 TYR 867 13.390 -9.532 5.745 353 HE2 TYR 867 HE2 TYR 867 14.081 -13.379 4.033 354 HH TYR 867 HH TYR 867 15.649 -12.135 5.199 355 H THR 868 HN THR 868 9.777 -12.592 5.033 356 HA THR 868 HA THR 868 8.933 -14.382 6.094 357 HB THR 868 HB THR 868 6.236 -13.128 5.609 358 HG1 THR 868 HG1 THR 868 7.847 -11.825 6.789 359 HG21 THR 868 HG21 THR 868 5.349 -14.522 7.231 360 HG22 THR 868 HG22 THR 868 6.925 -14.893 7.924 361 HG23 THR 868 HG23 THR 868 6.450 -15.605 6.380 362 H GLY 869 HN GLY 869 9.412 -16.080 4.849 363 HA2 GLY 869 HA2 GLY 869 7.389 -17.539 3.559 364 HA3 GLY 869 HA1 GLY 869 8.295 -16.668 2.329 365 HA PRO 870 HA PRO 870 10.526 -20.684 3.522 366 HB2 PRO 870 HB2 PRO 870 9.985 -21.551 0.775 367 HB3 PRO 870 HB1 PRO 870 9.653 -22.391 2.294 368 HG2 PRO 870 HG2 PRO 870 7.682 -21.389 0.751 369 HG3 PRO 870 HG1 PRO 870 7.565 -21.462 2.531 370 HD2 PRO 870 HD2 PRO 870 8.230 -19.141 0.760 371 HD3 PRO 870 HD1 PRO 870 7.194 -19.201 2.206 372 H ASP 871 HN ASP 871 10.859 -18.063 1.656 373 HA ASP 871 HA ASP 871 13.571 -18.742 0.876 374 HB2 ASP 871 HB2 ASP 871 12.127 -19.235 -1.108 375 HB3 ASP 871 HB1 ASP 871 11.623 -17.545 -1.122 376 H SER 872 HN SER 872 14.647 -17.258 2.000 377 HA SER 872 HA SER 872 13.564 -14.730 2.733 378 HB2 SER 872 HB2 SER 872 15.161 -15.671 4.204 379 HB3 SER 872 HB1 SER 872 16.321 -15.966 2.906 380 HG SER 872 HG SER 872 16.535 -13.672 2.718 381 H VAL 873 HN VAL 873 12.987 -13.663 0.911 382 HA VAL 873 HA VAL 873 14.826 -13.133 -1.223 383 HB VAL 873 HB VAL 873 13.003 -11.542 -1.996 384 HG11 VAL 873 HG11 VAL 873 13.127 -13.790 -2.874 385 HG12 VAL 873 HG12 VAL 873 11.443 -13.359 -2.595 386 HG13 VAL 873 HG13 VAL 873 12.281 -14.418 -1.461 387 HG21 VAL 873 HG21 VAL 873 11.887 -10.928 -0.032 388 HG22 VAL 873 HG22 VAL 873 11.753 -12.591 0.537 389 HG23 VAL 873 HG23 VAL 873 10.763 -12.034 -0.819 390 HA PRO 874 HA PRO 874 16.523 -9.524 0.768 391 HB2 PRO 874 HB2 PRO 874 18.508 -9.086 -0.963 392 HB3 PRO 874 HB1 PRO 874 18.552 -10.469 0.140 393 HG2 PRO 874 HG2 PRO 874 17.808 -10.384 -2.750 394 HG3 PRO 874 HG1 PRO 874 18.787 -11.585 -1.891 395 HD2 PRO 874 HD2 PRO 874 16.138 -11.907 -2.526 396 HD3 PRO 874 HD1 PRO 874 16.948 -12.752 -1.188 397 H GLY 875 HN GLY 875 15.842 -7.480 0.610 398 HA2 GLY 875 HA2 GLY 875 15.363 -5.424 -0.373 399 HA3 GLY 875 HA1 GLY 875 15.731 -6.124 -1.933 400 H ALA 876 HN ALA 876 13.518 -8.032 -0.247 401 HA ALA 876 HA ALA 876 11.247 -6.683 -1.555 402 HB1 ALA 876 HB1 ALA 876 10.336 -8.987 -2.010 403 HB2 ALA 876 HB2 ALA 876 11.940 -9.610 -1.606 404 HB3 ALA 876 HB3 ALA 876 11.737 -8.513 -2.972 405 H LEU 877 HN LEU 877 9.304 -6.758 -0.461 406 HA LEU 877 HA LEU 877 9.381 -7.994 2.204 407 HB2 LEU 877 HB2 LEU 877 9.368 -5.221 1.636 408 HB3 LEU 877 HB1 LEU 877 7.774 -5.628 2.250 409 HG LEU 877 HG LEU 877 8.930 -6.759 4.198 410 HD11 LEU 877 HD11 LEU 877 11.217 -6.100 4.688 411 HD12 LEU 877 HD12 LEU 877 11.309 -5.228 3.156 412 HD13 LEU 877 HD13 LEU 877 11.137 -6.987 3.161 413 HD21 LEU 877 HD21 LEU 877 9.320 -4.655 5.380 414 HD22 LEU 877 HD22 LEU 877 7.861 -4.580 4.395 415 HD23 LEU 877 HD23 LEU 877 9.337 -3.790 3.842 416 H ASP 878 HN ASP 878 7.315 -8.476 3.123 417 HA ASP 878 HA ASP 878 5.493 -9.677 1.348 418 HB2 ASP 878 HB2 ASP 878 5.822 -10.383 3.679 419 HB3 ASP 878 HB1 ASP 878 5.111 -8.877 4.242 420 H TYR 879 HN TYR 879 4.060 -8.774 0.047 421 HA TYR 879 HA TYR 879 3.195 -6.053 0.500 422 HB2 TYR 879 HB2 TYR 879 2.704 -5.964 -1.726 423 HB3 TYR 879 HB1 TYR 879 3.823 -7.320 -1.771 424 HD1 TYR 879 HD1 TYR 879 0.483 -6.184 -2.432 425 HD2 TYR 879 HD2 TYR 879 2.859 -9.670 -1.849 426 HE1 TYR 879 HE1 TYR 879 -1.259 -7.550 -3.517 427 HE2 TYR 879 HE2 TYR 879 1.127 -11.032 -2.915 428 HH TYR 879 HH TYR 879 -1.541 -9.663 -4.604 429 H MET 880 HN MET 880 1.903 -9.248 0.856 430 HA MET 880 HA MET 880 -0.850 -8.757 0.754 431 HB2 MET 880 HB2 MET 880 -0.055 -11.019 0.741 432 HB3 MET 880 HB1 MET 880 0.750 -10.800 2.287 433 HG2 MET 880 HG2 MET 880 -1.438 -10.518 3.358 434 HG3 MET 880 HG1 MET 880 -2.209 -10.832 1.804 435 HE1 MET 880 HE1 MET 880 1.089 -12.695 3.028 436 HE2 MET 880 HE2 MET 880 0.377 -13.950 4.050 437 HE3 MET 880 HE3 MET 880 0.222 -12.247 4.496 438 H SER 881 HN SER 881 1.492 -8.339 3.279 439 HA SER 881 HA SER 881 -0.278 -7.975 5.473 440 HB2 SER 881 HB2 SER 881 2.471 -6.773 5.116 441 HB3 SER 881 HB1 SER 881 1.638 -7.078 6.641 442 HG SER 881 HG SER 881 2.480 -9.040 4.754 443 H PHE 882 HN PHE 882 1.080 -5.773 3.065 444 HA PHE 882 HA PHE 882 0.197 -3.376 4.243 445 HB2 PHE 882 HB2 PHE 882 1.835 -3.357 2.457 446 HB3 PHE 882 HB1 PHE 882 0.682 -4.077 1.344 447 HD1 PHE 882 HD1 PHE 882 1.026 -1.075 3.544 448 HD2 PHE 882 HD2 PHE 882 -0.438 -2.690 -0.121 449 HE1 PHE 882 HE1 PHE 882 0.287 1.158 2.863 450 HE2 PHE 882 HE2 PHE 882 -1.177 -0.439 -0.801 451 HZ PHE 882 HZ PHE 882 -0.808 1.484 0.697 452 H SER 883 HN SER 883 -1.297 -5.553 1.883 453 HA SER 883 HA SER 883 -3.667 -4.082 1.487 454 HB2 SER 883 HB2 SER 883 -3.356 -7.093 1.356 455 HB3 SER 883 HB1 SER 883 -4.514 -6.099 0.478 456 HG SER 883 HG SER 883 -2.751 -6.728 -0.837 457 H THR 884 HN THR 884 -2.662 -6.390 3.920 458 HA THR 884 HA THR 884 -5.224 -6.832 5.081 459 HB THR 884 HB THR 884 -2.490 -7.132 6.371 460 HG1 THR 884 HG1 THR 884 -2.904 -8.312 4.290 461 HG21 THR 884 HG21 THR 884 -3.641 -8.847 7.741 462 HG22 THR 884 HG22 THR 884 -5.161 -8.405 6.979 463 HG23 THR 884 HG23 THR 884 -4.304 -7.232 7.977 464 H ALA 885 HN ALA 885 -2.460 -4.774 6.020 465 HA ALA 885 HA ALA 885 -3.705 -3.614 8.254 466 HB1 ALA 885 HB1 ALA 885 -1.531 -2.499 6.475 467 HB2 ALA 885 HB2 ALA 885 -1.296 -3.500 7.910 468 HB3 ALA 885 HB3 ALA 885 -1.967 -1.877 8.067 469 H LEU 886 HN LEU 886 -3.769 -2.866 4.857 470 HA LEU 886 HA LEU 886 -5.046 -0.331 5.132 471 HB2 LEU 886 HB2 LEU 886 -3.661 -0.962 3.180 472 HB3 LEU 886 HB1 LEU 886 -4.883 -2.124 2.709 473 HG LEU 886 HG LEU 886 -6.493 -0.167 2.551 474 HD11 LEU 886 HD11 LEU 886 -3.972 1.468 2.506 475 HD12 LEU 886 HD12 LEU 886 -5.031 1.358 3.910 476 HD13 LEU 886 HD13 LEU 886 -5.637 2.039 2.398 477 HD21 LEU 886 HD21 LEU 886 -5.604 0.531 0.338 478 HD22 LEU 886 HD22 LEU 886 -5.619 -1.218 0.570 479 HD23 LEU 886 HD23 LEU 886 -4.106 -0.318 0.719 480 H TYR 887 HN TYR 887 -6.122 -3.606 5.005 481 HA TYR 887 HA TYR 887 -8.822 -3.024 4.253 482 HB2 TYR 887 HB2 TYR 887 -7.974 -5.221 3.744 483 HB3 TYR 887 HB1 TYR 887 -7.549 -5.518 5.432 484 HD1 TYR 887 HD1 TYR 887 -8.926 -7.055 6.447 485 HD2 TYR 887 HD2 TYR 887 -10.627 -4.412 3.587 486 HE1 TYR 887 HE1 TYR 887 -11.124 -8.084 6.816 487 HE2 TYR 887 HE2 TYR 887 -12.844 -5.441 3.941 488 HH TYR 887 HH TYR 887 -13.462 -7.580 6.571 489 H GLY 888 HN GLY 888 -7.099 -3.475 7.314 490 HA2 GLY 888 HA2 GLY 888 -9.444 -3.470 8.912 491 HA3 GLY 888 HA1 GLY 888 -7.789 -3.220 9.465 492 H GLU 889 HN GLU 889 -10.722 -1.825 9.264 493 HA GLU 889 HA GLU 889 -9.687 0.908 8.973 494 HB2 GLU 889 HB2 GLU 889 -12.046 -0.363 8.068 495 HB3 GLU 889 HB1 GLU 889 -12.543 0.764 9.322 496 HG2 GLU 889 HG2 GLU 889 -10.664 1.787 7.294 497 HG3 GLU 889 HG1 GLU 889 -12.295 1.428 6.754 498 H SER 890 HN SER 890 -10.222 2.473 10.554 499 HA SER 890 HA SER 890 -10.265 1.386 13.250 500 HB2 SER 890 HB2 SER 890 -10.163 4.299 12.437 501 HB3 SER 890 HB1 SER 890 -9.665 3.595 13.975 502 HG SER 890 HG SER 890 -8.411 2.489 11.792 503 H ASP 891 HN ASP 891 -12.367 2.942 11.017 504 HA ASP 891 HA ASP 891 -14.570 2.676 12.911 505 HB2 ASP 891 HB2 ASP 891 -14.172 4.969 13.189 506 HB3 ASP 891 HB1 ASP 891 -13.739 5.197 11.500 507 H LEU 892 HN LEU 892 -15.183 0.858 11.738 508 HA LEU 892 HA LEU 892 -16.684 1.446 9.324 509 HB2 LEU 892 HB2 LEU 892 -14.460 0.867 8.456 510 HB3 LEU 892 HB1 LEU 892 -14.480 -0.626 9.389 511 HG LEU 892 HG LEU 892 -16.384 -1.421 8.033 512 HD11 LEU 892 HD11 LEU 892 -15.906 1.102 6.461 513 HD12 LEU 892 HD12 LEU 892 -17.340 0.712 7.415 514 HD13 LEU 892 HD13 LEU 892 -16.957 -0.229 5.973 515 HD21 LEU 892 HD21 LEU 892 -14.057 -1.984 7.446 516 HD22 LEU 892 HD22 LEU 892 -14.006 -0.579 6.379 517 HD23 LEU 892 HD23 LEU 892 -15.110 -1.905 6.035 518 H1 GLY1646 HT1 GLY1646 -0.122 -6.550 -16.319 519 H2 GLY1646 HT2 GLY1646 -1.276 -6.318 -17.533 520 H3 GLY1646 HT3 GLY1646 -1.610 -5.842 -15.950 521 HA2 GLY1646 HA1 GLY1646 0.488 -4.649 -17.672 522 HA3 GLY1646 HA2 GLY1646 -1.083 -3.939 -17.353 523 H LYS1647 HN LYS1647 1.690 -3.022 -16.757 524 HA LYS1647 HA LYS1647 1.876 -3.135 -13.888 525 HB2 LYS1647 HB2 LYS1647 3.493 -1.708 -15.997 526 HB3 LYS1647 HB1 LYS1647 3.812 -1.548 -14.267 527 HG2 LYS1647 HG2 LYS1647 3.951 -4.132 -14.298 528 HG3 LYS1647 HG1 LYS1647 4.151 -3.930 -16.039 529 HD2 LYS1647 HD2 LYS1647 6.330 -3.813 -15.478 530 HD3 LYS1647 HD1 LYS1647 5.931 -2.121 -15.170 531 HE2 LYS1647 HE2 LYS1647 5.381 -2.889 -12.791 532 HE3 LYS1647 HE1 LYS1647 6.233 -4.372 -13.223 533 HZ1 LYS1647 HZ1 LYS1647 7.874 -3.075 -12.256 534 HZ2 LYS1647 HZ2 LYS1647 7.307 -1.630 -12.951 535 HZ3 LYS1647 HZ3 LYS1647 8.111 -2.783 -13.912 536 H PHE1648 HN PHE1648 1.442 -0.528 -16.296 537 HA PHE1648 HA PHE1648 0.921 1.493 -14.406 538 HB2 PHE1648 HB2 PHE1648 0.099 1.312 -17.318 539 HB3 PHE1648 HB1 PHE1648 0.043 2.778 -16.344 540 HD1 PHE1648 HD1 PHE1648 2.220 3.659 -15.380 541 HD2 PHE1648 HD2 PHE1648 2.054 0.689 -18.437 542 HE1 PHE1648 HE1 PHE1648 4.553 4.157 -15.998 543 HE2 PHE1648 HE2 PHE1648 4.380 1.187 -19.050 544 HZ PHE1648 HZ PHE1648 5.627 2.917 -17.836 545 H TYR1649 HN TYR1649 -1.102 -0.840 -16.065 546 HA TYR1649 HA TYR1649 -3.624 0.230 -15.491 547 HB2 TYR1649 HB2 TYR1649 -2.935 -1.796 -16.975 548 HB3 TYR1649 HB1 TYR1649 -3.093 -2.729 -15.491 549 HD1 TYR1649 HD1 TYR1649 -5.142 -3.662 -14.986 550 HD2 TYR1649 HD2 TYR1649 -5.005 -0.283 -17.562 551 HE1 TYR1649 HE1 TYR1649 -7.570 -3.860 -15.372 552 HE2 TYR1649 HE2 TYR1649 -7.420 -0.478 -17.965 553 HH TYR1649 HH TYR1649 -9.195 -2.015 -17.814 554 H ALA1650 HN ALA1650 -1.518 -1.916 -13.673 555 HA ALA1650 HA ALA1650 -3.268 -2.414 -11.520 556 HB1 ALA1650 HB1 ALA1650 -0.261 -2.444 -11.522 557 HB2 ALA1650 HB2 ALA1650 -1.297 -3.772 -12.047 558 HB3 ALA1650 HB3 ALA1650 -1.326 -3.243 -10.366 559 H THR1651 HN THR1651 -0.709 -0.013 -12.002 560 HA THR1651 HA THR1651 -0.776 1.181 -9.477 561 HB THR1651 HB THR1651 -0.323 3.037 -11.723 562 HG1 THR1651 HG1 THR1651 1.611 1.020 -11.427 563 HG21 THR1651 HG21 THR1651 1.812 3.371 -10.508 564 HG22 THR1651 HG22 THR1651 1.363 2.068 -9.408 565 HG23 THR1651 HG23 THR1651 0.409 3.548 -9.455 566 H PHE1652 HN PHE1652 -2.638 1.863 -12.410 567 HA PHE1652 HA PHE1652 -4.005 4.134 -11.434 568 HB2 PHE1652 HB2 PHE1652 -4.398 2.224 -13.680 569 HB3 PHE1652 HB1 PHE1652 -5.742 3.274 -13.231 570 HD1 PHE1652 HD1 PHE1652 -2.769 3.027 -15.129 571 HD2 PHE1652 HD2 PHE1652 -5.210 5.790 -13.020 572 HE1 PHE1652 HE1 PHE1652 -1.750 4.871 -16.387 573 HE2 PHE1652 HE2 PHE1652 -4.190 7.650 -14.278 574 HZ PHE1652 HZ PHE1652 -2.448 7.187 -15.962 575 H LEU1653 HN LEU1653 -4.682 0.689 -11.183 576 HA LEU1653 HA LEU1653 -7.336 0.892 -10.223 577 HB2 LEU1653 HB2 LEU1653 -5.244 -1.240 -9.816 578 HB3 LEU1653 HB1 LEU1653 -6.909 -1.402 -9.300 579 HG LEU1653 HG LEU1653 -6.015 -1.034 -12.153 580 HD11 LEU1653 HD11 LEU1653 -7.047 -3.495 -10.754 581 HD12 LEU1653 HD12 LEU1653 -5.351 -3.196 -11.139 582 HD13 LEU1653 HD13 LEU1653 -6.537 -3.363 -12.438 583 HD21 LEU1653 HD21 LEU1653 -8.189 -0.187 -12.041 584 HD22 LEU1653 HD22 LEU1653 -8.680 -1.374 -10.824 585 HD23 LEU1653 HD23 LEU1653 -8.421 -1.880 -12.494 586 H ILE1654 HN ILE1654 -4.178 0.789 -8.623 587 HA ILE1654 HA ILE1654 -5.151 0.745 -5.967 588 HB ILE1654 HB ILE1654 -2.522 1.944 -6.869 589 HG12 ILE1654 HG12 ILE1654 -3.148 -0.949 -6.221 590 HG13 ILE1654 HG11 ILE1654 -2.820 -0.317 -7.834 591 HG21 ILE1654 HG21 ILE1654 -3.432 0.702 -4.279 592 HG22 ILE1654 HG22 ILE1654 -3.046 2.396 -4.571 593 HG23 ILE1654 HG23 ILE1654 -1.769 1.174 -4.639 594 HD11 ILE1654 HD11 ILE1654 -0.567 0.023 -7.370 595 HD12 ILE1654 HD12 ILE1654 -0.930 -1.499 -6.568 596 HD13 ILE1654 HD13 ILE1654 -0.823 -0.019 -5.630 597 H GLN1655 HN GLN1655 -4.209 3.356 -8.128 598 HA GLN1655 HA GLN1655 -4.457 5.491 -6.359 599 HB2 GLN1655 HB2 GLN1655 -4.755 5.278 -9.347 600 HB3 GLN1655 HB1 GLN1655 -4.967 6.817 -8.516 601 HG2 GLN1655 HG2 GLN1655 -2.702 6.705 -7.668 602 HG3 GLN1655 HG1 GLN1655 -2.489 5.110 -8.393 603 HE21 GLN1655 HE21 GLN1655 -2.853 8.524 -9.030 604 HE22 GLN1655 HE22 GLN1655 -2.246 8.481 -10.656 605 H GLU1656 HN GLU1656 -6.890 4.091 -8.544 606 HA GLU1656 HA GLU1656 -8.949 5.911 -7.860 607 HB2 GLU1656 HB2 GLU1656 -8.663 4.033 -9.807 608 HB3 GLU1656 HB1 GLU1656 -9.782 3.222 -8.732 609 HG2 GLU1656 HG2 GLU1656 -10.878 4.496 -10.516 610 HG3 GLU1656 HG1 GLU1656 -11.353 5.019 -8.901 611 H TYR1657 HN TYR1657 -7.952 2.786 -6.525 612 HA TYR1657 HA TYR1657 -10.246 2.370 -4.926 613 HB2 TYR1657 HB2 TYR1657 -8.536 0.613 -5.413 614 HB3 TYR1657 HB1 TYR1657 -7.434 1.441 -4.316 615 HD1 TYR1657 HD1 TYR1657 -7.424 0.853 -2.057 616 HD2 TYR1657 HD2 TYR1657 -10.852 -0.041 -4.418 617 HE1 TYR1657 HE1 TYR1657 -8.400 -0.373 -0.161 618 HE2 TYR1657 HE2 TYR1657 -11.845 -1.258 -2.520 619 HH TYR1657 HH TYR1657 -11.298 -2.263 -0.471 620 H PHE1658 HN PHE1658 -7.122 3.890 -4.213 621 HA PHE1658 HA PHE1658 -7.695 4.574 -1.535 622 HB2 PHE1658 HB2 PHE1658 -5.734 5.524 -3.582 623 HB3 PHE1658 HB1 PHE1658 -5.957 6.500 -2.126 624 HD1 PHE1658 HD1 PHE1658 -4.630 6.058 -0.323 625 HD2 PHE1658 HD2 PHE1658 -5.397 2.940 -3.112 626 HE1 PHE1658 HE1 PHE1658 -3.117 4.570 0.923 627 HE2 PHE1658 HE2 PHE1658 -3.883 1.454 -1.872 628 HZ PHE1658 HZ PHE1658 -2.749 2.268 0.149 629 H ARG1659 HN ARG1659 -8.224 6.236 -4.587 630 HA ARG1659 HA ARG1659 -9.143 8.660 -3.534 631 HB2 ARG1659 HB2 ARG1659 -8.445 8.325 -5.881 632 HB3 ARG1659 HB1 ARG1659 -9.886 7.357 -6.161 633 HG2 ARG1659 HG2 ARG1659 -11.228 9.167 -6.300 634 HG3 ARG1659 HG1 ARG1659 -10.327 10.065 -5.079 635 HD2 ARG1659 HD2 ARG1659 -10.178 11.013 -7.378 636 HD3 ARG1659 HD1 ARG1659 -8.625 10.641 -6.630 637 HE ARG1659 HE ARG1659 -9.811 8.657 -8.444 638 HH11 ARG1659 HH11 ARG1659 -6.363 10.595 -9.158 639 HH12 ARG1659 HH12 ARG1659 -7.368 11.092 -7.836 640 HH21 ARG1659 HH21 ARG1659 -6.981 8.856 -10.488 641 HH22 ARG1659 HH22 ARG1659 -8.469 7.999 -10.195 642 H LYS1660 HN LYS1660 -11.045 5.882 -4.788 643 HA LYS1660 HA LYS1660 -13.541 6.986 -4.050 644 HB2 LYS1660 HB2 LYS1660 -14.535 4.974 -4.708 645 HB3 LYS1660 HB1 LYS1660 -13.092 5.059 -5.701 646 HG2 LYS1660 HG2 LYS1660 -12.635 3.010 -5.034 647 HG3 LYS1660 HG1 LYS1660 -12.297 3.669 -3.433 648 HD2 LYS1660 HD2 LYS1660 -13.857 1.896 -3.149 649 HD3 LYS1660 HD1 LYS1660 -14.756 3.399 -2.937 650 HE2 LYS1660 HE2 LYS1660 -15.203 3.110 -5.517 651 HE3 LYS1660 HE1 LYS1660 -14.858 1.419 -5.165 652 HZ1 LYS1660 HZ1 LYS1660 -16.845 3.001 -3.654 653 HZ2 LYS1660 HZ2 LYS1660 -16.648 1.323 -3.661 654 HZ3 LYS1660 HZ3 LYS1660 -17.245 2.110 -5.034 655 H PHE1661 HN PHE1661 -11.174 5.172 -2.243 656 HA PHE1661 HA PHE1661 -12.844 4.316 -0.139 657 HB2 PHE1661 HB2 PHE1661 -10.409 3.612 -0.617 658 HB3 PHE1661 HB1 PHE1661 -9.943 5.073 0.246 659 HD1 PHE1661 HD1 PHE1661 -11.720 1.859 0.563 660 HD2 PHE1661 HD2 PHE1661 -10.003 5.172 2.603 661 HE1 PHE1661 HE1 PHE1661 -11.957 0.653 2.703 662 HE2 PHE1661 HE2 PHE1661 -10.246 3.991 4.743 663 HZ PHE1661 HZ PHE1661 -11.215 1.726 4.800 664 H LYS1662 HN LYS1662 -10.989 7.266 -0.646 665 HA LYS1662 HA LYS1662 -11.528 8.471 1.842 666 HB2 LYS1662 HB2 LYS1662 -10.934 9.721 -0.857 667 HB3 LYS1662 HB1 LYS1662 -10.935 10.608 0.668 668 HG2 LYS1662 HG2 LYS1662 -9.029 9.528 1.433 669 HG3 LYS1662 HG1 LYS1662 -9.215 8.183 0.308 670 HD2 LYS1662 HD2 LYS1662 -8.805 9.886 -1.539 671 HD3 LYS1662 HD1 LYS1662 -8.295 10.976 -0.255 672 HE2 LYS1662 HE2 LYS1662 -7.073 8.310 -0.952 673 HE3 LYS1662 HE1 LYS1662 -6.360 9.909 -1.187 674 HZ1 LYS1662 HZ1 LYS1662 -5.487 8.775 0.790 675 HZ2 LYS1662 HZ2 LYS1662 -7.029 8.735 1.462 676 HZ3 LYS1662 HZ3 LYS1662 -6.268 10.211 1.186 677 H LYS1663 HN LYS1663 -13.215 8.532 -1.238 678 HA LYS1663 HA LYS1663 -15.229 10.360 -0.523 679 HB2 LYS1663 HB2 LYS1663 -15.620 8.103 -2.489 680 HB3 LYS1663 HB1 LYS1663 -16.339 9.701 -2.511 681 HG2 LYS1663 HG2 LYS1663 -14.149 10.674 -2.996 682 HG3 LYS1663 HG1 LYS1663 -13.448 9.058 -3.020 683 HD2 LYS1663 HD2 LYS1663 -13.864 9.629 -5.302 684 HD3 LYS1663 HD1 LYS1663 -15.139 8.504 -4.839 685 HE2 LYS1663 HE2 LYS1663 -16.023 10.395 -6.115 686 HE3 LYS1663 HE1 LYS1663 -16.675 10.335 -4.483 687 HZ1 LYS1663 HZ1 LYS1663 -14.410 12.055 -5.305 688 HZ2 LYS1663 HZ2 LYS1663 -15.226 12.074 -3.817 689 HZ3 LYS1663 HZ3 LYS1663 -16.018 12.570 -5.219 690 H ARG1664 HN ARG1664 -14.964 6.867 -0.273 691 HA ARG1664 HA ARG1664 -17.581 6.252 0.489 692 HB2 ARG1664 HB2 ARG1664 -15.636 4.661 -0.091 693 HB3 ARG1664 HB1 ARG1664 -15.149 4.847 1.589 694 HG2 ARG1664 HG2 ARG1664 -17.923 3.954 0.875 695 HG3 ARG1664 HG1 ARG1664 -16.576 2.819 0.925 696 HD2 ARG1664 HD2 ARG1664 -17.481 4.565 3.223 697 HD3 ARG1664 HD1 ARG1664 -17.844 2.852 3.030 698 HE ARG1664 HE ARG1664 -15.166 2.857 2.942 699 HH11 ARG1664 HH11 ARG1664 -16.390 4.206 6.520 700 HH12 ARG1664 HH12 ARG1664 -17.445 4.323 5.148 701 HH21 ARG1664 HH21 ARG1664 -13.732 2.768 4.754 702 HH22 ARG1664 HH22 ARG1664 -14.267 3.334 6.304 703 H LYS1665 HN LYS1665 -14.754 7.208 2.373 704 HA LYS1665 HA LYS1665 -15.929 6.953 4.939 705 HB2 LYS1665 HB2 LYS1665 -13.466 7.145 4.390 706 HB3 LYS1665 HB1 LYS1665 -13.724 8.868 4.161 707 HG2 LYS1665 HG2 LYS1665 -12.862 8.561 6.350 708 HG3 LYS1665 HG1 LYS1665 -14.572 8.965 6.516 709 HD2 LYS1665 HD2 LYS1665 -15.160 6.749 7.063 710 HD3 LYS1665 HD1 LYS1665 -13.632 6.104 6.457 711 HE2 LYS1665 HE2 LYS1665 -12.476 7.300 8.292 712 HE3 LYS1665 HE1 LYS1665 -14.045 7.829 8.890 713 HZ1 LYS1665 HZ1 LYS1665 -13.413 4.951 8.545 714 HZ2 LYS1665 HZ2 LYS1665 -14.630 5.670 9.484 715 HZ3 LYS1665 HZ3 LYS1665 -13.021 5.793 9.958 716 H GLU1666 HN GLU1666 -16.028 9.441 2.504 717 HA GLU1666 HA GLU1666 -17.012 11.532 4.173 718 HB2 GLU1666 HB2 GLU1666 -17.195 11.165 1.173 719 HB3 GLU1666 HB1 GLU1666 -17.594 12.649 2.030 720 HG2 GLU1666 HG2 GLU1666 -15.251 12.722 2.852 721 HG3 GLU1666 HG1 GLU1666 -14.902 11.334 1.830 722 H GLN1667 HN GLN1667 -18.397 8.843 2.531 723 HA GLN1667 HA GLN1667 -21.116 9.817 2.783 724 HB2 GLN1667 HB2 GLN1667 -20.075 7.121 1.885 725 HB3 GLN1667 HB1 GLN1667 -21.750 7.662 1.780 726 HG2 GLN1667 HG2 GLN1667 -19.392 8.853 0.338 727 HG3 GLN1667 HG1 GLN1667 -20.645 7.818 -0.363 728 HE21 GLN1667 HE21 GLN1667 -22.709 8.666 -0.724 729 HE22 GLN1667 HE22 GLN1667 -23.013 10.369 -0.711 730 H GLY1668 HN GLY1668 -19.361 6.911 3.921 731 HA2 GLY1668 HA2 GLY1668 -19.597 6.903 6.541 732 HA3 GLY1668 HA1 GLY1668 -21.290 6.655 6.106
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