NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24197 | 2k16 | 15670 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 850 HT1 GLY 850 22.706 0.156 4.201 2 H2 GLY 850 HT2 GLY 850 23.963 1.257 4.513 3 H3 GLY 850 HT3 GLY 850 23.664 0.696 2.936 4 HA2 GLY 850 HA1 GLY 850 21.771 2.321 4.488 5 HA3 GLY 850 HA2 GLY 850 22.848 2.917 3.222 6 H SER 851 H SER 851 19.911 2.942 3.232 7 HA SER 851 HA SER 851 19.080 0.835 1.534 8 HG SER 851 HG SER 851 16.990 2.576 3.916 9 HB2 SER 851 HB2 SER 851 17.719 3.465 2.145 10 HB3 SER 851 HB1 SER 851 16.963 2.010 1.501 11 H HIS 852 H HIS 852 19.725 0.731 -0.487 12 HA HIS 852 HA HIS 852 20.360 3.103 -2.020 13 HD2 HIS 852 HD2 HIS 852 22.509 3.284 -3.996 14 HE1 HIS 852 HE1 HIS 852 20.996 1.210 -7.363 15 HE2 HIS 852 HE2 HIS 852 22.210 3.263 -6.587 16 HB2 HIS 852 HB2 HIS 852 21.768 1.052 -2.228 17 HB3 HIS 852 HB1 HIS 852 20.368 0.174 -2.828 18 H MET 853 H MET 853 18.024 0.497 -1.887 19 HA MET 853 HA MET 853 16.431 1.889 -3.872 20 HB2 MET 853 HB2 MET 853 14.949 -0.108 -3.927 21 HB3 MET 853 HB1 MET 853 16.605 -0.511 -4.288 22 HG2 MET 853 HG2 MET 853 15.817 -2.258 -2.962 23 HG3 MET 853 HG1 MET 853 16.822 -1.291 -1.898 24 HE1 MET 853 HE1 MET 853 13.200 -2.432 -2.847 25 HE2 MET 853 HE2 MET 853 13.059 -0.692 -3.112 26 HE3 MET 853 HE3 MET 853 12.195 -1.456 -1.778 27 H ALA 854 H ALA 854 13.992 1.832 -3.372 28 HA ALA 854 HA ALA 854 12.225 2.552 -2.207 29 HB1 ALA 854 HB1 ALA 854 13.849 2.251 0.340 30 HB2 ALA 854 HB2 ALA 854 12.827 0.997 -0.363 31 HB3 ALA 854 HB3 ALA 854 12.104 2.488 0.240 32 H MET 855 H MET 855 14.742 4.096 -2.945 33 HA MET 855 HA MET 855 14.250 6.579 -1.511 34 HB2 MET 855 HB2 MET 855 16.182 5.865 -3.720 35 HB3 MET 855 HB1 MET 855 15.976 7.512 -3.145 36 HG2 MET 855 HG2 MET 855 16.861 5.166 -1.482 37 HG3 MET 855 HG1 MET 855 17.900 6.444 -2.114 38 HE1 MET 855 HE1 MET 855 17.819 5.635 0.965 39 HE2 MET 855 HE2 MET 855 17.812 7.229 1.726 40 HE3 MET 855 HE3 MET 855 18.838 6.926 0.328 41 H ALA 856 H ALA 856 13.386 4.974 -4.344 42 HA ALA 856 HA ALA 856 12.031 7.332 -5.393 43 HB1 ALA 856 HB1 ALA 856 13.356 6.038 -6.966 44 HB2 ALA 856 HB2 ALA 856 11.611 6.016 -7.322 45 HB3 ALA 856 HB3 ALA 856 12.376 4.607 -6.556 46 H TYR 857 H TYR 857 9.852 6.187 -6.598 47 HA TYR 857 HA TYR 857 7.732 5.694 -6.200 48 HD1 TYR 857 HD1 TYR 857 10.426 3.128 -5.840 49 HD2 TYR 857 HD2 TYR 857 6.207 2.651 -5.909 50 HE1 TYR 857 HE1 TYR 857 10.664 1.301 -7.468 51 HE2 TYR 857 HE2 TYR 857 6.426 0.839 -7.535 52 HH TYR 857 HH TYR 857 7.926 -0.013 -9.111 53 HB2 TYR 857 HB2 TYR 857 8.887 3.971 -3.990 54 HB3 TYR 857 HB1 TYR 857 7.156 4.043 -4.301 55 H VAL 858 H VAL 858 9.373 7.729 -4.745 56 HA VAL 858 HA VAL 858 7.463 8.578 -2.710 57 HB VAL 858 HB VAL 858 10.466 8.627 -2.474 58 HG11 VAL 858 HG11 VAL 858 10.040 9.372 -0.120 59 HG12 VAL 858 HG12 VAL 858 8.310 9.410 -0.472 60 HG13 VAL 858 HG13 VAL 858 9.409 10.504 -1.316 61 HG21 VAL 858 HG21 VAL 858 10.206 6.993 -0.610 62 HG22 VAL 858 HG22 VAL 858 9.760 6.382 -2.204 63 HG23 VAL 858 HG23 VAL 858 8.494 6.839 -1.056 64 H ILE 859 H ILE 859 6.780 10.418 -3.490 65 HA ILE 859 HA ILE 859 8.756 12.300 -4.596 66 HB ILE 859 HB ILE 859 5.812 12.188 -5.422 67 HG12 ILE 859 HG12 ILE 859 8.187 11.184 -7.004 68 HG13 ILE 859 HG11 ILE 859 7.029 10.150 -6.170 69 HG21 ILE 859 HG21 ILE 859 6.522 13.645 -7.240 70 HG22 ILE 859 HG22 ILE 859 8.167 13.648 -6.597 71 HG23 ILE 859 HG23 ILE 859 6.856 14.368 -5.663 72 HD11 ILE 859 HD11 ILE 859 5.246 10.964 -7.615 73 HD12 ILE 859 HD12 ILE 859 6.577 10.338 -8.597 74 HD13 ILE 859 HD13 ILE 859 6.365 12.073 -8.396 75 H ARG 860 H ARG 860 8.268 14.520 -4.002 76 HA ARG 860 HA ARG 860 6.628 14.648 -1.614 77 HE ARG 860 HE ARG 860 10.086 13.915 0.988 78 HB2 ARG 860 HB2 ARG 860 8.786 16.497 -2.619 79 HB3 ARG 860 HB1 ARG 860 7.713 16.903 -1.286 80 HG2 ARG 860 HG2 ARG 860 9.535 14.512 -1.331 81 HG3 ARG 860 HG1 ARG 860 9.922 16.058 -0.571 82 HD2 ARG 860 HD2 ARG 860 7.941 15.814 0.874 83 HD3 ARG 860 HD1 ARG 860 7.598 14.255 0.132 84 HH11 ARG 860 HH11 ARG 860 7.267 15.293 2.682 85 HH12 ARG 860 HH12 ARG 860 7.698 14.686 4.198 86 HH21 ARG 860 HH21 ARG 860 10.684 13.096 3.151 87 HH22 ARG 860 HH22 ARG 860 9.644 13.416 4.461 88 H ASP 861 H ASP 861 4.954 15.718 -1.494 89 HA ASP 861 HA ASP 861 3.567 16.778 -3.736 90 HB2 ASP 861 HB2 ASP 861 2.240 15.763 -2.096 91 HB3 ASP 861 HB1 ASP 861 3.138 16.592 -0.801 92 H GLU 862 H GLU 862 2.513 18.936 -3.399 93 HA GLU 862 HA GLU 862 4.487 20.937 -3.673 94 HB2 GLU 862 HB2 GLU 862 1.532 21.376 -3.226 95 HB3 GLU 862 HB1 GLU 862 2.663 22.526 -3.916 96 HG2 GLU 862 HG2 GLU 862 1.761 19.927 -5.124 97 HG3 GLU 862 HG1 GLU 862 1.327 21.549 -5.652 98 H TRP 863 H TRP 863 2.399 19.957 -1.010 99 HA TRP 863 HA TRP 863 3.261 22.186 0.652 100 HD1 TRP 863 HD TRP 863 1.989 19.697 3.888 101 HE1 TRP 863 HE1 TRP 863 1.624 21.331 5.856 102 HE3 TRP 863 HE3 TRP 863 0.898 23.911 1.242 103 HZ2 TRP 863 HZ2 TRP 863 0.941 24.043 6.219 104 HZ3 TRP 863 HZ3 TRP 863 0.401 25.986 2.466 105 HH2 TRP 863 HH TRP 863 0.423 26.045 4.902 106 HB2 TRP 863 HB2 TRP 863 0.894 21.353 0.680 107 HB3 TRP 863 HB1 TRP 863 1.484 19.823 1.312 108 H GLY 864 H GLY 864 4.253 19.127 -0.199 109 HA2 GLY 864 HA2 GLY 864 6.383 18.318 0.476 110 HA3 GLY 864 HA1 GLY 864 6.151 19.045 2.053 111 H ASN 865 H ASN 865 3.356 17.525 0.939 112 HA ASN 865 HA ASN 865 3.498 15.460 2.900 113 HB2 ASN 865 HB2 ASN 865 1.586 15.724 0.545 114 HB3 ASN 865 HB1 ASN 865 1.428 14.566 1.849 115 HD21 ASN 865 HD21 ASN 865 0.947 17.850 0.850 116 HD22 ASN 865 HD22 ASN 865 0.104 18.341 2.255 117 H GLN 866 H GLN 866 3.258 13.099 2.291 118 HA GLN 866 HA GLN 866 5.314 12.569 0.338 119 HB2 GLN 866 HB2 GLN 866 3.961 10.720 2.293 120 HB3 GLN 866 HB1 GLN 866 5.162 10.229 1.120 121 HG2 GLN 866 HG2 GLN 866 6.809 11.626 2.116 122 HG3 GLN 866 HG1 GLN 866 5.612 12.297 3.220 123 HE21 GLN 866 HE21 GLN 866 5.733 8.902 2.345 124 HE22 GLN 866 HE22 GLN 866 6.263 8.327 3.875 125 H ILE 867 H ILE 867 4.893 12.132 -1.567 126 HA ILE 867 HA ILE 867 2.277 11.119 -2.319 127 HB ILE 867 HB ILE 867 4.647 11.945 -3.964 128 HG12 ILE 867 HG12 ILE 867 3.456 13.848 -2.987 129 HG13 ILE 867 HG11 ILE 867 3.259 13.788 -4.739 130 HG21 ILE 867 HG21 ILE 867 1.926 11.022 -4.910 131 HG22 ILE 867 HG22 ILE 867 3.441 10.142 -5.104 132 HG23 ILE 867 HG23 ILE 867 3.187 11.668 -5.964 133 HD11 ILE 867 HD11 ILE 867 1.213 12.921 -2.705 134 HD12 ILE 867 HD12 ILE 867 1.060 12.796 -4.454 135 HD13 ILE 867 HD13 ILE 867 1.164 14.389 -3.695 136 H TRP 868 H TRP 868 2.051 9.168 -2.200 137 HA TRP 868 HA TRP 868 4.277 7.307 -2.111 138 HD1 TRP 868 HD TRP 868 4.277 6.318 0.638 139 HE1 TRP 868 HE1 TRP 868 3.623 7.398 2.873 140 HE3 TRP 868 HE3 TRP 868 -0.238 8.310 -0.716 141 HZ2 TRP 868 HZ2 TRP 868 1.458 8.910 3.931 142 HZ3 TRP 868 HZ3 TRP 868 -1.532 9.546 0.966 143 HH2 TRP 868 HH TRP 868 -0.697 9.834 3.240 144 HB2 TRP 868 HB2 TRP 868 1.328 6.826 -1.808 145 HB3 TRP 868 HB1 TRP 868 2.585 5.634 -1.506 146 H ILE 869 H ILE 869 4.866 6.159 -3.814 147 HA ILE 869 HA ILE 869 2.940 5.886 -5.955 148 HB ILE 869 HB ILE 869 5.913 5.348 -5.910 149 HG12 ILE 869 HG12 ILE 869 4.222 7.406 -7.303 150 HG13 ILE 869 HG11 ILE 869 5.401 7.706 -6.032 151 HG21 ILE 869 HG21 ILE 869 5.724 4.824 -8.320 152 HG22 ILE 869 HG22 ILE 869 3.969 4.972 -8.198 153 HG23 ILE 869 HG23 ILE 869 4.806 3.686 -7.331 154 HD11 ILE 869 HD11 ILE 869 6.199 8.406 -8.197 155 HD12 ILE 869 HD12 ILE 869 5.956 6.786 -8.840 156 HD13 ILE 869 HD13 ILE 869 7.194 7.073 -7.602 157 H CYS 870 H CYS 870 1.706 4.410 -5.610 158 HA CYS 870 HA CYS 870 1.842 2.243 -3.901 159 HB2 CYS 870 HB2 CYS 870 -0.208 3.196 -4.784 160 HB3 CYS 870 HB1 CYS 870 0.259 2.788 -6.414 161 HA PRO 871 HA PRO 871 4.728 -0.027 -6.542 162 HB2 PRO 871 HB2 PRO 871 5.260 -2.047 -4.791 163 HB3 PRO 871 HB1 PRO 871 6.036 -0.468 -4.707 164 HG2 PRO 871 HG2 PRO 871 3.805 -1.562 -3.075 165 HG3 PRO 871 HG1 PRO 871 5.123 -0.486 -2.595 166 HD2 PRO 871 HD2 PRO 871 2.555 0.347 -3.109 167 HD3 PRO 871 HD1 PRO 871 3.984 1.390 -3.240 168 H GLY 872 H GLY 872 1.647 -0.691 -5.720 169 HA2 GLY 872 HA2 GLY 872 1.535 -3.392 -6.696 170 HA3 GLY 872 HA1 GLY 872 0.170 -2.365 -6.256 171 H CYS 873 H CYS 873 0.910 -0.122 -7.897 172 HA CYS 873 HA CYS 873 0.232 -1.255 -10.538 173 HB2 CYS 873 HB2 CYS 873 -0.851 0.945 -10.876 174 HB3 CYS 873 HB1 CYS 873 -1.534 0.029 -9.527 175 H ASN 874 H ASN 874 2.247 0.871 -8.711 176 HA ASN 874 HA ASN 874 4.155 1.899 -9.025 177 HB2 ASN 874 HB2 ASN 874 4.020 0.991 -11.919 178 HB3 ASN 874 HB1 ASN 874 5.346 1.954 -11.278 179 HD21 ASN 874 HD21 ASN 874 3.869 -1.192 -11.408 180 HD22 ASN 874 HD22 ASN 874 5.126 -2.050 -10.621 181 H LYS 875 H LYS 875 1.423 2.914 -9.356 182 HA LYS 875 HA LYS 875 1.916 5.468 -10.750 183 HB2 LYS 875 HB2 LYS 875 -0.537 4.227 -9.536 184 HB3 LYS 875 HB1 LYS 875 -0.428 5.908 -9.984 185 HG2 LYS 875 HG2 LYS 875 -0.319 5.353 -12.295 186 HG3 LYS 875 HG1 LYS 875 -0.140 3.626 -11.921 187 HD2 LYS 875 HD2 LYS 875 -2.315 3.425 -11.125 188 HD3 LYS 875 HD1 LYS 875 -2.463 5.149 -10.820 189 HE2 LYS 875 HE2 LYS 875 -2.338 3.920 -13.562 190 HE3 LYS 875 HE1 LYS 875 -3.837 4.294 -12.710 191 HZ1 LYS 875 HZ1 LYS 875 -1.775 6.234 -13.611 192 HZ2 LYS 875 HZ2 LYS 875 -3.033 6.636 -12.582 193 HZ3 LYS 875 HZ3 LYS 875 -3.366 6.092 -14.143 194 HA PRO 876 HA PRO 876 2.129 7.537 -6.711 195 HB2 PRO 876 HB2 PRO 876 1.971 10.046 -7.706 196 HB3 PRO 876 HB1 PRO 876 3.480 9.151 -7.767 197 HG2 PRO 876 HG2 PRO 876 1.482 9.669 -9.899 198 HG3 PRO 876 HG1 PRO 876 3.246 9.562 -10.031 199 HD2 PRO 876 HD2 PRO 876 1.480 7.563 -10.749 200 HD3 PRO 876 HD1 PRO 876 3.173 7.288 -10.320 201 H ASP 877 H ASP 877 0.569 9.215 -5.697 202 HA ASP 877 HA ASP 877 -2.117 8.656 -6.512 203 HB2 ASP 877 HB2 ASP 877 -1.822 9.222 -4.176 204 HB3 ASP 877 HB1 ASP 877 -1.159 10.804 -4.613 205 H ASP 878 H ASP 878 -2.671 9.159 -8.384 206 HA ASP 878 HA ASP 878 -2.134 11.843 -9.380 207 HB2 ASP 878 HB2 ASP 878 -2.948 11.055 -11.585 208 HB3 ASP 878 HB1 ASP 878 -1.625 10.078 -10.987 209 H GLY 879 H GLY 879 -4.288 10.650 -7.426 210 HA2 GLY 879 HA2 GLY 879 -6.062 12.227 -6.859 211 HA3 GLY 879 HA1 GLY 879 -6.475 12.234 -8.572 212 H SER 880 H SER 880 -5.773 9.702 -6.162 213 HA SER 880 HA SER 880 -8.339 8.522 -6.861 214 HG SER 880 HG SER 880 -6.932 8.158 -8.708 215 HB2 SER 880 HB2 SER 880 -5.722 7.083 -6.468 216 HB3 SER 880 HB1 SER 880 -7.268 6.365 -6.905 217 HA PRO 881 HA PRO 881 -8.463 7.925 -2.371 218 HB2 PRO 881 HB2 PRO 881 -9.822 5.351 -2.690 219 HB3 PRO 881 HB1 PRO 881 -10.484 6.868 -2.076 220 HG2 PRO 881 HG2 PRO 881 -11.235 5.814 -4.452 221 HG3 PRO 881 HG1 PRO 881 -11.178 7.563 -4.163 222 HD2 PRO 881 HD2 PRO 881 -9.168 5.809 -5.534 223 HD3 PRO 881 HD1 PRO 881 -9.774 7.404 -6.025 224 H MET 882 H MET 882 -7.122 6.917 -0.921 225 HA MET 882 HA MET 882 -5.576 4.711 -2.030 226 HB2 MET 882 HB2 MET 882 -4.518 6.902 -0.230 227 HB3 MET 882 HB1 MET 882 -3.590 5.555 -0.877 228 HG2 MET 882 HG2 MET 882 -4.205 6.429 -3.179 229 HG3 MET 882 HG1 MET 882 -4.767 7.883 -2.370 230 HE1 MET 882 HE1 MET 882 -1.602 5.491 -1.858 231 HE2 MET 882 HE2 MET 882 -0.415 6.443 -2.768 232 HE3 MET 882 HE3 MET 882 -1.816 5.775 -3.585 233 H ILE 883 H ILE 883 -4.699 3.236 -0.558 234 HA ILE 883 HA ILE 883 -6.047 3.125 2.016 235 HB ILE 883 HB ILE 883 -7.435 1.757 0.463 236 HG12 ILE 883 HG12 ILE 883 -5.818 -0.048 2.273 237 HG13 ILE 883 HG11 ILE 883 -7.069 1.053 2.835 238 HG21 ILE 883 HG21 ILE 883 -4.938 0.202 -0.163 239 HG22 ILE 883 HG22 ILE 883 -5.834 1.247 -1.267 240 HG23 ILE 883 HG23 ILE 883 -6.571 -0.222 -0.664 241 HD11 ILE 883 HD11 ILE 883 -7.451 -1.237 0.943 242 HD12 ILE 883 HD12 ILE 883 -8.713 -0.141 1.506 243 HD13 ILE 883 HD13 ILE 883 -7.892 -1.205 2.649 244 H GLY 884 H GLY 884 -4.727 2.336 3.647 245 HA2 GLY 884 HA2 GLY 884 -1.959 1.779 2.845 246 HA3 GLY 884 HA1 GLY 884 -2.482 2.338 4.431 247 H CYS 885 H CYS 885 -0.762 0.163 4.094 248 HA CYS 885 HA CYS 885 -2.375 -2.221 4.287 249 HB2 CYS 885 HB2 CYS 885 -0.257 -2.285 3.041 250 HB3 CYS 885 HB1 CYS 885 0.618 -1.855 4.498 251 H ASP 886 H ASP 886 -1.892 -3.717 6.016 252 HA ASP 886 HA ASP 886 -2.066 -2.352 8.594 253 HB2 ASP 886 HB2 ASP 886 -3.750 -4.121 7.924 254 HB3 ASP 886 HB1 ASP 886 -2.445 -5.298 7.996 255 H ASP 887 H ASP 887 0.089 -4.223 6.642 256 HA ASP 887 HA ASP 887 1.821 -4.671 8.983 257 HB2 ASP 887 HB2 ASP 887 1.387 -6.665 7.518 258 HB3 ASP 887 HB1 ASP 887 2.246 -5.840 6.223 259 H CYS 888 H CYS 888 1.772 -3.092 5.836 260 HA CYS 888 HA CYS 888 4.299 -1.948 6.652 261 HB2 CYS 888 HB2 CYS 888 4.657 -1.226 4.239 262 HB3 CYS 888 HB1 CYS 888 4.726 -2.948 4.544 263 H ASP 889 H ASP 889 4.639 0.308 5.643 264 HA ASP 889 HA ASP 889 2.736 1.904 7.204 265 HB2 ASP 889 HB2 ASP 889 5.069 2.043 7.800 266 HB3 ASP 889 HB1 ASP 889 5.502 2.448 6.151 267 H ASP 890 H ASP 890 3.580 1.330 3.975 268 HA ASP 890 HA ASP 890 3.004 4.026 3.116 269 HB2 ASP 890 HB2 ASP 890 3.970 1.658 1.504 270 HB3 ASP 890 HB1 ASP 890 3.794 3.303 0.896 271 H TRP 891 H TRP 891 1.696 4.298 1.109 272 HA TRP 891 HA TRP 891 -0.807 2.861 1.547 273 HD1 TRP 891 HD TRP 891 0.654 5.304 3.586 274 HE1 TRP 891 HE1 TRP 891 -0.706 5.760 5.734 275 HE3 TRP 891 HE3 TRP 891 -4.041 5.296 1.595 276 HZ2 TRP 891 HZ2 TRP 891 -3.406 6.084 6.462 277 HZ3 TRP 891 HZ3 TRP 891 -5.953 5.696 3.075 278 HH2 TRP 891 HH TRP 891 -5.641 6.083 5.458 279 HB2 TRP 891 HB2 TRP 891 -0.307 5.747 0.836 280 HB3 TRP 891 HB1 TRP 891 -1.878 4.986 0.624 281 H TYR 892 H TYR 892 -2.021 2.202 -0.077 282 HA TYR 892 HA TYR 892 -0.868 2.127 -2.785 283 HD1 TYR 892 HD1 TYR 892 -0.886 0.014 0.452 284 HD2 TYR 892 HD2 TYR 892 -0.234 -0.929 -3.633 285 HE1 TYR 892 HE1 TYR 892 1.073 -1.291 1.086 286 HE2 TYR 892 HE2 TYR 892 1.738 -2.253 -3.022 287 HH TYR 892 HH TYR 892 2.208 -3.291 -0.003 288 HB2 TYR 892 HB2 TYR 892 -2.678 0.208 -1.302 289 HB3 TYR 892 HB1 TYR 892 -2.244 0.057 -2.998 290 H HIS 893 H HIS 893 -2.919 1.521 -4.251 291 HA HIS 893 HA HIS 893 -4.939 3.622 -3.677 292 HD2 HIS 893 HD2 HIS 893 -4.213 6.252 -5.360 293 HE1 HIS 893 HE1 HIS 893 -0.520 5.148 -7.065 294 HE2 HIS 893 HE2 HIS 893 -2.047 7.024 -6.567 295 HB2 HIS 893 HB2 HIS 893 -4.209 2.455 -6.355 296 HB3 HIS 893 HB1 HIS 893 -5.408 3.698 -6.102 297 H TRP 894 H TRP 894 -7.096 3.186 -4.369 298 HA TRP 894 HA TRP 894 -8.075 0.699 -3.631 299 HD1 TRP 894 HD TRP 894 -7.861 2.452 -1.974 300 HE1 TRP 894 HE1 TRP 894 -9.229 3.255 0.062 301 HE3 TRP 894 HE3 TRP 894 -12.456 2.812 -4.159 302 HZ2 TRP 894 HZ2 TRP 894 -11.868 3.939 0.657 303 HZ3 TRP 894 HZ3 TRP 894 -14.351 3.543 -2.790 304 HH2 TRP 894 HH TRP 894 -14.060 4.094 -0.422 305 HB2 TRP 894 HB2 TRP 894 -9.356 3.028 -5.000 306 HB3 TRP 894 HB1 TRP 894 -10.249 1.536 -4.756 307 HA PRO 895 HA PRO 895 -9.093 -0.370 -8.284 308 HB2 PRO 895 HB2 PRO 895 -7.373 0.672 -10.149 309 HB3 PRO 895 HB1 PRO 895 -8.936 1.391 -9.739 310 HG2 PRO 895 HG2 PRO 895 -6.209 2.100 -8.711 311 HG3 PRO 895 HG1 PRO 895 -7.499 3.174 -9.282 312 HD2 PRO 895 HD2 PRO 895 -7.109 2.819 -6.683 313 HD3 PRO 895 HD1 PRO 895 -8.756 2.891 -7.341 314 H CYS 896 H CYS 896 -5.782 0.085 -7.166 315 HA CYS 896 HA CYS 896 -4.486 -1.792 -8.791 316 HB2 CYS 896 HB2 CYS 896 -3.823 -0.933 -6.021 317 HB3 CYS 896 HB1 CYS 896 -2.708 -1.318 -7.330 318 H VAL 897 H VAL 897 -6.082 -1.936 -5.736 319 HA VAL 897 HA VAL 897 -5.304 -4.733 -5.382 320 HB VAL 897 HB VAL 897 -5.872 -4.329 -2.958 321 HG11 VAL 897 HG11 VAL 897 -3.845 -2.999 -2.507 322 HG12 VAL 897 HG12 VAL 897 -3.849 -2.414 -4.160 323 HG13 VAL 897 HG13 VAL 897 -3.541 -4.117 -3.836 324 HG21 VAL 897 HG21 VAL 897 -7.416 -2.542 -3.307 325 HG22 VAL 897 HG22 VAL 897 -6.142 -1.529 -3.991 326 HG23 VAL 897 HG23 VAL 897 -6.112 -1.915 -2.281 327 H GLY 898 H GLY 898 -7.985 -2.669 -5.973 328 HA2 GLY 898 HA2 GLY 898 -10.005 -3.471 -6.834 329 HA3 GLY 898 HA1 GLY 898 -9.689 -5.017 -6.051 330 H ILE 899 H ILE 899 -9.808 -1.699 -4.767 331 HA ILE 899 HA ILE 899 -11.580 -2.673 -2.660 332 HB ILE 899 HB ILE 899 -10.565 0.157 -3.068 333 HG12 ILE 899 HG12 ILE 899 -8.678 -1.310 -2.705 334 HG13 ILE 899 HG11 ILE 899 -8.936 -0.287 -1.310 335 HG21 ILE 899 HG21 ILE 899 -12.555 0.043 -1.692 336 HG22 ILE 899 HG22 ILE 899 -11.152 0.476 -0.714 337 HG23 ILE 899 HG23 ILE 899 -11.793 -1.165 -0.661 338 HD11 ILE 899 HD11 ILE 899 -10.007 -2.128 -0.134 339 HD12 ILE 899 HD12 ILE 899 -8.357 -2.505 -0.618 340 HD13 ILE 899 HD13 ILE 899 -9.716 -3.192 -1.520 341 H MET 900 H MET 900 -13.690 -2.497 -2.790 342 HA MET 900 HA MET 900 -14.863 -0.994 -4.998 343 HB2 MET 900 HB2 MET 900 -16.137 -2.892 -3.018 344 HB3 MET 900 HB1 MET 900 -16.965 -2.146 -4.375 345 HG2 MET 900 HG2 MET 900 -15.464 -3.315 -5.924 346 HG3 MET 900 HG1 MET 900 -14.657 -4.071 -4.554 347 HE1 MET 900 HE1 MET 900 -17.502 -6.367 -3.103 348 HE2 MET 900 HE2 MET 900 -17.144 -4.716 -2.607 349 HE3 MET 900 HE3 MET 900 -15.828 -5.842 -2.932 350 H ALA 901 H ALA 901 -14.775 -1.097 -1.490 351 HA ALA 901 HA ALA 901 -15.650 1.607 -1.269 352 HB1 ALA 901 HB1 ALA 901 -17.262 -0.666 -0.067 353 HB2 ALA 901 HB2 ALA 901 -17.830 0.462 -1.299 354 HB3 ALA 901 HB3 ALA 901 -17.470 1.041 0.328 355 H ALA 902 H ALA 902 -15.299 2.259 1.005 356 HA ALA 902 HA ALA 902 -12.837 1.437 1.887 357 HB1 ALA 902 HB1 ALA 902 -14.938 2.837 3.533 358 HB2 ALA 902 HB2 ALA 902 -13.824 3.617 2.416 359 HB3 ALA 902 HB3 ALA 902 -13.205 2.811 3.857 360 HA PRO 903 HA PRO 903 -14.000 -2.409 3.877 361 HB2 PRO 903 HB2 PRO 903 -11.446 -3.126 4.546 362 HB3 PRO 903 HB1 PRO 903 -12.111 -3.322 2.920 363 HG2 PRO 903 HG2 PRO 903 -10.373 -1.143 4.001 364 HG3 PRO 903 HG1 PRO 903 -10.257 -2.001 2.454 365 HD2 PRO 903 HD2 PRO 903 -11.351 0.449 2.625 366 HD3 PRO 903 HD1 PRO 903 -11.969 -0.748 1.496 367 HA PRO 904 HA PRO 904 -13.971 -1.511 8.316 368 HB2 PRO 904 HB2 PRO 904 -13.232 -4.289 8.876 369 HB3 PRO 904 HB1 PRO 904 -14.733 -3.442 9.251 370 HG2 PRO 904 HG2 PRO 904 -14.644 -5.376 7.398 371 HG3 PRO 904 HG1 PRO 904 -15.688 -3.955 7.210 372 HD2 PRO 904 HD2 PRO 904 -13.036 -4.535 5.951 373 HD3 PRO 904 HD1 PRO 904 -14.507 -3.845 5.233 374 H GLU 905 H GLU 905 -12.768 -1.149 9.956 375 HA GLU 905 HA GLU 905 -9.917 -1.043 9.512 376 HB2 GLU 905 HB2 GLU 905 -9.923 0.370 11.541 377 HB3 GLU 905 HB1 GLU 905 -11.047 0.952 10.330 378 HG2 GLU 905 HG2 GLU 905 -11.893 -0.753 12.637 379 HG3 GLU 905 HG1 GLU 905 -11.868 1.023 12.739 380 H GLU 906 H GLU 906 -12.232 -2.824 11.262 381 HA GLU 906 HA GLU 906 -10.521 -4.008 13.208 382 HB2 GLU 906 HB2 GLU 906 -12.369 -5.691 13.404 383 HB3 GLU 906 HB1 GLU 906 -12.884 -4.027 13.611 384 HG2 GLU 906 HG2 GLU 906 -13.621 -4.039 11.231 385 HG3 GLU 906 HG1 GLU 906 -13.238 -5.760 11.182 386 H MET 907 H MET 907 -11.213 -4.585 9.912 387 HA MET 907 HA MET 907 -10.059 -7.220 9.777 388 HB2 MET 907 HB2 MET 907 -11.803 -6.546 8.169 389 HB3 MET 907 HB1 MET 907 -10.800 -5.216 7.620 390 HG2 MET 907 HG2 MET 907 -9.121 -6.867 6.838 391 HG3 MET 907 HG1 MET 907 -10.238 -8.158 7.276 392 HE1 MET 907 HE1 MET 907 -10.108 -9.156 4.840 393 HE2 MET 907 HE2 MET 907 -8.958 -7.894 4.403 394 HE3 MET 907 HE3 MET 907 -10.354 -8.206 3.374 395 H GLN 908 H GLN 908 -7.962 -7.651 9.055 396 HA GLN 908 HA GLN 908 -6.205 -5.335 8.999 397 HB2 GLN 908 HB2 GLN 908 -5.373 -8.197 8.833 398 HB3 GLN 908 HB1 GLN 908 -4.447 -6.829 9.409 399 HG2 GLN 908 HG2 GLN 908 -5.966 -6.668 11.372 400 HG3 GLN 908 HG1 GLN 908 -6.733 -8.162 10.842 401 HE21 GLN 908 HE21 GLN 908 -3.305 -7.322 10.769 402 HE22 GLN 908 HE22 GLN 908 -2.806 -8.558 11.860 403 H TRP 909 H TRP 909 -5.563 -4.684 7.114 404 HA TRP 909 HA TRP 909 -6.333 -6.288 4.783 405 HD1 TRP 909 HD TRP 909 -8.461 -4.976 2.643 406 HE1 TRP 909 HE1 TRP 909 -7.760 -4.429 0.213 407 HE3 TRP 909 HE3 TRP 909 -4.017 -2.757 3.592 408 HZ2 TRP 909 HZ2 TRP 909 -5.563 -3.219 -1.084 409 HZ3 TRP 909 HZ3 TRP 909 -2.641 -1.919 1.714 410 HH2 TRP 909 HH TRP 909 -3.413 -2.150 -0.577 411 HB2 TRP 909 HB2 TRP 909 -7.555 -4.150 4.991 412 HB3 TRP 909 HB1 TRP 909 -6.029 -3.279 5.026 413 H PHE 910 H PHE 910 -4.791 -6.864 3.383 414 HA PHE 910 HA PHE 910 -2.160 -5.632 3.717 415 HD1 PHE 910 HD1 PHE 910 -0.489 -6.737 5.603 416 HD2 PHE 910 HD2 PHE 910 -3.873 -9.267 5.162 417 HE1 PHE 910 HE1 PHE 910 -0.593 -7.033 8.051 418 HE2 PHE 910 HE2 PHE 910 -3.978 -9.562 7.601 419 HZ PHE 910 HZ PHE 910 -2.343 -8.429 9.040 420 HB2 PHE 910 HB2 PHE 910 -2.693 -8.584 3.272 421 HB3 PHE 910 HB1 PHE 910 -1.111 -7.831 3.410 422 H CYS 911 H CYS 911 -1.145 -5.155 1.882 423 HA CYS 911 HA CYS 911 -2.484 -5.029 -0.614 424 HB2 CYS 911 HB2 CYS 911 -0.163 -4.289 -1.244 425 HB3 CYS 911 HB1 CYS 911 -0.921 -3.379 0.060 426 HA PRO 912 HA PRO 912 -1.239 -8.823 -2.704 427 HB2 PRO 912 HB2 PRO 912 0.399 -7.755 -4.731 428 HB3 PRO 912 HB1 PRO 912 -1.342 -8.027 -4.845 429 HG2 PRO 912 HG2 PRO 912 0.143 -5.514 -4.165 430 HG3 PRO 912 HG1 PRO 912 -1.329 -5.706 -5.132 431 HD2 PRO 912 HD2 PRO 912 -1.504 -4.792 -2.689 432 HD3 PRO 912 HD1 PRO 912 -2.670 -5.999 -3.266 433 H LYS 913 H LYS 913 1.094 -6.549 -1.616 434 HA LYS 913 HA LYS 913 3.449 -8.162 -1.982 435 HB2 LYS 913 HB2 LYS 913 3.092 -5.751 -0.208 436 HB3 LYS 913 HB1 LYS 913 4.592 -6.383 -0.868 437 HG2 LYS 913 HG2 LYS 913 2.363 -5.153 -2.478 438 HG3 LYS 913 HG1 LYS 913 3.841 -4.344 -1.979 439 HD2 LYS 913 HD2 LYS 913 5.154 -5.927 -3.310 440 HD3 LYS 913 HD1 LYS 913 3.662 -6.742 -3.801 441 HE2 LYS 913 HE2 LYS 913 2.865 -4.728 -4.865 442 HE3 LYS 913 HE1 LYS 913 4.257 -3.832 -4.281 443 HZ1 LYS 913 HZ1 LYS 913 4.315 -6.057 -6.248 444 HZ2 LYS 913 HZ2 LYS 913 5.672 -5.248 -5.639 445 HZ3 LYS 913 HZ3 LYS 913 4.552 -4.407 -6.568 446 H CYS 914 H CYS 914 1.617 -6.927 0.850 447 HA CYS 914 HA CYS 914 2.957 -8.789 2.540 448 HB2 CYS 914 HB2 CYS 914 0.801 -6.775 3.140 449 HB3 CYS 914 HB1 CYS 914 1.586 -7.771 4.368 450 H ALA 915 H ALA 915 0.072 -8.861 0.768 451 HA ALA 915 HA ALA 915 -1.311 -10.937 2.092 452 HB1 ALA 915 HB1 ALA 915 -2.263 -9.642 0.250 453 HB2 ALA 915 HB2 ALA 915 -2.268 -11.388 -0.106 454 HB3 ALA 915 HB3 ALA 915 -1.021 -10.337 -0.806 455 H ASN 916 H ASN 916 1.348 -10.773 -0.072 456 HA ASN 916 HA ASN 916 1.639 -13.549 -0.515 457 HB2 ASN 916 HB2 ASN 916 2.523 -12.308 -2.215 458 HB3 ASN 916 HB1 ASN 916 3.136 -11.065 -1.151 459 HD21 ASN 916 HD21 ASN 916 5.043 -11.191 -0.408 460 HD22 ASN 916 HD22 ASN 916 6.273 -12.329 -0.871 461 H LYS 917 H LYS 917 2.617 -11.368 1.906 462 HA LYS 917 HA LYS 917 4.509 -13.100 3.235 463 HB2 LYS 917 HB2 LYS 917 2.867 -10.810 4.336 464 HB3 LYS 917 HB1 LYS 917 4.115 -11.648 5.236 465 HG2 LYS 917 HG2 LYS 917 5.814 -10.820 3.785 466 HG3 LYS 917 HG1 LYS 917 4.614 -10.146 2.677 467 HD2 LYS 917 HD2 LYS 917 3.827 -8.636 4.440 468 HD3 LYS 917 HD1 LYS 917 5.000 -9.329 5.552 469 HE2 LYS 917 HE2 LYS 917 6.823 -8.452 4.309 470 HE3 LYS 917 HE1 LYS 917 5.772 -8.007 2.964 471 HZ1 LYS 917 HZ1 LYS 917 6.395 -6.088 4.420 472 HZ2 LYS 917 HZ2 LYS 917 5.435 -6.789 5.669 473 HZ3 LYS 917 HZ3 LYS 917 4.752 -6.376 4.224 474 H ILE 918 H ILE 918 1.061 -12.441 3.486 475 HA ILE 918 HA ILE 918 0.334 -14.279 5.512 476 HB ILE 918 HB ILE 918 -1.215 -13.570 2.985 477 HG12 ILE 918 HG12 ILE 918 -0.611 -11.544 4.203 478 HG13 ILE 918 HG11 ILE 918 -2.341 -11.827 4.308 479 HG21 ILE 918 HG21 ILE 918 -2.150 -15.526 4.109 480 HG22 ILE 918 HG22 ILE 918 -3.238 -14.142 4.208 481 HG23 ILE 918 HG23 ILE 918 -2.271 -14.600 5.611 482 HD11 ILE 918 HD11 ILE 918 -0.301 -12.384 6.454 483 HD12 ILE 918 HD12 ILE 918 -2.033 -12.715 6.575 484 HD13 ILE 918 HD13 ILE 918 -1.459 -11.053 6.413 485 H LYS 919 H LYS 919 0.663 -14.534 2.036 486 HA LYS 919 HA LYS 919 1.489 -16.014 0.670 487 HB2 LYS 919 HB2 LYS 919 3.089 -16.267 2.550 488 HB3 LYS 919 HB1 LYS 919 2.144 -17.644 3.077 489 HG2 LYS 919 HG2 LYS 919 2.591 -18.745 1.029 490 HG3 LYS 919 HG1 LYS 919 3.529 -17.367 0.439 491 HD2 LYS 919 HD2 LYS 919 4.977 -17.564 2.470 492 HD3 LYS 919 HD1 LYS 919 4.169 -19.085 2.839 493 HE2 LYS 919 HE2 LYS 919 4.966 -20.023 0.746 494 HE3 LYS 919 HE1 LYS 919 5.716 -18.479 0.331 495 HZ1 LYS 919 HZ1 LYS 919 7.380 -19.934 1.233 496 HZ2 LYS 919 HZ2 LYS 919 6.456 -20.256 2.588 497 HZ3 LYS 919 HZ3 LYS 919 7.086 -18.716 2.358 498 H LYS 920 H LYS 920 0.151 -17.907 3.108 499 HA LYS 920 HA LYS 920 -2.093 -18.989 1.732 500 HB2 LYS 920 HB2 LYS 920 -0.267 -20.037 0.367 501 HB3 LYS 920 HB1 LYS 920 0.361 -20.759 1.839 502 HG2 LYS 920 HG2 LYS 920 -1.899 -21.891 2.064 503 HG3 LYS 920 HG1 LYS 920 -2.183 -21.394 0.397 504 HD2 LYS 920 HD2 LYS 920 0.097 -23.102 1.387 505 HD3 LYS 920 HD1 LYS 920 -1.305 -23.670 0.485 506 HE2 LYS 920 HE2 LYS 920 -0.598 -22.361 -1.453 507 HE3 LYS 920 HE1 LYS 920 0.758 -21.713 -0.531 508 HZ1 LYS 920 HZ1 LYS 920 1.471 -23.542 -1.944 509 HZ2 LYS 920 HZ2 LYS 920 0.366 -24.580 -1.210 510 HZ3 LYS 920 HZ3 LYS 920 1.636 -23.952 -0.326 511 H ASP 921 H ASP 921 0.621 -19.891 3.723 512 HA ASP 921 HA ASP 921 -1.081 -21.050 5.754 513 HB2 ASP 921 HB2 ASP 921 0.842 -22.354 5.135 514 HB3 ASP 921 HB1 ASP 921 1.911 -20.975 5.358 515 H LYS 922 H LYS 922 -2.038 -19.245 6.680 516 HA LYS 922 HA LYS 922 -0.147 -17.317 7.751 517 HB2 LYS 922 HB2 LYS 922 -1.894 -15.744 8.109 518 HB3 LYS 922 HB1 LYS 922 -2.176 -16.434 6.526 519 HG2 LYS 922 HG2 LYS 922 -4.009 -17.749 7.378 520 HG3 LYS 922 HG1 LYS 922 -3.660 -17.219 9.032 521 HD2 LYS 922 HD2 LYS 922 -4.058 -14.875 8.301 522 HD3 LYS 922 HD1 LYS 922 -4.520 -15.484 6.717 523 HE2 LYS 922 HE2 LYS 922 -6.493 -15.004 8.033 524 HE3 LYS 922 HE1 LYS 922 -6.359 -16.737 7.760 525 HZ1 LYS 922 HZ1 LYS 922 -6.994 -16.058 10.045 526 HZ2 LYS 922 HZ2 LYS 922 -5.425 -15.445 10.293 527 HZ3 LYS 922 HZ3 LYS 922 -5.668 -17.071 9.984 528 H LYS 923 H LYS 923 0.014 -16.903 9.848 529 HA LYS 923 HA LYS 923 -1.043 -19.051 11.523 530 HB2 LYS 923 HB2 LYS 923 1.134 -18.722 12.820 531 HB3 LYS 923 HB1 LYS 923 1.186 -19.543 11.265 532 HG2 LYS 923 HG2 LYS 923 1.820 -17.306 10.258 533 HG3 LYS 923 HG1 LYS 923 2.072 -16.748 11.911 534 HD2 LYS 923 HD2 LYS 923 4.154 -17.515 10.835 535 HD3 LYS 923 HD1 LYS 923 3.759 -18.468 12.266 536 HE2 LYS 923 HE2 LYS 923 4.562 -19.807 10.345 537 HE3 LYS 923 HE1 LYS 923 2.964 -20.303 10.882 538 HZ1 LYS 923 HZ1 LYS 923 3.651 -18.687 8.462 539 HZ2 LYS 923 HZ2 LYS 923 2.095 -18.881 8.994 540 HZ3 LYS 923 HZ3 LYS 923 2.951 -20.222 8.498 541 H HIS 924 H HIS 924 -1.617 -16.094 10.904 542 HA HIS 924 HA HIS 924 -2.003 -15.351 13.700 543 HD1 HIS 924 HD1 HIS 924 -1.075 -12.630 14.764 544 HD2 HIS 924 HD2 HIS 924 -4.118 -11.955 12.021 545 HE1 HIS 924 HE1 HIS 924 -2.485 -10.808 15.763 546 HE2 HIS 924 HE2 HIS 924 -4.187 -10.272 13.991 547 HB2 HIS 924 HB2 HIS 924 -0.675 -13.687 12.404 548 HB3 HIS 924 HB1 HIS 924 -1.994 -13.566 11.244 Start of MODEL 2 1 H1 GLY 850 HT1 GLY 850 -1.497 6.139 -16.189 2 H2 GLY 850 HT2 GLY 850 0.036 6.767 -15.853 3 H3 GLY 850 HT3 GLY 850 -0.190 5.817 -17.214 4 HA2 GLY 850 HA1 GLY 850 -1.534 7.497 -18.231 5 HA3 GLY 850 HA2 GLY 850 -1.371 8.477 -16.772 6 H SER 851 H SER 851 -0.465 9.933 -18.594 7 HA SER 851 HA SER 851 2.244 9.228 -19.265 8 HG SER 851 HG SER 851 2.359 11.471 -21.696 9 HB2 SER 851 HB2 SER 851 0.770 10.429 -20.902 10 HB3 SER 851 HB1 SER 851 0.746 11.818 -19.815 11 H HIS 852 H HIS 852 3.127 9.069 -17.268 12 HA HIS 852 HA HIS 852 3.409 11.590 -15.810 13 HD2 HIS 852 HD2 HIS 852 5.061 7.875 -14.028 14 HE1 HIS 852 HE1 HIS 852 1.580 5.509 -14.442 15 HE2 HIS 852 HE2 HIS 852 4.064 5.464 -14.109 16 HB2 HIS 852 HB2 HIS 852 3.420 10.301 -13.686 17 HB3 HIS 852 HB1 HIS 852 1.890 10.205 -14.541 18 H MET 853 H MET 853 5.265 11.552 -14.306 19 HA MET 853 HA MET 853 7.536 10.066 -15.393 20 HB2 MET 853 HB2 MET 853 7.729 12.510 -15.771 21 HB3 MET 853 HB1 MET 853 7.452 12.789 -14.057 22 HG2 MET 853 HG2 MET 853 9.552 11.667 -13.525 23 HG3 MET 853 HG1 MET 853 9.825 11.346 -15.232 24 HE1 MET 853 HE1 MET 853 9.862 15.582 -13.352 25 HE2 MET 853 HE2 MET 853 9.589 14.104 -12.429 26 HE3 MET 853 HE3 MET 853 8.373 14.668 -13.578 27 H ALA 854 H ALA 854 8.402 8.662 -13.868 28 HA ALA 854 HA ALA 854 7.759 9.213 -11.079 29 HB1 ALA 854 HB1 ALA 854 6.966 6.941 -10.721 30 HB2 ALA 854 HB2 ALA 854 7.166 6.597 -12.440 31 HB3 ALA 854 HB3 ALA 854 5.977 7.786 -11.913 32 H MET 855 H MET 855 9.401 8.912 -9.775 33 HA MET 855 HA MET 855 11.390 6.870 -10.348 34 HB2 MET 855 HB2 MET 855 11.986 9.738 -9.566 35 HB3 MET 855 HB1 MET 855 13.153 8.437 -9.461 36 HG2 MET 855 HG2 MET 855 13.013 8.143 -11.892 37 HG3 MET 855 HG1 MET 855 11.874 9.486 -11.974 38 HE1 MET 855 HE1 MET 855 14.593 9.294 -13.638 39 HE2 MET 855 HE2 MET 855 15.209 10.938 -13.492 40 HE3 MET 855 HE3 MET 855 13.487 10.662 -13.762 41 H ALA 856 H ALA 856 11.930 5.777 -8.550 42 HA ALA 856 HA ALA 856 11.790 4.929 -6.462 43 HB1 ALA 856 HB1 ALA 856 12.009 6.434 -4.580 44 HB2 ALA 856 HB2 ALA 856 11.593 7.822 -5.599 45 HB3 ALA 856 HB3 ALA 856 13.104 6.938 -5.871 46 H TYR 857 H TYR 857 10.199 6.138 -4.201 47 HA TYR 857 HA TYR 857 7.573 5.651 -5.384 48 HD1 TYR 857 HD2 TYR 857 10.310 3.489 -3.674 49 HD2 TYR 857 HD1 TYR 857 6.181 2.895 -4.497 50 HE1 TYR 857 HE2 TYR 857 10.827 1.297 -4.519 51 HE2 TYR 857 HE1 TYR 857 6.670 0.658 -5.356 52 HH TYR 857 HH TYR 857 9.627 -0.878 -4.840 53 HB2 TYR 857 HB2 TYR 857 8.567 4.887 -2.650 54 HB3 TYR 857 HB1 TYR 857 6.886 4.742 -3.151 55 H VAL 858 H VAL 858 9.310 8.082 -4.498 56 HA VAL 858 HA VAL 858 7.087 9.544 -3.271 57 HB VAL 858 HB VAL 858 10.005 9.863 -2.465 58 HG11 VAL 858 HG11 VAL 858 7.566 11.368 -1.507 59 HG12 VAL 858 HG12 VAL 858 8.859 12.013 -2.516 60 HG13 VAL 858 HG13 VAL 858 9.197 11.530 -0.854 61 HG21 VAL 858 HG21 VAL 858 9.286 9.180 -0.233 62 HG22 VAL 858 HG22 VAL 858 8.959 7.910 -1.420 63 HG23 VAL 858 HG23 VAL 858 7.649 8.937 -0.836 64 H ILE 859 H ILE 859 6.486 10.983 -4.643 65 HA ILE 859 HA ILE 859 8.536 12.522 -6.084 66 HB ILE 859 HB ILE 859 5.636 12.153 -7.003 67 HG12 ILE 859 HG12 ILE 859 8.087 10.725 -8.058 68 HG13 ILE 859 HG11 ILE 859 6.835 9.986 -7.061 69 HG21 ILE 859 HG21 ILE 859 6.438 13.039 -9.132 70 HG22 ILE 859 HG22 ILE 859 8.056 13.212 -8.457 71 HG23 ILE 859 HG23 ILE 859 6.724 14.178 -7.815 72 HD11 ILE 859 HD11 ILE 859 6.479 11.156 -9.810 73 HD12 ILE 859 HD12 ILE 859 5.200 10.448 -8.833 74 HD13 ILE 859 HD13 ILE 859 6.525 9.438 -9.417 75 H ARG 860 H ARG 860 7.888 14.872 -6.209 76 HA ARG 860 HA ARG 860 6.216 15.456 -3.919 77 HE ARG 860 HE ARG 860 10.276 16.136 -1.379 78 HB2 ARG 860 HB2 ARG 860 8.323 17.163 -5.217 79 HB3 ARG 860 HB1 ARG 860 7.217 17.751 -3.984 80 HG2 ARG 860 HG2 ARG 860 8.077 16.025 -2.442 81 HG3 ARG 860 HG1 ARG 860 9.242 15.550 -3.675 82 HD2 ARG 860 HD2 ARG 860 10.186 17.794 -3.667 83 HD3 ARG 860 HD1 ARG 860 9.004 18.288 -2.454 84 HH11 ARG 860 HH11 ARG 860 11.219 19.372 -2.485 85 HH12 ARG 860 HH12 ARG 860 12.617 19.464 -1.532 86 HH21 ARG 860 HH21 ARG 860 12.219 16.264 -0.015 87 HH22 ARG 860 HH22 ARG 860 13.212 17.646 -0.133 88 H ASP 861 H ASP 861 4.475 16.382 -4.030 89 HA ASP 861 HA ASP 861 3.104 17.085 -6.433 90 HB2 ASP 861 HB2 ASP 861 1.790 16.263 -4.626 91 HB3 ASP 861 HB1 ASP 861 2.604 17.375 -3.506 92 H GLU 862 H GLU 862 2.005 19.267 -6.374 93 HA GLU 862 HA GLU 862 3.900 21.240 -6.960 94 HB2 GLU 862 HB2 GLU 862 0.973 21.605 -6.387 95 HB3 GLU 862 HB1 GLU 862 2.021 22.750 -7.207 96 HG2 GLU 862 HG2 GLU 862 2.372 21.123 -8.998 97 HG3 GLU 862 HG1 GLU 862 1.295 20.006 -8.168 98 H TRP 863 H TRP 863 1.921 20.651 -4.084 99 HA TRP 863 HA TRP 863 2.872 23.112 -2.915 100 HD1 TRP 863 HD TRP 863 -0.979 20.905 -3.373 101 HE1 TRP 863 HE1 TRP 863 -2.370 22.587 -4.708 102 HE3 TRP 863 HE3 TRP 863 1.644 25.149 -2.310 103 HZ2 TRP 863 HZ2 TRP 863 -2.358 25.355 -5.268 104 HZ3 TRP 863 HZ3 TRP 863 0.891 27.270 -3.298 105 HH2 TRP 863 HH TRP 863 -1.066 27.359 -4.743 106 HB2 TRP 863 HB2 TRP 863 1.000 21.041 -1.764 107 HB3 TRP 863 HB1 TRP 863 1.325 22.639 -1.090 108 H GLY 864 H GLY 864 4.142 20.218 -3.337 109 HA2 GLY 864 HA2 GLY 864 6.130 19.439 -2.403 110 HA3 GLY 864 HA1 GLY 864 5.825 20.418 -0.977 111 H ASN 865 H ASN 865 3.139 18.665 -1.998 112 HA ASN 865 HA ASN 865 3.254 17.013 0.333 113 HB2 ASN 865 HB2 ASN 865 1.287 16.901 -1.987 114 HB3 ASN 865 HB1 ASN 865 1.129 15.984 -0.502 115 HD21 ASN 865 HD21 ASN 865 0.555 18.974 -2.068 116 HD22 ASN 865 HD22 ASN 865 -0.123 19.773 -0.698 117 H GLN 866 H GLN 866 3.168 14.652 0.269 118 HA GLN 866 HA GLN 866 5.118 13.813 -1.678 119 HB2 GLN 866 HB2 GLN 866 4.175 12.526 0.860 120 HB3 GLN 866 HB1 GLN 866 5.250 11.723 -0.279 121 HG2 GLN 866 HG2 GLN 866 6.861 13.512 -0.048 122 HG3 GLN 866 HG1 GLN 866 5.785 14.340 1.074 123 HE21 GLN 866 HE21 GLN 866 8.505 13.350 1.421 124 HE22 GLN 866 HE22 GLN 866 8.475 12.233 2.733 125 H ILE 867 H ILE 867 4.554 13.059 -3.400 126 HA ILE 867 HA ILE 867 2.018 11.762 -3.848 127 HB ILE 867 HB ILE 867 4.415 12.222 -5.580 128 HG12 ILE 867 HG12 ILE 867 3.188 14.270 -5.096 129 HG13 ILE 867 HG11 ILE 867 3.025 13.820 -6.792 130 HG21 ILE 867 HG21 ILE 867 3.330 10.203 -6.352 131 HG22 ILE 867 HG22 ILE 867 3.016 11.498 -7.509 132 HG23 ILE 867 HG23 ILE 867 1.765 11.016 -6.356 133 HD11 ILE 867 HD11 ILE 867 0.903 14.605 -5.931 134 HD12 ILE 867 HD12 ILE 867 0.964 13.401 -4.642 135 HD13 ILE 867 HD13 ILE 867 0.828 12.884 -6.326 136 H TRP 868 H TRP 868 1.749 9.777 -3.457 137 HA TRP 868 HA TRP 868 3.979 8.082 -2.813 138 HD1 TRP 868 HD TRP 868 3.052 5.135 -1.576 139 HE1 TRP 868 HE1 TRP 868 4.283 4.963 0.772 140 HE3 TRP 868 HE3 TRP 868 2.367 9.869 -0.078 141 HZ2 TRP 868 HZ2 TRP 868 4.807 6.730 2.925 142 HZ3 TRP 868 HZ3 TRP 868 3.241 10.612 2.121 143 HH2 TRP 868 HH TRP 868 4.429 9.057 3.579 144 HB2 TRP 868 HB2 TRP 868 1.402 8.480 -1.844 145 HB3 TRP 868 HB1 TRP 868 1.413 6.867 -2.556 146 H ILE 869 H ILE 869 4.525 6.387 -3.990 147 HA ILE 869 HA ILE 869 2.872 5.808 -6.295 148 HB ILE 869 HB ILE 869 5.776 5.192 -5.731 149 HG12 ILE 869 HG12 ILE 869 4.380 6.905 -7.788 150 HG13 ILE 869 HG11 ILE 869 5.379 7.467 -6.450 151 HG21 ILE 869 HG21 ILE 869 4.813 3.253 -6.847 152 HG22 ILE 869 HG22 ILE 869 5.892 4.121 -7.942 153 HG23 ILE 869 HG23 ILE 869 4.144 4.290 -8.107 154 HD11 ILE 869 HD11 ILE 869 6.506 7.667 -8.533 155 HD12 ILE 869 HD12 ILE 869 6.227 5.970 -8.896 156 HD13 ILE 869 HD13 ILE 869 7.319 6.424 -7.572 157 H CYS 870 H CYS 870 1.808 4.029 -6.372 158 HA CYS 870 HA CYS 870 1.613 2.305 -4.105 159 HB2 CYS 870 HB2 CYS 870 -0.346 3.137 -5.288 160 HB3 CYS 870 HB1 CYS 870 0.249 2.493 -6.790 161 HA PRO 871 HA PRO 871 4.849 -0.388 -5.904 162 HB2 PRO 871 HB2 PRO 871 3.995 -2.068 -3.616 163 HB3 PRO 871 HB1 PRO 871 5.610 -1.511 -4.059 164 HG2 PRO 871 HG2 PRO 871 4.315 -0.426 -1.992 165 HG3 PRO 871 HG1 PRO 871 5.324 0.557 -3.068 166 HD2 PRO 871 HD2 PRO 871 2.327 0.363 -2.962 167 HD3 PRO 871 HD1 PRO 871 3.390 1.748 -3.248 168 H GLY 872 H GLY 872 1.523 -0.913 -5.625 169 HA2 GLY 872 HA2 GLY 872 1.576 -3.649 -6.569 170 HA3 GLY 872 HA1 GLY 872 0.144 -2.663 -6.298 171 H CYS 873 H CYS 873 1.478 -0.458 -7.930 172 HA CYS 873 HA CYS 873 0.876 -1.618 -10.574 173 HB2 CYS 873 HB2 CYS 873 -0.097 0.610 -11.086 174 HB3 CYS 873 HB1 CYS 873 -0.945 -0.276 -9.823 175 H ASN 874 H ASN 874 2.726 0.638 -8.676 176 HA ASN 874 HA ASN 874 4.663 1.680 -8.898 177 HB2 ASN 874 HB2 ASN 874 4.833 0.490 -11.692 178 HB3 ASN 874 HB1 ASN 874 6.050 1.580 -11.040 179 HD21 ASN 874 HD21 ASN 874 4.733 -1.601 -10.989 180 HD22 ASN 874 HD22 ASN 874 5.943 -2.329 -10.010 181 H LYS 875 H LYS 875 1.949 2.555 -9.610 182 HA LYS 875 HA LYS 875 2.600 4.877 -11.278 183 HB2 LYS 875 HB2 LYS 875 -0.065 3.931 -10.233 184 HB3 LYS 875 HB1 LYS 875 0.216 5.275 -11.326 185 HG2 LYS 875 HG2 LYS 875 0.849 3.847 -13.065 186 HG3 LYS 875 HG1 LYS 875 0.918 2.442 -11.993 187 HD2 LYS 875 HD2 LYS 875 -1.531 2.786 -11.523 188 HD3 LYS 875 HD1 LYS 875 -1.539 4.017 -12.784 189 HE2 LYS 875 HE2 LYS 875 -0.933 2.370 -14.439 190 HE3 LYS 875 HE1 LYS 875 -0.765 1.140 -13.185 191 HZ1 LYS 875 HZ1 LYS 875 -3.289 2.518 -13.933 192 HZ2 LYS 875 HZ2 LYS 875 -3.134 1.388 -12.699 193 HZ3 LYS 875 HZ3 LYS 875 -2.903 0.920 -14.284 194 HA PRO 876 HA PRO 876 2.519 7.381 -7.558 195 HB2 PRO 876 HB2 PRO 876 2.315 9.741 -8.811 196 HB3 PRO 876 HB1 PRO 876 3.848 8.899 -8.664 197 HG2 PRO 876 HG2 PRO 876 2.023 9.126 -11.010 198 HG3 PRO 876 HG1 PRO 876 3.791 9.033 -10.979 199 HD2 PRO 876 HD2 PRO 876 2.141 6.910 -11.594 200 HD3 PRO 876 HD1 PRO 876 3.771 6.725 -10.967 201 H ASP 877 H ASP 877 1.007 8.561 -6.452 202 HA ASP 877 HA ASP 877 -1.649 8.177 -7.370 203 HB2 ASP 877 HB2 ASP 877 -1.161 7.823 -5.014 204 HB3 ASP 877 HB1 ASP 877 -0.705 9.512 -4.827 205 H ASP 878 H ASP 878 -3.192 9.653 -7.709 206 HA ASP 878 HA ASP 878 -2.210 12.272 -8.674 207 HB2 ASP 878 HB2 ASP 878 -4.653 10.696 -9.516 208 HB3 ASP 878 HB1 ASP 878 -4.223 12.285 -10.127 209 H GLY 879 H GLY 879 -3.685 10.984 -6.077 210 HA2 GLY 879 HA2 GLY 879 -4.753 12.285 -4.421 211 HA3 GLY 879 HA1 GLY 879 -5.494 13.257 -5.698 212 H SER 880 H SER 880 -5.197 9.774 -5.074 213 HA SER 880 HA SER 880 -8.037 9.483 -5.804 214 HG SER 880 HG SER 880 -5.006 8.646 -6.844 215 HB2 SER 880 HB2 SER 880 -6.049 7.243 -5.656 216 HB3 SER 880 HB1 SER 880 -7.477 7.394 -6.675 217 HA PRO 881 HA PRO 881 -8.698 7.733 -1.662 218 HB2 PRO 881 HB2 PRO 881 -10.161 5.464 -2.869 219 HB3 PRO 881 HB1 PRO 881 -10.756 6.691 -1.746 220 HG2 PRO 881 HG2 PRO 881 -11.517 6.651 -4.321 221 HG3 PRO 881 HG1 PRO 881 -11.294 8.169 -3.435 222 HD2 PRO 881 HD2 PRO 881 -9.473 6.845 -5.412 223 HD3 PRO 881 HD1 PRO 881 -9.862 8.566 -5.218 224 H MET 882 H MET 882 -6.962 6.773 -0.789 225 HA MET 882 HA MET 882 -6.005 4.304 -2.042 226 HB2 MET 882 HB2 MET 882 -4.364 6.231 -0.373 227 HB3 MET 882 HB1 MET 882 -3.782 4.813 -1.236 228 HG2 MET 882 HG2 MET 882 -4.397 5.919 -3.362 229 HG3 MET 882 HG1 MET 882 -4.845 7.355 -2.449 230 HE1 MET 882 HE1 MET 882 -0.578 5.793 -3.192 231 HE2 MET 882 HE2 MET 882 -2.015 5.349 -4.106 232 HE3 MET 882 HE3 MET 882 -1.813 4.770 -2.448 233 H ILE 883 H ILE 883 -4.876 2.899 -0.398 234 HA ILE 883 HA ILE 883 -6.174 3.102 2.197 235 HB ILE 883 HB ILE 883 -7.521 1.519 0.894 236 HG12 ILE 883 HG12 ILE 883 -5.772 -0.064 2.794 237 HG13 ILE 883 HG11 ILE 883 -7.016 1.056 3.328 238 HG21 ILE 883 HG21 ILE 883 -4.976 0.038 0.309 239 HG22 ILE 883 HG22 ILE 883 -5.983 0.898 -0.847 240 HG23 ILE 883 HG23 ILE 883 -6.594 -0.540 -0.054 241 HD11 ILE 883 HD11 ILE 883 -8.702 -0.302 2.215 242 HD12 ILE 883 HD12 ILE 883 -7.785 -1.228 3.407 243 HD13 ILE 883 HD13 ILE 883 -7.444 -1.420 1.688 244 H GLY 884 H GLY 884 -4.969 2.288 3.925 245 HA2 GLY 884 HA2 GLY 884 -2.129 1.905 3.296 246 HA3 GLY 884 HA1 GLY 884 -2.781 2.452 4.838 247 H CYS 885 H CYS 885 -0.970 0.257 4.196 248 HA CYS 885 HA CYS 885 -2.406 -2.215 4.597 249 HB2 CYS 885 HB2 CYS 885 -0.368 -2.106 3.200 250 HB3 CYS 885 HB1 CYS 885 0.522 -1.510 4.587 251 H ASP 886 H ASP 886 -1.648 -3.639 6.404 252 HA ASP 886 HA ASP 886 -1.662 -2.180 8.939 253 HB2 ASP 886 HB2 ASP 886 -3.118 -4.192 8.674 254 HB3 ASP 886 HB1 ASP 886 -1.686 -5.177 8.422 255 H ASP 887 H ASP 887 0.419 -3.822 6.797 256 HA ASP 887 HA ASP 887 2.557 -3.953 8.795 257 HB2 ASP 887 HB2 ASP 887 2.014 -5.998 7.437 258 HB3 ASP 887 HB1 ASP 887 2.548 -5.116 6.010 259 H CYS 888 H CYS 888 1.621 -2.436 5.790 260 HA CYS 888 HA CYS 888 4.139 -0.908 5.787 261 HB2 CYS 888 HB2 CYS 888 2.019 -0.862 3.600 262 HB3 CYS 888 HB1 CYS 888 3.659 -0.284 3.529 263 H ASP 889 H ASP 889 4.035 1.341 5.892 264 HA ASP 889 HA ASP 889 1.517 2.529 6.796 265 HB2 ASP 889 HB2 ASP 889 3.478 3.150 8.111 266 HB3 ASP 889 HB1 ASP 889 4.360 3.608 6.662 267 H ASP 890 H ASP 890 3.184 1.920 4.082 268 HA ASP 890 HA ASP 890 2.770 4.198 2.451 269 HB2 ASP 890 HB2 ASP 890 3.170 1.303 1.689 270 HB3 ASP 890 HB1 ASP 890 3.102 2.622 0.534 271 H TRP 891 H TRP 891 1.297 4.503 0.820 272 HA TRP 891 HA TRP 891 -1.300 3.307 1.374 273 HD1 TRP 891 HD TRP 891 0.586 6.639 2.405 274 HE1 TRP 891 HE1 TRP 891 -0.547 7.519 4.578 275 HE3 TRP 891 HE3 TRP 891 -4.214 5.165 1.524 276 HZ2 TRP 891 HZ2 TRP 891 -3.091 7.597 5.714 277 HZ3 TRP 891 HZ3 TRP 891 -5.939 5.696 3.195 278 HH2 TRP 891 HH TRP 891 -5.378 6.884 5.245 279 HB2 TRP 891 HB2 TRP 891 -0.537 5.899 0.022 280 HB3 TRP 891 HB1 TRP 891 -2.185 5.283 0.099 281 H TYR 892 H TYR 892 -2.328 2.206 -0.109 282 HA TYR 892 HA TYR 892 -1.085 1.869 -2.752 283 HD1 TYR 892 HD1 TYR 892 -0.827 0.379 0.714 284 HD2 TYR 892 HD2 TYR 892 -0.011 -1.333 -3.094 285 HE1 TYR 892 HE1 TYR 892 1.314 -0.435 1.560 286 HE2 TYR 892 HE2 TYR 892 2.153 -2.162 -2.250 287 HH TYR 892 HH TYR 892 2.991 -2.104 1.085 288 HB2 TYR 892 HB2 TYR 892 -2.664 -0.103 -1.056 289 HB3 TYR 892 HB1 TYR 892 -2.133 -0.421 -2.702 290 H HIS 893 H HIS 893 -2.569 1.638 -4.488 291 HA HIS 893 HA HIS 893 -4.877 3.396 -4.162 292 HD2 HIS 893 HD2 HIS 893 -4.303 5.768 -5.739 293 HE1 HIS 893 HE1 HIS 893 -0.703 5.073 -7.815 294 HE2 HIS 893 HE2 HIS 893 -2.425 6.770 -7.090 295 HB2 HIS 893 HB2 HIS 893 -3.926 1.928 -6.628 296 HB3 HIS 893 HB1 HIS 893 -5.268 3.051 -6.597 297 H TRP 894 H TRP 894 -7.011 2.864 -4.170 298 HA TRP 894 HA TRP 894 -7.890 0.355 -3.489 299 HD1 TRP 894 HD TRP 894 -7.634 2.000 -1.747 300 HE1 TRP 894 HE1 TRP 894 -8.870 2.786 0.385 301 HE3 TRP 894 HE3 TRP 894 -12.279 2.547 -3.676 302 HZ2 TRP 894 HZ2 TRP 894 -11.465 3.556 1.129 303 HZ3 TRP 894 HZ3 TRP 894 -14.111 3.326 -2.205 304 HH2 TRP 894 HH TRP 894 -13.700 3.811 0.148 305 HB2 TRP 894 HB2 TRP 894 -9.335 2.697 -4.677 306 HB3 TRP 894 HB1 TRP 894 -10.177 1.184 -4.395 307 HA PRO 895 HA PRO 895 -9.135 -0.707 -8.082 308 HB2 PRO 895 HB2 PRO 895 -7.676 0.539 -10.034 309 HB3 PRO 895 HB1 PRO 895 -9.262 1.090 -9.498 310 HG2 PRO 895 HG2 PRO 895 -6.549 2.061 -8.675 311 HG3 PRO 895 HG1 PRO 895 -7.984 3.008 -9.108 312 HD2 PRO 895 HD2 PRO 895 -7.333 2.642 -6.551 313 HD3 PRO 895 HD1 PRO 895 -9.028 2.592 -7.070 314 H CYS 896 H CYS 896 -6.044 -0.245 -6.725 315 HA CYS 896 HA CYS 896 -4.714 -2.061 -8.561 316 HB2 CYS 896 HB2 CYS 896 -3.793 -0.438 -6.223 317 HB3 CYS 896 HB1 CYS 896 -2.731 -1.479 -7.147 318 H VAL 897 H VAL 897 -6.358 -2.052 -5.612 319 HA VAL 897 HA VAL 897 -5.206 -4.650 -4.926 320 HB VAL 897 HB VAL 897 -5.842 -4.100 -2.539 321 HG11 VAL 897 HG11 VAL 897 -3.918 -2.604 -2.184 322 HG12 VAL 897 HG12 VAL 897 -3.959 -2.141 -3.880 323 HG13 VAL 897 HG13 VAL 897 -3.525 -3.787 -3.435 324 HG21 VAL 897 HG21 VAL 897 -6.270 -1.765 -1.984 325 HG22 VAL 897 HG22 VAL 897 -7.496 -2.345 -3.133 326 HG23 VAL 897 HG23 VAL 897 -6.138 -1.365 -3.695 327 H GLY 898 H GLY 898 -7.700 -3.469 -6.410 328 HA2 GLY 898 HA2 GLY 898 -9.752 -4.341 -6.950 329 HA3 GLY 898 HA1 GLY 898 -9.365 -5.709 -5.919 330 H ILE 899 H ILE 899 -9.541 -2.331 -4.935 331 HA ILE 899 HA ILE 899 -11.767 -3.111 -3.216 332 HB ILE 899 HB ILE 899 -9.604 -1.050 -2.734 333 HG12 ILE 899 HG12 ILE 899 -10.498 -3.530 -1.276 334 HG13 ILE 899 HG11 ILE 899 -9.023 -3.352 -2.207 335 HG21 ILE 899 HG21 ILE 899 -10.721 -0.422 -0.675 336 HG22 ILE 899 HG22 ILE 899 -12.068 -1.503 -1.046 337 HG23 ILE 899 HG23 ILE 899 -11.765 -0.091 -2.056 338 HD11 ILE 899 HD11 ILE 899 -8.579 -3.236 0.164 339 HD12 ILE 899 HD12 ILE 899 -9.735 -1.907 0.313 340 HD13 ILE 899 HD13 ILE 899 -8.246 -1.681 -0.608 341 H MET 900 H MET 900 -13.551 -2.346 -3.501 342 HA MET 900 HA MET 900 -13.965 -0.113 -5.341 343 HB2 MET 900 HB2 MET 900 -16.157 -0.993 -5.677 344 HB3 MET 900 HB1 MET 900 -14.980 -2.272 -5.915 345 HG2 MET 900 HG2 MET 900 -16.654 -1.865 -3.447 346 HG3 MET 900 HG1 MET 900 -16.968 -2.998 -4.768 347 HE1 MET 900 HE1 MET 900 -15.538 -5.201 -5.190 348 HE2 MET 900 HE2 MET 900 -14.054 -5.601 -4.326 349 HE3 MET 900 HE3 MET 900 -14.096 -4.206 -5.402 350 H ALA 901 H ALA 901 -14.219 -1.068 -2.032 351 HA ALA 901 HA ALA 901 -15.363 1.429 -1.266 352 HB1 ALA 901 HB1 ALA 901 -16.814 -1.165 -0.737 353 HB2 ALA 901 HB2 ALA 901 -17.398 0.151 -1.756 354 HB3 ALA 901 HB3 ALA 901 -17.211 0.393 -0.016 355 H ALA 902 H ALA 902 -14.998 1.821 0.865 356 HA ALA 902 HA ALA 902 -12.640 0.929 1.916 357 HB1 ALA 902 HB1 ALA 902 -13.258 2.181 3.905 358 HB2 ALA 902 HB2 ALA 902 -14.929 2.250 3.345 359 HB3 ALA 902 HB3 ALA 902 -13.661 3.071 2.436 360 HA PRO 903 HA PRO 903 -14.147 -2.851 3.881 361 HB2 PRO 903 HB2 PRO 903 -11.639 -3.598 4.761 362 HB3 PRO 903 HB1 PRO 903 -12.276 -4.011 3.168 363 HG2 PRO 903 HG2 PRO 903 -10.364 -1.869 3.953 364 HG3 PRO 903 HG1 PRO 903 -10.411 -2.846 2.478 365 HD2 PRO 903 HD2 PRO 903 -11.269 -0.262 2.596 366 HD3 PRO 903 HD1 PRO 903 -11.936 -1.418 1.453 367 HA PRO 904 HA PRO 904 -14.549 -1.299 8.012 368 HB2 PRO 904 HB2 PRO 904 -13.935 -4.015 9.044 369 HB3 PRO 904 HB1 PRO 904 -15.362 -3.009 9.316 370 HG2 PRO 904 HG2 PRO 904 -15.468 -5.131 7.703 371 HG3 PRO 904 HG1 PRO 904 -16.353 -3.645 7.320 372 HD2 PRO 904 HD2 PRO 904 -13.806 -4.688 6.157 373 HD3 PRO 904 HD1 PRO 904 -15.161 -3.847 5.370 374 H GLU 905 H GLU 905 -13.306 -0.522 9.669 375 HA GLU 905 HA GLU 905 -10.485 -0.439 9.417 376 HB2 GLU 905 HB2 GLU 905 -12.167 0.178 11.839 377 HB3 GLU 905 HB1 GLU 905 -10.538 0.744 11.533 378 HG2 GLU 905 HG2 GLU 905 -12.913 1.412 9.859 379 HG3 GLU 905 HG1 GLU 905 -12.288 2.448 11.144 380 H GLU 906 H GLU 906 -12.688 -2.279 11.286 381 HA GLU 906 HA GLU 906 -10.747 -3.554 12.982 382 HB2 GLU 906 HB2 GLU 906 -12.689 -4.954 13.695 383 HB3 GLU 906 HB1 GLU 906 -12.896 -3.219 13.885 384 HG2 GLU 906 HG2 GLU 906 -14.208 -3.172 11.806 385 HG3 GLU 906 HG1 GLU 906 -14.040 -4.922 11.695 386 H MET 907 H MET 907 -11.292 -3.950 9.821 387 HA MET 907 HA MET 907 -10.867 -6.837 9.809 388 HB2 MET 907 HB2 MET 907 -12.516 -5.996 8.221 389 HB3 MET 907 HB1 MET 907 -11.375 -4.797 7.631 390 HG2 MET 907 HG2 MET 907 -9.933 -6.681 6.845 391 HG3 MET 907 HG1 MET 907 -11.243 -7.770 7.291 392 HE1 MET 907 HE1 MET 907 -9.823 -7.494 4.467 393 HE2 MET 907 HE2 MET 907 -11.180 -7.597 3.354 394 HE3 MET 907 HE3 MET 907 -11.093 -8.693 4.737 395 H GLN 908 H GLN 908 -8.815 -7.592 9.397 396 HA GLN 908 HA GLN 908 -6.788 -5.568 9.177 397 HB2 GLN 908 HB2 GLN 908 -6.528 -8.561 9.278 398 HB3 GLN 908 HB1 GLN 908 -5.174 -7.465 9.165 399 HG2 GLN 908 HG2 GLN 908 -5.866 -6.437 11.331 400 HG3 GLN 908 HG1 GLN 908 -7.097 -7.685 11.477 401 HE21 GLN 908 HE21 GLN 908 -5.407 -9.772 10.354 402 HE22 GLN 908 HE22 GLN 908 -4.239 -10.146 11.573 403 H TRP 909 H TRP 909 -5.571 -5.206 7.473 404 HA TRP 909 HA TRP 909 -6.320 -6.555 5.011 405 HD1 TRP 909 HD TRP 909 -8.219 -5.521 2.727 406 HE1 TRP 909 HE1 TRP 909 -7.344 -4.865 0.397 407 HE3 TRP 909 HE3 TRP 909 -4.272 -2.634 4.124 408 HZ2 TRP 909 HZ2 TRP 909 -5.275 -3.303 -0.692 409 HZ3 TRP 909 HZ3 TRP 909 -2.877 -1.591 2.373 410 HH2 TRP 909 HH TRP 909 -3.374 -1.930 0.016 411 HB2 TRP 909 HB2 TRP 909 -7.723 -4.535 5.165 412 HB3 TRP 909 HB1 TRP 909 -6.277 -3.546 5.360 413 H PHE 910 H PHE 910 -4.714 -6.762 3.584 414 HA PHE 910 HA PHE 910 -2.181 -5.475 4.126 415 HD1 PHE 910 HD1 PHE 910 -0.183 -6.686 5.839 416 HD2 PHE 910 HD2 PHE 910 -3.752 -9.000 5.684 417 HE1 PHE 910 HE1 PHE 910 -0.104 -6.974 8.279 418 HE2 PHE 910 HE2 PHE 910 -3.681 -9.290 8.114 419 HZ PHE 910 HZ PHE 910 -1.861 -8.270 9.422 420 HB2 PHE 910 HB2 PHE 910 -2.589 -8.450 3.688 421 HB3 PHE 910 HB1 PHE 910 -1.025 -7.653 3.719 422 H CYS 911 H CYS 911 -1.200 -4.880 2.306 423 HA CYS 911 HA CYS 911 -2.500 -4.680 -0.159 424 HB2 CYS 911 HB2 CYS 911 -0.207 -3.957 -0.844 425 HB3 CYS 911 HB1 CYS 911 -0.816 -3.150 0.601 426 HA PRO 912 HA PRO 912 -1.430 -8.483 -2.371 427 HB2 PRO 912 HB2 PRO 912 -0.110 -7.418 -4.596 428 HB3 PRO 912 HB1 PRO 912 -1.855 -7.637 -4.455 429 HG2 PRO 912 HG2 PRO 912 -0.216 -5.178 -3.971 430 HG3 PRO 912 HG1 PRO 912 -1.798 -5.328 -4.754 431 HD2 PRO 912 HD2 PRO 912 -1.636 -4.432 -2.278 432 HD3 PRO 912 HD1 PRO 912 -2.915 -5.575 -2.738 433 H LYS 913 H LYS 913 0.893 -6.264 -1.283 434 HA LYS 913 HA LYS 913 3.208 -7.819 -2.013 435 HB2 LYS 913 HB2 LYS 913 3.044 -5.498 -0.083 436 HB3 LYS 913 HB1 LYS 913 4.485 -6.109 -0.884 437 HG2 LYS 913 HG2 LYS 913 2.175 -4.631 -2.161 438 HG3 LYS 913 HG1 LYS 913 3.819 -4.049 -1.920 439 HD2 LYS 913 HD2 LYS 913 3.045 -6.373 -3.691 440 HD3 LYS 913 HD1 LYS 913 3.349 -4.735 -4.254 441 HE2 LYS 913 HE2 LYS 913 5.637 -4.853 -3.542 442 HE3 LYS 913 HE1 LYS 913 5.371 -6.428 -2.792 443 HZ1 LYS 913 HZ1 LYS 913 4.931 -7.356 -4.956 444 HZ2 LYS 913 HZ2 LYS 913 6.441 -6.602 -4.967 445 HZ3 LYS 913 HZ3 LYS 913 5.112 -5.860 -5.696 446 H CYS 914 H CYS 914 1.549 -6.858 1.000 447 HA CYS 914 HA CYS 914 2.978 -8.877 2.456 448 HB2 CYS 914 HB2 CYS 914 0.838 -6.947 3.307 449 HB3 CYS 914 HB1 CYS 914 1.656 -8.064 4.406 450 H ALA 915 H ALA 915 -0.062 -8.711 0.863 451 HA ALA 915 HA ALA 915 -1.339 -10.827 2.208 452 HB1 ALA 915 HB1 ALA 915 -2.772 -10.998 0.236 453 HB2 ALA 915 HB2 ALA 915 -1.648 -9.993 -0.680 454 HB3 ALA 915 HB3 ALA 915 -2.534 -9.308 0.683 455 H ASN 916 H ASN 916 1.165 -10.704 -0.173 456 HA ASN 916 HA ASN 916 0.948 -13.467 -0.928 457 HB2 ASN 916 HB2 ASN 916 1.906 -11.615 -2.388 458 HB3 ASN 916 HB1 ASN 916 3.335 -11.658 -1.368 459 HD21 ASN 916 HD21 ASN 916 1.445 -14.484 -2.357 460 HD22 ASN 916 HD22 ASN 916 2.662 -15.203 -3.308 461 H LYS 917 H LYS 917 2.034 -11.937 1.780 462 HA LYS 917 HA LYS 917 4.140 -13.814 2.524 463 HB2 LYS 917 HB2 LYS 917 2.629 -11.761 4.174 464 HB3 LYS 917 HB1 LYS 917 3.994 -12.703 4.741 465 HG2 LYS 917 HG2 LYS 917 5.481 -11.569 3.246 466 HG3 LYS 917 HG1 LYS 917 4.131 -10.757 2.453 467 HD2 LYS 917 HD2 LYS 917 3.612 -9.549 4.523 468 HD3 LYS 917 HD1 LYS 917 4.916 -10.398 5.353 469 HE2 LYS 917 HE2 LYS 917 6.569 -9.326 4.047 470 HE3 LYS 917 HE1 LYS 917 5.372 -8.708 2.914 471 HZ1 LYS 917 HZ1 LYS 917 6.198 -7.004 4.432 472 HZ2 LYS 917 HZ2 LYS 917 5.620 -7.833 5.770 473 HZ3 LYS 917 HZ3 LYS 917 4.552 -7.217 4.611 474 H ILE 918 H ILE 918 0.779 -13.240 3.015 475 HA ILE 918 HA ILE 918 0.421 -15.406 4.901 476 HB ILE 918 HB ILE 918 -1.578 -13.558 3.555 477 HG12 ILE 918 HG12 ILE 918 -0.394 -13.482 6.344 478 HG13 ILE 918 HG11 ILE 918 0.036 -12.404 5.023 479 HG21 ILE 918 HG21 ILE 918 -3.160 -14.306 5.261 480 HG22 ILE 918 HG22 ILE 918 -1.949 -15.419 5.896 481 HG23 ILE 918 HG23 ILE 918 -2.608 -15.665 4.278 482 HD11 ILE 918 HD11 ILE 918 -1.461 -11.334 6.601 483 HD12 ILE 918 HD12 ILE 918 -2.657 -12.605 6.350 484 HD13 ILE 918 HD13 ILE 918 -2.238 -11.515 5.029 485 H LYS 919 H LYS 919 -0.653 -14.556 1.635 486 HA LYS 919 HA LYS 919 -1.177 -17.375 1.115 487 HB2 LYS 919 HB2 LYS 919 -3.115 -15.809 0.899 488 HB3 LYS 919 HB1 LYS 919 -2.211 -14.892 -0.289 489 HG2 LYS 919 HG2 LYS 919 -2.340 -16.673 -1.867 490 HG3 LYS 919 HG1 LYS 919 -2.991 -17.776 -0.647 491 HD2 LYS 919 HD2 LYS 919 -4.985 -16.367 -0.431 492 HD3 LYS 919 HD1 LYS 919 -4.337 -15.259 -1.633 493 HE2 LYS 919 HE2 LYS 919 -4.937 -18.164 -2.148 494 HE3 LYS 919 HE1 LYS 919 -6.062 -16.857 -2.493 495 HZ1 LYS 919 HZ1 LYS 919 -4.862 -17.455 -4.470 496 HZ2 LYS 919 HZ2 LYS 919 -3.376 -17.244 -3.739 497 HZ3 LYS 919 HZ3 LYS 919 -4.363 -15.918 -4.001 498 H LYS 920 H LYS 920 0.747 -18.053 0.519 499 HA LYS 920 HA LYS 920 2.738 -16.475 -0.756 500 HB2 LYS 920 HB2 LYS 920 2.581 -19.464 -0.384 501 HB3 LYS 920 HB1 LYS 920 4.021 -18.573 -0.839 502 HG2 LYS 920 HG2 LYS 920 2.537 -18.196 1.759 503 HG3 LYS 920 HG1 LYS 920 3.915 -19.274 1.557 504 HD2 LYS 920 HD2 LYS 920 3.972 -16.295 1.040 505 HD3 LYS 920 HD1 LYS 920 4.475 -17.051 2.548 506 HE2 LYS 920 HE2 LYS 920 5.704 -17.517 -0.177 507 HE3 LYS 920 HE1 LYS 920 6.396 -16.548 1.116 508 HZ1 LYS 920 HZ1 LYS 920 5.925 -19.500 1.246 509 HZ2 LYS 920 HZ2 LYS 920 6.552 -18.556 2.487 510 HZ3 LYS 920 HZ3 LYS 920 7.406 -18.727 1.059 511 H ASP 921 H ASP 921 0.358 -18.716 -1.850 512 HA ASP 921 HA ASP 921 -0.406 -19.417 -3.796 513 HB2 ASP 921 HB2 ASP 921 1.150 -17.094 -4.925 514 HB3 ASP 921 HB1 ASP 921 0.286 -18.220 -5.965 515 H LYS 922 H LYS 922 -0.044 -21.040 -5.136 516 HA LYS 922 HA LYS 922 2.712 -21.766 -5.689 517 HB2 LYS 922 HB2 LYS 922 2.298 -24.066 -4.829 518 HB3 LYS 922 HB1 LYS 922 2.312 -22.849 -3.566 519 HG2 LYS 922 HG2 LYS 922 -0.154 -22.853 -3.572 520 HG3 LYS 922 HG1 LYS 922 -0.121 -24.123 -4.793 521 HD2 LYS 922 HD2 LYS 922 1.024 -25.608 -3.254 522 HD3 LYS 922 HD1 LYS 922 1.089 -24.333 -2.035 523 HE2 LYS 922 HE2 LYS 922 -1.356 -24.260 -1.999 524 HE3 LYS 922 HE1 LYS 922 -1.409 -25.558 -3.189 525 HZ1 LYS 922 HZ1 LYS 922 -0.215 -25.776 -0.484 526 HZ2 LYS 922 HZ2 LYS 922 -0.331 -27.019 -1.594 527 HZ3 LYS 922 HZ3 LYS 922 -1.722 -26.363 -0.912 528 H LYS 923 H LYS 923 2.486 -24.105 -6.845 529 HA LYS 923 HA LYS 923 0.128 -24.308 -8.493 530 HB2 LYS 923 HB2 LYS 923 1.723 -22.775 -9.723 531 HB3 LYS 923 HB1 LYS 923 2.909 -24.073 -9.675 532 HG2 LYS 923 HG2 LYS 923 1.246 -25.505 -10.897 533 HG3 LYS 923 HG1 LYS 923 0.261 -24.060 -11.103 534 HD2 LYS 923 HD2 LYS 923 1.520 -24.331 -13.105 535 HD3 LYS 923 HD1 LYS 923 2.243 -22.990 -12.215 536 HE2 LYS 923 HE2 LYS 923 3.974 -24.425 -13.126 537 HE3 LYS 923 HE1 LYS 923 3.993 -24.503 -11.373 538 HZ1 LYS 923 HZ1 LYS 923 2.847 -26.665 -11.490 539 HZ2 LYS 923 HZ2 LYS 923 4.235 -26.679 -12.433 540 HZ3 LYS 923 HZ3 LYS 923 2.745 -26.527 -13.164 541 H HIS 924 H HIS 924 -0.019 -26.497 -9.214 542 HA HIS 924 HA HIS 924 2.112 -28.170 -8.139 543 HD1 HIS 924 HD1 HIS 924 0.025 -31.400 -9.398 544 HD2 HIS 924 HD2 HIS 924 1.508 -30.248 -5.702 545 HE1 HIS 924 HE1 HIS 924 1.017 -33.475 -8.391 546 HE2 HIS 924 HE2 HIS 924 2.016 -32.730 -6.222 547 HB2 HIS 924 HB2 HIS 924 -0.158 -28.475 -7.071 548 HB3 HIS 924 HB1 HIS 924 -0.740 -29.040 -8.637 Start of MODEL 3 1 H1 GLY 850 HT1 GLY 850 13.324 8.335 -19.585 2 H2 GLY 850 HT2 GLY 850 13.611 6.831 -20.205 3 H3 GLY 850 HT3 GLY 850 13.086 8.094 -21.244 4 HA2 GLY 850 HA1 GLY 850 15.432 7.719 -21.530 5 HA3 GLY 850 HA2 GLY 850 15.155 9.278 -20.760 6 H SER 851 H SER 851 17.327 9.114 -19.885 7 HA SER 851 HA SER 851 17.850 6.941 -18.088 8 HG SER 851 HG SER 851 20.381 8.487 -16.873 9 HB2 SER 851 HB2 SER 851 19.643 7.947 -19.515 10 HB3 SER 851 HB1 SER 851 19.504 9.436 -18.584 11 H HIS 852 H HIS 852 16.322 7.112 -16.499 12 HA HIS 852 HA HIS 852 16.922 8.802 -14.298 13 HD2 HIS 852 HD2 HIS 852 15.805 11.640 -13.048 14 HE1 HIS 852 HE1 HIS 852 12.051 10.196 -11.718 15 HE2 HIS 852 HE2 HIS 852 13.855 11.923 -11.341 16 HB2 HIS 852 HB2 HIS 852 15.568 10.432 -15.596 17 HB3 HIS 852 HB1 HIS 852 14.284 9.240 -15.731 18 H MET 853 H MET 853 16.981 7.077 -13.003 19 HA MET 853 HA MET 853 14.569 5.441 -12.915 20 HB2 MET 853 HB2 MET 853 15.883 3.585 -12.062 21 HB3 MET 853 HB1 MET 853 16.588 4.127 -13.567 22 HG2 MET 853 HG2 MET 853 17.630 4.756 -10.803 23 HG3 MET 853 HG1 MET 853 18.276 3.527 -11.880 24 HE1 MET 853 HE1 MET 853 19.561 4.100 -14.161 25 HE2 MET 853 HE2 MET 853 19.784 5.741 -14.771 26 HE3 MET 853 HE3 MET 853 18.169 5.038 -14.705 27 H ALA 854 H ALA 854 13.515 5.330 -11.036 28 HA ALA 854 HA ALA 854 14.405 7.120 -8.944 29 HB1 ALA 854 HB1 ALA 854 12.059 7.216 -9.649 30 HB2 ALA 854 HB2 ALA 854 12.183 6.703 -7.966 31 HB3 ALA 854 HB3 ALA 854 11.854 5.516 -9.227 32 H MET 855 H MET 855 14.668 6.398 -6.798 33 HA MET 855 HA MET 855 15.621 3.649 -6.719 34 HB2 MET 855 HB2 MET 855 15.965 5.881 -4.710 35 HB3 MET 855 HB1 MET 855 16.715 4.295 -4.603 36 HG2 MET 855 HG2 MET 855 17.214 6.378 -6.715 37 HG3 MET 855 HG1 MET 855 18.306 5.922 -5.409 38 HE1 MET 855 HE1 MET 855 19.097 6.028 -8.540 39 HE2 MET 855 HE2 MET 855 20.096 4.579 -8.649 40 HE3 MET 855 HE3 MET 855 20.228 5.638 -7.245 41 H ALA 856 H ALA 856 13.654 5.836 -4.729 42 HA ALA 856 HA ALA 856 11.978 3.527 -4.201 43 HB1 ALA 856 HB1 ALA 856 11.479 4.380 -2.021 44 HB2 ALA 856 HB2 ALA 856 12.619 5.729 -2.249 45 HB3 ALA 856 HB3 ALA 856 13.199 4.045 -2.195 46 H TYR 857 H TYR 857 9.789 4.141 -3.708 47 HA TYR 857 HA TYR 857 9.144 6.241 -5.621 48 HD1 TYR 857 HD2 TYR 857 9.374 2.231 -5.164 49 HD2 TYR 857 HD1 TYR 857 8.555 4.965 -8.281 50 HE1 TYR 857 HE2 TYR 857 10.843 0.966 -6.582 51 HE2 TYR 857 HE1 TYR 857 10.031 3.703 -9.793 52 HH TYR 857 HH TYR 857 11.093 0.583 -9.096 53 HB2 TYR 857 HB2 TYR 857 7.530 3.762 -4.999 54 HB3 TYR 857 HB1 TYR 857 7.236 4.937 -6.281 55 H VAL 858 H VAL 858 9.453 7.416 -3.619 56 HA VAL 858 HA VAL 858 6.813 8.009 -2.471 57 HB VAL 858 HB VAL 858 9.405 8.094 -0.864 58 HG11 VAL 858 HG11 VAL 858 7.961 8.617 1.056 59 HG12 VAL 858 HG12 VAL 858 6.564 8.656 -0.019 60 HG13 VAL 858 HG13 VAL 858 7.856 9.841 -0.206 61 HG21 VAL 858 HG21 VAL 858 7.068 6.199 -0.572 62 HG22 VAL 858 HG22 VAL 858 8.457 6.287 0.510 63 HG23 VAL 858 HG23 VAL 858 8.673 5.777 -1.167 64 H ILE 859 H ILE 859 6.327 9.986 -3.110 65 HA ILE 859 HA ILE 859 8.511 11.871 -3.705 66 HB ILE 859 HB ILE 859 5.633 11.921 -4.769 67 HG12 ILE 859 HG12 ILE 859 8.155 11.083 -6.207 68 HG13 ILE 859 HG11 ILE 859 6.916 9.976 -5.624 69 HG21 ILE 859 HG21 ILE 859 6.457 13.582 -6.358 70 HG22 ILE 859 HG22 ILE 859 8.044 13.523 -5.593 71 HG23 ILE 859 HG23 ILE 859 6.654 14.130 -4.690 72 HD11 ILE 859 HD11 ILE 859 6.707 10.389 -8.012 73 HD12 ILE 859 HD12 ILE 859 6.533 12.117 -7.708 74 HD13 ILE 859 HD13 ILE 859 5.299 10.996 -7.143 75 H ARG 860 H ARG 860 8.205 14.049 -2.910 76 HA ARG 860 HA ARG 860 6.202 14.222 -0.802 77 HE ARG 860 HE ARG 860 11.033 15.147 -0.559 78 HB2 ARG 860 HB2 ARG 860 8.741 15.844 -1.126 79 HB3 ARG 860 HB1 ARG 860 7.582 16.006 0.186 80 HG2 ARG 860 HG2 ARG 860 8.070 13.736 0.921 81 HG3 ARG 860 HG1 ARG 860 9.216 13.542 -0.406 82 HD2 ARG 860 HD2 ARG 860 9.400 15.595 1.781 83 HD3 ARG 860 HD1 ARG 860 10.305 14.080 1.742 84 HH11 ARG 860 HH11 ARG 860 10.806 16.654 2.643 85 HH12 ARG 860 HH12 ARG 860 12.030 17.800 2.325 86 HH21 ARG 860 HH21 ARG 860 12.753 16.735 -0.941 87 HH22 ARG 860 HH22 ARG 860 13.121 17.870 0.263 88 H ASP 861 H ASP 861 4.757 15.680 -0.890 89 HA ASP 861 HA ASP 861 4.318 17.188 -3.309 90 HB2 ASP 861 HB2 ASP 861 2.439 16.110 -2.152 91 HB3 ASP 861 HB1 ASP 861 2.813 17.055 -0.701 92 H GLU 862 H GLU 862 3.490 19.537 -2.858 93 HA GLU 862 HA GLU 862 5.814 21.010 -2.063 94 HB2 GLU 862 HB2 GLU 862 4.515 23.030 -2.654 95 HB3 GLU 862 HB1 GLU 862 4.558 21.835 -3.938 96 HG2 GLU 862 HG2 GLU 862 2.283 21.139 -3.357 97 HG3 GLU 862 HG1 GLU 862 2.258 22.323 -2.050 98 H TRP 863 H TRP 863 2.816 20.170 -0.524 99 HA TRP 863 HA TRP 863 3.309 21.974 1.648 100 HD1 TRP 863 HD TRP 863 0.004 20.499 -0.826 101 HE1 TRP 863 HE1 TRP 863 -1.052 22.649 -1.692 102 HE3 TRP 863 HE3 TRP 863 1.674 23.630 2.753 103 HZ2 TRP 863 HZ2 TRP 863 -1.154 25.391 -0.947 104 HZ3 TRP 863 HZ3 TRP 863 1.066 26.046 2.626 105 HH2 TRP 863 HH TRP 863 -0.325 26.879 0.798 106 HB2 TRP 863 HB2 TRP 863 1.245 19.791 1.315 107 HB3 TRP 863 HB1 TRP 863 1.279 20.967 2.628 108 H GLY 864 H GLY 864 4.839 19.361 0.706 109 HA2 GLY 864 HA2 GLY 864 6.344 17.977 1.674 110 HA3 GLY 864 HA1 GLY 864 6.040 18.700 3.228 111 H ASN 865 H ASN 865 3.473 17.421 1.383 112 HA ASN 865 HA ASN 865 2.978 15.359 3.365 113 HB2 ASN 865 HB2 ASN 865 1.414 16.169 0.890 114 HB3 ASN 865 HB1 ASN 865 0.893 14.961 2.060 115 HD21 ASN 865 HD21 ASN 865 -0.334 17.511 1.239 116 HD22 ASN 865 HD22 ASN 865 -0.555 18.377 2.705 117 H GLN 866 H GLN 866 2.709 13.088 2.702 118 HA GLN 866 HA GLN 866 4.701 12.550 0.709 119 HB2 GLN 866 HB2 GLN 866 3.358 10.731 2.662 120 HB3 GLN 866 HB1 GLN 866 4.416 10.148 1.388 121 HG2 GLN 866 HG2 GLN 866 6.178 11.659 2.296 122 HG3 GLN 866 HG1 GLN 866 5.107 11.973 3.658 123 HE21 GLN 866 HE21 GLN 866 4.113 9.169 3.592 124 HE22 GLN 866 HE22 GLN 866 5.372 8.210 4.253 125 H ILE 867 H ILE 867 4.464 11.867 -1.114 126 HA ILE 867 HA ILE 867 1.829 11.081 -2.052 127 HB ILE 867 HB ILE 867 4.307 11.933 -3.489 128 HG12 ILE 867 HG12 ILE 867 3.116 13.804 -2.493 129 HG13 ILE 867 HG11 ILE 867 2.995 13.820 -4.255 130 HG21 ILE 867 HG21 ILE 867 2.959 11.784 -5.587 131 HG22 ILE 867 HG22 ILE 867 1.625 11.126 -4.628 132 HG23 ILE 867 HG23 ILE 867 3.120 10.212 -4.781 133 HD11 ILE 867 HD11 ILE 867 0.865 12.859 -2.375 134 HD12 ILE 867 HD12 ILE 867 0.807 12.877 -4.139 135 HD13 ILE 867 HD13 ILE 867 0.880 14.407 -3.241 136 H TRP 868 H TRP 868 1.662 9.165 -1.796 137 HA TRP 868 HA TRP 868 3.877 7.322 -1.802 138 HD1 TRP 868 HD TRP 868 4.005 5.912 0.753 139 HE1 TRP 868 HE1 TRP 868 3.668 6.825 3.118 140 HE3 TRP 868 HE3 TRP 868 -0.323 8.525 -0.028 141 HZ2 TRP 868 HZ2 TRP 868 1.783 8.464 4.493 142 HZ3 TRP 868 HZ3 TRP 868 -1.328 9.730 1.862 143 HH2 TRP 868 HH TRP 868 -0.295 9.703 4.068 144 HB2 TRP 868 HB2 TRP 868 0.951 6.967 -1.388 145 HB3 TRP 868 HB1 TRP 868 2.097 5.623 -1.308 146 H ILE 869 H ILE 869 4.374 5.996 -3.377 147 HA ILE 869 HA ILE 869 2.659 5.971 -5.711 148 HB ILE 869 HB ILE 869 5.570 5.282 -5.326 149 HG12 ILE 869 HG12 ILE 869 4.198 7.405 -6.982 150 HG13 ILE 869 HG11 ILE 869 5.128 7.673 -5.515 151 HG21 ILE 869 HG21 ILE 869 3.912 4.930 -7.830 152 HG22 ILE 869 HG22 ILE 869 4.642 3.645 -6.868 153 HG23 ILE 869 HG23 ILE 869 5.667 4.772 -7.758 154 HD11 ILE 869 HD11 ILE 869 7.154 6.981 -6.711 155 HD12 ILE 869 HD12 ILE 869 6.335 8.328 -7.506 156 HD13 ILE 869 HD13 ILE 869 6.179 6.698 -8.158 157 H CYS 870 H CYS 870 1.640 4.237 -6.222 158 HA CYS 870 HA CYS 870 1.429 2.035 -4.429 159 HB2 CYS 870 HB2 CYS 870 -0.502 3.186 -5.433 160 HB3 CYS 870 HB1 CYS 870 0.124 2.875 -7.030 161 HA PRO 871 HA PRO 871 4.673 0.029 -7.007 162 HB2 PRO 871 HB2 PRO 871 4.147 -2.145 -5.049 163 HB3 PRO 871 HB1 PRO 871 5.686 -1.422 -5.540 164 HG2 PRO 871 HG2 PRO 871 4.641 -0.858 -3.169 165 HG3 PRO 871 HG1 PRO 871 5.421 0.409 -4.138 166 HD2 PRO 871 HD2 PRO 871 2.490 -0.140 -3.766 167 HD3 PRO 871 HD1 PRO 871 3.363 1.407 -3.779 168 H GLY 872 H GLY 872 1.426 -0.622 -6.679 169 HA2 GLY 872 HA2 GLY 872 1.316 -3.154 -8.019 170 HA3 GLY 872 HA1 GLY 872 -0.028 -2.047 -7.742 171 H CYS 873 H CYS 873 0.726 0.226 -8.975 172 HA CYS 873 HA CYS 873 0.798 -0.572 -11.793 173 HB2 CYS 873 HB2 CYS 873 -0.205 1.766 -11.964 174 HB3 CYS 873 HB1 CYS 873 -1.194 0.514 -11.206 175 H ASN 874 H ASN 874 2.430 1.120 -9.303 176 HA ASN 874 HA ASN 874 4.401 2.106 -9.085 177 HB2 ASN 874 HB2 ASN 874 5.272 0.602 -10.930 178 HB3 ASN 874 HB1 ASN 874 4.804 1.820 -12.099 179 HD21 ASN 874 HD21 ASN 874 7.003 1.036 -9.498 180 HD22 ASN 874 HD22 ASN 874 8.206 2.190 -9.905 181 H LYS 875 H LYS 875 1.819 3.259 -9.711 182 HA LYS 875 HA LYS 875 2.522 5.903 -10.778 183 HB2 LYS 875 HB2 LYS 875 -0.127 4.660 -10.085 184 HB3 LYS 875 HB1 LYS 875 0.138 6.317 -10.604 185 HG2 LYS 875 HG2 LYS 875 0.803 5.610 -12.770 186 HG3 LYS 875 HG1 LYS 875 0.830 3.914 -12.271 187 HD2 LYS 875 HD2 LYS 875 -1.227 4.524 -13.551 188 HD3 LYS 875 HD1 LYS 875 -1.551 3.913 -11.932 189 HE2 LYS 875 HE2 LYS 875 -1.824 6.227 -11.126 190 HE3 LYS 875 HE1 LYS 875 -1.528 6.829 -12.752 191 HZ1 LYS 875 HZ1 LYS 875 -3.544 5.747 -13.485 192 HZ2 LYS 875 HZ2 LYS 875 -3.896 6.715 -12.139 193 HZ3 LYS 875 HZ3 LYS 875 -3.769 5.049 -11.962 194 HA PRO 876 HA PRO 876 2.249 7.656 -6.653 195 HB2 PRO 876 HB2 PRO 876 2.046 10.234 -7.492 196 HB3 PRO 876 HB1 PRO 876 3.593 9.401 -7.387 197 HG2 PRO 876 HG2 PRO 876 1.916 10.014 -9.767 198 HG3 PRO 876 HG1 PRO 876 3.680 9.938 -9.626 199 HD2 PRO 876 HD2 PRO 876 2.114 7.968 -10.732 200 HD3 PRO 876 HD1 PRO 876 3.716 7.674 -10.059 201 H ASP 877 H ASP 877 0.649 9.207 -5.650 202 HA ASP 877 HA ASP 877 -1.967 8.507 -6.345 203 HB2 ASP 877 HB2 ASP 877 -1.507 9.268 -4.096 204 HB3 ASP 877 HB1 ASP 877 -1.034 10.855 -4.698 205 H ASP 878 H ASP 878 -2.901 8.918 -8.053 206 HA ASP 878 HA ASP 878 -2.412 11.361 -9.557 207 HB2 ASP 878 HB2 ASP 878 -3.343 10.114 -11.434 208 HB3 ASP 878 HB1 ASP 878 -2.061 9.178 -10.677 209 H GLY 879 H GLY 879 -4.254 10.646 -7.142 210 HA2 GLY 879 HA2 GLY 879 -6.080 12.028 -6.554 211 HA3 GLY 879 HA1 GLY 879 -6.592 12.028 -8.242 212 H SER 880 H SER 880 -5.645 9.440 -6.001 213 HA SER 880 HA SER 880 -8.238 8.237 -6.486 214 HG SER 880 HG SER 880 -5.524 7.553 -8.376 215 HB2 SER 880 HB2 SER 880 -5.569 6.849 -6.353 216 HB3 SER 880 HB1 SER 880 -7.128 6.090 -6.623 217 HA PRO 881 HA PRO 881 -7.985 7.755 -2.030 218 HB2 PRO 881 HB2 PRO 881 -9.548 5.300 -2.099 219 HB3 PRO 881 HB1 PRO 881 -10.069 6.905 -1.582 220 HG2 PRO 881 HG2 PRO 881 -11.007 5.685 -3.835 221 HG3 PRO 881 HG1 PRO 881 -10.896 7.444 -3.659 222 HD2 PRO 881 HD2 PRO 881 -9.012 5.565 -5.052 223 HD3 PRO 881 HD1 PRO 881 -9.586 7.151 -5.584 224 H MET 882 H MET 882 -6.552 6.721 -0.692 225 HA MET 882 HA MET 882 -5.284 4.370 -1.868 226 HB2 MET 882 HB2 MET 882 -3.901 6.500 -0.226 227 HB3 MET 882 HB1 MET 882 -3.143 5.091 -0.959 228 HG2 MET 882 HG2 MET 882 -3.877 5.975 -3.177 229 HG3 MET 882 HG1 MET 882 -4.351 7.460 -2.362 230 HE1 MET 882 HE1 MET 882 -0.051 5.889 -2.928 231 HE2 MET 882 HE2 MET 882 -1.499 5.217 -3.668 232 HE3 MET 882 HE3 MET 882 -1.229 5.031 -1.934 233 H ILE 883 H ILE 883 -4.699 2.756 -0.599 234 HA ILE 883 HA ILE 883 -5.633 2.860 2.160 235 HB ILE 883 HB ILE 883 -7.254 1.512 0.725 236 HG12 ILE 883 HG12 ILE 883 -5.647 -0.310 2.513 237 HG13 ILE 883 HG11 ILE 883 -6.750 0.913 3.135 238 HG21 ILE 883 HG21 ILE 883 -5.809 0.862 -1.028 239 HG22 ILE 883 HG22 ILE 883 -6.600 -0.536 -0.303 240 HG23 ILE 883 HG23 ILE 883 -4.912 -0.188 0.068 241 HD11 ILE 883 HD11 ILE 883 -8.599 -0.179 1.965 242 HD12 ILE 883 HD12 ILE 883 -7.797 -1.272 3.096 243 HD13 ILE 883 HD13 ILE 883 -7.483 -1.406 1.368 244 H GLY 884 H GLY 884 -4.201 1.957 3.621 245 HA2 GLY 884 HA2 GLY 884 -1.692 1.001 2.437 246 HA3 GLY 884 HA1 GLY 884 -1.743 2.063 3.841 247 H CYS 885 H CYS 885 -0.519 -0.492 3.565 248 HA CYS 885 HA CYS 885 -1.918 -2.613 4.680 249 HB2 CYS 885 HB2 CYS 885 0.297 -2.768 3.574 250 HB3 CYS 885 HB1 CYS 885 1.026 -1.920 4.928 251 H ASP 886 H ASP 886 -1.730 -3.482 6.809 252 HA ASP 886 HA ASP 886 -1.871 -1.454 8.903 253 HB2 ASP 886 HB2 ASP 886 -3.551 -3.290 8.888 254 HB3 ASP 886 HB1 ASP 886 -2.255 -4.452 9.127 255 H ASP 887 H ASP 887 0.251 -3.832 7.645 256 HA ASP 887 HA ASP 887 1.811 -4.014 10.079 257 HB2 ASP 887 HB2 ASP 887 1.420 -5.978 8.530 258 HB3 ASP 887 HB1 ASP 887 2.462 -5.173 7.364 259 H CYS 888 H CYS 888 2.026 -2.584 6.856 260 HA CYS 888 HA CYS 888 4.165 -0.909 7.881 261 HB2 CYS 888 HB2 CYS 888 5.313 -1.153 5.654 262 HB3 CYS 888 HB1 CYS 888 5.392 -2.557 6.704 263 H ASP 889 H ASP 889 4.529 0.933 6.390 264 HA ASP 889 HA ASP 889 1.954 1.909 5.466 265 HB2 ASP 889 HB2 ASP 889 4.535 3.369 5.991 266 HB3 ASP 889 HB1 ASP 889 3.235 4.108 5.066 267 H ASP 890 H ASP 890 2.143 0.282 3.914 268 HA ASP 890 HA ASP 890 3.538 1.218 1.501 269 HB2 ASP 890 HB2 ASP 890 3.932 -1.155 2.530 270 HB3 ASP 890 HB1 ASP 890 2.336 -1.527 1.892 271 H TRP 891 H TRP 891 2.126 2.544 0.688 272 HA TRP 891 HA TRP 891 -0.732 2.007 0.948 273 HD1 TRP 891 HD TRP 891 1.788 3.934 2.983 274 HE1 TRP 891 HE1 TRP 891 0.763 4.519 5.293 275 HE3 TRP 891 HE3 TRP 891 -3.000 4.898 1.511 276 HZ2 TRP 891 HZ2 TRP 891 -1.748 5.305 6.313 277 HZ3 TRP 891 HZ3 TRP 891 -4.650 5.560 3.192 278 HH2 TRP 891 HH TRP 891 -4.035 5.768 5.555 279 HB2 TRP 891 HB2 TRP 891 0.769 4.565 0.406 280 HB3 TRP 891 HB1 TRP 891 -0.981 4.442 0.283 281 H TYR 892 H TYR 892 -1.999 1.554 -0.624 282 HA TYR 892 HA TYR 892 -1.028 1.766 -3.397 283 HD1 TYR 892 HD2 TYR 892 -0.442 -0.601 -0.741 284 HD2 TYR 892 HD1 TYR 892 -0.670 -1.244 -4.912 285 HE1 TYR 892 HE2 TYR 892 1.642 -1.811 -0.650 286 HE2 TYR 892 HE1 TYR 892 1.447 -2.485 -4.843 287 HH TYR 892 HH TYR 892 3.026 -2.935 -1.691 288 HB2 TYR 892 HB2 TYR 892 -2.614 -0.440 -2.080 289 HB3 TYR 892 HB1 TYR 892 -2.457 -0.271 -3.822 290 H HIS 893 H HIS 893 -2.871 1.642 -4.899 291 HA HIS 893 HA HIS 893 -4.914 3.528 -4.001 292 HD2 HIS 893 HD2 HIS 893 -4.160 5.998 -5.127 293 HE1 HIS 893 HE1 HIS 893 -0.873 5.332 -7.689 294 HE2 HIS 893 HE2 HIS 893 -1.840 6.828 -5.949 295 HB2 HIS 893 HB2 HIS 893 -4.395 2.400 -6.752 296 HB3 HIS 893 HB1 HIS 893 -5.580 3.638 -6.386 297 H TRP 894 H TRP 894 -7.118 3.152 -4.128 298 HA TRP 894 HA TRP 894 -8.118 0.724 -3.366 299 HD1 TRP 894 HD TRP 894 -7.889 2.276 -1.591 300 HE1 TRP 894 HE1 TRP 894 -9.171 3.124 0.497 301 HE3 TRP 894 HE3 TRP 894 -12.446 3.173 -3.721 302 HZ2 TRP 894 HZ2 TRP 894 -11.783 4.053 1.135 303 HZ3 TRP 894 HZ3 TRP 894 -14.265 4.040 -2.319 304 HH2 TRP 894 HH TRP 894 -13.927 4.469 0.063 305 HB2 TRP 894 HB2 TRP 894 -9.420 3.114 -4.597 306 HB3 TRP 894 HB1 TRP 894 -10.376 1.662 -4.374 307 HA PRO 895 HA PRO 895 -9.578 -0.466 -7.866 308 HB2 PRO 895 HB2 PRO 895 -8.257 0.702 -9.948 309 HB3 PRO 895 HB1 PRO 895 -9.774 1.326 -9.287 310 HG2 PRO 895 HG2 PRO 895 -6.958 2.186 -8.685 311 HG3 PRO 895 HG1 PRO 895 -8.374 3.194 -9.057 312 HD2 PRO 895 HD2 PRO 895 -7.566 2.857 -6.551 313 HD3 PRO 895 HD1 PRO 895 -9.294 2.865 -6.946 314 H CYS 896 H CYS 896 -6.347 -0.012 -6.829 315 HA CYS 896 HA CYS 896 -5.220 -1.889 -8.708 316 HB2 CYS 896 HB2 CYS 896 -4.106 -0.446 -6.347 317 HB3 CYS 896 HB1 CYS 896 -3.126 -1.356 -7.484 318 H VAL 897 H VAL 897 -6.381 -1.874 -5.426 319 HA VAL 897 HA VAL 897 -5.325 -4.584 -5.125 320 HB VAL 897 HB VAL 897 -5.485 -4.189 -2.634 321 HG11 VAL 897 HG11 VAL 897 -3.644 -2.411 -4.244 322 HG12 VAL 897 HG12 VAL 897 -3.357 -4.101 -3.844 323 HG13 VAL 897 HG13 VAL 897 -3.392 -2.887 -2.567 324 HG21 VAL 897 HG21 VAL 897 -5.455 -1.789 -1.947 325 HG22 VAL 897 HG22 VAL 897 -6.982 -2.356 -2.605 326 HG23 VAL 897 HG23 VAL 897 -5.907 -1.377 -3.606 327 H GLY 898 H GLY 898 -8.061 -3.119 -5.837 328 HA2 GLY 898 HA2 GLY 898 -10.048 -4.312 -6.206 329 HA3 GLY 898 HA1 GLY 898 -9.486 -5.487 -5.024 330 H ILE 899 H ILE 899 -9.797 -1.993 -4.589 331 HA ILE 899 HA ILE 899 -11.773 -2.578 -2.503 332 HB ILE 899 HB ILE 899 -10.273 0.018 -2.935 333 HG12 ILE 899 HG12 ILE 899 -8.747 -1.842 -2.425 334 HG13 ILE 899 HG11 ILE 899 -8.720 -0.594 -1.182 335 HG21 ILE 899 HG21 ILE 899 -10.969 0.487 -0.627 336 HG22 ILE 899 HG22 ILE 899 -11.826 -1.060 -0.590 337 HG23 ILE 899 HG23 ILE 899 -12.352 0.214 -1.687 338 HD11 ILE 899 HD11 ILE 899 -10.171 -2.044 0.193 339 HD12 ILE 899 HD12 ILE 899 -8.601 -2.749 -0.174 340 HD13 ILE 899 HD13 ILE 899 -10.042 -3.306 -1.044 341 H MET 900 H MET 900 -13.769 -2.284 -3.161 342 HA MET 900 HA MET 900 -14.314 -0.617 -5.513 343 HB2 MET 900 HB2 MET 900 -16.107 -2.525 -4.010 344 HB3 MET 900 HB1 MET 900 -16.520 -1.707 -5.502 345 HG2 MET 900 HG2 MET 900 -14.306 -3.721 -5.166 346 HG3 MET 900 HG1 MET 900 -15.901 -4.073 -5.824 347 HE1 MET 900 HE1 MET 900 -16.792 -3.021 -8.122 348 HE2 MET 900 HE2 MET 900 -15.823 -1.970 -9.155 349 HE3 MET 900 HE3 MET 900 -16.387 -1.388 -7.592 350 H ALA 901 H ALA 901 -14.632 -0.637 -2.091 351 HA ALA 901 HA ALA 901 -15.790 1.929 -1.950 352 HB1 ALA 901 HB1 ALA 901 -17.425 -0.471 -1.073 353 HB2 ALA 901 HB2 ALA 901 -17.861 0.665 -2.354 354 HB3 ALA 901 HB3 ALA 901 -17.791 1.210 -0.680 355 H ALA 902 H ALA 902 -15.868 2.499 0.392 356 HA ALA 902 HA ALA 902 -13.652 1.923 1.779 357 HB1 ALA 902 HB1 ALA 902 -15.189 3.741 2.335 358 HB2 ALA 902 HB2 ALA 902 -14.775 2.800 3.768 359 HB3 ALA 902 HB3 ALA 902 -16.342 2.575 2.985 360 HA PRO 903 HA PRO 903 -14.356 -2.400 2.855 361 HB2 PRO 903 HB2 PRO 903 -11.926 -2.705 4.117 362 HB3 PRO 903 HB1 PRO 903 -12.150 -2.829 2.370 363 HG2 PRO 903 HG2 PRO 903 -11.173 -0.531 3.991 364 HG3 PRO 903 HG1 PRO 903 -10.588 -1.134 2.429 365 HD2 PRO 903 HD2 PRO 903 -12.170 1.037 2.604 366 HD3 PRO 903 HD1 PRO 903 -12.282 -0.080 1.250 367 HA PRO 904 HA PRO 904 -15.813 -2.245 7.023 368 HB2 PRO 904 HB2 PRO 904 -14.301 -4.754 7.557 369 HB3 PRO 904 HB1 PRO 904 -16.018 -4.413 7.785 370 HG2 PRO 904 HG2 PRO 904 -15.207 -5.920 5.763 371 HG3 PRO 904 HG1 PRO 904 -16.524 -4.752 5.554 372 HD2 PRO 904 HD2 PRO 904 -13.670 -4.567 4.696 373 HD3 PRO 904 HD1 PRO 904 -15.137 -4.030 3.857 374 H GLU 905 H GLU 905 -15.141 -1.452 8.905 375 HA GLU 905 HA GLU 905 -12.392 -0.696 9.127 376 HB2 GLU 905 HB2 GLU 905 -13.156 0.506 11.176 377 HB3 GLU 905 HB1 GLU 905 -13.976 0.968 9.694 378 HG2 GLU 905 HG2 GLU 905 -15.906 -0.352 10.312 379 HG3 GLU 905 HG1 GLU 905 -15.090 -0.899 11.778 380 H GLU 906 H GLU 906 -14.231 -3.296 10.159 381 HA GLU 906 HA GLU 906 -12.457 -3.936 12.379 382 HB2 GLU 906 HB2 GLU 906 -13.853 -5.911 12.698 383 HB3 GLU 906 HB1 GLU 906 -14.861 -4.478 12.563 384 HG2 GLU 906 HG2 GLU 906 -15.346 -5.056 10.223 385 HG3 GLU 906 HG1 GLU 906 -14.349 -6.495 10.387 386 H MET 907 H MET 907 -12.434 -4.196 9.085 387 HA MET 907 HA MET 907 -11.279 -6.826 8.808 388 HB2 MET 907 HB2 MET 907 -12.662 -6.009 7.020 389 HB3 MET 907 HB1 MET 907 -11.695 -4.548 6.871 390 HG2 MET 907 HG2 MET 907 -9.783 -5.995 6.169 391 HG3 MET 907 HG1 MET 907 -10.887 -7.364 6.161 392 HE1 MET 907 HE1 MET 907 -9.130 -6.564 3.703 393 HE2 MET 907 HE2 MET 907 -10.257 -6.628 2.351 394 HE3 MET 907 HE3 MET 907 -10.290 -7.885 3.587 395 H GLN 908 H GLN 908 -9.166 -7.249 8.897 396 HA GLN 908 HA GLN 908 -7.320 -5.026 9.079 397 HB2 GLN 908 HB2 GLN 908 -6.760 -7.990 9.195 398 HB3 GLN 908 HB1 GLN 908 -5.636 -6.711 9.585 399 HG2 GLN 908 HG2 GLN 908 -8.113 -7.438 11.135 400 HG3 GLN 908 HG1 GLN 908 -6.437 -7.679 11.627 401 HE21 GLN 908 HE21 GLN 908 -5.208 -5.875 12.251 402 HE22 GLN 908 HE22 GLN 908 -5.975 -4.397 12.701 403 H TRP 909 H TRP 909 -5.925 -4.587 7.496 404 HA TRP 909 HA TRP 909 -6.219 -6.139 5.028 405 HD1 TRP 909 HD TRP 909 -8.111 -5.140 2.562 406 HE1 TRP 909 HE1 TRP 909 -7.112 -4.669 0.257 407 HE3 TRP 909 HE3 TRP 909 -4.015 -2.443 3.991 408 HZ2 TRP 909 HZ2 TRP 909 -4.875 -3.305 -0.815 409 HZ3 TRP 909 HZ3 TRP 909 -2.498 -1.602 2.256 410 HH2 TRP 909 HH TRP 909 -2.910 -2.031 -0.088 411 HB2 TRP 909 HB2 TRP 909 -7.676 -4.112 4.958 412 HB3 TRP 909 HB1 TRP 909 -6.243 -3.113 5.180 413 H PHE 910 H PHE 910 -4.394 -6.332 3.840 414 HA PHE 910 HA PHE 910 -1.995 -4.997 4.801 415 HD1 PHE 910 HD1 PHE 910 -0.589 -6.168 6.867 416 HD2 PHE 910 HD2 PHE 910 -3.693 -8.827 5.694 417 HE1 PHE 910 HE1 PHE 910 -1.073 -6.646 9.239 418 HE2 PHE 910 HE2 PHE 910 -4.185 -9.312 8.054 419 HZ PHE 910 HZ PHE 910 -2.881 -8.211 9.828 420 HB2 PHE 910 HB2 PHE 910 -2.244 -7.940 4.081 421 HB3 PHE 910 HB1 PHE 910 -0.761 -7.113 4.548 422 H CYS 911 H CYS 911 -0.525 -4.603 3.144 423 HA CYS 911 HA CYS 911 -1.568 -4.030 0.618 424 HB2 CYS 911 HB2 CYS 911 0.826 -3.650 0.036 425 HB3 CYS 911 HB1 CYS 911 0.320 -2.818 1.501 426 HA PRO 912 HA PRO 912 -1.194 -7.776 -1.770 427 HB2 PRO 912 HB2 PRO 912 0.325 -6.865 -3.931 428 HB3 PRO 912 HB1 PRO 912 -1.434 -6.787 -3.813 429 HG2 PRO 912 HG2 PRO 912 0.610 -4.713 -3.225 430 HG3 PRO 912 HG1 PRO 912 -0.980 -4.506 -3.996 431 HD2 PRO 912 HD2 PRO 912 -0.594 -3.786 -1.475 432 HD3 PRO 912 HD1 PRO 912 -2.094 -4.604 -1.945 433 H LYS 913 H LYS 913 1.585 -6.066 -0.703 434 HA LYS 913 HA LYS 913 3.403 -8.152 -1.483 435 HB2 LYS 913 HB2 LYS 913 3.893 -5.756 0.292 436 HB3 LYS 913 HB1 LYS 913 5.129 -6.862 -0.290 437 HG2 LYS 913 HG2 LYS 913 3.950 -6.059 -2.623 438 HG3 LYS 913 HG1 LYS 913 3.839 -4.591 -1.678 439 HD2 LYS 913 HD2 LYS 913 6.374 -6.168 -2.180 440 HD3 LYS 913 HD1 LYS 913 5.916 -4.663 -2.967 441 HE2 LYS 913 HE2 LYS 913 6.347 -4.963 0.006 442 HE3 LYS 913 HE1 LYS 913 7.583 -4.422 -1.124 443 HZ1 LYS 913 HZ1 LYS 913 6.149 -2.536 -1.690 444 HZ2 LYS 913 HZ2 LYS 913 6.526 -2.567 -0.060 445 HZ3 LYS 913 HZ3 LYS 913 5.006 -3.011 -0.548 446 H CYS 914 H CYS 914 2.110 -6.903 1.625 447 HA CYS 914 HA CYS 914 3.183 -9.126 3.026 448 HB2 CYS 914 HB2 CYS 914 1.158 -7.048 3.843 449 HB3 CYS 914 HB1 CYS 914 1.691 -8.335 4.924 450 H ALA 915 H ALA 915 0.145 -8.503 1.464 451 HA ALA 915 HA ALA 915 -1.284 -10.713 2.475 452 HB1 ALA 915 HB1 ALA 915 -1.543 -9.365 -0.214 453 HB2 ALA 915 HB2 ALA 915 -2.349 -8.851 1.270 454 HB3 ALA 915 HB3 ALA 915 -2.748 -10.411 0.538 455 H ASN 916 H ASN 916 1.173 -10.384 0.107 456 HA ASN 916 HA ASN 916 0.845 -12.931 -1.159 457 HB2 ASN 916 HB2 ASN 916 1.903 -11.135 -2.375 458 HB3 ASN 916 HB1 ASN 916 3.129 -10.956 -1.127 459 HD21 ASN 916 HD21 ASN 916 1.916 -12.982 -3.620 460 HD22 ASN 916 HD22 ASN 916 3.362 -13.870 -3.928 461 H LYS 917 H LYS 917 2.791 -11.634 1.398 462 HA LYS 917 HA LYS 917 4.459 -13.837 1.959 463 HB2 LYS 917 HB2 LYS 917 3.227 -11.908 3.936 464 HB3 LYS 917 HB1 LYS 917 4.617 -12.934 4.239 465 HG2 LYS 917 HG2 LYS 917 5.955 -11.682 2.709 466 HG3 LYS 917 HG1 LYS 917 4.542 -10.772 2.154 467 HD2 LYS 917 HD2 LYS 917 4.276 -9.901 4.486 468 HD3 LYS 917 HD1 LYS 917 5.756 -10.735 4.907 469 HE2 LYS 917 HE2 LYS 917 7.065 -9.380 3.475 470 HE3 LYS 917 HE1 LYS 917 5.628 -8.694 2.710 471 HZ1 LYS 917 HZ1 LYS 917 6.696 -7.212 4.370 472 HZ2 LYS 917 HZ2 LYS 917 6.256 -8.299 5.595 473 HZ3 LYS 917 HZ3 LYS 917 5.088 -7.541 4.665 474 H ILE 918 H ILE 918 1.278 -12.930 3.111 475 HA ILE 918 HA ILE 918 0.814 -15.147 4.804 476 HB ILE 918 HB ILE 918 -1.180 -13.303 3.456 477 HG12 ILE 918 HG12 ILE 918 0.008 -13.152 6.236 478 HG13 ILE 918 HG11 ILE 918 0.510 -12.150 4.884 479 HG21 ILE 918 HG21 ILE 918 -2.241 -15.347 4.256 480 HG22 ILE 918 HG22 ILE 918 -2.713 -13.973 5.258 481 HG23 ILE 918 HG23 ILE 918 -1.510 -15.124 5.845 482 HD11 ILE 918 HD11 ILE 918 -2.222 -12.181 6.147 483 HD12 ILE 918 HD12 ILE 918 -1.733 -11.177 4.783 484 HD13 ILE 918 HD13 ILE 918 -0.986 -10.943 6.364 485 H LYS 919 H LYS 919 -0.431 -14.390 1.506 486 HA LYS 919 HA LYS 919 -1.242 -17.166 1.256 487 HB2 LYS 919 HB2 LYS 919 -1.903 -14.800 -0.491 488 HB3 LYS 919 HB1 LYS 919 -2.598 -16.404 -0.597 489 HG2 LYS 919 HG2 LYS 919 -3.550 -16.122 1.655 490 HG3 LYS 919 HG1 LYS 919 -2.890 -14.489 1.681 491 HD2 LYS 919 HD2 LYS 919 -5.006 -15.597 -0.182 492 HD3 LYS 919 HD1 LYS 919 -5.253 -14.407 1.091 493 HE2 LYS 919 HE2 LYS 919 -3.657 -14.028 -1.452 494 HE3 LYS 919 HE1 LYS 919 -5.221 -13.324 -1.077 495 HZ1 LYS 919 HZ1 LYS 919 -4.157 -12.100 0.753 496 HZ2 LYS 919 HZ2 LYS 919 -3.516 -11.738 -0.767 497 HZ3 LYS 919 HZ3 LYS 919 -2.648 -12.724 0.279 498 H LYS 920 H LYS 920 0.701 -17.943 0.962 499 HA LYS 920 HA LYS 920 2.388 -17.022 -1.242 500 HB2 LYS 920 HB2 LYS 920 3.480 -17.221 0.865 501 HB3 LYS 920 HB1 LYS 920 2.863 -18.849 1.084 502 HG2 LYS 920 HG2 LYS 920 4.306 -19.683 -0.663 503 HG3 LYS 920 HG1 LYS 920 4.869 -18.056 -1.035 504 HD2 LYS 920 HD2 LYS 920 6.495 -19.271 0.343 505 HD3 LYS 920 HD1 LYS 920 5.847 -17.872 1.198 506 HE2 LYS 920 HE2 LYS 920 4.266 -19.384 2.385 507 HE3 LYS 920 HE1 LYS 920 5.014 -20.758 1.569 508 HZ1 LYS 920 HZ1 LYS 920 7.091 -20.226 2.688 509 HZ2 LYS 920 HZ2 LYS 920 5.866 -20.406 3.825 510 HZ3 LYS 920 HZ3 LYS 920 6.390 -18.866 3.370 511 H ASP 921 H ASP 921 0.739 -19.903 -0.110 512 HA ASP 921 HA ASP 921 0.223 -21.905 -0.963 513 HB2 ASP 921 HB2 ASP 921 0.832 -20.651 -3.660 514 HB3 ASP 921 HB1 ASP 921 0.259 -22.298 -3.464 515 H LYS 922 H LYS 922 2.702 -21.162 -3.340 516 HA LYS 922 HA LYS 922 4.824 -22.591 -2.218 517 HB2 LYS 922 HB2 LYS 922 4.774 -24.477 -3.807 518 HB3 LYS 922 HB1 LYS 922 3.431 -24.561 -2.673 519 HG2 LYS 922 HG2 LYS 922 1.981 -23.563 -4.452 520 HG3 LYS 922 HG1 LYS 922 3.345 -23.706 -5.565 521 HD2 LYS 922 HD2 LYS 922 3.376 -26.132 -5.201 522 HD3 LYS 922 HD1 LYS 922 2.022 -25.978 -4.086 523 HE2 LYS 922 HE2 LYS 922 1.201 -26.693 -6.245 524 HE3 LYS 922 HE1 LYS 922 0.652 -25.054 -5.915 525 HZ1 LYS 922 HZ1 LYS 922 2.422 -24.216 -7.440 526 HZ2 LYS 922 HZ2 LYS 922 1.405 -25.292 -8.183 527 HZ3 LYS 922 HZ3 LYS 922 2.917 -25.810 -7.688 528 H LYS 923 H LYS 923 6.504 -22.834 -4.109 529 HA LYS 923 HA LYS 923 6.187 -20.490 -5.777 530 HB2 LYS 923 HB2 LYS 923 8.515 -20.768 -6.404 531 HB3 LYS 923 HB1 LYS 923 8.376 -20.887 -4.660 532 HG2 LYS 923 HG2 LYS 923 8.605 -23.316 -4.797 533 HG3 LYS 923 HG1 LYS 923 8.672 -23.215 -6.555 534 HD2 LYS 923 HD2 LYS 923 10.711 -21.796 -6.321 535 HD3 LYS 923 HD1 LYS 923 10.670 -22.105 -4.583 536 HE2 LYS 923 HE2 LYS 923 12.227 -23.627 -5.633 537 HE3 LYS 923 HE1 LYS 923 10.829 -24.527 -5.055 538 HZ1 LYS 923 HZ1 LYS 923 11.282 -23.671 -7.869 539 HZ2 LYS 923 HZ2 LYS 923 9.954 -24.559 -7.324 540 HZ3 LYS 923 HZ3 LYS 923 11.486 -25.230 -7.272 541 H HIS 924 H HIS 924 5.465 -20.554 -7.774 542 HA HIS 924 HA HIS 924 4.652 -21.273 -9.755 543 HD1 HIS 924 HD1 HIS 924 6.473 -25.015 -11.358 544 HD2 HIS 924 HD2 HIS 924 5.618 -21.155 -12.574 545 HE1 HIS 924 HE1 HIS 924 6.030 -25.177 -13.811 546 HE2 HIS 924 HE2 HIS 924 5.969 -22.784 -14.524 547 HB2 HIS 924 HB2 HIS 924 7.084 -21.699 -10.111 548 HB3 HIS 924 HB1 HIS 924 6.859 -23.347 -9.542 Start of MODEL 4 1 H1 GLY 850 HT1 GLY 850 20.010 5.300 4.185 2 H2 GLY 850 HT2 GLY 850 20.228 6.607 5.246 3 H3 GLY 850 HT3 GLY 850 21.477 6.102 4.246 4 HA2 GLY 850 HA1 GLY 850 18.943 7.245 3.268 5 HA3 GLY 850 HA2 GLY 850 20.490 8.091 3.373 6 H SER 851 H SER 851 21.753 8.023 1.681 7 HA SER 851 HA SER 851 22.440 7.717 -0.400 8 HG SER 851 HG SER 851 22.277 4.065 0.213 9 HB2 SER 851 HB2 SER 851 23.512 5.488 -0.762 10 HB3 SER 851 HB1 SER 851 23.913 6.254 0.768 11 H HIS 852 H HIS 852 20.593 8.267 -1.609 12 HA HIS 852 HA HIS 852 20.126 6.383 -3.596 13 HD2 HIS 852 HD2 HIS 852 17.995 6.911 0.329 14 HE1 HIS 852 HE1 HIS 852 14.684 9.012 -1.257 15 HE2 HIS 852 HE2 HIS 852 15.854 8.297 0.851 16 HB2 HIS 852 HB2 HIS 852 17.655 6.184 -3.489 17 HB3 HIS 852 HB1 HIS 852 18.408 5.455 -2.086 18 H MET 853 H MET 853 18.446 7.352 -5.196 19 HA MET 853 HA MET 853 19.305 10.134 -5.442 20 HB2 MET 853 HB2 MET 853 18.524 8.100 -7.526 21 HB3 MET 853 HB1 MET 853 18.791 9.795 -7.891 22 HG2 MET 853 HG2 MET 853 21.088 9.612 -7.078 23 HG3 MET 853 HG1 MET 853 20.820 7.914 -6.709 24 HE1 MET 853 HE1 MET 853 23.222 9.050 -8.521 25 HE2 MET 853 HE2 MET 853 23.255 7.829 -9.793 26 HE3 MET 853 HE3 MET 853 23.009 7.350 -8.114 27 H ALA 854 H ALA 854 17.125 9.544 -3.804 28 HA ALA 854 HA ALA 854 15.169 10.469 -3.221 29 HB1 ALA 854 HB1 ALA 854 15.230 11.979 -5.840 30 HB2 ALA 854 HB2 ALA 854 16.011 12.510 -4.354 31 HB3 ALA 854 HB3 ALA 854 14.254 12.372 -4.421 32 H MET 855 H MET 855 15.425 8.145 -5.175 33 HA MET 855 HA MET 855 12.759 8.206 -6.330 34 HB2 MET 855 HB2 MET 855 14.906 6.099 -6.626 35 HB3 MET 855 HB1 MET 855 13.359 6.100 -7.458 36 HG2 MET 855 HG2 MET 855 15.525 8.166 -7.775 37 HG3 MET 855 HG1 MET 855 15.158 6.865 -8.904 38 HE1 MET 855 HE1 MET 855 14.007 10.107 -10.785 39 HE2 MET 855 HE2 MET 855 15.040 8.679 -10.845 40 HE3 MET 855 HE3 MET 855 15.372 9.958 -9.679 41 H ALA 856 H ALA 856 11.746 8.178 -4.276 42 HA ALA 856 HA ALA 856 11.560 5.445 -3.235 43 HB1 ALA 856 HB1 ALA 856 10.939 6.319 -1.093 44 HB2 ALA 856 HB2 ALA 856 10.988 7.983 -1.696 45 HB3 ALA 856 HB3 ALA 856 12.480 7.033 -1.572 46 H TYR 857 H TYR 857 9.211 5.534 -1.875 47 HA TYR 857 HA TYR 857 7.420 5.844 -4.144 48 HD1 TYR 857 HD2 TYR 857 6.893 3.377 -5.206 49 HD2 TYR 857 HD1 TYR 857 8.904 2.898 -1.497 50 HE1 TYR 857 HE2 TYR 857 8.320 1.662 -6.212 51 HE2 TYR 857 HE1 TYR 857 10.341 1.212 -2.471 52 HH TYR 857 HH TYR 857 10.656 0.757 -5.754 53 HB2 TYR 857 HB2 TYR 857 6.992 4.260 -1.601 54 HB3 TYR 857 HB1 TYR 857 5.945 4.237 -3.022 55 H VAL 858 H VAL 858 8.254 7.428 -1.507 56 HA VAL 858 HA VAL 858 5.674 8.826 -1.386 57 HB VAL 858 HB VAL 858 7.948 8.971 0.628 58 HG11 VAL 858 HG11 VAL 858 6.359 10.219 2.014 59 HG12 VAL 858 HG12 VAL 858 5.165 10.138 0.721 60 HG13 VAL 858 HG13 VAL 858 6.661 11.047 0.483 61 HG21 VAL 858 HG21 VAL 858 6.484 7.761 2.150 62 HG22 VAL 858 HG22 VAL 858 6.785 6.798 0.699 63 HG23 VAL 858 HG23 VAL 858 5.254 7.650 0.900 64 H ILE 859 H ILE 859 5.752 10.375 -2.811 65 HA ILE 859 HA ILE 859 8.268 11.851 -3.159 66 HB ILE 859 HB ILE 859 5.903 11.880 -5.062 67 HG12 ILE 859 HG12 ILE 859 8.443 10.226 -5.293 68 HG13 ILE 859 HG11 ILE 859 6.853 9.580 -4.911 69 HG21 ILE 859 HG21 ILE 859 7.346 13.809 -5.228 70 HG22 ILE 859 HG22 ILE 859 7.527 12.791 -6.655 71 HG23 ILE 859 HG23 ILE 859 8.759 12.765 -5.390 72 HD11 ILE 859 HD11 ILE 859 7.447 9.218 -7.243 73 HD12 ILE 859 HD12 ILE 859 7.628 10.953 -7.477 74 HD13 ILE 859 HD13 ILE 859 6.042 10.272 -7.105 75 H ARG 860 H ARG 860 8.263 13.880 -2.516 76 HA ARG 860 HA ARG 860 5.774 15.113 -1.697 77 HE ARG 860 HE ARG 860 7.047 14.761 2.553 78 HB2 ARG 860 HB2 ARG 860 8.633 16.088 -1.552 79 HB3 ARG 860 HB1 ARG 860 7.254 17.111 -1.163 80 HG2 ARG 860 HG2 ARG 860 7.902 14.519 0.230 81 HG3 ARG 860 HG1 ARG 860 8.347 16.122 0.820 82 HD2 ARG 860 HD2 ARG 860 5.960 16.748 0.844 83 HD3 ARG 860 HD1 ARG 860 5.538 15.120 0.335 84 HH11 ARG 860 HH11 ARG 860 4.078 16.614 1.893 85 HH12 ARG 860 HH12 ARG 860 3.470 16.442 3.457 86 HH21 ARG 860 HH21 ARG 860 6.176 14.513 4.713 87 HH22 ARG 860 HH22 ARG 860 4.700 15.224 5.118 88 H ASP 861 H ASP 861 4.589 16.043 -3.029 89 HA ASP 861 HA ASP 861 5.288 16.705 -5.699 90 HB2 ASP 861 HB2 ASP 861 3.022 16.039 -5.088 91 HB3 ASP 861 HB1 ASP 861 2.926 17.399 -3.968 92 H GLU 862 H GLU 862 4.533 19.001 -6.411 93 HA GLU 862 HA GLU 862 6.508 20.877 -5.605 94 HB2 GLU 862 HB2 GLU 862 4.038 21.252 -7.290 95 HB3 GLU 862 HB1 GLU 862 5.435 22.320 -7.251 96 HG2 GLU 862 HG2 GLU 862 6.825 20.724 -8.259 97 HG3 GLU 862 HG1 GLU 862 5.654 19.434 -8.000 98 H TRP 863 H TRP 863 3.106 20.399 -4.925 99 HA TRP 863 HA TRP 863 2.905 22.796 -3.266 100 HD1 TRP 863 HD TRP 863 -0.504 20.652 -1.618 101 HE1 TRP 863 HE1 TRP 863 -1.896 22.485 -0.488 102 HE3 TRP 863 HE3 TRP 863 1.045 24.667 -4.368 103 HZ2 TRP 863 HZ2 TRP 863 -2.312 25.263 -0.732 104 HZ3 TRP 863 HZ3 TRP 863 0.091 26.874 -3.857 105 HH2 TRP 863 HH TRP 863 -1.551 27.163 -2.076 106 HB2 TRP 863 HB2 TRP 863 1.035 22.000 -4.728 107 HB3 TRP 863 HB1 TRP 863 0.955 20.541 -3.752 108 H GLY 864 H GLY 864 4.269 19.848 -2.945 109 HA2 GLY 864 HA2 GLY 864 5.260 18.943 -1.084 110 HA3 GLY 864 HA1 GLY 864 4.326 20.002 -0.051 111 H ASN 865 H ASN 865 2.434 18.425 -2.330 112 HA ASN 865 HA ASN 865 0.932 16.992 -0.426 113 HB2 ASN 865 HB2 ASN 865 1.025 16.418 -3.411 114 HB3 ASN 865 HB1 ASN 865 -0.208 15.868 -2.297 115 HD21 ASN 865 HD21 ASN 865 0.802 18.396 -4.418 116 HD22 ASN 865 HD22 ASN 865 -0.500 19.431 -4.049 117 H GLN 866 H GLN 866 0.797 14.776 -0.005 118 HA GLN 866 HA GLN 866 3.287 13.406 -0.416 119 HB2 GLN 866 HB2 GLN 866 0.853 12.681 1.202 120 HB3 GLN 866 HB1 GLN 866 2.265 11.642 1.049 121 HG2 GLN 866 HG2 GLN 866 3.661 13.308 2.027 122 HG3 GLN 866 HG1 GLN 866 2.318 14.441 2.080 123 HE21 GLN 866 HE21 GLN 866 3.827 11.655 3.545 124 HE22 GLN 866 HE22 GLN 866 2.818 11.600 4.924 125 H ILE 867 H ILE 867 3.479 12.727 -2.290 126 HA ILE 867 HA ILE 867 1.307 11.373 -3.661 127 HB ILE 867 HB ILE 867 4.157 11.771 -4.489 128 HG12 ILE 867 HG12 ILE 867 3.049 13.939 -4.338 129 HG13 ILE 867 HG11 ILE 867 3.346 13.467 -6.011 130 HG21 ILE 867 HG21 ILE 867 3.107 9.863 -5.561 131 HG22 ILE 867 HG22 ILE 867 3.372 11.140 -6.754 132 HG23 ILE 867 HG23 ILE 867 1.760 10.866 -6.077 133 HD11 ILE 867 HD11 ILE 867 1.178 14.524 -5.757 134 HD12 ILE 867 HD12 ILE 867 0.714 13.273 -4.591 135 HD13 ILE 867 HD13 ILE 867 1.046 12.837 -6.275 136 H TRP 868 H TRP 868 1.027 9.427 -3.194 137 HA TRP 868 HA TRP 868 3.275 7.796 -2.309 138 HD1 TRP 868 HD TRP 868 3.569 6.932 0.080 139 HE1 TRP 868 HE1 TRP 868 3.343 8.062 2.379 140 HE3 TRP 868 HE3 TRP 868 -1.070 8.943 -0.501 141 HZ2 TRP 868 HZ2 TRP 868 1.415 9.616 3.772 142 HZ3 TRP 868 HZ3 TRP 868 -2.049 10.229 1.372 143 HH2 TRP 868 HH TRP 868 -0.825 10.553 3.452 144 HB2 TRP 868 HB2 TRP 868 0.353 7.589 -1.939 145 HB3 TRP 868 HB1 TRP 868 1.377 6.174 -1.655 146 H ILE 869 H ILE 869 4.074 6.398 -3.585 147 HA ILE 869 HA ILE 869 2.646 5.674 -5.982 148 HB ILE 869 HB ILE 869 5.469 5.049 -5.065 149 HG12 ILE 869 HG12 ILE 869 4.345 6.759 -7.286 150 HG13 ILE 869 HG11 ILE 869 5.196 7.325 -5.853 151 HG21 ILE 869 HG21 ILE 869 4.635 3.107 -6.282 152 HG22 ILE 869 HG22 ILE 869 5.837 3.969 -7.246 153 HG23 ILE 869 HG23 ILE 869 4.125 4.146 -7.614 154 HD11 ILE 869 HD11 ILE 869 6.332 5.727 -8.128 155 HD12 ILE 869 HD12 ILE 869 7.255 6.304 -6.725 156 HD13 ILE 869 HD13 ILE 869 6.529 7.450 -7.866 157 H CYS 870 H CYS 870 1.524 3.989 -6.172 158 HA CYS 870 HA CYS 870 1.051 2.154 -4.056 159 HB2 CYS 870 HB2 CYS 870 -0.734 3.113 -5.418 160 HB3 CYS 870 HB1 CYS 870 0.041 2.561 -6.881 161 HA PRO 871 HA PRO 871 4.437 -0.328 -5.954 162 HB2 PRO 871 HB2 PRO 871 3.969 -2.031 -3.588 163 HB3 PRO 871 HB1 PRO 871 5.457 -1.246 -4.123 164 HG2 PRO 871 HG2 PRO 871 4.117 -0.368 -1.978 165 HG3 PRO 871 HG1 PRO 871 4.936 0.751 -3.079 166 HD2 PRO 871 HD2 PRO 871 1.998 0.086 -2.934 167 HD3 PRO 871 HD1 PRO 871 2.812 1.650 -3.135 168 H GLY 872 H GLY 872 1.278 -0.813 -5.948 169 HA2 GLY 872 HA2 GLY 872 1.307 -3.646 -6.613 170 HA3 GLY 872 HA1 GLY 872 -0.111 -2.597 -6.565 171 H CYS 873 H CYS 873 0.849 -0.480 -8.135 172 HA CYS 873 HA CYS 873 0.937 -1.735 -10.788 173 HB2 CYS 873 HB2 CYS 873 -0.040 0.470 -11.462 174 HB3 CYS 873 HB1 CYS 873 -1.058 -0.484 -10.380 175 H ASN 874 H ASN 874 2.414 0.410 -8.548 176 HA ASN 874 HA ASN 874 4.285 1.490 -8.361 177 HB2 ASN 874 HB2 ASN 874 5.011 0.387 -11.094 178 HB3 ASN 874 HB1 ASN 874 6.052 1.511 -10.231 179 HD21 ASN 874 HD21 ASN 874 7.737 0.047 -9.979 180 HD22 ASN 874 HD22 ASN 874 7.620 -1.331 -8.958 181 H LYS 875 H LYS 875 1.776 2.428 -9.597 182 HA LYS 875 HA LYS 875 2.747 4.795 -10.971 183 HB2 LYS 875 HB2 LYS 875 -0.089 3.963 -10.335 184 HB3 LYS 875 HB1 LYS 875 0.425 5.359 -11.279 185 HG2 LYS 875 HG2 LYS 875 1.288 3.961 -13.001 186 HG3 LYS 875 HG1 LYS 875 1.008 2.515 -12.031 187 HD2 LYS 875 HD2 LYS 875 -1.413 2.963 -12.082 188 HD3 LYS 875 HD1 LYS 875 -1.135 4.391 -13.070 189 HE2 LYS 875 HE2 LYS 875 -0.124 2.937 -14.799 190 HE3 LYS 875 HE1 LYS 875 -0.529 1.533 -13.811 191 HZ1 LYS 875 HZ1 LYS 875 -2.883 2.156 -14.015 192 HZ2 LYS 875 HZ2 LYS 875 -2.185 1.886 -15.513 193 HZ3 LYS 875 HZ3 LYS 875 -2.449 3.459 -14.989 194 HA PRO 876 HA PRO 876 2.441 7.231 -7.217 195 HB2 PRO 876 HB2 PRO 876 2.538 9.657 -8.420 196 HB3 PRO 876 HB1 PRO 876 3.978 8.673 -8.173 197 HG2 PRO 876 HG2 PRO 876 2.344 9.051 -10.637 198 HG3 PRO 876 HG1 PRO 876 4.102 8.901 -10.464 199 HD2 PRO 876 HD2 PRO 876 2.500 6.848 -11.290 200 HD3 PRO 876 HD1 PRO 876 4.010 6.592 -10.435 201 H ASP 877 H ASP 877 0.897 8.306 -6.152 202 HA ASP 877 HA ASP 877 -1.750 8.174 -7.096 203 HB2 ASP 877 HB2 ASP 877 -1.346 7.873 -4.771 204 HB3 ASP 877 HB1 ASP 877 -0.556 9.438 -4.646 205 H ASP 878 H ASP 878 -3.126 9.592 -7.714 206 HA ASP 878 HA ASP 878 -2.289 12.134 -8.854 207 HB2 ASP 878 HB2 ASP 878 -3.740 10.856 -10.222 208 HB3 ASP 878 HB1 ASP 878 -4.796 10.461 -8.878 209 H GLY 879 H GLY 879 -4.050 10.824 -6.238 210 HA2 GLY 879 HA2 GLY 879 -4.444 12.277 -4.284 211 HA3 GLY 879 HA1 GLY 879 -5.164 13.416 -5.443 212 H SER 880 H SER 880 -5.232 9.942 -5.142 213 HA SER 880 HA SER 880 -8.139 10.020 -5.489 214 HG SER 880 HG SER 880 -5.107 8.411 -6.015 215 HB2 SER 880 HB2 SER 880 -7.751 7.765 -6.630 216 HB3 SER 880 HB1 SER 880 -7.141 9.172 -7.493 217 HA PRO 881 HA PRO 881 -8.576 7.639 -1.751 218 HB2 PRO 881 HB2 PRO 881 -10.053 5.463 -3.100 219 HB3 PRO 881 HB1 PRO 881 -10.572 6.544 -1.816 220 HG2 PRO 881 HG2 PRO 881 -11.502 6.803 -4.319 221 HG3 PRO 881 HG1 PRO 881 -11.243 8.195 -3.252 222 HD2 PRO 881 HD2 PRO 881 -9.583 7.209 -5.527 223 HD3 PRO 881 HD1 PRO 881 -9.949 8.875 -5.036 224 H MET 882 H MET 882 -7.076 6.484 -0.806 225 HA MET 882 HA MET 882 -5.926 4.213 -2.236 226 HB2 MET 882 HB2 MET 882 -4.428 6.158 -0.470 227 HB3 MET 882 HB1 MET 882 -3.746 4.757 -1.282 228 HG2 MET 882 HG2 MET 882 -4.295 5.827 -3.447 229 HG3 MET 882 HG1 MET 882 -4.821 7.256 -2.566 230 HE1 MET 882 HE1 MET 882 -1.894 5.217 -3.979 231 HE2 MET 882 HE2 MET 882 -1.760 4.744 -2.287 232 HE3 MET 882 HE3 MET 882 -0.508 5.741 -3.029 233 H ILE 883 H ILE 883 -4.945 2.702 -0.762 234 HA ILE 883 HA ILE 883 -6.093 2.758 1.910 235 HB ILE 883 HB ILE 883 -7.533 1.316 0.545 236 HG12 ILE 883 HG12 ILE 883 -5.767 -0.431 2.281 237 HG13 ILE 883 HG11 ILE 883 -6.979 0.675 2.909 238 HG21 ILE 883 HG21 ILE 883 -6.697 -0.715 -0.565 239 HG22 ILE 883 HG22 ILE 883 -5.052 -0.188 -0.255 240 HG23 ILE 883 HG23 ILE 883 -6.093 0.764 -1.297 241 HD11 ILE 883 HD11 ILE 883 -7.497 -1.681 1.124 242 HD12 ILE 883 HD12 ILE 883 -8.717 -0.577 1.751 243 HD13 ILE 883 HD13 ILE 883 -7.796 -1.598 2.859 244 H GLY 884 H GLY 884 -4.741 1.952 3.503 245 HA2 GLY 884 HA2 GLY 884 -1.991 1.449 2.565 246 HA3 GLY 884 HA1 GLY 884 -2.402 2.213 4.093 247 H CYS 885 H CYS 885 -0.702 -0.050 3.592 248 HA CYS 885 HA CYS 885 -2.075 -2.410 4.487 249 HB2 CYS 885 HB2 CYS 885 -0.076 -2.535 3.021 250 HB3 CYS 885 HB1 CYS 885 0.891 -1.806 4.290 251 H ASP 886 H ASP 886 -1.244 -3.551 6.388 252 HA ASP 886 HA ASP 886 -1.111 -1.744 8.717 253 HB2 ASP 886 HB2 ASP 886 -3.055 -3.293 8.674 254 HB3 ASP 886 HB1 ASP 886 -1.958 -4.659 8.590 255 H ASP 887 H ASP 887 0.568 -4.128 6.893 256 HA ASP 887 HA ASP 887 2.334 -4.861 9.079 257 HB2 ASP 887 HB2 ASP 887 1.684 -6.567 7.393 258 HB3 ASP 887 HB1 ASP 887 2.517 -5.628 6.159 259 H CYS 888 H CYS 888 2.427 -2.978 6.111 260 HA CYS 888 HA CYS 888 5.084 -2.147 6.952 261 HB2 CYS 888 HB2 CYS 888 5.419 -1.338 4.602 262 HB3 CYS 888 HB1 CYS 888 5.215 -3.073 4.768 263 H ASP 889 H ASP 889 3.176 -0.387 4.759 264 HA ASP 889 HA ASP 889 1.946 1.558 6.336 265 HB2 ASP 889 HB2 ASP 889 4.239 2.136 7.158 266 HB3 ASP 889 HB1 ASP 889 4.723 2.468 5.505 267 H ASP 890 H ASP 890 3.396 0.512 3.420 268 HA ASP 890 HA ASP 890 2.969 2.696 1.793 269 HB2 ASP 890 HB2 ASP 890 3.199 -0.212 1.142 270 HB3 ASP 890 HB1 ASP 890 2.832 0.962 -0.118 271 H TRP 891 H TRP 891 1.557 3.343 0.387 272 HA TRP 891 HA TRP 891 -1.204 2.596 0.945 273 HD1 TRP 891 HD TRP 891 1.192 5.334 2.401 274 HE1 TRP 891 HE1 TRP 891 0.181 6.278 4.567 275 HE3 TRP 891 HE3 TRP 891 -3.733 5.036 1.160 276 HZ2 TRP 891 HZ2 TRP 891 -2.406 6.825 5.611 277 HZ3 TRP 891 HZ3 TRP 891 -5.412 5.786 2.768 278 HH2 TRP 891 HH TRP 891 -4.763 6.659 4.956 279 HB2 TRP 891 HB2 TRP 891 0.037 5.138 -0.098 280 HB3 TRP 891 HB1 TRP 891 -1.693 4.828 -0.119 281 H TYR 892 H TYR 892 -2.382 1.798 -0.609 282 HA TYR 892 HA TYR 892 -1.284 1.685 -3.331 283 HD1 TYR 892 HD2 TYR 892 -0.668 0.016 -0.359 284 HD2 TYR 892 HD1 TYR 892 -0.901 -1.803 -4.181 285 HE1 TYR 892 HE2 TYR 892 1.408 -1.153 0.094 286 HE2 TYR 892 HE1 TYR 892 1.202 -2.997 -3.736 287 HH TYR 892 HH TYR 892 2.449 -3.211 -0.635 288 HB2 TYR 892 HB2 TYR 892 -2.924 -0.338 -1.789 289 HB3 TYR 892 HB1 TYR 892 -2.620 -0.440 -3.519 290 H HIS 893 H HIS 893 -2.849 1.671 -4.952 291 HA HIS 893 HA HIS 893 -5.017 3.548 -4.398 292 HD2 HIS 893 HD2 HIS 893 -3.924 5.864 -5.581 293 HE1 HIS 893 HE1 HIS 893 -0.753 4.939 -8.229 294 HE2 HIS 893 HE2 HIS 893 -1.561 6.504 -6.451 295 HB2 HIS 893 HB2 HIS 893 -4.341 2.207 -7.034 296 HB3 HIS 893 HB1 HIS 893 -5.472 3.526 -6.816 297 H TRP 894 H TRP 894 -7.184 3.123 -4.476 298 HA TRP 894 HA TRP 894 -8.140 0.643 -3.796 299 HD1 TRP 894 HD TRP 894 -7.805 2.047 -2.012 300 HE1 TRP 894 HE1 TRP 894 -8.954 2.795 0.181 301 HE3 TRP 894 HE3 TRP 894 -12.432 3.149 -3.853 302 HZ2 TRP 894 HZ2 TRP 894 -11.440 3.705 0.993 303 HZ3 TRP 894 HZ3 TRP 894 -14.154 3.966 -2.298 304 HH2 TRP 894 HH TRP 894 -13.659 4.242 0.086 305 HB2 TRP 894 HB2 TRP 894 -9.494 3.069 -4.883 306 HB3 TRP 894 HB1 TRP 894 -10.410 1.585 -4.663 307 HA PRO 895 HA PRO 895 -9.610 -0.239 -8.394 308 HB2 PRO 895 HB2 PRO 895 -7.966 0.830 -10.315 309 HB3 PRO 895 HB1 PRO 895 -9.488 1.563 -9.804 310 HG2 PRO 895 HG2 PRO 895 -6.705 2.167 -8.871 311 HG3 PRO 895 HG1 PRO 895 -7.967 3.304 -9.377 312 HD2 PRO 895 HD2 PRO 895 -7.550 2.904 -6.804 313 HD3 PRO 895 HD1 PRO 895 -9.220 2.953 -7.417 314 H CYS 896 H CYS 896 -6.327 0.007 -7.233 315 HA CYS 896 HA CYS 896 -5.274 -1.894 -9.109 316 HB2 CYS 896 HB2 CYS 896 -4.109 -0.686 -6.618 317 HB3 CYS 896 HB1 CYS 896 -3.209 -1.593 -7.828 318 H VAL 897 H VAL 897 -6.710 -1.959 -5.999 319 HA VAL 897 HA VAL 897 -5.916 -4.755 -5.707 320 HB VAL 897 HB VAL 897 -6.394 -4.399 -3.208 321 HG11 VAL 897 HG11 VAL 897 -4.167 -3.384 -2.840 322 HG12 VAL 897 HG12 VAL 897 -4.146 -2.869 -4.527 323 HG13 VAL 897 HG13 VAL 897 -4.130 -4.585 -4.132 324 HG21 VAL 897 HG21 VAL 897 -6.151 -1.526 -4.075 325 HG22 VAL 897 HG22 VAL 897 -6.228 -2.090 -2.405 326 HG23 VAL 897 HG23 VAL 897 -7.627 -2.273 -3.471 327 H GLY 898 H GLY 898 -8.301 -3.114 -6.838 328 HA2 GLY 898 HA2 GLY 898 -10.446 -3.763 -7.404 329 HA3 GLY 898 HA1 GLY 898 -10.155 -5.232 -6.479 330 H ILE 899 H ILE 899 -10.193 -1.823 -5.507 331 HA ILE 899 HA ILE 899 -12.328 -2.528 -3.639 332 HB ILE 899 HB ILE 899 -10.004 -0.640 -3.211 333 HG12 ILE 899 HG12 ILE 899 -10.839 -3.193 -1.834 334 HG13 ILE 899 HG11 ILE 899 -9.466 -3.003 -2.908 335 HG21 ILE 899 HG21 ILE 899 -12.020 0.354 -2.264 336 HG22 ILE 899 HG22 ILE 899 -10.953 -0.215 -0.980 337 HG23 ILE 899 HG23 ILE 899 -12.378 -1.151 -1.420 338 HD11 ILE 899 HD11 ILE 899 -8.780 -3.071 -0.604 339 HD12 ILE 899 HD12 ILE 899 -9.859 -1.717 -0.245 340 HD13 ILE 899 HD13 ILE 899 -8.462 -1.474 -1.300 341 H MET 900 H MET 900 -14.046 -1.314 -3.598 342 HA MET 900 HA MET 900 -14.083 1.178 -5.170 343 HB2 MET 900 HB2 MET 900 -16.305 0.558 -6.027 344 HB3 MET 900 HB1 MET 900 -15.058 -0.594 -6.491 345 HG2 MET 900 HG2 MET 900 -15.818 -2.050 -4.610 346 HG3 MET 900 HG1 MET 900 -17.165 -0.945 -4.370 347 HE1 MET 900 HE1 MET 900 -16.525 -3.570 -8.126 348 HE2 MET 900 HE2 MET 900 -15.473 -3.583 -6.711 349 HE3 MET 900 HE3 MET 900 -15.496 -2.183 -7.784 350 H ALA 901 H ALA 901 -14.515 -0.174 -2.213 351 HA ALA 901 HA ALA 901 -15.652 2.189 -1.068 352 HB1 ALA 901 HB1 ALA 901 -17.747 1.032 -1.692 353 HB2 ALA 901 HB2 ALA 901 -17.496 1.066 0.061 354 HB3 ALA 901 HB3 ALA 901 -17.178 -0.415 -0.837 355 H ALA 902 H ALA 902 -14.780 2.376 0.894 356 HA ALA 902 HA ALA 902 -12.561 1.084 1.744 357 HB1 ALA 902 HB1 ALA 902 -12.780 2.244 3.832 358 HB2 ALA 902 HB2 ALA 902 -14.501 2.499 3.552 359 HB3 ALA 902 HB3 ALA 902 -13.313 3.288 2.513 360 HA PRO 903 HA PRO 903 -14.423 -2.541 3.624 361 HB2 PRO 903 HB2 PRO 903 -13.338 -4.319 2.146 362 HB3 PRO 903 HB1 PRO 903 -14.414 -3.129 1.391 363 HG2 PRO 903 HG2 PRO 903 -11.401 -3.219 1.394 364 HG3 PRO 903 HG1 PRO 903 -12.493 -2.814 0.055 365 HD2 PRO 903 HD2 PRO 903 -11.295 -0.785 1.760 366 HD3 PRO 903 HD1 PRO 903 -12.644 -0.673 0.674 367 HA PRO 904 HA PRO 904 -10.715 -4.591 5.473 368 HB2 PRO 904 HB2 PRO 904 -12.328 -6.156 7.143 369 HB3 PRO 904 HB1 PRO 904 -11.603 -4.631 7.643 370 HG2 PRO 904 HG2 PRO 904 -14.378 -5.191 7.320 371 HG3 PRO 904 HG1 PRO 904 -13.637 -3.620 7.649 372 HD2 PRO 904 HD2 PRO 904 -14.599 -4.752 5.069 373 HD3 PRO 904 HD1 PRO 904 -14.473 -3.058 5.586 374 H GLU 905 H GLU 905 -10.367 -7.169 5.399 375 HA GLU 905 HA GLU 905 -12.105 -8.075 3.268 376 HB2 GLU 905 HB2 GLU 905 -10.717 -10.127 3.143 377 HB3 GLU 905 HB1 GLU 905 -9.789 -8.649 2.951 378 HG2 GLU 905 HG2 GLU 905 -8.854 -8.861 5.103 379 HG3 GLU 905 HG1 GLU 905 -9.987 -10.145 5.531 380 H GLU 906 H GLU 906 -11.691 -8.423 6.534 381 HA GLU 906 HA GLU 906 -13.860 -9.012 7.684 382 HB2 GLU 906 HB2 GLU 906 -14.116 -11.414 7.923 383 HB3 GLU 906 HB1 GLU 906 -14.205 -10.929 6.222 384 HG2 GLU 906 HG2 GLU 906 -12.065 -11.821 5.751 385 HG3 GLU 906 HG1 GLU 906 -11.728 -12.087 7.464 386 H MET 907 H MET 907 -10.736 -9.578 6.970 387 HA MET 907 HA MET 907 -9.785 -9.645 9.738 388 HB2 MET 907 HB2 MET 907 -9.428 -11.798 8.427 389 HB3 MET 907 HB1 MET 907 -8.509 -10.865 7.263 390 HG2 MET 907 HG2 MET 907 -6.876 -10.310 9.032 391 HG3 MET 907 HG1 MET 907 -7.802 -11.300 10.156 392 HE1 MET 907 HE1 MET 907 -5.498 -12.940 6.500 393 HE2 MET 907 HE2 MET 907 -5.509 -11.243 6.984 394 HE3 MET 907 HE3 MET 907 -6.970 -11.985 6.337 395 H GLN 908 H GLN 908 -7.557 -8.639 9.748 396 HA GLN 908 HA GLN 908 -7.276 -6.090 8.886 397 HB2 GLN 908 HB2 GLN 908 -5.120 -8.166 9.148 398 HB3 GLN 908 HB1 GLN 908 -4.853 -6.434 9.105 399 HG2 GLN 908 HG2 GLN 908 -5.960 -6.164 11.209 400 HG3 GLN 908 HG1 GLN 908 -6.456 -7.861 11.208 401 HE21 GLN 908 HE21 GLN 908 -3.758 -5.689 11.521 402 HE22 GLN 908 HE22 GLN 908 -2.668 -6.836 12.187 403 H TRP 909 H TRP 909 -6.042 -5.157 7.238 404 HA TRP 909 HA TRP 909 -6.168 -6.673 4.732 405 HD1 TRP 909 HD TRP 909 -8.231 -5.634 2.433 406 HE1 TRP 909 HE1 TRP 909 -7.396 -4.995 0.106 407 HE3 TRP 909 HE3 TRP 909 -4.158 -2.853 3.781 408 HZ2 TRP 909 HZ2 TRP 909 -5.262 -3.484 -1.028 409 HZ3 TRP 909 HZ3 TRP 909 -2.770 -1.855 2.010 410 HH2 TRP 909 HH TRP 909 -3.308 -2.173 -0.336 411 HB2 TRP 909 HB2 TRP 909 -7.722 -4.731 4.858 412 HB3 TRP 909 HB1 TRP 909 -6.332 -3.671 5.069 413 H PHE 910 H PHE 910 -4.340 -7.098 3.833 414 HA PHE 910 HA PHE 910 -2.055 -5.364 4.362 415 HD1 PHE 910 HD2 PHE 910 -0.395 -6.219 6.368 416 HD2 PHE 910 HD1 PHE 910 -3.279 -9.242 5.609 417 HE1 PHE 910 HE2 PHE 910 -0.712 -6.524 8.791 418 HE2 PHE 910 HE1 PHE 910 -3.611 -9.543 8.020 419 HZ PHE 910 HZ PHE 910 -2.342 -8.171 9.609 420 HB2 PHE 910 HB2 PHE 910 -2.022 -8.355 3.840 421 HB3 PHE 910 HB1 PHE 910 -0.614 -7.341 4.149 422 H CYS 911 H CYS 911 -0.775 -4.926 2.607 423 HA CYS 911 HA CYS 911 -2.149 -4.622 0.168 424 HB2 CYS 911 HB2 CYS 911 0.000 -3.717 -0.581 425 HB3 CYS 911 HB1 CYS 911 -0.483 -3.074 0.976 426 HA PRO 912 HA PRO 912 -1.225 -8.258 -2.228 427 HB2 PRO 912 HB2 PRO 912 0.172 -7.112 -4.381 428 HB3 PRO 912 HB1 PRO 912 -1.574 -7.349 -4.292 429 HG2 PRO 912 HG2 PRO 912 0.034 -4.902 -3.720 430 HG3 PRO 912 HG1 PRO 912 -1.564 -5.037 -4.466 431 HD2 PRO 912 HD2 PRO 912 -1.317 -4.217 -1.974 432 HD3 PRO 912 HD1 PRO 912 -2.630 -5.314 -2.440 433 H LYS 913 H LYS 913 1.298 -6.024 -1.423 434 HA LYS 913 HA LYS 913 3.451 -7.839 -1.988 435 HB2 LYS 913 HB2 LYS 913 3.317 -5.122 -0.677 436 HB3 LYS 913 HB1 LYS 913 4.796 -6.065 -0.720 437 HG2 LYS 913 HG2 LYS 913 3.260 -5.307 -3.184 438 HG3 LYS 913 HG1 LYS 913 4.513 -4.270 -2.506 439 HD2 LYS 913 HD2 LYS 913 6.063 -6.264 -2.668 440 HD3 LYS 913 HD1 LYS 913 4.789 -7.089 -3.562 441 HE2 LYS 913 HE2 LYS 913 5.997 -4.464 -4.365 442 HE3 LYS 913 HE1 LYS 913 6.562 -6.017 -4.975 443 HZ1 LYS 913 HZ1 LYS 913 4.232 -6.331 -5.858 444 HZ2 LYS 913 HZ2 LYS 913 5.143 -5.142 -6.568 445 HZ3 LYS 913 HZ3 LYS 913 3.939 -4.688 -5.509 446 H CYS 914 H CYS 914 1.930 -6.552 1.020 447 HA CYS 914 HA CYS 914 3.504 -8.414 2.513 448 HB2 CYS 914 HB2 CYS 914 1.500 -6.377 3.415 449 HB3 CYS 914 HB1 CYS 914 2.341 -7.466 4.516 450 H ALA 915 H ALA 915 0.274 -8.444 1.319 451 HA ALA 915 HA ALA 915 -0.706 -10.438 3.075 452 HB1 ALA 915 HB1 ALA 915 -2.442 -10.816 1.415 453 HB2 ALA 915 HB2 ALA 915 -1.533 -9.871 0.229 454 HB3 ALA 915 HB3 ALA 915 -2.191 -9.088 1.673 455 H ASN 916 H ASN 916 1.388 -10.463 0.396 456 HA ASN 916 HA ASN 916 1.221 -13.253 -0.206 457 HB2 ASN 916 HB2 ASN 916 2.090 -11.464 -1.787 458 HB3 ASN 916 HB1 ASN 916 3.527 -11.371 -0.783 459 HD21 ASN 916 HD21 ASN 916 1.785 -14.328 -1.626 460 HD22 ASN 916 HD22 ASN 916 3.032 -15.020 -2.562 461 H LYS 917 H LYS 917 2.785 -11.334 2.215 462 HA LYS 917 HA LYS 917 4.658 -13.404 2.941 463 HB2 LYS 917 HB2 LYS 917 3.900 -10.873 4.407 464 HB3 LYS 917 HB1 LYS 917 5.270 -11.907 4.778 465 HG2 LYS 917 HG2 LYS 917 6.187 -11.387 2.524 466 HG3 LYS 917 HG1 LYS 917 4.873 -10.233 2.316 467 HD2 LYS 917 HD2 LYS 917 6.981 -10.175 4.465 468 HD3 LYS 917 HD1 LYS 917 6.915 -9.131 3.036 469 HE2 LYS 917 HE2 LYS 917 4.776 -8.195 3.883 470 HE3 LYS 917 HE1 LYS 917 4.925 -9.218 5.309 471 HZ1 LYS 917 HZ1 LYS 917 6.947 -8.020 5.877 472 HZ2 LYS 917 HZ2 LYS 917 5.624 -6.990 5.736 473 HZ3 LYS 917 HZ3 LYS 917 6.771 -7.044 4.506 474 H ILE 918 H ILE 918 1.529 -12.198 3.843 475 HA ILE 918 HA ILE 918 1.163 -13.658 6.254 476 HB ILE 918 HB ILE 918 -0.912 -12.696 4.257 477 HG12 ILE 918 HG12 ILE 918 0.506 -10.864 5.091 478 HG13 ILE 918 HG11 ILE 918 -1.154 -10.706 5.646 479 HG21 ILE 918 HG21 ILE 918 -2.509 -12.759 6.130 480 HG22 ILE 918 HG22 ILE 918 -1.259 -13.469 7.153 481 HG23 ILE 918 HG23 ILE 918 -1.855 -14.354 5.747 482 HD11 ILE 918 HD11 ILE 918 -0.484 -11.586 7.832 483 HD12 ILE 918 HD12 ILE 918 0.407 -10.131 7.389 484 HD13 ILE 918 HD13 ILE 918 1.182 -11.712 7.259 485 H LYS 919 H LYS 919 -0.202 -14.193 2.989 486 HA LYS 919 HA LYS 919 -0.503 -17.003 3.609 487 HB2 LYS 919 HB2 LYS 919 -1.470 -15.318 1.291 488 HB3 LYS 919 HB1 LYS 919 -1.778 -17.046 1.467 489 HG2 LYS 919 HG2 LYS 919 -3.018 -16.632 3.526 490 HG3 LYS 919 HG1 LYS 919 -2.671 -14.914 3.392 491 HD2 LYS 919 HD2 LYS 919 -4.246 -16.526 1.379 492 HD3 LYS 919 HD1 LYS 919 -4.960 -15.531 2.647 493 HE2 LYS 919 HE2 LYS 919 -3.817 -13.556 1.681 494 HE3 LYS 919 HE1 LYS 919 -3.218 -14.576 0.379 495 HZ1 LYS 919 HZ1 LYS 919 -5.462 -15.034 -0.293 496 HZ2 LYS 919 HZ2 LYS 919 -5.236 -13.368 -0.251 497 HZ3 LYS 919 HZ3 LYS 919 -6.091 -14.130 0.980 498 H LYS 920 H LYS 920 1.328 -17.910 3.387 499 HA LYS 920 HA LYS 920 3.077 -17.428 1.047 500 HB2 LYS 920 HB2 LYS 920 3.705 -15.755 2.621 501 HB3 LYS 920 HB1 LYS 920 3.713 -16.909 3.935 502 HG2 LYS 920 HG2 LYS 920 5.639 -18.029 2.841 503 HG3 LYS 920 HG1 LYS 920 5.675 -16.717 1.665 504 HD2 LYS 920 HD2 LYS 920 7.289 -16.160 3.320 505 HD3 LYS 920 HD1 LYS 920 5.905 -15.125 3.618 506 HE2 LYS 920 HE2 LYS 920 6.491 -17.680 5.153 507 HE3 LYS 920 HE1 LYS 920 6.984 -16.085 5.683 508 HZ1 LYS 920 HZ1 LYS 920 4.434 -15.578 5.625 509 HZ2 LYS 920 HZ2 LYS 920 5.090 -16.454 6.854 510 HZ3 LYS 920 HZ3 LYS 920 4.251 -17.274 5.692 511 H ASP 921 H ASP 921 2.577 -18.998 4.122 512 HA ASP 921 HA ASP 921 4.742 -20.636 4.220 513 HB2 ASP 921 HB2 ASP 921 2.094 -20.831 5.594 514 HB3 ASP 921 HB1 ASP 921 3.499 -21.811 6.009 515 H LYS 922 H LYS 922 5.270 -22.527 3.744 516 HA LYS 922 HA LYS 922 3.702 -24.063 1.856 517 HB2 LYS 922 HB2 LYS 922 5.768 -25.424 1.677 518 HB3 LYS 922 HB1 LYS 922 6.110 -23.717 1.440 519 HG2 LYS 922 HG2 LYS 922 6.899 -23.553 3.727 520 HG3 LYS 922 HG1 LYS 922 6.540 -25.262 3.974 521 HD2 LYS 922 HD2 LYS 922 8.184 -25.834 2.275 522 HD3 LYS 922 HD1 LYS 922 8.525 -24.119 2.026 523 HE2 LYS 922 HE2 LYS 922 8.936 -25.696 4.563 524 HE3 LYS 922 HE1 LYS 922 10.200 -25.091 3.493 525 HZ1 LYS 922 HZ1 LYS 922 8.299 -23.394 5.042 526 HZ2 LYS 922 HZ2 LYS 922 9.529 -22.835 4.036 527 HZ3 LYS 922 HZ3 LYS 922 9.912 -23.679 5.436 528 H LYS 923 H LYS 923 3.003 -26.230 2.329 529 HA LYS 923 HA LYS 923 2.494 -26.492 5.152 530 HB2 LYS 923 HB2 LYS 923 0.903 -28.212 4.609 531 HB3 LYS 923 HB1 LYS 923 0.612 -26.789 3.627 532 HG2 LYS 923 HG2 LYS 923 1.789 -27.929 1.743 533 HG3 LYS 923 HG1 LYS 923 1.887 -29.374 2.749 534 HD2 LYS 923 HD2 LYS 923 -0.654 -27.974 1.905 535 HD3 LYS 923 HD1 LYS 923 -0.028 -29.478 1.230 536 HE2 LYS 923 HE2 LYS 923 -0.331 -30.612 3.346 537 HE3 LYS 923 HE1 LYS 923 -0.779 -29.105 4.137 538 HZ1 LYS 923 HZ1 LYS 923 -2.321 -30.421 1.978 539 HZ2 LYS 923 HZ2 LYS 923 -2.711 -28.975 2.743 540 HZ3 LYS 923 HZ3 LYS 923 -2.715 -30.403 3.616 541 H HIS 924 H HIS 924 4.868 -27.367 3.299 542 HA HIS 924 HA HIS 924 5.853 -29.151 5.303 543 HD1 HIS 924 HD1 HIS 924 8.299 -30.811 2.474 544 HD2 HIS 924 HD2 HIS 924 6.029 -32.436 5.553 545 HE1 HIS 924 HE1 HIS 924 9.739 -32.565 3.514 546 HE2 HIS 924 HE2 HIS 924 8.361 -33.536 5.378 547 HB2 HIS 924 HB2 HIS 924 4.756 -30.742 3.698 548 HB3 HIS 924 HB1 HIS 924 5.798 -30.115 2.424 Start of MODEL 5 1 H1 GLY 850 HT1 GLY 850 15.500 -0.325 0.497 2 H2 GLY 850 HT2 GLY 850 16.386 1.100 0.771 3 H3 GLY 850 HT3 GLY 850 16.822 0.078 -0.476 4 HA2 GLY 850 HA1 GLY 850 14.778 0.550 -1.636 5 HA3 GLY 850 HA2 GLY 850 14.335 1.635 -0.317 6 H SER 851 H SER 851 14.317 3.004 -2.450 7 HA SER 851 HA SER 851 16.985 4.028 -2.964 8 HG SER 851 HG SER 851 13.932 3.276 -5.213 9 HB2 SER 851 HB2 SER 851 15.663 5.159 -4.889 10 HB3 SER 851 HB1 SER 851 15.978 3.422 -4.985 11 H HIS 852 H HIS 852 13.676 5.162 -2.559 12 HA HIS 852 HA HIS 852 12.686 6.891 -1.577 13 HD2 HIS 852 HD2 HIS 852 11.376 6.606 1.084 14 HE1 HIS 852 HE1 HIS 852 13.485 3.173 2.381 15 HE2 HIS 852 HE2 HIS 852 11.218 4.263 2.198 16 HB2 HIS 852 HB2 HIS 852 15.167 6.928 0.124 17 HB3 HIS 852 HB1 HIS 852 13.799 7.997 0.415 18 H MET 853 H MET 853 16.007 8.088 -1.682 19 HA MET 853 HA MET 853 14.960 10.596 -2.715 20 HB2 MET 853 HB2 MET 853 17.796 9.802 -2.006 21 HB3 MET 853 HB1 MET 853 17.340 11.378 -2.638 22 HG2 MET 853 HG2 MET 853 15.957 11.785 -0.680 23 HG3 MET 853 HG1 MET 853 16.354 10.184 -0.059 24 HE1 MET 853 HE1 MET 853 17.760 13.740 -0.991 25 HE2 MET 853 HE2 MET 853 18.857 12.683 -1.886 26 HE3 MET 853 HE3 MET 853 19.447 13.601 -0.501 27 H ALA 854 H ALA 854 14.169 9.831 -4.637 28 HA ALA 854 HA ALA 854 15.925 9.985 -6.863 29 HB1 ALA 854 HB1 ALA 854 16.335 7.624 -6.260 30 HB2 ALA 854 HB2 ALA 854 15.392 7.717 -7.745 31 HB3 ALA 854 HB3 ALA 854 14.596 7.325 -6.223 32 H MET 855 H MET 855 14.174 8.874 -8.729 33 HA MET 855 HA MET 855 11.632 10.258 -8.178 34 HB2 MET 855 HB2 MET 855 12.917 9.588 -10.852 35 HB3 MET 855 HB1 MET 855 11.394 10.423 -10.638 36 HG2 MET 855 HG2 MET 855 14.100 11.451 -9.791 37 HG3 MET 855 HG1 MET 855 13.208 11.951 -11.224 38 HE1 MET 855 HE1 MET 855 10.152 13.847 -9.677 39 HE2 MET 855 HE2 MET 855 10.208 12.146 -10.130 40 HE3 MET 855 HE3 MET 855 10.967 13.359 -11.163 41 H ALA 856 H ALA 856 12.686 7.523 -7.587 42 HA ALA 856 HA ALA 856 11.529 5.635 -9.370 43 HB1 ALA 856 HB1 ALA 856 12.510 5.130 -6.575 44 HB2 ALA 856 HB2 ALA 856 13.524 5.136 -8.018 45 HB3 ALA 856 HB3 ALA 856 12.242 3.936 -7.844 46 H TYR 857 H TYR 857 10.789 5.375 -6.058 47 HA TYR 857 HA TYR 857 7.945 5.293 -6.811 48 HD1 TYR 857 HD1 TYR 857 7.028 3.062 -7.781 49 HD2 TYR 857 HD2 TYR 857 10.758 2.069 -6.006 50 HE1 TYR 857 HE1 TYR 857 7.523 1.578 -9.672 51 HE2 TYR 857 HE2 TYR 857 11.268 0.589 -7.887 52 HH TYR 857 HH TYR 857 9.670 0.712 -10.753 53 HB2 TYR 857 HB2 TYR 857 9.268 3.429 -4.821 54 HB3 TYR 857 HB1 TYR 857 7.561 3.418 -5.259 55 H VAL 858 H VAL 858 10.062 6.965 -5.170 56 HA VAL 858 HA VAL 858 8.084 7.958 -3.278 57 HB VAL 858 HB VAL 858 11.039 7.663 -2.609 58 HG11 VAL 858 HG11 VAL 858 10.383 8.352 -0.337 59 HG12 VAL 858 HG12 VAL 858 8.720 8.540 -0.879 60 HG13 VAL 858 HG13 VAL 858 9.979 9.580 -1.536 61 HG21 VAL 858 HG21 VAL 858 10.383 5.971 -0.936 62 HG22 VAL 858 HG22 VAL 858 10.019 5.459 -2.587 63 HG23 VAL 858 HG23 VAL 858 8.725 6.045 -1.540 64 H ILE 859 H ILE 859 7.766 9.955 -3.856 65 HA ILE 859 HA ILE 859 10.021 11.614 -4.752 66 HB ILE 859 HB ILE 859 7.200 11.762 -5.958 67 HG12 ILE 859 HG12 ILE 859 9.685 10.569 -7.224 68 HG13 ILE 859 HG11 ILE 859 8.309 9.647 -6.636 69 HG21 ILE 859 HG21 ILE 859 8.247 13.192 -7.663 70 HG22 ILE 859 HG22 ILE 859 9.788 13.071 -6.812 71 HG23 ILE 859 HG23 ILE 859 8.420 13.873 -6.044 72 HD11 ILE 859 HD11 ILE 859 8.261 11.633 -8.904 73 HD12 ILE 859 HD12 ILE 859 6.884 10.697 -8.325 74 HD13 ILE 859 HD13 ILE 859 8.266 9.877 -9.058 75 H ARG 860 H ARG 860 9.365 14.030 -4.350 76 HA ARG 860 HA ARG 860 7.524 14.157 -2.073 77 HE ARG 860 HE ARG 860 11.736 16.160 -2.265 78 HB2 ARG 860 HB2 ARG 860 9.904 15.937 -2.640 79 HB3 ARG 860 HB1 ARG 860 8.850 16.018 -1.242 80 HG2 ARG 860 HG2 ARG 860 9.651 13.837 -0.494 81 HG3 ARG 860 HG1 ARG 860 10.689 13.737 -1.916 82 HD2 ARG 860 HD2 ARG 860 10.856 15.794 0.288 83 HD3 ARG 860 HD1 ARG 860 11.970 14.460 0.010 84 HH11 ARG 860 HH11 ARG 860 13.395 15.850 0.852 85 HH12 ARG 860 HH12 ARG 860 14.665 16.904 0.426 86 HH21 ARG 860 HH21 ARG 860 13.493 17.558 -2.858 87 HH22 ARG 860 HH22 ARG 860 14.739 17.887 -1.736 88 H ASP 861 H ASP 861 6.121 15.889 -2.117 89 HA ASP 861 HA ASP 861 5.801 17.160 -4.720 90 HB2 ASP 861 HB2 ASP 861 3.675 17.917 -4.068 91 HB3 ASP 861 HB1 ASP 861 3.798 16.405 -3.159 92 H GLU 862 H GLU 862 4.989 19.659 -4.262 93 HA GLU 862 HA GLU 862 7.446 20.986 -3.858 94 HB2 GLU 862 HB2 GLU 862 4.661 22.086 -4.183 95 HB3 GLU 862 HB1 GLU 862 6.146 23.030 -4.294 96 HG2 GLU 862 HG2 GLU 862 6.894 21.671 -6.156 97 HG3 GLU 862 HG1 GLU 862 5.442 20.685 -5.989 98 H TRP 863 H TRP 863 4.749 20.345 -1.801 99 HA TRP 863 HA TRP 863 5.620 22.179 0.303 100 HD1 TRP 863 HD TRP 863 3.651 19.068 2.807 101 HE1 TRP 863 HE1 TRP 863 3.570 20.155 5.104 102 HE3 TRP 863 HE3 TRP 863 4.075 23.933 1.395 103 HZ2 TRP 863 HZ2 TRP 863 3.663 22.771 6.217 104 HZ3 TRP 863 HZ3 TRP 863 4.077 25.685 3.133 105 HH2 TRP 863 HH TRP 863 3.873 25.105 5.500 106 HB2 TRP 863 HB2 TRP 863 3.242 21.594 0.143 107 HB3 TRP 863 HB1 TRP 863 3.637 19.895 0.388 108 H GLY 864 H GLY 864 5.749 18.700 -0.212 109 HA2 GLY 864 HA2 GLY 864 8.040 17.806 0.420 110 HA3 GLY 864 HA1 GLY 864 7.760 18.603 1.961 111 H ASN 865 H ASN 865 5.186 17.082 0.240 112 HA ASN 865 HA ASN 865 4.800 15.127 2.354 113 HB2 ASN 865 HB2 ASN 865 3.239 15.691 -0.194 114 HB3 ASN 865 HB1 ASN 865 2.766 14.542 1.042 115 HD21 ASN 865 HD21 ASN 865 3.035 17.871 0.183 116 HD22 ASN 865 HD22 ASN 865 1.998 18.491 1.429 117 H GLN 866 H GLN 866 4.668 12.868 1.785 118 HA GLN 866 HA GLN 866 6.565 12.156 -0.256 119 HB2 GLN 866 HB2 GLN 866 5.000 10.495 1.704 120 HB3 GLN 866 HB1 GLN 866 6.058 9.815 0.479 121 HG2 GLN 866 HG2 GLN 866 7.944 10.963 1.436 122 HG3 GLN 866 HG1 GLN 866 6.883 11.708 2.634 123 HE21 GLN 866 HE21 GLN 866 8.018 10.744 4.330 124 HE22 GLN 866 HE22 GLN 866 7.856 9.061 4.693 125 H ILE 867 H ILE 867 6.089 11.544 -2.129 126 HA ILE 867 HA ILE 867 3.297 11.210 -2.846 127 HB ILE 867 HB ILE 867 5.717 11.225 -4.642 128 HG12 ILE 867 HG12 ILE 867 5.436 13.420 -3.637 129 HG13 ILE 867 HG11 ILE 867 4.917 13.431 -5.327 130 HG21 ILE 867 HG21 ILE 867 2.774 11.432 -5.269 131 HG22 ILE 867 HG22 ILE 867 3.767 10.003 -5.557 132 HG23 ILE 867 HG23 ILE 867 4.073 11.507 -6.461 133 HD11 ILE 867 HD11 ILE 867 3.110 13.323 -2.930 134 HD12 ILE 867 HD12 ILE 867 2.606 13.236 -4.613 135 HD13 ILE 867 HD13 ILE 867 3.368 14.707 -4.004 136 H TRP 868 H TRP 868 2.687 9.454 -2.355 137 HA TRP 868 HA TRP 868 4.268 7.083 -2.257 138 HD1 TRP 868 HD TRP 868 4.131 6.007 0.307 139 HE1 TRP 868 HE1 TRP 868 4.113 7.209 2.574 140 HE3 TRP 868 HE3 TRP 868 0.441 9.413 -0.626 141 HZ2 TRP 868 HZ2 TRP 868 2.708 9.341 3.810 142 HZ3 TRP 868 HZ3 TRP 868 -0.183 10.990 1.151 143 HH2 TRP 868 HH TRP 868 0.935 10.948 3.322 144 HB2 TRP 868 HB2 TRP 868 1.327 7.517 -1.884 145 HB3 TRP 868 HB1 TRP 868 2.115 5.954 -1.653 146 H ILE 869 H ILE 869 4.826 6.067 -3.963 147 HA ILE 869 HA ILE 869 2.943 5.897 -6.148 148 HB ILE 869 HB ILE 869 5.907 5.256 -6.017 149 HG12 ILE 869 HG12 ILE 869 4.324 7.346 -7.512 150 HG13 ILE 869 HG11 ILE 869 5.380 7.640 -6.136 151 HG21 ILE 869 HG21 ILE 869 4.801 3.619 -7.462 152 HG22 ILE 869 HG22 ILE 869 5.760 4.742 -8.429 153 HG23 ILE 869 HG23 ILE 869 4.008 4.918 -8.350 154 HD11 ILE 869 HD11 ILE 869 6.353 8.327 -8.247 155 HD12 ILE 869 HD12 ILE 869 6.203 6.682 -8.858 156 HD13 ILE 869 HD13 ILE 869 7.296 7.034 -7.514 157 H CYS 870 H CYS 870 1.675 4.351 -6.122 158 HA CYS 870 HA CYS 870 1.703 2.214 -4.335 159 HB2 CYS 870 HB2 CYS 870 -0.317 3.215 -5.254 160 HB3 CYS 870 HB1 CYS 870 0.161 2.763 -6.875 161 HA PRO 871 HA PRO 871 4.775 -0.203 -6.674 162 HB2 PRO 871 HB2 PRO 871 3.882 -2.204 -4.675 163 HB3 PRO 871 HB1 PRO 871 5.519 -1.698 -5.096 164 HG2 PRO 871 HG2 PRO 871 4.407 -0.892 -2.826 165 HG3 PRO 871 HG1 PRO 871 5.408 0.212 -3.787 166 HD2 PRO 871 HD2 PRO 871 2.417 0.126 -3.531 167 HD3 PRO 871 HD1 PRO 871 3.524 1.503 -3.668 168 H GLY 872 H GLY 872 1.455 -0.845 -6.133 169 HA2 GLY 872 HA2 GLY 872 1.264 -3.368 -7.431 170 HA3 GLY 872 HA1 GLY 872 -0.050 -2.245 -7.085 171 H CYS 873 H CYS 873 0.779 -0.029 -8.526 172 HA CYS 873 HA CYS 873 0.302 -1.007 -11.250 173 HB2 CYS 873 HB2 CYS 873 -0.587 1.332 -11.478 174 HB3 CYS 873 HB1 CYS 873 -1.469 0.288 -10.357 175 H ASN 874 H ASN 874 2.287 0.868 -9.156 176 HA ASN 874 HA ASN 874 4.249 1.866 -9.269 177 HB2 ASN 874 HB2 ASN 874 4.342 0.995 -12.182 178 HB3 ASN 874 HB1 ASN 874 5.644 1.870 -11.386 179 HD21 ASN 874 HD21 ASN 874 5.278 0.396 -8.854 180 HD22 ASN 874 HD22 ASN 874 5.911 -1.178 -9.109 181 H LYS 875 H LYS 875 1.622 2.965 -9.770 182 HA LYS 875 HA LYS 875 2.369 5.442 -11.137 183 HB2 LYS 875 HB2 LYS 875 -0.373 4.421 -10.368 184 HB3 LYS 875 HB1 LYS 875 -0.005 5.914 -11.227 185 HG2 LYS 875 HG2 LYS 875 0.822 4.667 -13.112 186 HG3 LYS 875 HG1 LYS 875 0.604 3.160 -12.232 187 HD2 LYS 875 HD2 LYS 875 -1.810 3.551 -12.146 188 HD3 LYS 875 HD1 LYS 875 -1.600 5.072 -13.019 189 HE2 LYS 875 HE2 LYS 875 -0.675 3.844 -14.915 190 HE3 LYS 875 HE1 LYS 875 -0.890 2.327 -14.049 191 HZ1 LYS 875 HZ1 LYS 875 -3.038 4.177 -14.937 192 HZ2 LYS 875 HZ2 LYS 875 -3.299 2.755 -14.058 193 HZ3 LYS 875 HZ3 LYS 875 -2.665 2.682 -15.598 194 HA PRO 876 HA PRO 876 2.400 7.486 -7.145 195 HB2 PRO 876 HB2 PRO 876 2.145 10.002 -8.103 196 HB3 PRO 876 HB1 PRO 876 3.681 9.150 -8.124 197 HG2 PRO 876 HG2 PRO 876 1.716 9.602 -10.323 198 HG3 PRO 876 HG1 PRO 876 3.486 9.570 -10.380 199 HD2 PRO 876 HD2 PRO 876 1.932 7.491 -11.220 200 HD3 PRO 876 HD1 PRO 876 3.558 7.280 -10.567 201 H ASP 877 H ASP 877 1.152 9.092 -6.001 202 HA ASP 877 HA ASP 877 -1.600 8.723 -5.985 203 HB2 ASP 877 HB2 ASP 877 -0.424 9.607 -4.048 204 HB3 ASP 877 HB1 ASP 877 0.031 11.052 -4.944 205 H ASP 878 H ASP 878 -2.898 9.202 -7.569 206 HA ASP 878 HA ASP 878 -2.450 11.532 -9.281 207 HB2 ASP 878 HB2 ASP 878 -3.983 10.417 -10.794 208 HB3 ASP 878 HB1 ASP 878 -2.725 9.286 -10.300 209 H GLY 879 H GLY 879 -4.131 10.647 -6.571 210 HA2 GLY 879 HA2 GLY 879 -5.574 12.381 -5.606 211 HA3 GLY 879 HA1 GLY 879 -6.327 12.508 -7.189 212 H SER 880 H SER 880 -6.056 9.414 -7.304 213 HA SER 880 HA SER 880 -8.670 8.883 -6.468 214 HG SER 880 HG SER 880 -6.919 8.129 -9.054 215 HB2 SER 880 HB2 SER 880 -6.440 7.015 -7.273 216 HB3 SER 880 HB1 SER 880 -8.123 6.543 -7.083 217 HA PRO 881 HA PRO 881 -8.204 7.724 -2.252 218 HB2 PRO 881 HB2 PRO 881 -9.813 5.296 -2.650 219 HB3 PRO 881 HB1 PRO 881 -10.179 6.732 -1.693 220 HG2 PRO 881 HG2 PRO 881 -11.475 6.196 -3.982 221 HG3 PRO 881 HG1 PRO 881 -11.101 7.856 -3.477 222 HD2 PRO 881 HD2 PRO 881 -9.692 6.133 -5.488 223 HD3 PRO 881 HD1 PRO 881 -10.090 7.851 -5.587 224 H MET 882 H MET 882 -6.717 6.708 -1.118 225 HA MET 882 HA MET 882 -5.650 4.203 -2.182 226 HB2 MET 882 HB2 MET 882 -4.092 6.340 -0.687 227 HB3 MET 882 HB1 MET 882 -3.439 4.849 -1.350 228 HG2 MET 882 HG2 MET 882 -4.030 5.641 -3.617 229 HG3 MET 882 HG1 MET 882 -4.575 7.158 -2.919 230 HE1 MET 882 HE1 MET 882 -1.562 4.965 -4.009 231 HE2 MET 882 HE2 MET 882 -1.389 4.848 -2.258 232 HE3 MET 882 HE3 MET 882 -0.191 5.730 -3.210 233 H ILE 883 H ILE 883 -4.876 2.755 -0.576 234 HA ILE 883 HA ILE 883 -6.064 3.176 2.061 235 HB ILE 883 HB ILE 883 -7.482 1.591 0.792 236 HG12 ILE 883 HG12 ILE 883 -5.812 0.074 2.820 237 HG13 ILE 883 HG11 ILE 883 -7.064 1.229 3.245 238 HG21 ILE 883 HG21 ILE 883 -5.963 0.824 -0.895 239 HG22 ILE 883 HG22 ILE 883 -6.642 -0.547 -0.042 240 HG23 ILE 883 HG23 ILE 883 -4.999 -0.022 0.311 241 HD11 ILE 883 HD11 ILE 883 -7.449 -1.347 1.747 242 HD12 ILE 883 HD12 ILE 883 -8.722 -0.195 2.155 243 HD13 ILE 883 HD13 ILE 883 -7.854 -1.042 3.435 244 H GLY 884 H GLY 884 -4.847 2.352 3.812 245 HA2 GLY 884 HA2 GLY 884 -2.076 1.709 3.117 246 HA3 GLY 884 HA1 GLY 884 -2.620 2.374 4.654 247 H CYS 885 H CYS 885 -0.999 0.053 4.308 248 HA CYS 885 HA CYS 885 -2.666 -2.253 4.665 249 HB2 CYS 885 HB2 CYS 885 -0.484 -2.409 3.514 250 HB3 CYS 885 HB1 CYS 885 0.332 -1.917 4.989 251 H ASP 886 H ASP 886 -1.979 -3.673 6.533 252 HA ASP 886 HA ASP 886 -2.334 -2.138 9.016 253 HB2 ASP 886 HB2 ASP 886 -3.988 -3.984 8.436 254 HB3 ASP 886 HB1 ASP 886 -2.671 -5.133 8.629 255 H ASP 887 H ASP 887 -0.177 -4.127 7.240 256 HA ASP 887 HA ASP 887 1.582 -4.624 9.536 257 HB2 ASP 887 HB2 ASP 887 1.219 -6.464 7.935 258 HB3 ASP 887 HB1 ASP 887 1.814 -5.463 6.626 259 H CYS 888 H CYS 888 1.451 -2.785 6.513 260 HA CYS 888 HA CYS 888 3.809 -1.383 7.457 261 HB2 CYS 888 HB2 CYS 888 4.291 -0.920 4.985 262 HB3 CYS 888 HB1 CYS 888 4.621 -2.528 5.607 263 H ASP 889 H ASP 889 4.021 0.752 6.277 264 HA ASP 889 HA ASP 889 1.500 2.209 6.707 265 HB2 ASP 889 HB2 ASP 889 2.883 4.193 7.114 266 HB3 ASP 889 HB1 ASP 889 3.376 2.881 8.174 267 H ASP 890 H ASP 890 2.788 0.830 4.262 268 HA ASP 890 HA ASP 890 3.214 3.022 2.436 269 HB2 ASP 890 HB2 ASP 890 4.502 0.841 2.357 270 HB3 ASP 890 HB1 ASP 890 3.021 0.060 1.820 271 H TRP 891 H TRP 891 1.902 3.334 0.527 272 HA TRP 891 HA TRP 891 -0.914 2.767 1.157 273 HD1 TRP 891 HD TRP 891 1.357 5.769 2.389 274 HE1 TRP 891 HE1 TRP 891 0.255 6.777 4.478 275 HE3 TRP 891 HE3 TRP 891 -3.532 4.994 1.171 276 HZ2 TRP 891 HZ2 TRP 891 -2.373 7.193 5.480 277 HZ3 TRP 891 HZ3 TRP 891 -5.277 5.725 2.740 278 HH2 TRP 891 HH TRP 891 -4.700 6.804 4.853 279 HB2 TRP 891 HB2 TRP 891 0.302 5.239 -0.072 280 HB3 TRP 891 HB1 TRP 891 -1.417 4.892 -0.129 281 H TYR 892 H TYR 892 -2.189 1.928 -0.313 282 HA TYR 892 HA TYR 892 -1.144 1.545 -3.042 283 HD1 TYR 892 HD2 TYR 892 0.093 -1.051 -3.559 284 HD2 TYR 892 HD1 TYR 892 -1.180 -0.591 0.467 285 HE1 TYR 892 HE2 TYR 892 2.267 -1.878 -2.775 286 HE2 TYR 892 HE1 TYR 892 0.998 -1.389 1.258 287 HH TYR 892 HH TYR 892 3.557 -1.307 -0.552 288 HB2 TYR 892 HB2 TYR 892 -2.761 -0.410 -1.366 289 HB3 TYR 892 HB1 TYR 892 -2.246 -0.676 -3.035 290 H HIS 893 H HIS 893 -2.707 1.604 -4.659 291 HA HIS 893 HA HIS 893 -4.913 3.402 -4.056 292 HD2 HIS 893 HD2 HIS 893 -4.684 5.860 -5.826 293 HE1 HIS 893 HE1 HIS 893 -0.959 5.254 -7.721 294 HE2 HIS 893 HE2 HIS 893 -2.791 6.879 -7.253 295 HB2 HIS 893 HB2 HIS 893 -4.187 2.063 -6.661 296 HB3 HIS 893 HB1 HIS 893 -5.526 3.169 -6.480 297 H TRP 894 H TRP 894 -7.079 3.021 -4.092 298 HA TRP 894 HA TRP 894 -8.108 0.541 -3.433 299 HD1 TRP 894 HD TRP 894 -7.710 2.049 -1.646 300 HE1 TRP 894 HE1 TRP 894 -8.781 2.937 0.525 301 HE3 TRP 894 HE3 TRP 894 -12.326 3.237 -3.444 302 HZ2 TRP 894 HZ2 TRP 894 -11.257 4.021 1.355 303 HZ3 TRP 894 HZ3 TRP 894 -13.988 4.200 -1.907 304 HH2 TRP 894 HH TRP 894 -13.452 4.573 0.440 305 HB2 TRP 894 HB2 TRP 894 -9.431 3.009 -4.528 306 HB3 TRP 894 HB1 TRP 894 -10.361 1.550 -4.226 307 HA PRO 895 HA PRO 895 -9.515 -0.164 -8.083 308 HB2 PRO 895 HB2 PRO 895 -7.930 1.058 -9.956 309 HB3 PRO 895 HB1 PRO 895 -9.470 1.725 -9.391 310 HG2 PRO 895 HG2 PRO 895 -6.686 2.363 -8.480 311 HG3 PRO 895 HG1 PRO 895 -8.004 3.478 -8.891 312 HD2 PRO 895 HD2 PRO 895 -7.489 2.935 -6.345 313 HD3 PRO 895 HD1 PRO 895 -9.160 3.014 -6.904 314 H CYS 896 H CYS 896 -6.333 -0.006 -6.770 315 HA CYS 896 HA CYS 896 -5.207 -1.817 -8.717 316 HB2 CYS 896 HB2 CYS 896 -4.159 -0.643 -6.169 317 HB3 CYS 896 HB1 CYS 896 -3.195 -1.658 -7.228 318 H VAL 897 H VAL 897 -6.661 -1.889 -5.611 319 HA VAL 897 HA VAL 897 -5.945 -4.700 -5.385 320 HB VAL 897 HB VAL 897 -6.545 -4.428 -2.920 321 HG11 VAL 897 HG11 VAL 897 -4.219 -4.476 -3.731 322 HG12 VAL 897 HG12 VAL 897 -4.372 -3.323 -2.408 323 HG13 VAL 897 HG13 VAL 897 -4.298 -2.754 -4.072 324 HG21 VAL 897 HG21 VAL 897 -7.866 -2.356 -3.191 325 HG22 VAL 897 HG22 VAL 897 -6.395 -1.518 -3.683 326 HG23 VAL 897 HG23 VAL 897 -6.546 -2.128 -2.039 327 H GLY 898 H GLY 898 -8.410 -2.771 -6.299 328 HA2 GLY 898 HA2 GLY 898 -10.452 -3.535 -7.114 329 HA3 GLY 898 HA1 GLY 898 -10.216 -5.023 -6.204 330 H ILE 899 H ILE 899 -9.950 -1.846 -4.824 331 HA ILE 899 HA ILE 899 -12.257 -2.511 -3.193 332 HB ILE 899 HB ILE 899 -9.980 -0.585 -2.705 333 HG12 ILE 899 HG12 ILE 899 -11.007 -3.002 -1.225 334 HG13 ILE 899 HG11 ILE 899 -9.556 -2.944 -2.214 335 HG21 ILE 899 HG21 ILE 899 -12.068 0.501 -1.972 336 HG22 ILE 899 HG22 ILE 899 -11.036 0.079 -0.619 337 HG23 ILE 899 HG23 ILE 899 -12.451 -0.913 -0.985 338 HD11 ILE 899 HD11 ILE 899 -10.081 -1.416 0.293 339 HD12 ILE 899 HD12 ILE 899 -8.597 -1.335 -0.661 340 HD13 ILE 899 HD13 ILE 899 -9.049 -2.843 0.157 341 H MET 900 H MET 900 -14.019 -1.593 -3.423 342 HA MET 900 HA MET 900 -14.219 0.670 -5.285 343 HB2 MET 900 HB2 MET 900 -16.485 -0.088 -5.780 344 HB3 MET 900 HB1 MET 900 -15.328 -1.378 -6.025 345 HG2 MET 900 HG2 MET 900 -15.954 -2.305 -3.810 346 HG3 MET 900 HG1 MET 900 -17.198 -1.065 -3.691 347 HE1 MET 900 HE1 MET 900 -19.086 -2.885 -3.327 348 HE2 MET 900 HE2 MET 900 -17.848 -4.142 -3.384 349 HE3 MET 900 HE3 MET 900 -19.301 -4.295 -4.371 350 H ALA 901 H ALA 901 -14.687 -0.210 -1.989 351 HA ALA 901 HA ALA 901 -15.804 2.348 -1.391 352 HB1 ALA 901 HB1 ALA 901 -17.255 -0.221 -0.708 353 HB2 ALA 901 HB2 ALA 901 -17.837 1.030 -1.811 354 HB3 ALA 901 HB3 ALA 901 -17.669 1.379 -0.089 355 H ALA 902 H ALA 902 -15.458 2.809 0.809 356 HA ALA 902 HA ALA 902 -13.116 1.889 1.883 357 HB1 ALA 902 HB1 ALA 902 -13.744 3.089 3.914 358 HB2 ALA 902 HB2 ALA 902 -15.416 3.160 3.363 359 HB3 ALA 902 HB3 ALA 902 -14.159 4.025 2.480 360 HA PRO 903 HA PRO 903 -14.624 -2.063 3.439 361 HB2 PRO 903 HB2 PRO 903 -12.185 -2.962 4.259 362 HB3 PRO 903 HB1 PRO 903 -12.726 -3.062 2.579 363 HG2 PRO 903 HG2 PRO 903 -10.922 -1.065 3.878 364 HG3 PRO 903 HG1 PRO 903 -10.781 -1.829 2.287 365 HD2 PRO 903 HD2 PRO 903 -11.727 0.695 2.600 366 HD3 PRO 903 HD1 PRO 903 -12.313 -0.368 1.318 367 HA PRO 904 HA PRO 904 -15.119 -1.065 7.739 368 HB2 PRO 904 HB2 PRO 904 -14.840 -3.965 8.238 369 HB3 PRO 904 HB1 PRO 904 -16.151 -2.880 8.699 370 HG2 PRO 904 HG2 PRO 904 -16.490 -4.600 6.702 371 HG3 PRO 904 HG1 PRO 904 -17.140 -2.951 6.605 372 HD2 PRO 904 HD2 PRO 904 -14.712 -4.115 5.312 373 HD3 PRO 904 HD1 PRO 904 -15.912 -2.969 4.663 374 H GLU 905 H GLU 905 -13.660 -0.374 9.108 375 HA GLU 905 HA GLU 905 -10.922 -1.227 8.888 376 HB2 GLU 905 HB2 GLU 905 -10.397 0.570 10.446 377 HB3 GLU 905 HB1 GLU 905 -11.485 1.151 9.199 378 HG2 GLU 905 HG2 GLU 905 -13.363 0.835 10.797 379 HG3 GLU 905 HG1 GLU 905 -12.170 0.471 12.041 380 H GLU 906 H GLU 906 -13.536 -2.220 10.649 381 HA GLU 906 HA GLU 906 -12.290 -3.233 13.003 382 HB2 GLU 906 HB2 GLU 906 -14.286 -4.653 13.202 383 HB3 GLU 906 HB1 GLU 906 -14.729 -2.988 12.853 384 HG2 GLU 906 HG2 GLU 906 -15.122 -3.552 10.531 385 HG3 GLU 906 HG1 GLU 906 -14.603 -5.207 10.820 386 H MET 907 H MET 907 -12.230 -4.120 9.735 387 HA MET 907 HA MET 907 -11.360 -6.840 10.318 388 HB2 MET 907 HB2 MET 907 -13.215 -6.521 8.705 389 HB3 MET 907 HB1 MET 907 -12.160 -5.524 7.722 390 HG2 MET 907 HG2 MET 907 -12.312 -7.715 6.783 391 HG3 MET 907 HG1 MET 907 -10.679 -7.444 7.376 392 HE1 MET 907 HE1 MET 907 -14.096 -9.282 7.975 393 HE2 MET 907 HE2 MET 907 -13.932 -8.351 9.463 394 HE3 MET 907 HE3 MET 907 -13.806 -10.108 9.503 395 H GLN 908 H GLN 908 -9.408 -7.542 9.449 396 HA GLN 908 HA GLN 908 -7.434 -5.454 9.101 397 HB2 GLN 908 HB2 GLN 908 -7.153 -8.454 9.234 398 HB3 GLN 908 HB1 GLN 908 -5.813 -7.351 9.012 399 HG2 GLN 908 HG2 GLN 908 -6.187 -6.359 11.166 400 HG3 GLN 908 HG1 GLN 908 -7.647 -7.321 11.391 401 HE21 GLN 908 HE21 GLN 908 -5.210 -7.152 12.988 402 HE22 GLN 908 HE22 GLN 908 -4.605 -8.756 13.096 403 H TRP 909 H TRP 909 -6.106 -5.280 7.314 404 HA TRP 909 HA TRP 909 -6.922 -6.649 4.896 405 HD1 TRP 909 HD TRP 909 -8.785 -5.339 2.571 406 HE1 TRP 909 HE1 TRP 909 -7.861 -4.724 0.258 407 HE3 TRP 909 HE3 TRP 909 -4.489 -3.005 4.022 408 HZ2 TRP 909 HZ2 TRP 909 -5.603 -3.394 -0.802 409 HZ3 TRP 909 HZ3 TRP 909 -2.991 -2.089 2.298 410 HH2 TRP 909 HH TRP 909 -3.538 -2.288 -0.069 411 HB2 TRP 909 HB2 TRP 909 -8.181 -4.513 5.012 412 HB3 TRP 909 HB1 TRP 909 -6.668 -3.646 5.241 413 H PHE 910 H PHE 910 -5.144 -7.201 3.780 414 HA PHE 910 HA PHE 910 -2.649 -5.839 4.455 415 HD1 PHE 910 HD2 PHE 910 -1.002 -6.926 6.387 416 HD2 PHE 910 HD1 PHE 910 -4.280 -9.521 5.687 417 HE1 PHE 910 HE2 PHE 910 -1.231 -7.265 8.817 418 HE2 PHE 910 HE1 PHE 910 -4.533 -9.875 8.126 419 HZ PHE 910 HZ PHE 910 -3.006 -8.747 9.686 420 HB2 PHE 910 HB2 PHE 910 -2.989 -8.800 3.904 421 HB3 PHE 910 HB1 PHE 910 -1.455 -7.976 4.160 422 H CYS 911 H CYS 911 -1.350 -5.378 2.788 423 HA CYS 911 HA CYS 911 -2.534 -5.103 0.251 424 HB2 CYS 911 HB2 CYS 911 -0.298 -4.185 -0.306 425 HB3 CYS 911 HB1 CYS 911 -0.986 -3.494 1.161 426 HA PRO 912 HA PRO 912 -1.053 -8.748 -1.920 427 HB2 PRO 912 HB2 PRO 912 0.184 -7.558 -4.110 428 HB3 PRO 912 HB1 PRO 912 -1.546 -7.908 -3.995 429 HG2 PRO 912 HG2 PRO 912 -0.085 -5.350 -3.468 430 HG3 PRO 912 HG1 PRO 912 -1.639 -5.588 -4.287 431 HD2 PRO 912 HD2 PRO 912 -1.557 -4.716 -1.798 432 HD3 PRO 912 HD1 PRO 912 -2.776 -5.903 -2.295 433 H LYS 913 H LYS 913 1.067 -6.353 -0.729 434 HA LYS 913 HA LYS 913 3.469 -7.818 -1.424 435 HB2 LYS 913 HB2 LYS 913 3.107 -5.265 0.173 436 HB3 LYS 913 HB1 LYS 913 4.665 -5.995 -0.198 437 HG2 LYS 913 HG2 LYS 913 2.685 -4.986 -2.235 438 HG3 LYS 913 HG1 LYS 913 4.138 -4.135 -1.710 439 HD2 LYS 913 HD2 LYS 913 5.550 -5.823 -2.624 440 HD3 LYS 913 HD1 LYS 913 4.196 -6.899 -2.935 441 HE2 LYS 913 HE2 LYS 913 3.328 -5.216 -4.548 442 HE3 LYS 913 HE1 LYS 913 4.798 -4.278 -4.294 443 HZ1 LYS 913 HZ1 LYS 913 4.684 -7.067 -5.308 444 HZ2 LYS 913 HZ2 LYS 913 6.093 -6.158 -5.120 445 HZ3 LYS 913 HZ3 LYS 913 4.949 -5.706 -6.260 446 H CYS 914 H CYS 914 1.664 -6.960 1.516 447 HA CYS 914 HA CYS 914 3.321 -8.697 3.039 448 HB2 CYS 914 HB2 CYS 914 0.764 -7.284 3.732 449 HB3 CYS 914 HB1 CYS 914 1.649 -8.299 4.874 450 H ALA 915 H ALA 915 0.339 -9.097 1.326 451 HA ALA 915 HA ALA 915 -0.277 -11.622 2.448 452 HB1 ALA 915 HB1 ALA 915 -1.705 -11.945 0.500 453 HB2 ALA 915 HB2 ALA 915 -0.955 -10.553 -0.293 454 HB3 ALA 915 HB3 ALA 915 -1.915 -10.334 1.186 455 H ASN 916 H ASN 916 2.010 -10.549 0.121 456 HA ASN 916 HA ASN 916 2.608 -13.066 -1.060 457 HB2 ASN 916 HB2 ASN 916 3.282 -10.920 -2.103 458 HB3 ASN 916 HB1 ASN 916 4.365 -10.606 -0.760 459 HD21 ASN 916 HD21 ASN 916 3.960 -13.766 -2.306 460 HD22 ASN 916 HD22 ASN 916 5.540 -13.815 -2.985 461 H LYS 917 H LYS 917 3.752 -11.328 1.752 462 HA LYS 917 HA LYS 917 5.893 -12.961 2.540 463 HB2 LYS 917 HB2 LYS 917 3.950 -11.445 4.297 464 HB3 LYS 917 HB1 LYS 917 5.521 -12.042 4.794 465 HG2 LYS 917 HG2 LYS 917 6.640 -10.484 3.375 466 HG3 LYS 917 HG1 LYS 917 5.118 -10.001 2.618 467 HD2 LYS 917 HD2 LYS 917 4.337 -9.169 4.825 468 HD3 LYS 917 HD1 LYS 917 5.904 -9.594 5.501 469 HE2 LYS 917 HE2 LYS 917 7.021 -7.986 4.135 470 HE3 LYS 917 HE1 LYS 917 5.558 -7.682 3.200 471 HZ1 LYS 917 HZ1 LYS 917 6.020 -5.954 4.894 472 HZ2 LYS 917 HZ2 LYS 917 5.754 -7.080 6.123 473 HZ3 LYS 917 HZ3 LYS 917 4.533 -6.679 5.049 474 H ILE 918 H ILE 918 2.464 -13.136 3.094 475 HA ILE 918 HA ILE 918 2.334 -15.178 5.015 476 HB ILE 918 HB ILE 918 0.310 -14.394 2.901 477 HG12 ILE 918 HG12 ILE 918 0.920 -12.494 4.321 478 HG13 ILE 918 HG11 ILE 918 -0.730 -13.006 4.630 479 HG21 ILE 918 HG21 ILE 918 -0.112 -15.950 5.444 480 HG22 ILE 918 HG22 ILE 918 -0.251 -16.566 3.797 481 HG23 ILE 918 HG23 ILE 918 -1.393 -15.362 4.387 482 HD11 ILE 918 HD11 ILE 918 0.006 -14.132 6.664 483 HD12 ILE 918 HD12 ILE 918 0.421 -12.417 6.673 484 HD13 ILE 918 HD13 ILE 918 1.666 -13.622 6.346 485 H LYS 919 H LYS 919 2.550 -15.307 1.465 486 HA LYS 919 HA LYS 919 2.056 -18.129 1.650 487 HB2 LYS 919 HB2 LYS 919 1.723 -18.039 -0.787 488 HB3 LYS 919 HB1 LYS 919 0.545 -17.154 0.176 489 HG2 LYS 919 HG2 LYS 919 1.807 -15.103 -0.318 490 HG3 LYS 919 HG1 LYS 919 2.844 -16.042 -1.401 491 HD2 LYS 919 HD2 LYS 919 0.922 -16.662 -2.744 492 HD3 LYS 919 HD1 LYS 919 -0.155 -15.817 -1.643 493 HE2 LYS 919 HE2 LYS 919 1.005 -13.696 -2.214 494 HE3 LYS 919 HE1 LYS 919 1.973 -14.579 -3.397 495 HZ1 LYS 919 HZ1 LYS 919 -0.119 -15.180 -4.523 496 HZ2 LYS 919 HZ2 LYS 919 0.091 -13.513 -4.454 497 HZ3 LYS 919 HZ3 LYS 919 -0.969 -14.263 -3.399 498 H LYS 920 H LYS 920 4.805 -16.326 1.542 499 HA LYS 920 HA LYS 920 6.123 -18.254 -0.171 500 HB2 LYS 920 HB2 LYS 920 7.511 -16.178 1.520 501 HB3 LYS 920 HB1 LYS 920 8.174 -17.124 0.209 502 HG2 LYS 920 HG2 LYS 920 6.360 -15.886 -1.210 503 HG3 LYS 920 HG1 LYS 920 6.427 -14.722 0.112 504 HD2 LYS 920 HD2 LYS 920 8.637 -15.552 -1.772 505 HD3 LYS 920 HD1 LYS 920 7.979 -13.945 -1.512 506 HE2 LYS 920 HE2 LYS 920 9.675 -15.528 0.436 507 HE3 LYS 920 HE1 LYS 920 10.214 -14.174 -0.539 508 HZ1 LYS 920 HZ1 LYS 920 8.677 -12.755 0.706 509 HZ2 LYS 920 HZ2 LYS 920 9.817 -13.516 1.682 510 HZ3 LYS 920 HZ3 LYS 920 8.226 -14.082 1.663 511 H ASP 921 H ASP 921 6.030 -20.154 0.752 512 HA ASP 921 HA ASP 921 6.643 -20.563 3.564 513 HB2 ASP 921 HB2 ASP 921 6.179 -22.633 1.396 514 HB3 ASP 921 HB1 ASP 921 6.258 -22.928 3.116 515 H LYS 922 H LYS 922 8.191 -20.633 0.556 516 HA LYS 922 HA LYS 922 10.201 -22.533 1.203 517 HB2 LYS 922 HB2 LYS 922 10.214 -20.486 -0.994 518 HB3 LYS 922 HB1 LYS 922 11.269 -21.891 -0.887 519 HG2 LYS 922 HG2 LYS 922 9.239 -23.330 -1.023 520 HG3 LYS 922 HG1 LYS 922 8.286 -21.869 -1.292 521 HD2 LYS 922 HD2 LYS 922 10.514 -22.913 -3.047 522 HD3 LYS 922 HD1 LYS 922 8.794 -22.953 -3.411 523 HE2 LYS 922 HE2 LYS 922 8.748 -20.489 -3.426 524 HE3 LYS 922 HE1 LYS 922 10.472 -20.467 -3.065 525 HZ1 LYS 922 HZ1 LYS 922 10.136 -20.147 -5.391 526 HZ2 LYS 922 HZ2 LYS 922 9.193 -21.530 -5.510 527 HZ3 LYS 922 HZ3 LYS 922 10.833 -21.672 -5.179 528 H LYS 923 H LYS 923 10.162 -18.965 1.147 529 HA LYS 923 HA LYS 923 12.372 -18.912 3.005 530 HB2 LYS 923 HB2 LYS 923 13.356 -19.007 0.652 531 HB3 LYS 923 HB1 LYS 923 12.570 -17.470 0.345 532 HG2 LYS 923 HG2 LYS 923 13.885 -16.484 2.209 533 HG3 LYS 923 HG1 LYS 923 14.748 -18.012 2.358 534 HD2 LYS 923 HD2 LYS 923 14.689 -16.201 -0.064 535 HD3 LYS 923 HD1 LYS 923 16.039 -16.428 1.037 536 HE2 LYS 923 HE2 LYS 923 14.845 -18.563 -0.746 537 HE3 LYS 923 HE1 LYS 923 16.321 -17.675 -1.072 538 HZ1 LYS 923 HZ1 LYS 923 17.329 -18.682 0.887 539 HZ2 LYS 923 HZ2 LYS 923 16.744 -19.869 -0.146 540 HZ3 LYS 923 HZ3 LYS 923 15.897 -19.491 1.246 541 H HIS 924 H HIS 924 12.573 -16.666 3.851 542 HA HIS 924 HA HIS 924 10.075 -15.183 3.484 543 HD1 HIS 924 HD1 HIS 924 8.514 -14.516 6.596 544 HD2 HIS 924 HD2 HIS 924 10.707 -17.972 5.978 545 HE1 HIS 924 HE1 HIS 924 7.120 -16.364 7.549 546 HE2 HIS 924 HE2 HIS 924 8.700 -18.300 7.548 547 HB2 HIS 924 HB2 HIS 924 11.928 -15.328 5.861 548 HB3 HIS 924 HB1 HIS 924 10.740 -14.048 5.674 Start of MODEL 6 1 H1 GLY 850 HT1 GLY 850 22.909 13.112 -18.050 2 H2 GLY 850 HT2 GLY 850 23.821 14.022 -16.942 3 H3 GLY 850 HT3 GLY 850 22.170 13.683 -16.661 4 HA2 GLY 850 HA1 GLY 850 24.243 11.610 -16.848 5 HA3 GLY 850 HA2 GLY 850 23.642 12.274 -15.333 6 H SER 851 H SER 851 23.446 9.579 -16.802 7 HA SER 851 HA SER 851 20.626 9.240 -17.217 8 HG SER 851 HG SER 851 23.493 8.028 -18.819 9 HB2 SER 851 HB2 SER 851 22.839 7.195 -17.000 10 HB3 SER 851 HB1 SER 851 21.244 6.948 -17.715 11 H HIS 852 H HIS 852 19.311 7.760 -15.880 12 HA HIS 852 HA HIS 852 20.386 6.952 -13.335 13 HD2 HIS 852 HD2 HIS 852 18.004 10.574 -14.871 14 HE1 HIS 852 HE1 HIS 852 14.379 9.068 -13.276 15 HE2 HIS 852 HE2 HIS 852 15.425 10.489 -15.094 16 HB2 HIS 852 HB2 HIS 852 18.793 8.138 -11.938 17 HB3 HIS 852 HB1 HIS 852 19.628 9.334 -12.919 18 H MET 853 H MET 853 18.482 5.960 -12.063 19 HA MET 853 HA MET 853 16.248 5.013 -13.585 20 HB2 MET 853 HB2 MET 853 16.716 2.606 -13.225 21 HB3 MET 853 HB1 MET 853 17.962 3.329 -14.221 22 HG2 MET 853 HG2 MET 853 19.414 3.455 -12.237 23 HG3 MET 853 HG1 MET 853 18.154 2.644 -11.308 24 HE1 MET 853 HE1 MET 853 21.114 1.622 -11.456 25 HE2 MET 853 HE2 MET 853 20.883 -0.110 -11.679 26 HE3 MET 853 HE3 MET 853 19.856 0.775 -10.550 27 H ALA 854 H ALA 854 16.657 6.740 -11.546 28 HA ALA 854 HA ALA 854 16.410 5.543 -8.976 29 HB1 ALA 854 HB1 ALA 854 15.949 8.387 -9.863 30 HB2 ALA 854 HB2 ALA 854 17.475 7.720 -9.288 31 HB3 ALA 854 HB3 ALA 854 16.096 7.827 -8.195 32 H MET 855 H MET 855 14.679 4.874 -8.056 33 HA MET 855 HA MET 855 12.080 5.885 -8.875 34 HB2 MET 855 HB2 MET 855 11.136 3.609 -8.808 35 HB3 MET 855 HB1 MET 855 12.360 3.745 -10.055 36 HG2 MET 855 HG2 MET 855 13.973 2.636 -8.565 37 HG3 MET 855 HG1 MET 855 12.716 2.477 -7.344 38 HE1 MET 855 HE1 MET 855 10.219 -0.011 -9.108 39 HE2 MET 855 HE2 MET 855 10.151 1.741 -9.205 40 HE3 MET 855 HE3 MET 855 10.526 0.959 -7.668 41 H ALA 856 H ALA 856 10.765 6.248 -7.182 42 HA ALA 856 HA ALA 856 11.409 5.105 -4.609 43 HB1 ALA 856 HB1 ALA 856 12.654 7.204 -4.658 44 HB2 ALA 856 HB2 ALA 856 11.340 7.233 -3.486 45 HB3 ALA 856 HB3 ALA 856 11.167 8.089 -5.029 46 H TYR 857 H TYR 857 9.577 6.251 -3.048 47 HA TYR 857 HA TYR 857 7.168 5.808 -4.617 48 HD1 TYR 857 HD1 TYR 857 9.746 3.725 -2.555 49 HD2 TYR 857 HD2 TYR 857 5.961 2.883 -4.302 50 HE1 TYR 857 HE1 TYR 857 10.678 1.731 -3.517 51 HE2 TYR 857 HE2 TYR 857 6.874 0.827 -5.290 52 HH TYR 857 HH TYR 857 9.792 -0.501 -4.307 53 HB2 TYR 857 HB2 TYR 857 7.685 4.860 -1.791 54 HB3 TYR 857 HB1 TYR 857 6.179 4.636 -2.680 55 H VAL 858 H VAL 858 8.713 8.175 -3.259 56 HA VAL 858 HA VAL 858 6.275 9.499 -2.355 57 HB VAL 858 HB VAL 858 9.004 9.910 -1.065 58 HG11 VAL 858 HG11 VAL 858 7.613 11.901 -1.050 59 HG12 VAL 858 HG12 VAL 858 7.798 11.261 0.583 60 HG13 VAL 858 HG13 VAL 858 6.296 10.997 -0.306 61 HG21 VAL 858 HG21 VAL 858 8.072 8.849 0.958 62 HG22 VAL 858 HG22 VAL 858 8.120 7.728 -0.403 63 HG23 VAL 858 HG23 VAL 858 6.595 8.475 0.067 64 H ILE 859 H ILE 859 5.962 11.317 -3.405 65 HA ILE 859 HA ILE 859 8.187 12.803 -4.635 66 HB ILE 859 HB ILE 859 5.517 12.266 -6.061 67 HG12 ILE 859 HG12 ILE 859 8.212 11.012 -6.645 68 HG13 ILE 859 HG11 ILE 859 6.838 10.184 -5.935 69 HG21 ILE 859 HG21 ILE 859 8.068 13.515 -7.087 70 HG22 ILE 859 HG22 ILE 859 6.575 14.368 -6.699 71 HG23 ILE 859 HG23 ILE 859 6.612 13.214 -8.035 72 HD11 ILE 859 HD11 ILE 859 6.897 11.379 -8.695 73 HD12 ILE 859 HD12 ILE 859 5.560 10.473 -7.979 74 HD13 ILE 859 HD13 ILE 859 7.098 9.672 -8.309 75 H ARG 860 H ARG 860 7.396 15.165 -5.016 76 HA ARG 860 HA ARG 860 5.303 15.731 -3.086 77 HE ARG 860 HE ARG 860 9.821 17.334 -0.638 78 HB2 ARG 860 HB2 ARG 860 7.411 17.593 -4.190 79 HB3 ARG 860 HB1 ARG 860 6.095 18.080 -3.137 80 HG2 ARG 860 HG2 ARG 860 6.976 16.506 -1.423 81 HG3 ARG 860 HG1 ARG 860 8.373 16.249 -2.475 82 HD2 ARG 860 HD2 ARG 860 8.872 18.624 -2.424 83 HD3 ARG 860 HD1 ARG 860 7.472 18.916 -1.393 84 HH11 ARG 860 HH11 ARG 860 7.171 19.535 0.268 85 HH12 ARG 860 HH12 ARG 860 7.702 19.771 1.848 86 HH21 ARG 860 HH21 ARG 860 10.565 17.679 1.566 87 HH22 ARG 860 HH22 ARG 860 9.683 18.675 2.622 88 H ASP 861 H ASP 861 3.631 16.766 -3.558 89 HA ASP 861 HA ASP 861 2.680 17.087 -6.254 90 HB2 ASP 861 HB2 ASP 861 1.096 16.413 -4.606 91 HB3 ASP 861 HB1 ASP 861 1.637 17.699 -3.513 92 H GLU 862 H GLU 862 1.543 19.298 -6.613 93 HA GLU 862 HA GLU 862 3.694 21.199 -6.809 94 HB2 GLU 862 HB2 GLU 862 2.085 22.694 -7.956 95 HB3 GLU 862 HB1 GLU 862 2.210 21.100 -8.682 96 HG2 GLU 862 HG2 GLU 862 0.105 20.446 -7.737 97 HG3 GLU 862 HG1 GLU 862 0.015 21.949 -6.807 98 H TRP 863 H TRP 863 0.947 20.827 -4.646 99 HA TRP 863 HA TRP 863 1.391 23.424 -3.532 100 HD1 TRP 863 HD TRP 863 -1.959 20.857 -4.698 101 HE1 TRP 863 HE1 TRP 863 -3.452 22.461 -6.055 102 HE3 TRP 863 HE3 TRP 863 -0.330 25.204 -2.785 103 HZ2 TRP 863 HZ2 TRP 863 -3.891 25.239 -6.265 104 HZ3 TRP 863 HZ3 TRP 863 -1.315 27.353 -3.589 105 HH2 TRP 863 HH TRP 863 -3.059 27.348 -5.305 106 HB2 TRP 863 HB2 TRP 863 -0.389 21.143 -2.671 107 HB3 TRP 863 HB1 TRP 863 -0.348 22.730 -1.917 108 H GLY 864 H GLY 864 2.907 20.510 -3.385 109 HA2 GLY 864 HA2 GLY 864 4.725 19.977 -2.022 110 HA3 GLY 864 HA1 GLY 864 4.158 21.115 -0.817 111 H ASN 865 H ASN 865 1.726 19.132 -2.029 112 HA ASN 865 HA ASN 865 1.483 17.684 0.432 113 HB2 ASN 865 HB2 ASN 865 0.049 17.181 -2.210 114 HB3 ASN 865 HB1 ASN 865 -0.345 16.412 -0.685 115 HD21 ASN 865 HD21 ASN 865 -0.751 19.195 -2.696 116 HD22 ASN 865 HD22 ASN 865 -1.816 20.025 -1.637 117 H GLN 866 H GLN 866 1.542 15.296 0.513 118 HA GLN 866 HA GLN 866 3.851 14.482 -1.005 119 HB2 GLN 866 HB2 GLN 866 2.577 13.276 1.432 120 HB3 GLN 866 HB1 GLN 866 3.949 12.563 0.590 121 HG2 GLN 866 HG2 GLN 866 5.263 14.562 0.975 122 HG3 GLN 866 HG1 GLN 866 3.890 15.324 1.765 123 HE21 GLN 866 HE21 GLN 866 6.555 14.770 2.730 124 HE22 GLN 866 HE22 GLN 866 6.398 13.812 4.150 125 H ILE 867 H ILE 867 3.888 13.159 -2.511 126 HA ILE 867 HA ILE 867 1.440 11.805 -3.360 127 HB ILE 867 HB ILE 867 4.056 12.310 -4.774 128 HG12 ILE 867 HG12 ILE 867 2.754 14.370 -4.526 129 HG13 ILE 867 HG11 ILE 867 2.829 13.841 -6.205 130 HG21 ILE 867 HG21 ILE 867 1.522 11.088 -5.851 131 HG22 ILE 867 HG22 ILE 867 3.029 10.240 -5.536 132 HG23 ILE 867 HG23 ILE 867 2.957 11.472 -6.808 133 HD11 ILE 867 HD11 ILE 867 0.619 14.650 -5.666 134 HD12 ILE 867 HD12 ILE 867 0.511 13.480 -4.344 135 HD13 ILE 867 HD13 ILE 867 0.602 12.917 -6.014 136 H TRP 868 H TRP 868 1.338 9.721 -3.050 137 HA TRP 868 HA TRP 868 3.801 8.294 -2.372 138 HD1 TRP 868 HD TRP 868 4.122 7.808 0.474 139 HE1 TRP 868 HE1 TRP 868 3.633 9.394 2.453 140 HE3 TRP 868 HE3 TRP 868 -0.553 9.367 -0.869 141 HZ2 TRP 868 HZ2 TRP 868 1.539 11.075 3.318 142 HZ3 TRP 868 HZ3 TRP 868 -1.731 10.959 0.590 143 HH2 TRP 868 HH TRP 868 -0.697 11.791 2.638 144 HB2 TRP 868 HB2 TRP 868 0.940 7.654 -1.730 145 HB3 TRP 868 HB1 TRP 868 2.308 6.622 -1.302 146 H ILE 869 H ILE 869 4.096 6.274 -3.262 147 HA ILE 869 HA ILE 869 2.584 5.815 -5.715 148 HB ILE 869 HB ILE 869 5.475 5.275 -5.074 149 HG12 ILE 869 HG12 ILE 869 4.117 6.946 -7.189 150 HG13 ILE 869 HG11 ILE 869 5.055 7.543 -5.820 151 HG21 ILE 869 HG21 ILE 869 4.654 3.306 -6.210 152 HG22 ILE 869 HG22 ILE 869 5.729 4.217 -7.270 153 HG23 ILE 869 HG23 ILE 869 3.982 4.304 -7.499 154 HD11 ILE 869 HD11 ILE 869 6.256 7.774 -7.866 155 HD12 ILE 869 HD12 ILE 869 6.020 6.077 -8.250 156 HD13 ILE 869 HD13 ILE 869 7.060 6.537 -6.890 157 H CYS 870 H CYS 870 1.678 3.996 -6.048 158 HA CYS 870 HA CYS 870 1.241 2.175 -3.892 159 HB2 CYS 870 HB2 CYS 870 -0.556 3.026 -5.308 160 HB3 CYS 870 HB1 CYS 870 0.244 2.409 -6.729 161 HA PRO 871 HA PRO 871 4.695 -0.400 -5.490 162 HB2 PRO 871 HB2 PRO 871 3.814 -2.107 -3.234 163 HB3 PRO 871 HB1 PRO 871 5.413 -1.457 -3.592 164 HG2 PRO 871 HG2 PRO 871 3.939 -0.472 -1.596 165 HG3 PRO 871 HG1 PRO 871 4.966 0.575 -2.591 166 HD2 PRO 871 HD2 PRO 871 1.974 0.232 -2.705 167 HD3 PRO 871 HD1 PRO 871 2.986 1.673 -2.886 168 H GLY 872 H GLY 872 1.416 -0.882 -5.611 169 HA2 GLY 872 HA2 GLY 872 1.526 -3.658 -6.470 170 HA3 GLY 872 HA1 GLY 872 0.090 -2.647 -6.374 171 H CYS 873 H CYS 873 1.708 -0.491 -7.866 172 HA CYS 873 HA CYS 873 1.645 -1.689 -10.565 173 HB2 CYS 873 HB2 CYS 873 0.488 0.442 -11.245 174 HB3 CYS 873 HB1 CYS 873 -0.460 -0.685 -10.274 175 H ASN 874 H ASN 874 2.913 0.641 -8.342 176 HA ASN 874 HA ASN 874 4.657 1.936 -8.224 177 HB2 ASN 874 HB2 ASN 874 6.027 0.256 -9.521 178 HB3 ASN 874 HB1 ASN 874 5.525 1.028 -11.017 179 HD21 ASN 874 HD21 ASN 874 6.759 2.674 -11.771 180 HD22 ASN 874 HD22 ASN 874 8.045 3.441 -10.912 181 H LYS 875 H LYS 875 2.048 2.478 -9.415 182 HA LYS 875 HA LYS 875 2.570 4.944 -10.852 183 HB2 LYS 875 HB2 LYS 875 -0.003 3.689 -9.911 184 HB3 LYS 875 HB1 LYS 875 0.143 5.214 -10.759 185 HG2 LYS 875 HG2 LYS 875 0.883 4.094 -12.744 186 HG3 LYS 875 HG1 LYS 875 0.925 2.541 -11.894 187 HD2 LYS 875 HD2 LYS 875 -1.450 2.696 -11.440 188 HD3 LYS 875 HD1 LYS 875 -1.534 4.267 -12.234 189 HE2 LYS 875 HE2 LYS 875 -0.923 3.163 -14.359 190 HE3 LYS 875 HE1 LYS 875 -0.920 1.603 -13.522 191 HZ1 LYS 875 HZ1 LYS 875 -3.267 1.989 -12.958 192 HZ2 LYS 875 HZ2 LYS 875 -3.057 1.943 -14.617 193 HZ3 LYS 875 HZ3 LYS 875 -3.255 3.418 -13.844 194 HA PRO 876 HA PRO 876 2.240 7.323 -7.009 195 HB2 PRO 876 HB2 PRO 876 2.110 9.750 -8.167 196 HB3 PRO 876 HB1 PRO 876 3.630 8.866 -8.053 197 HG2 PRO 876 HG2 PRO 876 1.772 9.176 -10.375 198 HG3 PRO 876 HG1 PRO 876 3.543 9.163 -10.354 199 HD2 PRO 876 HD2 PRO 876 2.033 6.981 -11.086 200 HD3 PRO 876 HD1 PRO 876 3.638 6.872 -10.373 201 H ASP 877 H ASP 877 0.770 8.694 -6.000 202 HA ASP 877 HA ASP 877 -1.953 8.283 -6.394 203 HB2 ASP 877 HB2 ASP 877 -1.228 8.968 -4.241 204 HB3 ASP 877 HB1 ASP 877 -0.475 10.426 -4.877 205 H ASP 878 H ASP 878 -3.402 9.103 -7.716 206 HA ASP 878 HA ASP 878 -2.690 11.372 -9.462 207 HB2 ASP 878 HB2 ASP 878 -4.917 9.320 -9.638 208 HB3 ASP 878 HB1 ASP 878 -4.735 10.662 -10.748 209 H GLY 879 H GLY 879 -3.674 11.465 -6.584 210 HA2 GLY 879 HA2 GLY 879 -5.071 12.942 -5.433 211 HA3 GLY 879 HA1 GLY 879 -5.859 13.351 -6.967 212 H SER 880 H SER 880 -5.190 10.313 -5.456 213 HA SER 880 HA SER 880 -7.952 9.551 -5.967 214 HG SER 880 HG SER 880 -4.661 8.633 -5.586 215 HB2 SER 880 HB2 SER 880 -6.859 7.246 -6.236 216 HB3 SER 880 HB1 SER 880 -6.607 8.430 -7.517 217 HA PRO 881 HA PRO 881 -8.071 8.253 -1.647 218 HB2 PRO 881 HB2 PRO 881 -9.912 6.114 -2.489 219 HB3 PRO 881 HB1 PRO 881 -10.223 7.474 -1.409 220 HG2 PRO 881 HG2 PRO 881 -11.303 7.315 -3.876 221 HG3 PRO 881 HG1 PRO 881 -10.873 8.860 -3.126 222 HD2 PRO 881 HD2 PRO 881 -9.413 7.295 -5.213 223 HD3 PRO 881 HD1 PRO 881 -9.643 9.052 -5.051 224 H MET 882 H MET 882 -6.532 7.005 -0.801 225 HA MET 882 HA MET 882 -5.906 4.506 -2.168 226 HB2 MET 882 HB2 MET 882 -3.954 6.393 -0.819 227 HB3 MET 882 HB1 MET 882 -3.544 4.829 -1.510 228 HG2 MET 882 HG2 MET 882 -4.170 5.613 -3.725 229 HG3 MET 882 HG1 MET 882 -4.664 7.160 -3.062 230 HE1 MET 882 HE1 MET 882 -1.469 4.864 -2.447 231 HE2 MET 882 HE2 MET 882 -0.308 5.690 -3.489 232 HE3 MET 882 HE3 MET 882 -1.711 4.889 -4.195 233 H ILE 883 H ILE 883 -4.997 2.895 -0.776 234 HA ILE 883 HA ILE 883 -6.004 3.145 1.942 235 HB ILE 883 HB ILE 883 -7.501 1.667 0.640 236 HG12 ILE 883 HG12 ILE 883 -5.764 -0.024 2.455 237 HG13 ILE 883 HG11 ILE 883 -6.970 1.123 3.029 238 HG21 ILE 883 HG21 ILE 883 -6.731 -0.416 -0.378 239 HG22 ILE 883 HG22 ILE 883 -5.065 0.034 -0.045 240 HG23 ILE 883 HG23 ILE 883 -6.027 0.996 -1.155 241 HD11 ILE 883 HD11 ILE 883 -7.503 -1.305 1.337 242 HD12 ILE 883 HD12 ILE 883 -8.713 -0.159 1.917 243 HD13 ILE 883 HD13 ILE 883 -7.813 -1.148 3.066 244 H GLY 884 H GLY 884 -4.643 2.502 3.529 245 HA2 GLY 884 HA2 GLY 884 -1.930 1.863 2.656 246 HA3 GLY 884 HA1 GLY 884 -2.399 2.479 4.241 247 H CYS 885 H CYS 885 -0.761 0.198 3.802 248 HA CYS 885 HA CYS 885 -2.447 -2.089 4.194 249 HB2 CYS 885 HB2 CYS 885 -0.332 -2.305 2.967 250 HB3 CYS 885 HB1 CYS 885 0.558 -1.793 4.390 251 H ASP 886 H ASP 886 -1.878 -3.524 6.008 252 HA ASP 886 HA ASP 886 -2.070 -2.036 8.531 253 HB2 ASP 886 HB2 ASP 886 -3.745 -3.852 7.996 254 HB3 ASP 886 HB1 ASP 886 -2.425 -5.011 8.042 255 H ASP 887 H ASP 887 0.002 -3.977 6.599 256 HA ASP 887 HA ASP 887 1.854 -4.390 8.833 257 HB2 ASP 887 HB2 ASP 887 1.307 -6.370 7.409 258 HB3 ASP 887 HB1 ASP 887 2.045 -5.535 6.045 259 H CYS 888 H CYS 888 1.759 -3.062 5.516 260 HA CYS 888 HA CYS 888 4.303 -1.844 6.167 261 HB2 CYS 888 HB2 CYS 888 4.562 -1.358 3.689 262 HB3 CYS 888 HB1 CYS 888 4.596 -3.051 4.129 263 H ASP 889 H ASP 889 4.718 0.275 5.157 264 HA ASP 889 HA ASP 889 2.800 2.139 6.326 265 HB2 ASP 889 HB2 ASP 889 5.114 2.381 6.962 266 HB3 ASP 889 HB1 ASP 889 5.622 2.417 5.281 267 H ASP 890 H ASP 890 3.619 0.913 3.334 268 HA ASP 890 HA ASP 890 3.385 3.214 1.718 269 HB2 ASP 890 HB2 ASP 890 3.368 0.282 1.055 270 HB3 ASP 890 HB1 ASP 890 3.238 1.538 -0.169 271 H TRP 891 H TRP 891 1.847 3.689 0.185 272 HA TRP 891 HA TRP 891 -0.868 2.969 0.997 273 HD1 TRP 891 HD TRP 891 1.458 6.222 1.842 274 HE1 TRP 891 HE1 TRP 891 0.548 7.190 4.061 275 HE3 TRP 891 HE3 TRP 891 -3.444 4.917 1.354 276 HZ2 TRP 891 HZ2 TRP 891 -1.920 7.362 5.413 277 HZ3 TRP 891 HZ3 TRP 891 -5.019 5.512 3.143 278 HH2 TRP 891 HH TRP 891 -4.260 6.712 5.139 279 HB2 TRP 891 HB2 TRP 891 0.200 5.435 -0.392 280 HB3 TRP 891 HB1 TRP 891 -1.514 5.067 -0.266 281 H TYR 892 H TYR 892 -2.176 2.032 -0.400 282 HA TYR 892 HA TYR 892 -1.147 1.505 -3.092 283 HD1 TYR 892 HD1 TYR 892 -1.005 0.044 0.417 284 HD2 TYR 892 HD2 TYR 892 -0.445 -1.726 -3.404 285 HE1 TYR 892 HE1 TYR 892 1.076 -0.948 1.206 286 HE2 TYR 892 HE2 TYR 892 1.662 -2.736 -2.616 287 HH TYR 892 HH TYR 892 2.627 -2.518 0.746 288 HB2 TYR 892 HB2 TYR 892 -2.895 -0.202 -1.286 289 HB3 TYR 892 HB1 TYR 892 -2.466 -0.618 -2.943 290 H HIS 893 H HIS 893 -2.619 1.572 -4.725 291 HA HIS 893 HA HIS 893 -4.771 3.503 -4.354 292 HD2 HIS 893 HD2 HIS 893 -4.145 5.819 -6.085 293 HE1 HIS 893 HE1 HIS 893 -0.587 4.814 -8.114 294 HE2 HIS 893 HE2 HIS 893 -2.134 6.650 -7.500 295 HB2 HIS 893 HB2 HIS 893 -4.014 1.951 -6.836 296 HB3 HIS 893 HB1 HIS 893 -5.271 3.166 -6.779 297 H TRP 894 H TRP 894 -6.942 3.150 -4.340 298 HA TRP 894 HA TRP 894 -8.016 0.758 -3.572 299 HD1 TRP 894 HD TRP 894 -7.722 2.192 -1.823 300 HE1 TRP 894 HE1 TRP 894 -8.846 3.253 0.251 301 HE3 TRP 894 HE3 TRP 894 -12.114 3.684 -3.948 302 HZ2 TRP 894 HZ2 TRP 894 -11.267 4.549 0.886 303 HZ3 TRP 894 HZ3 TRP 894 -13.781 4.821 -2.547 304 HH2 TRP 894 HH TRP 894 -13.358 5.243 -0.172 305 HB2 TRP 894 HB2 TRP 894 -9.251 3.163 -4.868 306 HB3 TRP 894 HB1 TRP 894 -10.233 1.751 -4.529 307 HA PRO 895 HA PRO 895 -9.361 -0.310 -8.166 308 HB2 PRO 895 HB2 PRO 895 -7.634 0.628 -10.096 309 HB3 PRO 895 HB1 PRO 895 -9.184 1.371 -9.686 310 HG2 PRO 895 HG2 PRO 895 -6.433 2.088 -8.736 311 HG3 PRO 895 HG1 PRO 895 -7.738 3.157 -9.288 312 HD2 PRO 895 HD2 PRO 895 -7.284 2.855 -6.685 313 HD3 PRO 895 HD1 PRO 895 -8.944 2.903 -7.304 314 H CYS 896 H CYS 896 -6.075 -0.082 -7.023 315 HA CYS 896 HA CYS 896 -5.061 -2.133 -8.768 316 HB2 CYS 896 HB2 CYS 896 -3.860 -0.815 -6.347 317 HB3 CYS 896 HB1 CYS 896 -2.986 -1.810 -7.506 318 H VAL 897 H VAL 897 -6.428 -1.928 -5.634 319 HA VAL 897 HA VAL 897 -5.705 -4.718 -5.131 320 HB VAL 897 HB VAL 897 -6.173 -4.147 -2.681 321 HG11 VAL 897 HG11 VAL 897 -3.929 -2.710 -4.136 322 HG12 VAL 897 HG12 VAL 897 -3.893 -4.394 -3.623 323 HG13 VAL 897 HG13 VAL 897 -3.928 -3.107 -2.419 324 HG21 VAL 897 HG21 VAL 897 -7.405 -2.083 -3.250 325 HG22 VAL 897 HG22 VAL 897 -5.888 -1.356 -3.768 326 HG23 VAL 897 HG23 VAL 897 -6.120 -1.778 -2.076 327 H GLY 898 H GLY 898 -8.257 -2.805 -6.003 328 HA2 GLY 898 HA2 GLY 898 -10.337 -3.642 -6.620 329 HA3 GLY 898 HA1 GLY 898 -10.015 -5.057 -5.639 330 H ILE 899 H ILE 899 -9.921 -1.670 -4.643 331 HA ILE 899 HA ILE 899 -11.857 -2.343 -2.571 332 HB ILE 899 HB ILE 899 -10.304 0.234 -2.991 333 HG12 ILE 899 HG12 ILE 899 -8.931 -1.704 -2.307 334 HG13 ILE 899 HG11 ILE 899 -8.940 -0.420 -1.098 335 HG21 ILE 899 HG21 ILE 899 -12.092 -0.587 -0.710 336 HG22 ILE 899 HG22 ILE 899 -12.408 0.689 -1.886 337 HG23 ILE 899 HG23 ILE 899 -11.078 0.855 -0.736 338 HD11 ILE 899 HD11 ILE 899 -10.569 -1.727 0.182 339 HD12 ILE 899 HD12 ILE 899 -9.042 -2.573 -0.061 340 HD13 ILE 899 HD13 ILE 899 -10.462 -3.024 -1.016 341 H MET 900 H MET 900 -13.851 -2.252 -3.203 342 HA MET 900 HA MET 900 -14.679 -0.394 -5.278 343 HB2 MET 900 HB2 MET 900 -16.836 -1.551 -5.242 344 HB3 MET 900 HB1 MET 900 -15.528 -2.712 -5.381 345 HG2 MET 900 HG2 MET 900 -15.741 -3.216 -2.984 346 HG3 MET 900 HG1 MET 900 -17.078 -2.072 -2.872 347 HE1 MET 900 HE1 MET 900 -19.430 -2.433 -4.110 348 HE2 MET 900 HE2 MET 900 -19.800 -3.836 -5.107 349 HE3 MET 900 HE3 MET 900 -18.617 -2.653 -5.662 350 H ALA 901 H ALA 901 -14.724 -0.692 -1.859 351 HA ALA 901 HA ALA 901 -15.725 1.933 -1.504 352 HB1 ALA 901 HB1 ALA 901 -17.885 0.753 -1.697 353 HB2 ALA 901 HB2 ALA 901 -17.613 1.282 -0.036 354 HB3 ALA 901 HB3 ALA 901 -17.362 -0.404 -0.475 355 H ALA 902 H ALA 902 -15.213 2.624 0.604 356 HA ALA 902 HA ALA 902 -12.935 1.686 1.746 357 HB1 ALA 902 HB1 ALA 902 -15.167 3.167 3.127 358 HB2 ALA 902 HB2 ALA 902 -13.875 3.890 2.167 359 HB3 ALA 902 HB3 ALA 902 -13.497 3.067 3.683 360 HA PRO 903 HA PRO 903 -14.550 -2.068 3.670 361 HB2 PRO 903 HB2 PRO 903 -12.139 -3.121 4.326 362 HB3 PRO 903 HB1 PRO 903 -12.769 -3.162 2.675 363 HG2 PRO 903 HG2 PRO 903 -10.815 -1.252 3.903 364 HG3 PRO 903 HG1 PRO 903 -10.727 -2.081 2.337 365 HD2 PRO 903 HD2 PRO 903 -11.556 0.489 2.522 366 HD3 PRO 903 HD1 PRO 903 -12.233 -0.630 1.343 367 HA PRO 904 HA PRO 904 -14.392 -1.001 8.016 368 HB2 PRO 904 HB2 PRO 904 -14.419 -3.873 8.650 369 HB3 PRO 904 HB1 PRO 904 -15.626 -2.638 9.025 370 HG2 PRO 904 HG2 PRO 904 -16.104 -4.522 7.203 371 HG3 PRO 904 HG1 PRO 904 -16.667 -2.846 7.004 372 HD2 PRO 904 HD2 PRO 904 -14.294 -4.192 5.758 373 HD3 PRO 904 HD1 PRO 904 -15.518 -3.130 5.015 374 H GLU 905 H GLU 905 -12.704 -0.552 9.217 375 HA GLU 905 HA GLU 905 -10.184 -1.858 8.758 376 HB2 GLU 905 HB2 GLU 905 -9.274 -0.294 10.435 377 HB3 GLU 905 HB1 GLU 905 -10.151 0.511 9.140 378 HG2 GLU 905 HG2 GLU 905 -11.995 0.961 10.552 379 HG3 GLU 905 HG1 GLU 905 -11.372 -0.109 11.809 380 H GLU 906 H GLU 906 -12.840 -2.600 10.732 381 HA GLU 906 HA GLU 906 -11.745 -3.745 12.912 382 HB2 GLU 906 HB2 GLU 906 -13.996 -2.994 12.548 383 HB3 GLU 906 HB1 GLU 906 -14.174 -4.073 11.177 384 HG2 GLU 906 HG2 GLU 906 -13.950 -5.887 12.552 385 HG3 GLU 906 HG1 GLU 906 -13.656 -4.771 13.929 386 H MET 907 H MET 907 -11.857 -4.515 9.546 387 HA MET 907 HA MET 907 -11.069 -7.301 9.948 388 HB2 MET 907 HB2 MET 907 -12.942 -6.963 8.416 389 HB3 MET 907 HB1 MET 907 -12.031 -5.761 7.519 390 HG2 MET 907 HG2 MET 907 -10.423 -7.532 6.870 391 HG3 MET 907 HG1 MET 907 -11.448 -8.712 7.683 392 HE1 MET 907 HE1 MET 907 -13.893 -9.360 6.873 393 HE2 MET 907 HE2 MET 907 -14.710 -8.596 5.511 394 HE3 MET 907 HE3 MET 907 -14.389 -7.670 6.974 395 H GLN 908 H GLN 908 -8.977 -7.825 9.436 396 HA GLN 908 HA GLN 908 -7.138 -5.741 8.881 397 HB2 GLN 908 HB2 GLN 908 -5.447 -7.552 8.709 398 HB3 GLN 908 HB1 GLN 908 -6.369 -7.576 10.203 399 HG2 GLN 908 HG2 GLN 908 -7.671 -9.435 9.444 400 HG3 GLN 908 HG1 GLN 908 -6.971 -9.321 7.835 401 HE21 GLN 908 HE21 GLN 908 -4.959 -8.886 10.644 402 HE22 GLN 908 HE22 GLN 908 -4.132 -10.382 10.527 403 H TRP 909 H TRP 909 -5.972 -5.355 7.068 404 HA TRP 909 HA TRP 909 -6.893 -6.625 4.609 405 HD1 TRP 909 HD TRP 909 -8.738 -5.025 2.394 406 HE1 TRP 909 HE1 TRP 909 -7.817 -4.360 0.078 407 HE3 TRP 909 HE3 TRP 909 -4.224 -3.137 3.839 408 HZ2 TRP 909 HZ2 TRP 909 -5.463 -3.199 -0.965 409 HZ3 TRP 909 HZ3 TRP 909 -2.692 -2.262 2.113 410 HH2 TRP 909 HH TRP 909 -3.307 -2.299 -0.232 411 HB2 TRP 909 HB2 TRP 909 -8.006 -4.430 4.858 412 HB3 TRP 909 HB1 TRP 909 -6.442 -3.664 5.089 413 H PHE 910 H PHE 910 -5.237 -7.231 3.328 414 HA PHE 910 HA PHE 910 -2.661 -5.954 3.718 415 HD1 PHE 910 HD2 PHE 910 -0.813 -6.631 5.429 416 HD2 PHE 910 HD1 PHE 910 -3.866 -9.584 5.672 417 HE1 PHE 910 HE2 PHE 910 -0.619 -6.635 7.882 418 HE2 PHE 910 HE1 PHE 910 -3.666 -9.581 8.119 419 HZ PHE 910 HZ PHE 910 -2.050 -8.111 9.223 420 HB2 PHE 910 HB2 PHE 910 -3.075 -8.957 3.593 421 HB3 PHE 910 HB1 PHE 910 -1.512 -8.167 3.451 422 H CYS 911 H CYS 911 -1.522 -5.617 1.947 423 HA CYS 911 HA CYS 911 -2.791 -5.522 -0.573 424 HB2 CYS 911 HB2 CYS 911 -0.494 -4.638 -1.093 425 HB3 CYS 911 HB1 CYS 911 -1.329 -3.817 0.227 426 HA PRO 912 HA PRO 912 -0.990 -9.175 -2.642 427 HB2 PRO 912 HB2 PRO 912 0.465 -7.897 -4.649 428 HB3 PRO 912 HB1 PRO 912 -1.243 -8.330 -4.760 429 HG2 PRO 912 HG2 PRO 912 -0.002 -5.702 -4.017 430 HG3 PRO 912 HG1 PRO 912 -1.415 -5.999 -5.041 431 HD2 PRO 912 HD2 PRO 912 -1.751 -5.173 -2.580 432 HD3 PRO 912 HD1 PRO 912 -2.786 -6.460 -3.225 433 H LYS 913 H LYS 913 0.877 -6.587 -1.379 434 HA LYS 913 HA LYS 913 3.472 -7.767 -1.750 435 HB2 LYS 913 HB2 LYS 913 2.467 -5.428 -0.158 436 HB3 LYS 913 HB1 LYS 913 4.151 -5.910 -0.193 437 HG2 LYS 913 HG2 LYS 913 2.579 -5.138 -2.646 438 HG3 LYS 913 HG1 LYS 913 3.518 -3.995 -1.690 439 HD2 LYS 913 HD2 LYS 913 4.577 -6.421 -3.137 440 HD3 LYS 913 HD1 LYS 913 4.797 -4.740 -3.617 441 HE2 LYS 913 HE2 LYS 913 5.906 -6.074 -1.131 442 HE3 LYS 913 HE1 LYS 913 6.807 -5.517 -2.530 443 HZ1 LYS 913 HZ1 LYS 913 6.221 -3.236 -1.982 444 HZ2 LYS 913 HZ2 LYS 913 6.948 -3.966 -0.667 445 HZ3 LYS 913 HZ3 LYS 913 5.308 -3.737 -0.658 446 H CYS 914 H CYS 914 1.386 -7.057 1.071 447 HA CYS 914 HA CYS 914 3.118 -8.696 2.654 448 HB2 CYS 914 HB2 CYS 914 0.761 -7.019 3.421 449 HB3 CYS 914 HB1 CYS 914 1.733 -7.944 4.568 450 H ALA 915 H ALA 915 0.051 -9.147 1.136 451 HA ALA 915 HA ALA 915 -0.640 -11.425 2.709 452 HB1 ALA 915 HB1 ALA 915 -2.302 -10.283 1.340 453 HB2 ALA 915 HB2 ALA 915 -2.158 -11.988 0.886 454 HB3 ALA 915 HB3 ALA 915 -1.407 -10.740 -0.118 455 H ASN 916 H ASN 916 1.520 -10.766 0.187 456 HA ASN 916 HA ASN 916 2.092 -13.355 -0.786 457 HB2 ASN 916 HB2 ASN 916 2.770 -11.262 -1.908 458 HB3 ASN 916 HB1 ASN 916 3.836 -10.890 -0.568 459 HD21 ASN 916 HD21 ASN 916 3.425 -14.036 -2.096 460 HD22 ASN 916 HD22 ASN 916 5.022 -14.115 -2.745 461 H LYS 917 H LYS 917 3.218 -11.420 1.906 462 HA LYS 917 HA LYS 917 5.338 -13.054 2.852 463 HB2 LYS 917 HB2 LYS 917 3.512 -11.158 4.344 464 HB3 LYS 917 HB1 LYS 917 4.994 -11.833 4.985 465 HG2 LYS 917 HG2 LYS 917 6.313 -10.587 3.420 466 HG3 LYS 917 HG1 LYS 917 4.866 -10.070 2.549 467 HD2 LYS 917 HD2 LYS 917 4.107 -8.837 4.527 468 HD3 LYS 917 HD1 LYS 917 5.520 -9.392 5.414 469 HE2 LYS 917 HE2 LYS 917 6.991 -8.125 4.042 470 HE3 LYS 917 HE1 LYS 917 5.707 -7.778 2.885 471 HZ1 LYS 917 HZ1 LYS 917 6.244 -5.906 4.431 472 HZ2 LYS 917 HZ2 LYS 917 5.566 -6.798 5.709 473 HZ3 LYS 917 HZ3 LYS 917 4.646 -6.383 4.396 474 H ILE 918 H ILE 918 1.955 -12.706 3.786 475 HA ILE 918 HA ILE 918 1.767 -14.701 5.777 476 HB ILE 918 HB ILE 918 -0.431 -13.984 3.820 477 HG12 ILE 918 HG12 ILE 918 0.466 -11.885 4.703 478 HG13 ILE 918 HG11 ILE 918 -1.135 -12.191 5.359 479 HG21 ILE 918 HG21 ILE 918 -0.946 -15.875 5.234 480 HG22 ILE 918 HG22 ILE 918 -1.950 -14.493 5.672 481 HG23 ILE 918 HG23 ILE 918 -0.570 -14.932 6.676 482 HD11 ILE 918 HD11 ILE 918 1.483 -12.618 6.769 483 HD12 ILE 918 HD12 ILE 918 -0.123 -12.929 7.449 484 HD13 ILE 918 HD13 ILE 918 0.355 -11.283 7.009 485 H LYS 919 H LYS 919 1.417 -14.720 2.320 486 HA LYS 919 HA LYS 919 1.285 -16.128 0.735 487 HB2 LYS 919 HB2 LYS 919 3.207 -17.308 1.739 488 HB3 LYS 919 HB1 LYS 919 2.078 -18.244 2.716 489 HG2 LYS 919 HG2 LYS 919 1.050 -19.060 0.661 490 HG3 LYS 919 HG1 LYS 919 2.298 -18.237 -0.277 491 HD2 LYS 919 HD2 LYS 919 2.926 -20.567 -0.081 492 HD3 LYS 919 HD1 LYS 919 4.013 -19.619 0.930 493 HE2 LYS 919 HE2 LYS 919 3.306 -21.655 2.078 494 HE3 LYS 919 HE1 LYS 919 2.694 -20.233 2.908 495 HZ1 LYS 919 HZ1 LYS 919 0.505 -20.635 1.946 496 HZ2 LYS 919 HZ2 LYS 919 1.050 -22.011 2.718 497 HZ3 LYS 919 HZ3 LYS 919 1.094 -21.932 1.046 498 H LYS 920 H LYS 920 -0.867 -15.596 0.719 499 HA LYS 920 HA LYS 920 -2.792 -17.363 1.905 500 HB2 LYS 920 HB2 LYS 920 -3.051 -15.364 -0.359 501 HB3 LYS 920 HB1 LYS 920 -4.402 -16.249 0.330 502 HG2 LYS 920 HG2 LYS 920 -4.031 -15.162 2.482 503 HG3 LYS 920 HG1 LYS 920 -2.654 -14.290 1.809 504 HD2 LYS 920 HD2 LYS 920 -4.099 -13.171 0.213 505 HD3 LYS 920 HD1 LYS 920 -5.487 -14.093 0.789 506 HE2 LYS 920 HE2 LYS 920 -3.860 -12.165 2.446 507 HE3 LYS 920 HE1 LYS 920 -5.403 -11.787 1.684 508 HZ1 LYS 920 HZ1 LYS 920 -5.702 -12.316 3.974 509 HZ2 LYS 920 HZ2 LYS 920 -4.957 -13.808 3.838 510 HZ3 LYS 920 HZ3 LYS 920 -6.430 -13.513 3.054 511 H ASP 921 H ASP 921 -1.186 -16.878 -1.094 512 HA ASP 921 HA ASP 921 -0.629 -18.133 -2.850 513 HB2 ASP 921 HB2 ASP 921 0.316 -19.606 -1.109 514 HB3 ASP 921 HB1 ASP 921 -1.207 -20.486 -1.048 515 H LYS 922 H LYS 922 -2.257 -17.440 -4.111 516 HA LYS 922 HA LYS 922 -4.730 -18.918 -4.131 517 HB2 LYS 922 HB2 LYS 922 -3.797 -16.715 -5.973 518 HB3 LYS 922 HB1 LYS 922 -5.419 -17.394 -5.923 519 HG2 LYS 922 HG2 LYS 922 -5.654 -16.589 -3.608 520 HG3 LYS 922 HG1 LYS 922 -4.058 -15.847 -3.732 521 HD2 LYS 922 HD2 LYS 922 -4.832 -14.489 -5.602 522 HD3 LYS 922 HD1 LYS 922 -6.425 -15.233 -5.485 523 HE2 LYS 922 HE2 LYS 922 -6.626 -14.345 -3.186 524 HE3 LYS 922 HE1 LYS 922 -5.068 -13.546 -3.392 525 HZ1 LYS 922 HZ1 LYS 922 -6.053 -12.282 -5.258 526 HZ2 LYS 922 HZ2 LYS 922 -6.833 -11.998 -3.807 527 HZ3 LYS 922 HZ3 LYS 922 -7.548 -12.993 -4.943 528 H LYS 923 H LYS 923 -3.843 -20.905 -4.592 529 HA LYS 923 HA LYS 923 -3.671 -21.459 -7.391 530 HB2 LYS 923 HB2 LYS 923 -1.343 -21.130 -7.159 531 HB3 LYS 923 HB1 LYS 923 -1.308 -21.876 -5.563 532 HG2 LYS 923 HG2 LYS 923 -1.772 -24.051 -6.548 533 HG3 LYS 923 HG1 LYS 923 -1.892 -23.324 -8.134 534 HD2 LYS 923 HD2 LYS 923 0.405 -22.932 -8.248 535 HD3 LYS 923 HD1 LYS 923 0.616 -23.133 -6.506 536 HE2 LYS 923 HE2 LYS 923 1.387 -25.095 -7.909 537 HE3 LYS 923 HE1 LYS 923 0.235 -25.479 -6.634 538 HZ1 LYS 923 HZ1 LYS 923 -1.526 -25.609 -8.249 539 HZ2 LYS 923 HZ2 LYS 923 -0.267 -26.576 -8.793 540 HZ3 LYS 923 HZ3 LYS 923 -0.514 -25.058 -9.481 541 H HIS 924 H HIS 924 -4.444 -23.399 -7.825 542 HA HIS 924 HA HIS 924 -4.783 -25.267 -5.615 543 HD1 HIS 924 HD1 HIS 924 -8.470 -26.111 -5.400 544 HD2 HIS 924 HD2 HIS 924 -6.861 -22.355 -6.138 545 HE1 HIS 924 HE1 HIS 924 -9.743 -24.538 -3.945 546 HE2 HIS 924 HE2 HIS 924 -8.504 -22.370 -4.167 547 HB2 HIS 924 HB2 HIS 924 -6.536 -24.741 -8.025 548 HB3 HIS 924 HB1 HIS 924 -6.649 -26.219 -7.076 Start of MODEL 7 1 H1 GLY 850 HT1 GLY 850 3.931 -1.583 0.148 2 H2 GLY 850 HT2 GLY 850 5.088 -0.417 0.660 3 H3 GLY 850 HT3 GLY 850 4.252 -1.360 1.792 4 HA2 GLY 850 HA1 GLY 850 5.327 -3.309 1.174 5 HA3 GLY 850 HA2 GLY 850 6.112 -2.483 -0.174 6 H SER 851 H SER 851 7.494 -3.858 1.958 7 HA SER 851 HA SER 851 9.185 -1.627 2.676 8 HG SER 851 HG SER 851 8.487 -4.052 5.702 9 HB2 SER 851 HB2 SER 851 9.361 -2.310 5.061 10 HB3 SER 851 HB1 SER 851 7.741 -1.762 4.637 11 H HIS 852 H HIS 852 9.132 -4.302 1.070 12 HA HIS 852 HA HIS 852 11.282 -5.764 2.323 13 HD2 HIS 852 HD2 HIS 852 10.305 -8.388 2.779 14 HE1 HIS 852 HE1 HIS 852 6.456 -8.681 1.041 15 HE2 HIS 852 HE2 HIS 852 8.116 -9.775 2.585 16 HB2 HIS 852 HB2 HIS 852 10.031 -6.098 -0.413 17 HB3 HIS 852 HB1 HIS 852 11.290 -7.149 0.212 18 H MET 853 H MET 853 11.309 -4.859 -1.063 19 HA MET 853 HA MET 853 13.846 -3.430 -0.604 20 HB2 MET 853 HB2 MET 853 13.097 -5.116 -3.003 21 HB3 MET 853 HB1 MET 853 14.549 -4.146 -2.870 22 HG2 MET 853 HG2 MET 853 15.334 -5.548 -1.051 23 HG3 MET 853 HG1 MET 853 13.857 -6.508 -1.142 24 HE1 MET 853 HE1 MET 853 16.784 -7.769 -1.287 25 HE2 MET 853 HE2 MET 853 16.572 -8.945 -2.581 26 HE3 MET 853 HE3 MET 853 15.305 -8.723 -1.373 27 H ALA 854 H ALA 854 11.110 -3.844 -2.599 28 HA ALA 854 HA ALA 854 11.500 -1.349 -3.974 29 HB1 ALA 854 HB1 ALA 854 10.617 -3.292 -5.167 30 HB2 ALA 854 HB2 ALA 854 9.488 -1.948 -5.258 31 HB3 ALA 854 HB3 ALA 854 9.188 -3.281 -4.146 32 H MET 855 H MET 855 11.459 0.012 -2.077 33 HA MET 855 HA MET 855 8.781 1.077 -1.716 34 HB2 MET 855 HB2 MET 855 9.092 1.375 0.661 35 HB3 MET 855 HB1 MET 855 9.057 -0.335 0.225 36 HG2 MET 855 HG2 MET 855 11.495 -0.424 0.480 37 HG3 MET 855 HG1 MET 855 11.512 1.296 0.873 38 HE1 MET 855 HE1 MET 855 12.803 -1.026 2.687 39 HE2 MET 855 HE2 MET 855 12.300 -0.515 4.299 40 HE3 MET 855 HE3 MET 855 12.876 0.678 3.138 41 H ALA 856 H ALA 856 11.223 1.701 -3.087 42 HA ALA 856 HA ALA 856 12.184 4.146 -1.784 43 HB1 ALA 856 HB1 ALA 856 13.821 4.293 -3.519 44 HB2 ALA 856 HB2 ALA 856 13.050 2.984 -4.420 45 HB3 ALA 856 HB3 ALA 856 13.832 2.648 -2.869 46 H TYR 857 H TYR 857 9.491 3.729 -3.053 47 HA TYR 857 HA TYR 857 9.609 5.588 -5.271 48 HD1 TYR 857 HD2 TYR 857 8.486 1.942 -3.942 49 HD2 TYR 857 HD1 TYR 857 8.466 3.996 -7.642 50 HE1 TYR 857 HE2 TYR 857 9.366 -0.051 -5.020 51 HE2 TYR 857 HE1 TYR 857 9.357 1.985 -8.773 52 HH TYR 857 HH TYR 857 10.658 -0.061 -8.142 53 HB2 TYR 857 HB2 TYR 857 7.238 4.005 -4.231 54 HB3 TYR 857 HB1 TYR 857 7.356 4.898 -5.751 55 H VAL 858 H VAL 858 10.201 7.226 -3.973 56 HA VAL 858 HA VAL 858 8.081 8.491 -2.384 57 HB VAL 858 HB VAL 858 11.033 8.315 -1.701 58 HG11 VAL 858 HG11 VAL 858 8.820 9.778 -0.234 59 HG12 VAL 858 HG12 VAL 858 10.144 10.527 -1.122 60 HG13 VAL 858 HG13 VAL 858 10.477 9.598 0.342 61 HG21 VAL 858 HG21 VAL 858 8.624 7.215 -0.241 62 HG22 VAL 858 HG22 VAL 858 10.287 7.159 0.348 63 HG23 VAL 858 HG23 VAL 858 9.840 6.283 -1.116 64 H ILE 859 H ILE 859 7.587 10.303 -3.327 65 HA ILE 859 HA ILE 859 9.681 11.955 -4.618 66 HB ILE 859 HB ILE 859 6.670 11.970 -5.251 67 HG12 ILE 859 HG12 ILE 859 8.905 10.769 -6.895 68 HG13 ILE 859 HG11 ILE 859 7.759 9.843 -5.931 69 HG21 ILE 859 HG21 ILE 859 7.765 14.102 -5.716 70 HG22 ILE 859 HG22 ILE 859 7.274 13.300 -7.206 71 HG23 ILE 859 HG23 ILE 859 8.966 13.276 -6.712 72 HD11 ILE 859 HD11 ILE 859 5.929 10.655 -7.340 73 HD12 ILE 859 HD12 ILE 859 7.168 9.842 -8.296 74 HD13 ILE 859 HD13 ILE 859 7.079 11.602 -8.285 75 H ARG 860 H ARG 860 9.151 14.409 -4.258 76 HA ARG 860 HA ARG 860 8.087 14.643 -1.563 77 HE ARG 860 HE ARG 860 13.216 15.046 -2.040 78 HB2 ARG 860 HB2 ARG 860 9.577 16.705 -3.183 79 HB3 ARG 860 HB1 ARG 860 9.140 16.832 -1.485 80 HG2 ARG 860 HG2 ARG 860 10.623 14.986 -0.955 81 HG3 ARG 860 HG1 ARG 860 11.033 14.810 -2.660 82 HD2 ARG 860 HD2 ARG 860 11.809 17.213 -2.585 83 HD3 ARG 860 HD1 ARG 860 11.638 17.115 -0.833 84 HH11 ARG 860 HH11 ARG 860 13.254 18.146 -0.333 85 HH12 ARG 860 HH12 ARG 860 14.934 18.184 -0.100 86 HH21 ARG 860 HH21 ARG 860 15.536 15.080 -1.728 87 HH22 ARG 860 HH22 ARG 860 16.284 16.375 -0.932 88 H ASP 861 H ASP 861 6.380 15.620 -1.147 89 HA ASP 861 HA ASP 861 4.515 16.542 -3.142 90 HB2 ASP 861 HB2 ASP 861 3.676 15.403 -1.143 91 HB3 ASP 861 HB1 ASP 861 4.472 16.611 -0.126 92 H GLU 862 H GLU 862 3.417 18.692 -2.536 93 HA GLU 862 HA GLU 862 5.265 20.776 -3.147 94 HB2 GLU 862 HB2 GLU 862 2.366 20.974 -2.366 95 HB3 GLU 862 HB1 GLU 862 3.318 22.213 -3.175 96 HG2 GLU 862 HG2 GLU 862 3.601 20.765 -5.099 97 HG3 GLU 862 HG1 GLU 862 2.686 19.498 -4.287 98 H TRP 863 H TRP 863 3.630 19.692 -0.228 99 HA TRP 863 HA TRP 863 4.502 21.944 1.366 100 HD1 TRP 863 HD TRP 863 4.863 19.158 4.468 101 HE1 TRP 863 HE1 TRP 863 4.608 20.425 6.680 102 HE3 TRP 863 HE3 TRP 863 1.747 22.881 2.890 103 HZ2 TRP 863 HZ2 TRP 863 3.242 22.710 7.642 104 HZ3 TRP 863 HZ3 TRP 863 1.011 24.570 4.519 105 HH2 TRP 863 HH TRP 863 1.745 24.480 6.849 106 HB2 TRP 863 HB2 TRP 863 2.444 20.641 1.906 107 HB3 TRP 863 HB1 TRP 863 3.435 19.217 2.186 108 H GLY 864 H GLY 864 5.934 19.203 0.086 109 HA2 GLY 864 HA2 GLY 864 8.156 18.573 0.302 110 HA3 GLY 864 HA1 GLY 864 8.265 19.396 1.848 111 H ASN 865 H ASN 865 5.531 17.500 1.291 112 HA ASN 865 HA ASN 865 6.278 15.554 3.299 113 HB2 ASN 865 HB2 ASN 865 3.784 15.773 1.581 114 HB3 ASN 865 HB1 ASN 865 4.008 14.555 2.811 115 HD21 ASN 865 HD21 ASN 865 1.949 16.487 2.616 116 HD22 ASN 865 HD22 ASN 865 2.019 17.478 4.017 117 H GLN 866 H GLN 866 5.556 13.205 2.635 118 HA GLN 866 HA GLN 866 7.153 12.577 0.299 119 HB2 GLN 866 HB2 GLN 866 6.153 10.910 2.594 120 HB3 GLN 866 HB1 GLN 866 6.991 10.237 1.199 121 HG2 GLN 866 HG2 GLN 866 8.961 11.466 1.695 122 HG3 GLN 866 HG1 GLN 866 8.131 12.382 2.947 123 HE21 GLN 866 HE21 GLN 866 10.510 10.683 3.052 124 HE22 GLN 866 HE22 GLN 866 10.196 9.485 4.247 125 H ILE 867 H ILE 867 6.302 11.951 -1.457 126 HA ILE 867 HA ILE 867 3.449 11.398 -1.668 127 HB ILE 867 HB ILE 867 5.635 11.726 -3.695 128 HG12 ILE 867 HG12 ILE 867 4.819 13.822 -2.703 129 HG13 ILE 867 HG11 ILE 867 4.447 13.725 -4.423 130 HG21 ILE 867 HG21 ILE 867 4.107 10.056 -4.586 131 HG22 ILE 867 HG22 ILE 867 3.911 11.565 -5.482 132 HG23 ILE 867 HG23 ILE 867 2.729 11.112 -4.256 133 HD11 ILE 867 HD11 ILE 867 2.561 14.632 -3.232 134 HD12 ILE 867 HD12 ILE 867 2.548 13.243 -2.148 135 HD13 ILE 867 HD13 ILE 867 2.178 13.021 -3.864 136 H TRP 868 H TRP 868 2.778 9.462 -1.614 137 HA TRP 868 HA TRP 868 4.651 7.272 -1.789 138 HD1 TRP 868 HD TRP 868 4.599 5.223 0.529 139 HE1 TRP 868 HE1 TRP 868 5.204 5.952 2.902 140 HE3 TRP 868 HE3 TRP 868 1.798 9.475 0.714 141 HZ2 TRP 868 HZ2 TRP 868 4.542 8.145 4.650 142 HZ3 TRP 868 HZ3 TRP 868 1.832 10.829 2.761 143 HH2 TRP 868 HH TRP 868 3.175 10.175 4.678 144 HB2 TRP 868 HB2 TRP 868 1.822 7.436 -0.809 145 HB3 TRP 868 HB1 TRP 868 2.619 5.894 -1.103 146 H ILE 869 H ILE 869 4.395 5.569 -3.059 147 HA ILE 869 HA ILE 869 2.671 5.880 -5.374 148 HB ILE 869 HB ILE 869 5.538 4.988 -5.167 149 HG12 ILE 869 HG12 ILE 869 4.217 7.135 -6.825 150 HG13 ILE 869 HG11 ILE 869 5.249 7.390 -5.425 151 HG21 ILE 869 HG21 ILE 869 5.492 4.371 -7.559 152 HG22 ILE 869 HG22 ILE 869 3.749 4.639 -7.570 153 HG23 ILE 869 HG23 ILE 869 4.437 3.355 -6.580 154 HD11 ILE 869 HD11 ILE 869 7.168 6.575 -6.711 155 HD12 ILE 869 HD12 ILE 869 6.345 7.888 -7.550 156 HD13 ILE 869 HD13 ILE 869 6.095 6.225 -8.067 157 H CYS 870 H CYS 870 1.565 4.150 -5.900 158 HA CYS 870 HA CYS 870 1.310 1.969 -4.065 159 HB2 CYS 870 HB2 CYS 870 -0.613 3.059 -5.207 160 HB3 CYS 870 HB1 CYS 870 0.075 2.655 -6.756 161 HA PRO 871 HA PRO 871 4.532 0.057 -6.661 162 HB2 PRO 871 HB2 PRO 871 5.317 -1.869 -4.936 163 HB3 PRO 871 HB1 PRO 871 5.851 -0.194 -4.791 164 HG2 PRO 871 HG2 PRO 871 3.812 -1.671 -3.216 165 HG3 PRO 871 HG1 PRO 871 4.903 -0.374 -2.711 166 HD2 PRO 871 HD2 PRO 871 2.211 -0.093 -3.344 167 HD3 PRO 871 HD1 PRO 871 3.385 1.234 -3.247 168 H GLY 872 H GLY 872 1.549 -0.804 -6.153 169 HA2 GLY 872 HA2 GLY 872 1.694 -3.556 -7.049 170 HA3 GLY 872 HA1 GLY 872 0.225 -2.609 -6.790 171 H CYS 873 H CYS 873 1.159 -0.319 -8.287 172 HA CYS 873 HA CYS 873 0.930 -1.380 -11.013 173 HB2 CYS 873 HB2 CYS 873 -0.066 0.883 -11.438 174 HB3 CYS 873 HB1 CYS 873 -1.009 -0.149 -10.358 175 H ASN 874 H ASN 874 2.514 0.796 -8.818 176 HA ASN 874 HA ASN 874 4.506 1.769 -8.746 177 HB2 ASN 874 HB2 ASN 874 4.863 1.045 -11.682 178 HB3 ASN 874 HB1 ASN 874 6.052 1.947 -10.752 179 HD21 ASN 874 HD21 ASN 874 4.614 -1.129 -11.326 180 HD22 ASN 874 HD22 ASN 874 5.715 -2.084 -10.409 181 H LYS 875 H LYS 875 1.907 2.802 -9.337 182 HA LYS 875 HA LYS 875 2.596 5.365 -10.610 183 HB2 LYS 875 HB2 LYS 875 -0.054 4.038 -10.086 184 HB3 LYS 875 HB1 LYS 875 0.158 5.657 -10.723 185 HG2 LYS 875 HG2 LYS 875 1.114 4.840 -12.735 186 HG3 LYS 875 HG1 LYS 875 1.236 3.206 -12.082 187 HD2 LYS 875 HD2 LYS 875 -0.670 3.499 -13.659 188 HD3 LYS 875 HD1 LYS 875 -1.165 2.982 -12.047 189 HE2 LYS 875 HE2 LYS 875 -2.654 4.714 -12.951 190 HE3 LYS 875 HE1 LYS 875 -1.825 5.270 -11.501 191 HZ1 LYS 875 HZ1 LYS 875 -0.273 6.479 -12.922 192 HZ2 LYS 875 HZ2 LYS 875 -1.845 6.961 -13.175 193 HZ3 LYS 875 HZ3 LYS 875 -1.089 5.944 -14.302 194 HA PRO 876 HA PRO 876 2.221 7.310 -6.570 195 HB2 PRO 876 HB2 PRO 876 2.102 9.852 -7.478 196 HB3 PRO 876 HB1 PRO 876 3.621 8.988 -7.347 197 HG2 PRO 876 HG2 PRO 876 1.948 9.586 -9.737 198 HG3 PRO 876 HG1 PRO 876 3.706 9.432 -9.609 199 HD2 PRO 876 HD2 PRO 876 2.039 7.480 -10.653 200 HD3 PRO 876 HD1 PRO 876 3.644 7.175 -9.980 201 H ASP 877 H ASP 877 0.867 8.803 -5.481 202 HA ASP 877 HA ASP 877 -1.867 8.546 -5.667 203 HB2 ASP 877 HB2 ASP 877 -0.910 9.387 -3.655 204 HB3 ASP 877 HB1 ASP 877 -0.131 10.715 -4.501 205 H ASP 878 H ASP 878 -3.140 9.078 -7.283 206 HA ASP 878 HA ASP 878 -2.533 11.469 -8.859 207 HB2 ASP 878 HB2 ASP 878 -3.828 10.450 -10.697 208 HB3 ASP 878 HB1 ASP 878 -2.506 9.415 -10.198 209 H GLY 879 H GLY 879 -4.060 11.098 -6.272 210 HA2 GLY 879 HA2 GLY 879 -5.715 12.490 -5.396 211 HA3 GLY 879 HA1 GLY 879 -6.167 12.930 -7.037 212 H SER 880 H SER 880 -5.785 9.648 -6.093 213 HA SER 880 HA SER 880 -8.596 9.175 -6.616 214 HG SER 880 HG SER 880 -5.222 7.600 -7.679 215 HB2 SER 880 HB2 SER 880 -7.608 6.842 -6.994 216 HB3 SER 880 HB1 SER 880 -7.181 8.102 -8.158 217 HA PRO 881 HA PRO 881 -8.925 7.564 -2.467 218 HB2 PRO 881 HB2 PRO 881 -10.450 5.320 -2.763 219 HB3 PRO 881 HB1 PRO 881 -11.123 6.949 -2.851 220 HG2 PRO 881 HG2 PRO 881 -10.455 5.056 -5.042 221 HG3 PRO 881 HG1 PRO 881 -11.784 6.215 -4.929 222 HD2 PRO 881 HD2 PRO 881 -9.484 6.600 -6.379 223 HD3 PRO 881 HD1 PRO 881 -10.504 7.917 -5.805 224 H MET 882 H MET 882 -7.384 6.588 -1.375 225 HA MET 882 HA MET 882 -6.198 4.168 -2.507 226 HB2 MET 882 HB2 MET 882 -4.684 6.364 -1.059 227 HB3 MET 882 HB1 MET 882 -3.995 4.877 -1.697 228 HG2 MET 882 HG2 MET 882 -4.668 5.607 -3.981 229 HG3 MET 882 HG1 MET 882 -5.205 7.133 -3.291 230 HE1 MET 882 HE1 MET 882 -0.823 5.717 -3.636 231 HE2 MET 882 HE2 MET 882 -2.191 4.963 -4.451 232 HE3 MET 882 HE3 MET 882 -2.028 4.827 -2.702 233 H ILE 883 H ILE 883 -5.366 2.704 -1.003 234 HA ILE 883 HA ILE 883 -6.630 2.904 1.632 235 HB ILE 883 HB ILE 883 -7.785 1.224 0.153 236 HG12 ILE 883 HG12 ILE 883 -6.182 -0.217 2.279 237 HG13 ILE 883 HG11 ILE 883 -7.539 0.840 2.645 238 HG21 ILE 883 HG21 ILE 883 -5.120 -0.102 -0.087 239 HG22 ILE 883 HG22 ILE 883 -6.044 0.687 -1.366 240 HG23 ILE 883 HG23 ILE 883 -6.661 -0.774 -0.608 241 HD11 ILE 883 HD11 ILE 883 -7.654 -1.671 0.984 242 HD12 ILE 883 HD12 ILE 883 -9.018 -0.615 1.361 243 HD13 ILE 883 HD13 ILE 883 -8.199 -1.497 2.651 244 H GLY 884 H GLY 884 -5.423 2.040 3.376 245 HA2 GLY 884 HA2 GLY 884 -2.574 1.707 2.775 246 HA3 GLY 884 HA1 GLY 884 -3.222 2.337 4.281 247 H CYS 885 H CYS 885 -1.400 0.326 4.104 248 HA CYS 885 HA CYS 885 -2.664 -2.271 4.562 249 HB2 CYS 885 HB2 CYS 885 -0.592 -2.055 3.079 250 HB3 CYS 885 HB1 CYS 885 0.310 -1.457 4.420 251 H ASP 886 H ASP 886 -1.089 -3.282 6.326 252 HA ASP 886 HA ASP 886 -1.289 -1.604 8.770 253 HB2 ASP 886 HB2 ASP 886 -2.957 -3.314 8.979 254 HB3 ASP 886 HB1 ASP 886 -1.851 -4.557 8.420 255 H ASP 887 H ASP 887 0.653 -3.555 6.760 256 HA ASP 887 HA ASP 887 2.456 -4.161 8.992 257 HB2 ASP 887 HB2 ASP 887 1.413 -5.909 7.436 258 HB3 ASP 887 HB1 ASP 887 2.670 -5.420 6.310 259 H CYS 888 H CYS 888 2.393 -2.297 6.045 260 HA CYS 888 HA CYS 888 5.282 -1.986 6.348 261 HB2 CYS 888 HB2 CYS 888 5.418 -1.695 3.852 262 HB3 CYS 888 HB1 CYS 888 4.929 -3.280 4.391 263 H ASP 889 H ASP 889 4.937 -0.058 4.043 264 HA ASP 889 HA ASP 889 4.092 2.388 5.447 265 HB2 ASP 889 HB2 ASP 889 6.671 2.128 5.541 266 HB3 ASP 889 HB1 ASP 889 6.642 2.233 3.783 267 H ASP 890 H ASP 890 2.384 2.423 4.245 268 HA ASP 890 HA ASP 890 2.612 1.762 1.392 269 HB2 ASP 890 HB2 ASP 890 0.474 0.617 1.873 270 HB3 ASP 890 HB1 ASP 890 1.942 -0.092 2.576 271 H TRP 891 H TRP 891 1.200 2.649 0.030 272 HA TRP 891 HA TRP 891 -1.419 3.358 0.767 273 HD1 TRP 891 HD TRP 891 1.121 6.682 1.548 274 HE1 TRP 891 HE1 TRP 891 -0.037 7.805 3.580 275 HE3 TRP 891 HE3 TRP 891 -3.597 4.942 0.801 276 HZ2 TRP 891 HZ2 TRP 891 -2.647 7.902 4.692 277 HZ3 TRP 891 HZ3 TRP 891 -5.361 5.578 2.378 278 HH2 TRP 891 HH TRP 891 -4.886 7.026 4.283 279 HB2 TRP 891 HB2 TRP 891 0.415 5.438 -0.442 280 HB3 TRP 891 HB1 TRP 891 -1.304 5.430 -0.813 281 H TYR 892 H TYR 892 -2.528 2.207 -0.595 282 HA TYR 892 HA TYR 892 -1.392 1.774 -3.273 283 HD1 TYR 892 HD1 TYR 892 -1.065 0.064 0.087 284 HD2 TYR 892 HD2 TYR 892 -0.604 -1.407 -3.866 285 HE1 TYR 892 HE1 TYR 892 1.015 -1.031 0.753 286 HE2 TYR 892 HE2 TYR 892 1.490 -2.521 -3.219 287 HH TYR 892 HH TYR 892 2.217 -3.119 -0.133 288 HB2 TYR 892 HB2 TYR 892 -3.001 -0.125 -1.550 289 HB3 TYR 892 HB1 TYR 892 -2.628 -0.406 -3.246 290 H HIS 893 H HIS 893 -2.855 1.704 -4.922 291 HA HIS 893 HA HIS 893 -5.073 3.540 -4.539 292 HD2 HIS 893 HD2 HIS 893 -4.617 5.885 -6.377 293 HE1 HIS 893 HE1 HIS 893 -0.818 5.100 -8.014 294 HE2 HIS 893 HE2 HIS 893 -2.668 6.764 -7.762 295 HB2 HIS 893 HB2 HIS 893 -4.199 2.052 -7.012 296 HB3 HIS 893 HB1 HIS 893 -5.509 3.212 -6.972 297 H TRP 894 H TRP 894 -7.225 3.118 -4.513 298 HA TRP 894 HA TRP 894 -8.186 0.627 -3.871 299 HD1 TRP 894 HD TRP 894 -7.844 1.900 -2.062 300 HE1 TRP 894 HE1 TRP 894 -8.937 2.472 0.207 301 HE3 TRP 894 HE3 TRP 894 -12.523 3.167 -3.675 302 HZ2 TRP 894 HZ2 TRP 894 -11.399 3.271 1.183 303 HZ3 TRP 894 HZ3 TRP 894 -14.196 3.836 -2.000 304 HH2 TRP 894 HH TRP 894 -13.636 3.897 0.388 305 HB2 TRP 894 HB2 TRP 894 -9.522 3.130 -4.816 306 HB3 TRP 894 HB1 TRP 894 -10.476 1.655 -4.704 307 HA PRO 895 HA PRO 895 -9.537 -0.213 -8.442 308 HB2 PRO 895 HB2 PRO 895 -8.154 1.073 -10.407 309 HB3 PRO 895 HB1 PRO 895 -9.677 1.675 -9.740 310 HG2 PRO 895 HG2 PRO 895 -6.872 2.452 -9.017 311 HG3 PRO 895 HG1 PRO 895 -8.257 3.503 -9.365 312 HD2 PRO 895 HD2 PRO 895 -7.555 2.999 -6.845 313 HD3 PRO 895 HD1 PRO 895 -9.265 3.057 -7.309 314 H CYS 896 H CYS 896 -6.374 0.091 -7.205 315 HA CYS 896 HA CYS 896 -5.222 -1.687 -9.172 316 HB2 CYS 896 HB2 CYS 896 -4.144 -0.497 -6.642 317 HB3 CYS 896 HB1 CYS 896 -3.192 -1.520 -7.710 318 H VAL 897 H VAL 897 -6.361 -1.779 -5.890 319 HA VAL 897 HA VAL 897 -5.632 -4.602 -5.800 320 HB VAL 897 HB VAL 897 -5.824 -4.412 -3.295 321 HG11 VAL 897 HG11 VAL 897 -3.891 -2.518 -4.635 322 HG12 VAL 897 HG12 VAL 897 -3.655 -4.252 -4.417 323 HG13 VAL 897 HG13 VAL 897 -3.715 -3.184 -3.014 324 HG21 VAL 897 HG21 VAL 897 -5.717 -2.080 -2.384 325 HG22 VAL 897 HG22 VAL 897 -7.258 -2.580 -3.048 326 HG23 VAL 897 HG23 VAL 897 -6.205 -1.508 -3.989 327 H GLY 898 H GLY 898 -8.194 -2.659 -6.328 328 HA2 GLY 898 HA2 GLY 898 -10.252 -3.469 -7.056 329 HA3 GLY 898 HA1 GLY 898 -9.907 -4.969 -6.205 330 H ILE 899 H ILE 899 -10.145 -1.577 -5.174 331 HA ILE 899 HA ILE 899 -12.062 -2.474 -3.109 332 HB ILE 899 HB ILE 899 -10.444 0.075 -3.079 333 HG12 ILE 899 HG12 ILE 899 -8.980 -1.918 -3.059 334 HG13 ILE 899 HG11 ILE 899 -8.816 -0.917 -1.616 335 HG21 ILE 899 HG21 ILE 899 -10.998 0.069 -0.682 336 HG22 ILE 899 HG22 ILE 899 -11.944 -1.399 -0.943 337 HG23 ILE 899 HG23 ILE 899 -12.429 0.104 -1.717 338 HD11 ILE 899 HD11 ILE 899 -10.278 -3.545 -1.864 339 HD12 ILE 899 HD12 ILE 899 -10.194 -2.524 -0.414 340 HD13 ILE 899 HD13 ILE 899 -8.725 -3.244 -1.066 341 H MET 900 H MET 900 -14.043 -1.520 -3.192 342 HA MET 900 HA MET 900 -14.318 0.888 -4.845 343 HB2 MET 900 HB2 MET 900 -16.617 0.213 -5.416 344 HB3 MET 900 HB1 MET 900 -15.441 -0.976 -5.941 345 HG2 MET 900 HG2 MET 900 -16.015 -2.412 -4.082 346 HG3 MET 900 HG1 MET 900 -17.137 -1.200 -3.465 347 HE1 MET 900 HE1 MET 900 -16.540 -2.178 -7.257 348 HE2 MET 900 HE2 MET 900 -17.744 -3.446 -7.464 349 HE3 MET 900 HE3 MET 900 -16.359 -3.712 -6.405 350 H ALA 901 H ALA 901 -14.690 -0.500 -1.780 351 HA ALA 901 HA ALA 901 -15.473 1.977 -0.615 352 HB1 ALA 901 HB1 ALA 901 -17.715 1.076 -1.155 353 HB2 ALA 901 HB2 ALA 901 -17.418 1.055 0.590 354 HB3 ALA 901 HB3 ALA 901 -17.288 -0.434 -0.337 355 H ALA 902 H ALA 902 -14.593 2.035 1.412 356 HA ALA 902 HA ALA 902 -12.481 0.608 2.219 357 HB1 ALA 902 HB1 ALA 902 -13.227 2.718 3.225 358 HB2 ALA 902 HB2 ALA 902 -12.750 1.530 4.439 359 HB3 ALA 902 HB3 ALA 902 -14.458 1.838 4.129 360 HA PRO 903 HA PRO 903 -14.448 -3.221 3.585 361 HB2 PRO 903 HB2 PRO 903 -13.211 -4.856 2.057 362 HB3 PRO 903 HB1 PRO 903 -14.314 -3.642 1.389 363 HG2 PRO 903 HG2 PRO 903 -11.299 -3.649 1.423 364 HG3 PRO 903 HG1 PRO 903 -12.393 -3.123 0.129 365 HD2 PRO 903 HD2 PRO 903 -11.238 -1.255 2.045 366 HD3 PRO 903 HD1 PRO 903 -12.574 -1.059 0.963 367 HA PRO 904 HA PRO 904 -11.089 -5.429 5.741 368 HB2 PRO 904 HB2 PRO 904 -12.722 -6.458 7.648 369 HB3 PRO 904 HB1 PRO 904 -11.941 -4.895 7.830 370 HG2 PRO 904 HG2 PRO 904 -14.783 -5.425 7.492 371 HG3 PRO 904 HG1 PRO 904 -13.983 -3.880 7.789 372 HD2 PRO 904 HD2 PRO 904 -14.949 -4.988 5.211 373 HD3 PRO 904 HD1 PRO 904 -14.529 -3.324 5.632 374 H GLU 905 H GLU 905 -10.863 -7.821 5.738 375 HA GLU 905 HA GLU 905 -12.985 -9.078 4.209 376 HB2 GLU 905 HB2 GLU 905 -11.538 -11.077 4.030 377 HB3 GLU 905 HB1 GLU 905 -10.719 -9.627 3.487 378 HG2 GLU 905 HG2 GLU 905 -9.486 -9.530 5.585 379 HG3 GLU 905 HG1 GLU 905 -10.340 -10.962 6.153 380 H GLU 906 H GLU 906 -11.834 -8.899 7.335 381 HA GLU 906 HA GLU 906 -13.659 -9.479 9.025 382 HB2 GLU 906 HB2 GLU 906 -13.591 -11.838 9.581 383 HB3 GLU 906 HB1 GLU 906 -14.035 -11.632 7.873 384 HG2 GLU 906 HG2 GLU 906 -11.873 -12.324 7.145 385 HG3 GLU 906 HG1 GLU 906 -11.252 -12.328 8.792 386 H MET 907 H MET 907 -10.708 -9.821 7.687 387 HA MET 907 HA MET 907 -9.166 -9.802 10.177 388 HB2 MET 907 HB2 MET 907 -8.822 -11.849 8.845 389 HB3 MET 907 HB1 MET 907 -8.536 -10.891 7.411 390 HG2 MET 907 HG2 MET 907 -6.451 -10.053 8.415 391 HG3 MET 907 HG1 MET 907 -6.757 -11.055 9.833 392 HE1 MET 907 HE1 MET 907 -4.269 -11.949 9.432 393 HE2 MET 907 HE2 MET 907 -4.069 -11.106 7.887 394 HE3 MET 907 HE3 MET 907 -3.759 -12.830 7.995 395 H GLN 908 H GLN 908 -7.123 -8.535 9.853 396 HA GLN 908 HA GLN 908 -7.443 -5.915 9.011 397 HB2 GLN 908 HB2 GLN 908 -4.832 -7.429 9.107 398 HB3 GLN 908 HB1 GLN 908 -5.067 -5.705 9.316 399 HG2 GLN 908 HG2 GLN 908 -6.186 -6.088 11.431 400 HG3 GLN 908 HG1 GLN 908 -6.058 -7.830 11.201 401 HE21 GLN 908 HE21 GLN 908 -4.350 -4.926 11.983 402 HE22 GLN 908 HE22 GLN 908 -2.914 -5.693 12.537 403 H TRP 909 H TRP 909 -6.218 -4.871 7.259 404 HA TRP 909 HA TRP 909 -6.458 -6.512 4.841 405 HD1 TRP 909 HD TRP 909 -8.481 -5.534 2.470 406 HE1 TRP 909 HE1 TRP 909 -7.581 -5.016 0.072 407 HE3 TRP 909 HE3 TRP 909 -4.375 -2.748 3.672 408 HZ2 TRP 909 HZ2 TRP 909 -5.466 -3.640 -1.094 409 HZ3 TRP 909 HZ3 TRP 909 -2.963 -1.868 1.862 410 HH2 TRP 909 HH TRP 909 -3.497 -2.305 -0.474 411 HB2 TRP 909 HB2 TRP 909 -7.923 -4.496 4.872 412 HB3 TRP 909 HB1 TRP 909 -6.492 -3.479 5.011 413 H PHE 910 H PHE 910 -4.767 -6.901 3.644 414 HA PHE 910 HA PHE 910 -2.308 -5.409 4.143 415 HD1 PHE 910 HD1 PHE 910 -0.493 -6.389 6.065 416 HD2 PHE 910 HD2 PHE 910 -3.810 -8.988 5.608 417 HE1 PHE 910 HE1 PHE 910 -0.696 -6.554 8.513 418 HE2 PHE 910 HE2 PHE 910 -4.020 -9.161 8.046 419 HZ PHE 910 HZ PHE 910 -2.493 -7.938 9.493 420 HB2 PHE 910 HB2 PHE 910 -2.524 -8.409 3.761 421 HB3 PHE 910 HB1 PHE 910 -1.021 -7.504 3.926 422 H CYS 911 H CYS 911 -1.191 -4.944 2.402 423 HA CYS 911 HA CYS 911 -2.457 -4.812 -0.093 424 HB2 CYS 911 HB2 CYS 911 -0.298 -3.882 -0.786 425 HB3 CYS 911 HB1 CYS 911 -0.854 -3.204 0.737 426 HA PRO 912 HA PRO 912 -1.224 -8.441 -2.470 427 HB2 PRO 912 HB2 PRO 912 0.516 -7.136 -4.297 428 HB3 PRO 912 HB1 PRO 912 -1.193 -7.506 -4.547 429 HG2 PRO 912 HG2 PRO 912 0.096 -4.980 -3.617 430 HG3 PRO 912 HG1 PRO 912 -1.345 -5.175 -4.626 431 HD2 PRO 912 HD2 PRO 912 -1.619 -4.469 -2.125 432 HD3 PRO 912 HD1 PRO 912 -2.691 -5.704 -2.795 433 H LYS 913 H LYS 913 1.199 -6.280 -1.182 434 HA LYS 913 HA LYS 913 3.358 -8.145 -1.696 435 HB2 LYS 913 HB2 LYS 913 3.442 -5.450 -0.313 436 HB3 LYS 913 HB1 LYS 913 4.843 -6.383 -0.840 437 HG2 LYS 913 HG2 LYS 913 2.730 -5.110 -2.567 438 HG3 LYS 913 HG1 LYS 913 4.382 -4.548 -2.401 439 HD2 LYS 913 HD2 LYS 913 5.186 -6.633 -3.439 440 HD3 LYS 913 HD1 LYS 913 3.525 -7.224 -3.543 441 HE2 LYS 913 HE2 LYS 913 4.042 -6.393 -5.688 442 HE3 LYS 913 HE1 LYS 913 3.019 -5.190 -4.900 443 HZ1 LYS 913 HZ1 LYS 913 4.766 -4.028 -5.961 444 HZ2 LYS 913 HZ2 LYS 913 5.914 -5.070 -5.414 445 HZ3 LYS 913 HZ3 LYS 913 5.195 -4.003 -4.320 446 H CYS 914 H CYS 914 1.587 -6.815 1.093 447 HA CYS 914 HA CYS 914 3.049 -8.567 2.842 448 HB2 CYS 914 HB2 CYS 914 0.859 -6.580 3.389 449 HB3 CYS 914 HB1 CYS 914 1.606 -7.569 4.642 450 H ALA 915 H ALA 915 0.142 -8.732 1.083 451 HA ALA 915 HA ALA 915 -1.216 -10.765 2.513 452 HB1 ALA 915 HB1 ALA 915 -2.284 -11.258 0.358 453 HB2 ALA 915 HB2 ALA 915 -1.047 -10.272 -0.433 454 HB3 ALA 915 HB3 ALA 915 -2.213 -9.510 0.665 455 H ASN 916 H ASN 916 1.358 -10.704 0.258 456 HA ASN 916 HA ASN 916 1.715 -13.437 -0.215 457 HB2 ASN 916 HB2 ASN 916 2.909 -12.254 -1.716 458 HB3 ASN 916 HB1 ASN 916 3.209 -10.933 -0.608 459 HD21 ASN 916 HD21 ASN 916 4.973 -10.900 0.503 460 HD22 ASN 916 HD22 ASN 916 6.349 -11.956 0.327 461 H LYS 917 H LYS 917 2.613 -11.409 2.411 462 HA LYS 917 HA LYS 917 4.441 -13.191 3.729 463 HB2 LYS 917 HB2 LYS 917 2.765 -10.963 4.885 464 HB3 LYS 917 HB1 LYS 917 4.069 -11.791 5.717 465 HG2 LYS 917 HG2 LYS 917 5.690 -10.882 4.233 466 HG3 LYS 917 HG1 LYS 917 4.434 -10.234 3.176 467 HD2 LYS 917 HD2 LYS 917 3.667 -8.777 4.987 468 HD3 LYS 917 HD1 LYS 917 4.928 -9.427 6.034 469 HE2 LYS 917 HE2 LYS 917 6.642 -8.520 4.637 470 HE3 LYS 917 HE1 LYS 917 5.465 -8.064 3.414 471 HZ1 LYS 917 HZ1 LYS 917 5.386 -6.932 6.161 472 HZ2 LYS 917 HZ2 LYS 917 4.557 -6.444 4.778 473 HZ3 LYS 917 HZ3 LYS 917 6.217 -6.215 4.866 474 H ILE 918 H ILE 918 1.000 -12.661 3.834 475 HA ILE 918 HA ILE 918 0.384 -14.382 5.985 476 HB ILE 918 HB ILE 918 -1.305 -13.728 3.546 477 HG12 ILE 918 HG12 ILE 918 -1.273 -12.399 6.267 478 HG13 ILE 918 HG11 ILE 918 -0.577 -11.717 4.800 479 HG21 ILE 918 HG21 ILE 918 -2.109 -14.809 6.250 480 HG22 ILE 918 HG22 ILE 918 -2.137 -15.681 4.715 481 HG23 ILE 918 HG23 ILE 918 -3.227 -14.316 4.976 482 HD11 ILE 918 HD11 ILE 918 -2.806 -11.649 3.787 483 HD12 ILE 918 HD12 ILE 918 -2.732 -10.734 5.297 484 HD13 ILE 918 HD13 ILE 918 -3.488 -12.326 5.268 485 H LYS 919 H LYS 919 0.758 -14.832 2.531 486 HA LYS 919 HA LYS 919 0.128 -17.586 2.440 487 HB2 LYS 919 HB2 LYS 919 1.872 -15.937 0.623 488 HB3 LYS 919 HB1 LYS 919 1.309 -17.573 0.288 489 HG2 LYS 919 HG2 LYS 919 -1.017 -16.711 0.392 490 HG3 LYS 919 HG1 LYS 919 -0.352 -15.092 0.560 491 HD2 LYS 919 HD2 LYS 919 0.675 -15.213 -1.596 492 HD3 LYS 919 HD1 LYS 919 0.276 -16.924 -1.748 493 HE2 LYS 919 HE2 LYS 919 -1.707 -14.656 -1.592 494 HE3 LYS 919 HE1 LYS 919 -1.261 -15.536 -3.052 495 HZ1 LYS 919 HZ1 LYS 919 -2.135 -17.577 -1.991 496 HZ2 LYS 919 HZ2 LYS 919 -3.313 -16.403 -2.175 497 HZ3 LYS 919 HZ3 LYS 919 -2.639 -16.671 -0.665 498 H LYS 920 H LYS 920 3.236 -16.297 1.850 499 HA LYS 920 HA LYS 920 4.567 -17.456 3.957 500 HB2 LYS 920 HB2 LYS 920 5.902 -18.949 2.608 501 HB3 LYS 920 HB1 LYS 920 4.282 -19.597 2.960 502 HG2 LYS 920 HG2 LYS 920 3.677 -18.927 0.613 503 HG3 LYS 920 HG1 LYS 920 5.360 -18.451 0.369 504 HD2 LYS 920 HD2 LYS 920 6.008 -20.791 0.969 505 HD3 LYS 920 HD1 LYS 920 4.296 -21.196 0.963 506 HE2 LYS 920 HE2 LYS 920 5.339 -21.777 -1.159 507 HE3 LYS 920 HE1 LYS 920 4.117 -20.527 -1.371 508 HZ1 LYS 920 HZ1 LYS 920 6.157 -20.081 -2.625 509 HZ2 LYS 920 HZ2 LYS 920 7.044 -20.017 -1.198 510 HZ3 LYS 920 HZ3 LYS 920 5.851 -18.870 -1.509 511 H ASP 921 H ASP 921 5.866 -15.735 4.194 512 HA ASP 921 HA ASP 921 7.518 -15.033 1.875 513 HB2 ASP 921 HB2 ASP 921 5.771 -13.301 2.296 514 HB3 ASP 921 HB1 ASP 921 6.449 -13.056 3.910 515 H LYS 922 H LYS 922 8.003 -16.880 3.829 516 HA LYS 922 HA LYS 922 9.885 -15.813 5.727 517 HB2 LYS 922 HB2 LYS 922 8.623 -17.867 6.218 518 HB3 LYS 922 HB1 LYS 922 9.304 -18.631 4.792 519 HG2 LYS 922 HG2 LYS 922 11.551 -18.425 5.830 520 HG3 LYS 922 HG1 LYS 922 10.769 -17.830 7.297 521 HD2 LYS 922 HD2 LYS 922 9.505 -19.898 7.476 522 HD3 LYS 922 HD1 LYS 922 10.227 -20.485 5.979 523 HE2 LYS 922 HE2 LYS 922 12.449 -20.356 7.045 524 HE3 LYS 922 HE1 LYS 922 11.679 -19.864 8.546 525 HZ1 LYS 922 HZ1 LYS 922 11.209 -22.426 7.136 526 HZ2 LYS 922 HZ2 LYS 922 10.494 -21.988 8.592 527 HZ3 LYS 922 HZ3 LYS 922 12.139 -22.258 8.518 528 H LYS 923 H LYS 923 11.630 -14.832 4.702 529 HA LYS 923 HA LYS 923 13.377 -16.530 3.180 530 HB2 LYS 923 HB2 LYS 923 13.333 -15.443 1.104 531 HB3 LYS 923 HB1 LYS 923 11.635 -15.603 1.505 532 HG2 LYS 923 HG2 LYS 923 13.319 -13.118 1.780 533 HG3 LYS 923 HG1 LYS 923 12.149 -13.412 0.491 534 HD2 LYS 923 HD2 LYS 923 10.385 -13.485 2.282 535 HD3 LYS 923 HD1 LYS 923 11.630 -13.033 3.442 536 HE2 LYS 923 HE2 LYS 923 10.478 -11.044 2.832 537 HE3 LYS 923 HE1 LYS 923 12.051 -10.994 2.037 538 HZ1 LYS 923 HZ1 LYS 923 10.950 -11.776 -0.013 539 HZ2 LYS 923 HZ2 LYS 923 10.285 -10.340 0.519 540 HZ3 LYS 923 HZ3 LYS 923 9.472 -11.779 0.807 541 H HIS 924 H HIS 924 15.278 -15.259 2.471 542 HA HIS 924 HA HIS 924 15.755 -12.668 3.119 543 HD1 HIS 924 HD1 HIS 924 18.583 -15.569 4.403 544 HD2 HIS 924 HD2 HIS 924 15.455 -15.149 7.069 545 HE1 HIS 924 HE1 HIS 924 18.660 -17.646 5.858 546 HE2 HIS 924 HE2 HIS 924 16.923 -17.211 7.620 547 HB2 HIS 924 HB2 HIS 924 17.592 -13.004 4.896 548 HB3 HIS 924 HB1 HIS 924 15.917 -13.074 5.419 Start of MODEL 8 1 H1 GLY 850 HT1 GLY 850 19.082 0.756 4.830 2 H2 GLY 850 HT2 GLY 850 18.542 2.216 5.479 3 H3 GLY 850 HT3 GLY 850 19.303 2.192 3.975 4 HA2 GLY 850 HA1 GLY 850 16.907 2.434 3.726 5 HA3 GLY 850 HA2 GLY 850 17.493 0.927 3.035 6 H SER 851 H SER 851 14.861 1.905 4.392 7 HA SER 851 HA SER 851 14.630 0.159 6.631 8 HG SER 851 HG SER 851 12.083 2.934 5.133 9 HB2 SER 851 HB2 SER 851 12.218 1.074 6.409 10 HB3 SER 851 HB1 SER 851 13.504 2.207 6.839 11 H HIS 852 H HIS 852 12.408 -1.194 6.561 12 HA HIS 852 HA HIS 852 12.752 -3.153 4.486 13 HD2 HIS 852 HD2 HIS 852 13.023 -2.757 8.412 14 HE1 HIS 852 HE1 HIS 852 13.729 -6.912 8.070 15 HE2 HIS 852 HE2 HIS 852 14.168 -4.830 9.438 16 HB2 HIS 852 HB2 HIS 852 10.683 -2.944 6.692 17 HB3 HIS 852 HB1 HIS 852 10.762 -4.273 5.550 18 H MET 853 H MET 853 10.182 -0.910 5.397 19 HA MET 853 HA MET 853 9.155 -1.077 2.659 20 HB2 MET 853 HB2 MET 853 7.596 -0.937 5.243 21 HB3 MET 853 HB1 MET 853 6.886 -0.464 3.711 22 HG2 MET 853 HG2 MET 853 7.975 -3.194 4.386 23 HG3 MET 853 HG1 MET 853 6.269 -2.741 4.317 24 HE1 MET 853 HE1 MET 853 7.355 -5.240 2.695 25 HE2 MET 853 HE2 MET 853 6.568 -4.994 1.138 26 HE3 MET 853 HE3 MET 853 5.684 -4.678 2.631 27 H ALA 854 H ALA 854 8.023 0.887 1.961 28 HA ALA 854 HA ALA 854 7.921 3.086 1.542 29 HB1 ALA 854 HB1 ALA 854 7.928 4.701 3.395 30 HB2 ALA 854 HB2 ALA 854 8.604 3.475 4.473 31 HB3 ALA 854 HB3 ALA 854 6.977 3.278 3.823 32 H MET 855 H MET 855 10.424 1.541 1.483 33 HA MET 855 HA MET 855 12.493 3.514 1.947 34 HB2 MET 855 HB2 MET 855 14.062 1.678 1.127 35 HB3 MET 855 HB1 MET 855 13.202 1.377 2.620 36 HG2 MET 855 HG2 MET 855 13.255 -0.642 1.329 37 HG3 MET 855 HG1 MET 855 11.604 -0.051 1.379 38 HE1 MET 855 HE1 MET 855 14.379 0.124 -2.317 39 HE2 MET 855 HE2 MET 855 14.816 -0.585 -0.758 40 HE3 MET 855 HE3 MET 855 14.627 1.160 -0.913 41 H ALA 856 H ALA 856 10.491 2.670 -0.520 42 HA ALA 856 HA ALA 856 11.633 4.607 -2.259 43 HB1 ALA 856 HB1 ALA 856 11.450 1.730 -3.165 44 HB2 ALA 856 HB2 ALA 856 12.941 2.673 -2.960 45 HB3 ALA 856 HB3 ALA 856 11.760 3.134 -4.197 46 H TYR 857 H TYR 857 10.137 4.143 -4.491 47 HA TYR 857 HA TYR 857 8.080 4.426 -5.346 48 HD1 TYR 857 HD2 TYR 857 9.069 1.205 -3.399 49 HD2 TYR 857 HD1 TYR 857 6.102 2.107 -6.287 50 HE1 TYR 857 HE2 TYR 857 9.748 -0.755 -4.681 51 HE2 TYR 857 HE1 TYR 857 6.764 0.148 -7.598 52 HH TYR 857 HH TYR 857 8.880 -2.232 -6.343 53 HB2 TYR 857 HB2 TYR 857 7.252 2.789 -2.926 54 HB3 TYR 857 HB1 TYR 857 6.108 3.249 -4.182 55 H VAL 858 H VAL 858 9.364 6.211 -3.684 56 HA VAL 858 HA VAL 858 7.146 7.826 -2.666 57 HB VAL 858 HB VAL 858 9.872 7.472 -1.396 58 HG11 VAL 858 HG11 VAL 858 9.009 8.953 0.411 59 HG12 VAL 858 HG12 VAL 858 7.519 9.174 -0.510 60 HG13 VAL 858 HG13 VAL 858 9.049 9.773 -1.151 61 HG21 VAL 858 HG21 VAL 858 7.157 6.619 -0.376 62 HG22 VAL 858 HG22 VAL 858 8.661 6.546 0.549 63 HG23 VAL 858 HG23 VAL 858 8.475 5.571 -0.911 64 H ILE 859 H ILE 859 7.102 9.628 -3.779 65 HA ILE 859 HA ILE 859 9.637 10.829 -4.713 66 HB ILE 859 HB ILE 859 6.872 11.244 -5.976 67 HG12 ILE 859 HG12 ILE 859 9.141 9.515 -6.991 68 HG13 ILE 859 HG11 ILE 859 7.631 8.916 -6.307 69 HG21 ILE 859 HG21 ILE 859 8.421 13.103 -6.303 70 HG22 ILE 859 HG22 ILE 859 8.115 12.262 -7.822 71 HG23 ILE 859 HG23 ILE 859 9.628 11.996 -6.959 72 HD11 ILE 859 HD11 ILE 859 7.886 10.581 -8.812 73 HD12 ILE 859 HD12 ILE 859 6.393 9.875 -8.178 74 HD13 ILE 859 HD13 ILE 859 7.684 8.836 -8.778 75 H ARG 860 H ARG 860 9.674 13.191 -4.348 76 HA ARG 860 HA ARG 860 7.604 13.957 -2.456 77 HE ARG 860 HE ARG 860 11.933 13.200 0.227 78 HB2 ARG 860 HB2 ARG 860 10.237 15.297 -3.017 79 HB3 ARG 860 HB1 ARG 860 9.048 15.843 -1.853 80 HG2 ARG 860 HG2 ARG 860 9.377 13.783 -0.569 81 HG3 ARG 860 HG1 ARG 860 10.610 13.275 -1.731 82 HD2 ARG 860 HD2 ARG 860 11.821 15.366 -1.273 83 HD3 ARG 860 HD1 ARG 860 10.644 15.740 -0.017 84 HH11 ARG 860 HH11 ARG 860 11.848 16.543 1.265 85 HH12 ARG 860 HH12 ARG 860 13.098 16.419 2.411 86 HH21 ARG 860 HH21 ARG 860 13.626 12.948 1.867 87 HH22 ARG 860 HH22 ARG 860 14.093 14.284 2.802 88 H ASP 861 H ASP 861 6.320 15.476 -2.862 89 HA ASP 861 HA ASP 861 5.964 16.568 -5.474 90 HB2 ASP 861 HB2 ASP 861 4.023 16.142 -4.129 91 HB3 ASP 861 HB1 ASP 861 4.699 17.083 -2.792 92 H GLU 862 H GLU 862 5.613 19.006 -5.517 93 HA GLU 862 HA GLU 862 8.189 20.187 -5.154 94 HB2 GLU 862 HB2 GLU 862 5.633 21.559 -5.988 95 HB3 GLU 862 HB1 GLU 862 7.270 22.167 -6.214 96 HG2 GLU 862 HG2 GLU 862 7.717 20.107 -7.593 97 HG3 GLU 862 HG1 GLU 862 5.987 19.798 -7.515 98 H TRP 863 H TRP 863 5.188 20.277 -3.392 99 HA TRP 863 HA TRP 863 5.884 22.437 -1.629 100 HD1 TRP 863 HD TRP 863 4.382 20.424 1.517 101 HE1 TRP 863 HE1 TRP 863 3.246 22.026 3.166 102 HE3 TRP 863 HE3 TRP 863 2.538 23.809 -1.807 103 HZ2 TRP 863 HZ2 TRP 863 1.735 24.418 3.068 104 HZ3 TRP 863 HZ3 TRP 863 1.247 25.720 -0.958 105 HH2 TRP 863 HH TRP 863 0.859 26.016 1.434 106 HB2 TRP 863 HB2 TRP 863 3.543 21.625 -2.075 107 HB3 TRP 863 HB1 TRP 863 3.936 20.132 -1.247 108 H GLY 864 H GLY 864 6.702 19.128 -1.923 109 HA2 GLY 864 HA2 GLY 864 8.501 18.151 -0.685 110 HA3 GLY 864 HA1 GLY 864 8.046 19.122 0.705 111 H ASN 865 H ASN 865 5.320 18.061 -0.720 112 HA ASN 865 HA ASN 865 4.629 16.252 1.353 113 HB2 ASN 865 HB2 ASN 865 3.263 16.900 -1.273 114 HB3 ASN 865 HB1 ASN 865 2.576 15.821 -0.068 115 HD21 ASN 865 HD21 ASN 865 1.647 18.430 -1.142 116 HD22 ASN 865 HD22 ASN 865 1.436 19.399 0.265 117 H GLN 866 H GLN 866 4.273 13.976 1.196 118 HA GLN 866 HA GLN 866 6.073 12.766 -0.694 119 HB2 GLN 866 HB2 GLN 866 4.545 11.589 1.607 120 HB3 GLN 866 HB1 GLN 866 5.505 10.627 0.492 121 HG2 GLN 866 HG2 GLN 866 7.481 11.924 1.091 122 HG3 GLN 866 HG1 GLN 866 6.506 12.855 2.224 123 HE21 GLN 866 HE21 GLN 866 6.123 9.401 1.708 124 HE22 GLN 866 HE22 GLN 866 6.731 8.923 3.249 125 H ILE 867 H ILE 867 5.615 11.885 -2.414 126 HA ILE 867 HA ILE 867 2.849 11.308 -3.157 127 HB ILE 867 HB ILE 867 5.384 11.327 -4.790 128 HG12 ILE 867 HG12 ILE 867 4.748 13.604 -4.134 129 HG13 ILE 867 HG11 ILE 867 4.517 13.310 -5.861 130 HG21 ILE 867 HG21 ILE 867 3.904 11.142 -6.758 131 HG22 ILE 867 HG22 ILE 867 2.516 11.034 -5.672 132 HG23 ILE 867 HG23 ILE 867 3.727 9.756 -5.667 133 HD11 ILE 867 HD11 ILE 867 2.355 13.323 -3.784 134 HD12 ILE 867 HD12 ILE 867 2.168 12.986 -5.509 135 HD13 ILE 867 HD13 ILE 867 2.676 14.596 -4.980 136 H TRP 868 H TRP 868 2.279 9.361 -2.880 137 HA TRP 868 HA TRP 868 4.271 7.277 -2.422 138 HD1 TRP 868 HD TRP 868 4.185 6.485 0.454 139 HE1 TRP 868 HE1 TRP 868 3.869 8.010 2.537 140 HE3 TRP 868 HE3 TRP 868 0.211 9.274 -1.148 141 HZ2 TRP 868 HZ2 TRP 868 2.178 10.091 3.354 142 HZ3 TRP 868 HZ3 TRP 868 -0.692 11.002 0.345 143 HH2 TRP 868 HH TRP 868 0.277 11.394 2.544 144 HB2 TRP 868 HB2 TRP 868 1.301 7.273 -2.006 145 HB3 TRP 868 HB1 TRP 868 2.367 5.930 -1.589 146 H ILE 869 H ILE 869 4.583 5.665 -3.776 147 HA ILE 869 HA ILE 869 2.809 5.452 -6.066 148 HB ILE 869 HB ILE 869 5.660 4.451 -5.716 149 HG12 ILE 869 HG12 ILE 869 4.504 6.644 -7.439 150 HG13 ILE 869 HG11 ILE 869 5.542 6.871 -6.034 151 HG21 ILE 869 HG21 ILE 869 4.333 2.920 -7.100 152 HG22 ILE 869 HG22 ILE 869 5.547 3.766 -8.064 153 HG23 ILE 869 HG23 ILE 869 3.861 4.268 -8.134 154 HD11 ILE 869 HD11 ILE 869 7.363 5.749 -7.275 155 HD12 ILE 869 HD12 ILE 869 6.746 7.193 -8.091 156 HD13 ILE 869 HD13 ILE 869 6.262 5.600 -8.653 157 H CYS 870 H CYS 870 1.643 3.787 -6.274 158 HA CYS 870 HA CYS 870 1.376 1.857 -4.186 159 HB2 CYS 870 HB2 CYS 870 -0.558 2.970 -5.081 160 HB3 CYS 870 HB1 CYS 870 -0.093 2.617 -6.717 161 HA PRO 871 HA PRO 871 4.172 -0.848 -6.699 162 HB2 PRO 871 HB2 PRO 871 3.683 -2.643 -4.388 163 HB3 PRO 871 HB1 PRO 871 5.215 -2.130 -5.102 164 HG2 PRO 871 HG2 PRO 871 4.409 -1.156 -2.755 165 HG3 PRO 871 HG1 PRO 871 5.246 -0.129 -3.936 166 HD2 PRO 871 HD2 PRO 871 2.309 -0.248 -3.295 167 HD3 PRO 871 HD1 PRO 871 3.349 1.148 -3.633 168 H GLY 872 H GLY 872 0.943 -1.064 -5.930 169 HA2 GLY 872 HA2 GLY 872 0.460 -3.736 -6.864 170 HA3 GLY 872 HA1 GLY 872 -0.753 -2.498 -6.556 171 H CYS 873 H CYS 873 0.538 -0.494 -8.215 172 HA CYS 873 HA CYS 873 -0.124 -1.576 -10.887 173 HB2 CYS 873 HB2 CYS 873 -0.873 0.744 -11.343 174 HB3 CYS 873 HB1 CYS 873 -1.799 -0.050 -10.065 175 H ASN 874 H ASN 874 1.927 0.338 -8.895 176 HA ASN 874 HA ASN 874 3.978 1.095 -8.977 177 HB2 ASN 874 HB2 ASN 874 4.496 -0.833 -10.607 178 HB3 ASN 874 HB1 ASN 874 4.232 0.315 -11.912 179 HD21 ASN 874 HD21 ASN 874 5.870 1.680 -12.451 180 HD22 ASN 874 HD22 ASN 874 7.404 1.744 -11.674 181 H LYS 875 H LYS 875 1.526 2.492 -9.525 182 HA LYS 875 HA LYS 875 2.518 4.817 -11.045 183 HB2 LYS 875 HB2 LYS 875 -0.312 4.059 -10.300 184 HB3 LYS 875 HB1 LYS 875 0.185 5.503 -11.177 185 HG2 LYS 875 HG2 LYS 875 0.854 4.226 -13.053 186 HG3 LYS 875 HG1 LYS 875 0.649 2.713 -12.160 187 HD2 LYS 875 HD2 LYS 875 -1.743 3.110 -11.997 188 HD3 LYS 875 HD1 LYS 875 -1.569 4.660 -12.815 189 HE2 LYS 875 HE2 LYS 875 -2.380 2.977 -14.353 190 HE3 LYS 875 HE1 LYS 875 -0.759 3.501 -14.810 191 HZ1 LYS 875 HZ1 LYS 875 -1.451 0.978 -13.394 192 HZ2 LYS 875 HZ2 LYS 875 0.121 1.503 -13.757 193 HZ3 LYS 875 HZ3 LYS 875 -0.943 1.144 -14.993 194 HA PRO 876 HA PRO 876 2.508 7.094 -7.154 195 HB2 PRO 876 HB2 PRO 876 2.616 9.575 -8.237 196 HB3 PRO 876 HB1 PRO 876 4.032 8.537 -8.118 197 HG2 PRO 876 HG2 PRO 876 2.290 9.118 -10.460 198 HG3 PRO 876 HG1 PRO 876 4.044 8.871 -10.402 199 HD2 PRO 876 HD2 PRO 876 2.281 6.947 -11.244 200 HD3 PRO 876 HD1 PRO 876 3.837 6.579 -10.508 201 H ASP 877 H ASP 877 1.153 8.396 -5.959 202 HA ASP 877 HA ASP 877 -1.583 8.508 -6.763 203 HB2 ASP 877 HB2 ASP 877 -1.139 8.054 -4.447 204 HB3 ASP 877 HB1 ASP 877 -0.205 9.537 -4.286 205 H ASP 878 H ASP 878 -2.833 10.201 -7.117 206 HA ASP 878 HA ASP 878 -1.610 12.870 -7.322 207 HB2 ASP 878 HB2 ASP 878 -2.753 13.349 -9.438 208 HB3 ASP 878 HB1 ASP 878 -1.682 11.971 -9.626 209 H GLY 879 H GLY 879 -3.754 11.124 -5.758 210 HA2 GLY 879 HA2 GLY 879 -5.241 12.398 -4.291 211 HA3 GLY 879 HA1 GLY 879 -5.754 13.274 -5.729 212 H SER 880 H SER 880 -5.225 9.810 -5.383 213 HA SER 880 HA SER 880 -8.020 9.430 -6.180 214 HG SER 880 HG SER 880 -5.269 8.441 -8.179 215 HB2 SER 880 HB2 SER 880 -5.648 7.546 -6.355 216 HB3 SER 880 HB1 SER 880 -7.262 7.233 -6.990 217 HA PRO 881 HA PRO 881 -8.793 7.526 -2.221 218 HB2 PRO 881 HB2 PRO 881 -10.095 5.121 -3.240 219 HB3 PRO 881 HB1 PRO 881 -10.811 6.509 -2.451 220 HG2 PRO 881 HG2 PRO 881 -11.186 5.950 -5.106 221 HG3 PRO 881 HG1 PRO 881 -11.314 7.570 -4.399 222 HD2 PRO 881 HD2 PRO 881 -9.070 6.356 -5.960 223 HD3 PRO 881 HD1 PRO 881 -9.668 8.023 -5.963 224 H MET 882 H MET 882 -7.329 6.567 -0.972 225 HA MET 882 HA MET 882 -5.908 4.282 -2.124 226 HB2 MET 882 HB2 MET 882 -4.712 6.322 -0.248 227 HB3 MET 882 HB1 MET 882 -3.878 5.012 -1.070 228 HG2 MET 882 HG2 MET 882 -4.452 6.122 -3.229 229 HG3 MET 882 HG1 MET 882 -5.058 7.484 -2.294 230 HE1 MET 882 HE1 MET 882 -1.890 5.097 -2.290 231 HE2 MET 882 HE2 MET 882 -0.689 6.237 -2.880 232 HE3 MET 882 HE3 MET 882 -2.049 5.789 -3.904 233 H ILE 883 H ILE 883 -4.963 2.870 -0.539 234 HA ILE 883 HA ILE 883 -6.222 2.877 2.073 235 HB ILE 883 HB ILE 883 -7.649 1.401 0.640 236 HG12 ILE 883 HG12 ILE 883 -5.923 -0.293 2.462 237 HG13 ILE 883 HG11 ILE 883 -7.143 0.829 3.048 238 HG21 ILE 883 HG21 ILE 883 -6.112 0.845 -1.125 239 HG22 ILE 883 HG22 ILE 883 -6.769 -0.613 -0.410 240 HG23 ILE 883 HG23 ILE 883 -5.135 -0.101 -0.005 241 HD11 ILE 883 HD11 ILE 883 -8.858 -0.441 1.874 242 HD12 ILE 883 HD12 ILE 883 -7.968 -1.434 3.029 243 HD13 ILE 883 HD13 ILE 883 -7.624 -1.565 1.305 244 H GLY 884 H GLY 884 -4.905 1.722 3.649 245 HA2 GLY 884 HA2 GLY 884 -2.187 1.212 2.647 246 HA3 GLY 884 HA1 GLY 884 -2.501 2.047 4.162 247 H CYS 885 H CYS 885 -1.009 -0.365 3.591 248 HA CYS 885 HA CYS 885 -2.301 -2.708 4.444 249 HB2 CYS 885 HB2 CYS 885 -0.185 -2.655 3.200 250 HB3 CYS 885 HB1 CYS 885 0.607 -1.879 4.557 251 H ASP 886 H ASP 886 -1.919 -3.809 6.385 252 HA ASP 886 HA ASP 886 -2.176 -2.123 8.731 253 HB2 ASP 886 HB2 ASP 886 -3.618 -4.154 8.399 254 HB3 ASP 886 HB1 ASP 886 -2.180 -5.151 8.550 255 H ASP 887 H ASP 887 0.271 -3.600 6.985 256 HA ASP 887 HA ASP 887 1.998 -3.819 9.349 257 HB2 ASP 887 HB2 ASP 887 1.726 -5.833 7.929 258 HB3 ASP 887 HB1 ASP 887 2.480 -4.959 6.605 259 H CYS 888 H CYS 888 1.841 -2.295 6.147 260 HA CYS 888 HA CYS 888 4.520 -1.222 6.403 261 HB2 CYS 888 HB2 CYS 888 2.470 -0.641 4.271 262 HB3 CYS 888 HB1 CYS 888 4.203 -0.407 4.172 263 H ASP 889 H ASP 889 4.160 1.169 5.072 264 HA ASP 889 HA ASP 889 2.613 3.055 6.762 265 HB2 ASP 889 HB2 ASP 889 5.120 2.980 7.390 266 HB3 ASP 889 HB1 ASP 889 5.464 3.506 5.752 267 H ASP 890 H ASP 890 2.139 1.734 4.397 268 HA ASP 890 HA ASP 890 2.947 3.128 2.001 269 HB2 ASP 890 HB2 ASP 890 1.888 1.245 0.969 270 HB3 ASP 890 HB1 ASP 890 2.937 0.678 2.277 271 H TRP 891 H TRP 891 1.214 3.258 0.369 272 HA TRP 891 HA TRP 891 -1.510 3.354 1.133 273 HD1 TRP 891 HD TRP 891 0.745 6.853 2.289 274 HE1 TRP 891 HE1 TRP 891 -0.430 7.673 4.430 275 HE3 TRP 891 HE3 TRP 891 -3.928 4.981 1.427 276 HZ2 TRP 891 HZ2 TRP 891 -2.998 7.547 5.596 277 HZ3 TRP 891 HZ3 TRP 891 -5.689 5.379 3.099 278 HH2 TRP 891 HH TRP 891 -5.229 6.630 5.142 279 HB2 TRP 891 HB2 TRP 891 -0.078 5.816 0.051 280 HB3 TRP 891 HB1 TRP 891 -1.803 5.573 -0.152 281 H TYR 892 H TYR 892 -2.332 2.076 -0.316 282 HA TYR 892 HA TYR 892 -1.253 1.975 -3.057 283 HD1 TYR 892 HD2 TYR 892 -0.589 0.165 -0.078 284 HD2 TYR 892 HD1 TYR 892 -0.977 -1.445 -3.982 285 HE1 TYR 892 HE2 TYR 892 1.445 -1.076 0.258 286 HE2 TYR 892 HE1 TYR 892 1.100 -2.730 -3.655 287 HH TYR 892 HH TYR 892 2.462 -3.125 -0.604 288 HB2 TYR 892 HB2 TYR 892 -2.859 0.004 -1.419 289 HB3 TYR 892 HB1 TYR 892 -2.689 -0.149 -3.157 290 H HIS 893 H HIS 893 -2.875 1.785 -4.711 291 HA HIS 893 HA HIS 893 -5.093 3.634 -4.147 292 HD2 HIS 893 HD2 HIS 893 -4.215 6.161 -5.651 293 HE1 HIS 893 HE1 HIS 893 -0.734 5.064 -7.758 294 HE2 HIS 893 HE2 HIS 893 -2.227 6.947 -7.016 295 HB2 HIS 893 HB2 HIS 893 -4.397 2.360 -6.803 296 HB3 HIS 893 HB1 HIS 893 -5.555 3.648 -6.546 297 H TRP 894 H TRP 894 -7.231 3.117 -4.286 298 HA TRP 894 HA TRP 894 -8.100 0.613 -3.580 299 HD1 TRP 894 HD TRP 894 -7.864 2.193 -1.836 300 HE1 TRP 894 HE1 TRP 894 -9.117 2.998 0.268 301 HE3 TRP 894 HE3 TRP 894 -12.460 2.799 -3.854 302 HZ2 TRP 894 HZ2 TRP 894 -11.713 3.817 0.956 303 HZ3 TRP 894 HZ3 TRP 894 -14.312 3.607 -2.420 304 HH2 TRP 894 HH TRP 894 -13.935 4.093 -0.059 305 HB2 TRP 894 HB2 TRP 894 -9.519 2.943 -4.781 306 HB3 TRP 894 HB1 TRP 894 -10.373 1.433 -4.520 307 HA PRO 895 HA PRO 895 -9.512 -0.413 -8.171 308 HB2 PRO 895 HB2 PRO 895 -7.815 0.677 -10.079 309 HB3 PRO 895 HB1 PRO 895 -9.433 1.271 -9.702 310 HG2 PRO 895 HG2 PRO 895 -6.784 2.254 -8.738 311 HG3 PRO 895 HG1 PRO 895 -8.214 3.180 -9.228 312 HD2 PRO 895 HD2 PRO 895 -7.632 2.853 -6.653 313 HD3 PRO 895 HD1 PRO 895 -9.312 2.788 -7.218 314 H CYS 896 H CYS 896 -6.247 0.023 -7.053 315 HA CYS 896 HA CYS 896 -5.064 -1.873 -8.834 316 HB2 CYS 896 HB2 CYS 896 -4.071 -0.526 -6.363 317 HB3 CYS 896 HB1 CYS 896 -3.067 -1.327 -7.566 318 H VAL 897 H VAL 897 -6.575 -1.897 -5.777 319 HA VAL 897 HA VAL 897 -5.715 -4.665 -5.382 320 HB VAL 897 HB VAL 897 -6.290 -4.250 -2.916 321 HG11 VAL 897 HG11 VAL 897 -4.044 -2.680 -4.204 322 HG12 VAL 897 HG12 VAL 897 -3.980 -4.381 -3.746 323 HG13 VAL 897 HG13 VAL 897 -4.102 -3.136 -2.503 324 HG21 VAL 897 HG21 VAL 897 -7.587 -2.182 -3.265 325 HG22 VAL 897 HG22 VAL 897 -6.124 -1.406 -3.879 326 HG23 VAL 897 HG23 VAL 897 -6.209 -1.894 -2.189 327 H GLY 898 H GLY 898 -8.052 -3.095 -6.664 328 HA2 GLY 898 HA2 GLY 898 -10.134 -3.769 -7.342 329 HA3 GLY 898 HA1 GLY 898 -9.879 -5.251 -6.434 330 H ILE 899 H ILE 899 -9.848 -1.971 -5.193 331 HA ILE 899 HA ILE 899 -12.151 -2.697 -3.564 332 HB ILE 899 HB ILE 899 -9.831 -0.859 -2.962 333 HG12 ILE 899 HG12 ILE 899 -10.871 -3.389 -1.688 334 HG13 ILE 899 HG11 ILE 899 -9.401 -3.224 -2.632 335 HG21 ILE 899 HG21 ILE 899 -10.860 -0.300 -0.831 336 HG22 ILE 899 HG22 ILE 899 -12.293 -1.234 -1.248 337 HG23 ILE 899 HG23 ILE 899 -11.891 0.220 -2.154 338 HD11 ILE 899 HD11 ILE 899 -8.471 -1.795 -0.925 339 HD12 ILE 899 HD12 ILE 899 -8.979 -3.355 -0.244 340 HD13 ILE 899 HD13 ILE 899 -9.982 -1.908 -0.030 341 H MET 900 H MET 900 -13.882 -1.632 -3.836 342 HA MET 900 HA MET 900 -13.817 0.993 -5.199 343 HB2 MET 900 HB2 MET 900 -15.896 -1.171 -5.406 344 HB3 MET 900 HB1 MET 900 -15.986 0.404 -6.180 345 HG2 MET 900 HG2 MET 900 -13.860 -1.647 -6.681 346 HG3 MET 900 HG1 MET 900 -15.280 -1.413 -7.685 347 HE1 MET 900 HE1 MET 900 -15.505 1.824 -7.640 348 HE2 MET 900 HE2 MET 900 -15.708 0.831 -9.082 349 HE3 MET 900 HE3 MET 900 -14.606 2.210 -9.108 350 H ALA 901 H ALA 901 -14.447 -0.601 -2.406 351 HA ALA 901 HA ALA 901 -16.119 1.525 -1.384 352 HB1 ALA 901 HB1 ALA 901 -17.650 -0.086 -0.348 353 HB2 ALA 901 HB2 ALA 901 -16.807 -1.406 -1.163 354 HB3 ALA 901 HB3 ALA 901 -17.695 -0.214 -2.110 355 H ALA 902 H ALA 902 -15.629 1.930 0.690 356 HA ALA 902 HA ALA 902 -13.136 1.156 1.610 357 HB1 ALA 902 HB1 ALA 902 -15.392 2.392 3.176 358 HB2 ALA 902 HB2 ALA 902 -14.207 3.270 2.208 359 HB3 ALA 902 HB3 ALA 902 -13.689 2.379 3.640 360 HA PRO 903 HA PRO 903 -14.435 -2.795 3.312 361 HB2 PRO 903 HB2 PRO 903 -11.917 -3.579 4.036 362 HB3 PRO 903 HB1 PRO 903 -12.524 -3.704 2.383 363 HG2 PRO 903 HG2 PRO 903 -10.761 -1.622 3.601 364 HG3 PRO 903 HG1 PRO 903 -10.643 -2.396 2.012 365 HD2 PRO 903 HD2 PRO 903 -11.693 0.084 2.346 366 HD3 PRO 903 HD1 PRO 903 -12.270 -1.007 1.085 367 HA PRO 904 HA PRO 904 -14.689 -2.062 7.690 368 HB2 PRO 904 HB2 PRO 904 -13.804 -4.495 8.695 369 HB3 PRO 904 HB1 PRO 904 -15.464 -4.131 8.215 370 HG2 PRO 904 HG2 PRO 904 -13.309 -5.548 6.721 371 HG3 PRO 904 HG1 PRO 904 -15.049 -5.891 6.767 372 HD2 PRO 904 HD2 PRO 904 -13.915 -4.670 4.670 373 HD3 PRO 904 HD1 PRO 904 -15.537 -4.216 5.233 374 H GLU 905 H GLU 905 -13.470 -0.980 8.858 375 HA GLU 905 HA GLU 905 -10.588 -1.009 8.570 376 HB2 GLU 905 HB2 GLU 905 -10.675 0.998 10.077 377 HB3 GLU 905 HB1 GLU 905 -11.627 1.169 8.614 378 HG2 GLU 905 HG2 GLU 905 -12.812 0.390 11.271 379 HG3 GLU 905 HG1 GLU 905 -12.678 2.068 10.731 380 H GLU 906 H GLU 906 -12.792 -2.524 10.346 381 HA GLU 906 HA GLU 906 -11.287 -2.937 12.804 382 HB2 GLU 906 HB2 GLU 906 -13.272 -4.292 13.400 383 HB3 GLU 906 HB1 GLU 906 -13.708 -2.665 12.901 384 HG2 GLU 906 HG2 GLU 906 -14.269 -3.496 10.666 385 HG3 GLU 906 HG1 GLU 906 -13.882 -5.132 11.189 386 H MET 907 H MET 907 -10.870 -3.907 9.804 387 HA MET 907 HA MET 907 -10.199 -6.692 10.401 388 HB2 MET 907 HB2 MET 907 -12.062 -6.586 8.813 389 HB3 MET 907 HB1 MET 907 -11.195 -5.412 7.841 390 HG2 MET 907 HG2 MET 907 -9.485 -7.137 7.362 391 HG3 MET 907 HG1 MET 907 -10.467 -8.298 8.256 392 HE1 MET 907 HE1 MET 907 -10.907 -9.381 4.491 393 HE2 MET 907 HE2 MET 907 -10.398 -9.891 6.100 394 HE3 MET 907 HE3 MET 907 -9.457 -8.687 5.220 395 H GLN 908 H GLN 908 -8.111 -7.230 9.854 396 HA GLN 908 HA GLN 908 -6.305 -5.119 9.194 397 HB2 GLN 908 HB2 GLN 908 -5.846 -8.091 9.269 398 HB3 GLN 908 HB1 GLN 908 -4.600 -6.870 9.144 399 HG2 GLN 908 HG2 GLN 908 -5.156 -6.029 11.346 400 HG3 GLN 908 HG1 GLN 908 -6.442 -7.231 11.487 401 HE21 GLN 908 HE21 GLN 908 -2.995 -6.692 11.462 402 HE22 GLN 908 HE22 GLN 908 -2.582 -8.258 12.069 403 H TRP 909 H TRP 909 -5.386 -4.769 7.298 404 HA TRP 909 HA TRP 909 -6.252 -6.388 5.023 405 HD1 TRP 909 HD TRP 909 -8.268 -5.333 2.733 406 HE1 TRP 909 HE1 TRP 909 -7.508 -4.819 0.324 407 HE3 TRP 909 HE3 TRP 909 -4.071 -2.681 3.761 408 HZ2 TRP 909 HZ2 TRP 909 -5.408 -3.451 -0.950 409 HZ3 TRP 909 HZ3 TRP 909 -2.706 -1.807 1.897 410 HH2 TRP 909 HH TRP 909 -3.354 -2.191 -0.399 411 HB2 TRP 909 HB2 TRP 909 -7.566 -4.289 5.083 412 HB3 TRP 909 HB1 TRP 909 -6.072 -3.362 5.148 413 H PHE 910 H PHE 910 -4.594 -6.878 3.676 414 HA PHE 910 HA PHE 910 -2.077 -5.512 4.215 415 HD1 PHE 910 HD2 PHE 910 -0.198 -6.541 5.964 416 HD2 PHE 910 HD1 PHE 910 -3.612 -9.072 5.747 417 HE1 PHE 910 HE2 PHE 910 -0.214 -6.729 8.417 418 HE2 PHE 910 HE1 PHE 910 -3.637 -9.250 8.199 419 HZ PHE 910 HZ PHE 910 -1.948 -8.080 9.533 420 HB2 PHE 910 HB2 PHE 910 -2.452 -8.485 3.772 421 HB3 PHE 910 HB1 PHE 910 -0.891 -7.672 3.842 422 H CYS 911 H CYS 911 -0.852 -5.006 2.549 423 HA CYS 911 HA CYS 911 -1.988 -4.606 0.046 424 HB2 CYS 911 HB2 CYS 911 0.311 -3.897 -0.506 425 HB3 CYS 911 HB1 CYS 911 -0.273 -3.205 1.001 426 HA PRO 912 HA PRO 912 -1.024 -8.300 -2.319 427 HB2 PRO 912 HB2 PRO 912 0.405 -7.175 -4.451 428 HB3 PRO 912 HB1 PRO 912 -1.352 -7.340 -4.371 429 HG2 PRO 912 HG2 PRO 912 0.362 -4.970 -3.752 430 HG3 PRO 912 HG1 PRO 912 -1.218 -5.017 -4.549 431 HD2 PRO 912 HD2 PRO 912 -0.997 -4.250 -2.017 432 HD3 PRO 912 HD1 PRO 912 -2.362 -5.250 -2.542 433 H LYS 913 H LYS 913 1.380 -6.261 -1.051 434 HA LYS 913 HA LYS 913 3.564 -8.046 -1.698 435 HB2 LYS 913 HB2 LYS 913 3.504 -5.453 -0.131 436 HB3 LYS 913 HB1 LYS 913 4.962 -6.395 -0.444 437 HG2 LYS 913 HG2 LYS 913 3.186 -5.198 -2.557 438 HG3 LYS 913 HG1 LYS 913 4.711 -4.495 -2.029 439 HD2 LYS 913 HD2 LYS 913 5.907 -6.463 -2.774 440 HD3 LYS 913 HD1 LYS 913 4.408 -7.276 -3.185 441 HE2 LYS 913 HE2 LYS 913 3.967 -5.520 -4.854 442 HE3 LYS 913 HE1 LYS 913 5.552 -4.830 -4.491 443 HZ1 LYS 913 HZ1 LYS 913 5.681 -6.292 -6.400 444 HZ2 LYS 913 HZ2 LYS 913 5.033 -7.568 -5.491 445 HZ3 LYS 913 HZ3 LYS 913 6.548 -6.963 -5.110 446 H CYS 914 H CYS 914 2.085 -6.781 1.298 447 HA CYS 914 HA CYS 914 3.410 -8.752 2.813 448 HB2 CYS 914 HB2 CYS 914 1.230 -6.827 3.497 449 HB3 CYS 914 HB1 CYS 914 1.819 -8.006 4.669 450 H ALA 915 H ALA 915 0.403 -8.737 1.177 451 HA ALA 915 HA ALA 915 -0.732 -10.974 2.436 452 HB1 ALA 915 HB1 ALA 915 -1.032 -10.095 -0.434 453 HB2 ALA 915 HB2 ALA 915 -1.995 -9.521 0.931 454 HB3 ALA 915 HB3 ALA 915 -2.092 -11.212 0.434 455 H ASN 916 H ASN 916 1.870 -10.640 0.136 456 HA ASN 916 HA ASN 916 1.790 -13.435 -0.583 457 HB2 ASN 916 HB2 ASN 916 3.585 -11.170 -1.403 458 HB3 ASN 916 HB1 ASN 916 4.049 -12.832 -1.731 459 HD21 ASN 916 HD21 ASN 916 0.715 -11.797 -1.806 460 HD22 ASN 916 HD22 ASN 916 0.515 -11.921 -3.515 461 H LYS 917 H LYS 917 2.892 -11.808 2.051 462 HA LYS 917 HA LYS 917 5.139 -13.601 2.572 463 HB2 LYS 917 HB2 LYS 917 3.762 -11.735 4.521 464 HB3 LYS 917 HB1 LYS 917 5.355 -12.452 4.685 465 HG2 LYS 917 HG2 LYS 917 6.174 -11.085 2.852 466 HG3 LYS 917 HG1 LYS 917 4.575 -10.390 2.635 467 HD2 LYS 917 HD2 LYS 917 6.468 -10.043 4.965 468 HD3 LYS 917 HD1 LYS 917 5.833 -8.796 3.896 469 HE2 LYS 917 HE2 LYS 917 3.519 -9.424 4.826 470 HE3 LYS 917 HE1 LYS 917 4.394 -10.311 6.065 471 HZ1 LYS 917 HZ1 LYS 917 5.549 -8.125 6.575 472 HZ2 LYS 917 HZ2 LYS 917 3.915 -8.203 6.933 473 HZ3 LYS 917 HZ3 LYS 917 4.409 -7.410 5.541 474 H ILE 918 H ILE 918 1.897 -12.902 3.657 475 HA ILE 918 HA ILE 918 1.642 -15.094 5.463 476 HB ILE 918 HB ILE 918 -0.525 -13.450 4.095 477 HG12 ILE 918 HG12 ILE 918 0.745 -13.064 6.822 478 HG13 ILE 918 HG11 ILE 918 1.094 -12.085 5.402 479 HG21 ILE 918 HG21 ILE 918 -1.951 -14.167 5.977 480 HG22 ILE 918 HG22 ILE 918 -0.636 -15.170 6.589 481 HG23 ILE 918 HG23 ILE 918 -1.381 -15.547 5.037 482 HD11 ILE 918 HD11 ILE 918 -1.227 -11.315 5.382 483 HD12 ILE 918 HD12 ILE 918 -0.437 -10.959 6.919 484 HD13 ILE 918 HD13 ILE 918 -1.566 -12.308 6.800 485 H LYS 919 H LYS 919 0.410 -14.415 2.187 486 HA LYS 919 HA LYS 919 -0.307 -17.190 1.890 487 HB2 LYS 919 HB2 LYS 919 -1.809 -15.355 1.036 488 HB3 LYS 919 HB1 LYS 919 -0.554 -14.948 -0.123 489 HG2 LYS 919 HG2 LYS 919 -0.717 -17.275 -1.006 490 HG3 LYS 919 HG1 LYS 919 -2.101 -17.519 0.054 491 HD2 LYS 919 HD2 LYS 919 -3.156 -15.514 -1.052 492 HD3 LYS 919 HD1 LYS 919 -1.840 -15.573 -2.216 493 HE2 LYS 919 HE2 LYS 919 -3.746 -16.744 -3.114 494 HE3 LYS 919 HE1 LYS 919 -2.447 -17.883 -2.772 495 HZ1 LYS 919 HZ1 LYS 919 -4.600 -18.714 -2.035 496 HZ2 LYS 919 HZ2 LYS 919 -4.799 -17.392 -1.025 497 HZ3 LYS 919 HZ3 LYS 919 -3.572 -18.509 -0.718 498 H LYS 920 H LYS 920 1.804 -17.831 2.104 499 HA LYS 920 HA LYS 920 3.142 -17.953 -0.486 500 HB2 LYS 920 HB2 LYS 920 4.400 -16.327 0.971 501 HB3 LYS 920 HB1 LYS 920 4.582 -17.594 2.164 502 HG2 LYS 920 HG2 LYS 920 6.625 -17.274 0.849 503 HG3 LYS 920 HG1 LYS 920 5.960 -18.890 0.643 504 HD2 LYS 920 HD2 LYS 920 6.749 -17.908 -1.488 505 HD3 LYS 920 HD1 LYS 920 5.027 -18.277 -1.516 506 HE2 LYS 920 HE2 LYS 920 5.491 -16.103 -2.554 507 HE3 LYS 920 HE1 LYS 920 4.510 -15.926 -1.112 508 HZ1 LYS 920 HZ1 LYS 920 7.435 -15.448 -1.272 509 HZ2 LYS 920 HZ2 LYS 920 6.504 -15.258 0.119 510 HZ3 LYS 920 HZ3 LYS 920 6.245 -14.268 -1.209 511 H ASP 921 H ASP 921 3.381 -19.058 2.840 512 HA ASP 921 HA ASP 921 3.421 -21.030 3.823 513 HB2 ASP 921 HB2 ASP 921 1.041 -20.844 3.293 514 HB3 ASP 921 HB1 ASP 921 1.317 -21.688 1.774 515 H LYS 922 H LYS 922 5.500 -21.535 3.282 516 HA LYS 922 HA LYS 922 5.747 -23.488 1.167 517 HB2 LYS 922 HB2 LYS 922 8.270 -23.233 1.581 518 HB3 LYS 922 HB1 LYS 922 7.440 -21.901 0.815 519 HG2 LYS 922 HG2 LYS 922 8.990 -20.989 2.361 520 HG3 LYS 922 HG1 LYS 922 7.389 -20.758 3.049 521 HD2 LYS 922 HD2 LYS 922 7.755 -22.679 4.527 522 HD3 LYS 922 HD1 LYS 922 9.348 -22.934 3.812 523 HE2 LYS 922 HE2 LYS 922 8.439 -20.492 5.346 524 HE3 LYS 922 HE1 LYS 922 9.534 -21.741 5.929 525 HZ1 LYS 922 HZ1 LYS 922 10.755 -19.805 5.188 526 HZ2 LYS 922 HZ2 LYS 922 10.058 -19.890 3.675 527 HZ3 LYS 922 HZ3 LYS 922 11.101 -21.116 4.189 528 H LYS 923 H LYS 923 7.133 -25.389 1.606 529 HA LYS 923 HA LYS 923 6.936 -26.381 4.321 530 HB2 LYS 923 HB2 LYS 923 4.729 -26.751 3.337 531 HB3 LYS 923 HB1 LYS 923 5.470 -27.500 1.938 532 HG2 LYS 923 HG2 LYS 923 6.301 -29.307 3.437 533 HG3 LYS 923 HG1 LYS 923 5.366 -28.573 4.747 534 HD2 LYS 923 HD2 LYS 923 3.338 -28.788 3.450 535 HD3 LYS 923 HD1 LYS 923 4.261 -29.444 2.104 536 HE2 LYS 923 HE2 LYS 923 4.884 -31.371 3.466 537 HE3 LYS 923 HE1 LYS 923 3.944 -30.715 4.813 538 HZ1 LYS 923 HZ1 LYS 923 2.698 -32.370 3.551 539 HZ2 LYS 923 HZ2 LYS 923 2.837 -31.429 2.157 540 HZ3 LYS 923 HZ3 LYS 923 1.973 -30.853 3.481 541 H HIS 924 H HIS 924 8.248 -28.279 4.525 542 HA HIS 924 HA HIS 924 9.910 -28.810 2.191 543 HD1 HIS 924 HD1 HIS 924 12.968 -28.538 2.299 544 HD2 HIS 924 HD2 HIS 924 11.915 -31.647 4.829 545 HE1 HIS 924 HE1 HIS 924 14.711 -30.322 1.939 546 HE2 HIS 924 HE2 HIS 924 13.828 -32.284 3.224 547 HB2 HIS 924 HB2 HIS 924 11.199 -27.910 4.102 548 HB3 HIS 924 HB1 HIS 924 10.599 -29.211 5.124 Start of MODEL 9 1 H1 GLY 850 HT1 GLY 850 24.029 9.499 5.554 2 H2 GLY 850 HT2 GLY 850 23.917 8.068 4.683 3 H3 GLY 850 HT3 GLY 850 23.757 8.042 6.372 4 HA2 GLY 850 HA1 GLY 850 21.617 7.832 5.299 5 HA3 GLY 850 HA2 GLY 850 21.743 9.360 6.175 6 H SER 851 H SER 851 20.556 8.134 3.443 7 HA SER 851 HA SER 851 21.554 10.210 1.706 8 HG SER 851 HG SER 851 19.769 6.747 0.659 9 HB2 SER 851 HB2 SER 851 20.224 8.822 0.011 10 HB3 SER 851 HB1 SER 851 21.668 8.086 0.708 11 H HIS 852 H HIS 852 18.486 8.822 2.841 12 HA HIS 852 HA HIS 852 16.359 9.643 3.061 13 HD2 HIS 852 HD2 HIS 852 14.644 10.519 4.872 14 HE1 HIS 852 HE1 HIS 852 13.999 14.700 4.731 15 HE2 HIS 852 HE2 HIS 852 13.156 12.518 5.643 16 HB2 HIS 852 HB2 HIS 852 17.673 11.217 4.580 17 HB3 HIS 852 HB1 HIS 852 17.758 12.343 3.244 18 H MET 853 H MET 853 17.312 9.191 0.531 19 HA MET 853 HA MET 853 16.987 11.372 -1.274 20 HB2 MET 853 HB2 MET 853 18.521 9.466 -1.651 21 HB3 MET 853 HB1 MET 853 17.135 8.399 -1.780 22 HG2 MET 853 HG2 MET 853 16.412 9.559 -3.787 23 HG3 MET 853 HG1 MET 853 17.752 10.689 -3.622 24 HE1 MET 853 HE1 MET 853 16.720 6.953 -4.317 25 HE2 MET 853 HE2 MET 853 17.840 6.768 -2.963 26 HE3 MET 853 HE3 MET 853 18.290 6.190 -4.563 27 H ALA 854 H ALA 854 15.209 12.007 -2.384 28 HA ALA 854 HA ALA 854 12.674 10.899 -1.578 29 HB1 ALA 854 HB1 ALA 854 11.702 12.859 -2.641 30 HB2 ALA 854 HB2 ALA 854 13.270 13.272 -3.337 31 HB3 ALA 854 HB3 ALA 854 13.040 13.325 -1.591 32 H MET 855 H MET 855 14.648 9.893 -3.731 33 HA MET 855 HA MET 855 12.695 9.435 -5.851 34 HB2 MET 855 HB2 MET 855 15.605 8.609 -5.695 35 HB3 MET 855 HB1 MET 855 14.536 8.181 -7.017 36 HG2 MET 855 HG2 MET 855 15.311 10.973 -6.212 37 HG3 MET 855 HG1 MET 855 15.945 10.082 -7.592 38 HE1 MET 855 HE1 MET 855 12.778 9.808 -9.906 39 HE2 MET 855 HE2 MET 855 13.312 8.622 -8.721 40 HE3 MET 855 HE3 MET 855 14.495 9.442 -9.743 41 H ALA 856 H ALA 856 11.275 8.310 -4.628 42 HA ALA 856 HA ALA 856 11.801 5.492 -4.340 43 HB1 ALA 856 HB1 ALA 856 12.624 6.398 -2.214 44 HB2 ALA 856 HB2 ALA 856 11.138 5.486 -1.968 45 HB3 ALA 856 HB3 ALA 856 11.095 7.249 -1.978 46 H TYR 857 H TYR 857 9.528 4.992 -2.783 47 HA TYR 857 HA TYR 857 7.469 5.559 -4.723 48 HD1 TYR 857 HD1 TYR 857 6.326 2.925 -5.600 49 HD2 TYR 857 HD2 TYR 857 9.444 2.618 -2.732 50 HE1 TYR 857 HE1 TYR 857 7.345 1.121 -6.907 51 HE2 TYR 857 HE2 TYR 857 10.476 0.830 -4.021 52 HH TYR 857 HH TYR 857 9.804 -0.846 -5.638 53 HB2 TYR 857 HB2 TYR 857 7.425 3.859 -2.225 54 HB3 TYR 857 HB1 TYR 857 6.112 3.964 -3.390 55 H VAL 858 H VAL 858 8.648 7.380 -2.471 56 HA VAL 858 HA VAL 858 6.076 8.607 -1.868 57 HB VAL 858 HB VAL 858 8.479 8.599 0.011 58 HG11 VAL 858 HG11 VAL 858 5.716 9.756 0.379 59 HG12 VAL 858 HG12 VAL 858 7.207 10.666 0.131 60 HG13 VAL 858 HG13 VAL 858 6.986 9.717 1.604 61 HG21 VAL 858 HG21 VAL 858 5.821 7.189 0.328 62 HG22 VAL 858 HG22 VAL 858 7.088 7.273 1.552 63 HG23 VAL 858 HG23 VAL 858 7.376 6.411 0.042 64 H ILE 859 H ILE 859 6.036 10.303 -3.072 65 HA ILE 859 HA ILE 859 8.518 11.758 -3.690 66 HB ILE 859 HB ILE 859 5.804 11.932 -5.096 67 HG12 ILE 859 HG12 ILE 859 8.342 10.526 -5.967 68 HG13 ILE 859 HG11 ILE 859 6.864 9.745 -5.413 69 HG21 ILE 859 HG21 ILE 859 8.482 13.070 -5.895 70 HG22 ILE 859 HG22 ILE 859 7.111 13.993 -5.280 71 HG23 ILE 859 HG23 ILE 859 6.991 13.169 -6.833 72 HD11 ILE 859 HD11 ILE 859 7.084 11.495 -7.852 73 HD12 ILE 859 HD12 ILE 859 5.665 10.578 -7.348 74 HD13 ILE 859 HD13 ILE 859 7.133 9.738 -7.872 75 H ARG 860 H ARG 860 8.517 14.033 -3.335 76 HA ARG 860 HA ARG 860 6.523 14.812 -1.366 77 HE ARG 860 HE ARG 860 10.601 14.215 1.580 78 HB2 ARG 860 HB2 ARG 860 9.067 16.241 -2.144 79 HB3 ARG 860 HB1 ARG 860 7.982 16.669 -0.828 80 HG2 ARG 860 HG2 ARG 860 8.495 14.602 0.311 81 HG3 ARG 860 HG1 ARG 860 9.530 14.107 -1.024 82 HD2 ARG 860 HD2 ARG 860 10.920 16.099 -0.634 83 HD3 ARG 860 HD1 ARG 860 9.926 16.481 0.773 84 HH11 ARG 860 HH11 ARG 860 12.709 16.163 -0.494 85 HH12 ARG 860 HH12 ARG 860 14.134 15.418 0.043 86 HH21 ARG 860 HH21 ARG 860 12.510 13.191 2.274 87 HH22 ARG 860 HH22 ARG 860 14.037 13.696 1.687 88 H ASP 861 H ASP 861 4.915 15.926 -1.982 89 HA ASP 861 HA ASP 861 4.586 17.208 -4.487 90 HB2 ASP 861 HB2 ASP 861 2.663 16.540 -3.205 91 HB3 ASP 861 HB1 ASP 861 3.234 17.490 -1.823 92 H GLU 862 H GLU 862 4.199 19.538 -4.539 93 HA GLU 862 HA GLU 862 6.640 20.858 -3.946 94 HB2 GLU 862 HB2 GLU 862 5.620 22.922 -4.838 95 HB3 GLU 862 HB1 GLU 862 5.412 21.532 -5.892 96 HG2 GLU 862 HG2 GLU 862 3.130 21.283 -5.143 97 HG3 GLU 862 HG1 GLU 862 3.328 22.656 -4.049 98 H TRP 863 H TRP 863 3.601 20.770 -2.218 99 HA TRP 863 HA TRP 863 4.612 22.827 -0.417 100 HD1 TRP 863 HD TRP 863 1.320 21.985 2.270 101 HE1 TRP 863 HE1 TRP 863 1.349 24.174 3.685 102 HE3 TRP 863 HE3 TRP 863 3.627 25.072 -1.056 103 HZ2 TRP 863 HZ2 TRP 863 2.252 26.812 3.394 104 HZ3 TRP 863 HZ3 TRP 863 4.045 27.405 -0.422 105 HH2 TRP 863 HH TRP 863 3.365 28.249 1.761 106 HB2 TRP 863 HB2 TRP 863 2.182 22.747 -1.242 107 HB3 TRP 863 HB1 TRP 863 1.972 21.379 -0.148 108 H GLY 864 H GLY 864 5.223 19.761 -0.832 109 HA2 GLY 864 HA2 GLY 864 6.412 18.352 0.511 110 HA3 GLY 864 HA1 GLY 864 6.012 19.311 1.914 111 H ASN 865 H ASN 865 3.504 18.318 -0.181 112 HA ASN 865 HA ASN 865 2.341 16.671 1.875 113 HB2 ASN 865 HB2 ASN 865 1.418 17.003 -1.015 114 HB3 ASN 865 HB1 ASN 865 0.530 16.195 0.259 115 HD21 ASN 865 HD21 ASN 865 1.380 19.284 -1.148 116 HD22 ASN 865 HD22 ASN 865 0.335 20.191 -0.150 117 H GLN 866 H GLN 866 2.001 14.417 1.745 118 HA GLN 866 HA GLN 866 4.234 13.082 0.525 119 HB2 GLN 866 HB2 GLN 866 2.035 12.158 2.343 120 HB3 GLN 866 HB1 GLN 866 3.183 11.042 1.622 121 HG2 GLN 866 HG2 GLN 866 5.000 12.071 2.719 122 HG3 GLN 866 HG1 GLN 866 3.984 13.400 3.273 123 HE21 GLN 866 HE21 GLN 866 2.881 10.098 3.302 124 HE22 GLN 866 HE22 GLN 866 2.892 9.891 5.017 125 H ILE 867 H ILE 867 4.191 12.498 -1.450 126 HA ILE 867 HA ILE 867 1.685 11.606 -2.657 127 HB ILE 867 HB ILE 867 4.388 12.165 -3.853 128 HG12 ILE 867 HG12 ILE 867 3.212 14.210 -3.217 129 HG13 ILE 867 HG11 ILE 867 3.323 14.048 -4.970 130 HG21 ILE 867 HG21 ILE 867 3.302 10.385 -5.093 131 HG22 ILE 867 HG22 ILE 867 3.291 11.853 -6.076 132 HG23 ILE 867 HG23 ILE 867 1.828 11.335 -5.228 133 HD11 ILE 867 HD11 ILE 867 1.039 13.268 -5.051 134 HD12 ILE 867 HD12 ILE 867 1.143 14.874 -4.322 135 HD13 ILE 867 HD13 ILE 867 0.888 13.449 -3.302 136 H TRP 868 H TRP 868 1.331 9.585 -2.669 137 HA TRP 868 HA TRP 868 3.531 7.752 -2.061 138 HD1 TRP 868 HD TRP 868 3.399 6.912 0.654 139 HE1 TRP 868 HE1 TRP 868 2.693 8.146 2.799 140 HE3 TRP 868 HE3 TRP 868 -0.963 8.946 -1.024 141 HZ2 TRP 868 HZ2 TRP 868 0.536 9.807 3.644 142 HZ3 TRP 868 HZ3 TRP 868 -2.286 10.341 0.504 143 HH2 TRP 868 HH TRP 868 -1.540 10.754 2.785 144 HB2 TRP 868 HB2 TRP 868 0.575 7.374 -1.945 145 HB3 TRP 868 HB1 TRP 868 1.749 6.131 -1.503 146 H ILE 869 H ILE 869 3.939 6.033 -3.286 147 HA ILE 869 HA ILE 869 2.520 5.825 -5.825 148 HB ILE 869 HB ILE 869 5.402 5.146 -5.162 149 HG12 ILE 869 HG12 ILE 869 4.152 7.147 -7.044 150 HG13 ILE 869 HG11 ILE 869 5.060 7.506 -5.582 151 HG21 ILE 869 HG21 ILE 869 5.657 4.392 -7.480 152 HG22 ILE 869 HG22 ILE 869 3.932 4.644 -7.754 153 HG23 ILE 869 HG23 ILE 869 4.470 3.410 -6.616 154 HD11 ILE 869 HD11 ILE 869 6.323 7.945 -7.582 155 HD12 ILE 869 HD12 ILE 869 6.126 6.281 -8.109 156 HD13 ILE 869 HD13 ILE 869 7.088 6.644 -6.661 157 H CYS 870 H CYS 870 1.596 4.060 -6.309 158 HA CYS 870 HA CYS 870 1.312 1.941 -4.407 159 HB2 CYS 870 HB2 CYS 870 -0.599 3.028 -5.558 160 HB3 CYS 870 HB1 CYS 870 0.102 2.620 -7.104 161 HA PRO 871 HA PRO 871 4.790 0.166 -6.830 162 HB2 PRO 871 HB2 PRO 871 4.507 -2.043 -4.894 163 HB3 PRO 871 HB1 PRO 871 5.919 -1.056 -5.281 164 HG2 PRO 871 HG2 PRO 871 4.606 -0.751 -2.974 165 HG3 PRO 871 HG1 PRO 871 5.315 0.626 -3.840 166 HD2 PRO 871 HD2 PRO 871 2.440 -0.236 -3.709 167 HD3 PRO 871 HD1 PRO 871 3.154 1.385 -3.656 168 H GLY 872 H GLY 872 1.645 -0.813 -6.646 169 HA2 GLY 872 HA2 GLY 872 1.917 -3.396 -7.892 170 HA3 GLY 872 HA1 GLY 872 0.422 -2.475 -7.718 171 H CYS 873 H CYS 873 0.937 -0.149 -8.971 172 HA CYS 873 HA CYS 873 1.122 -0.968 -11.765 173 HB2 CYS 873 HB2 CYS 873 -0.004 1.302 -11.957 174 HB3 CYS 873 HB1 CYS 873 -0.922 0.020 -11.153 175 H ASN 874 H ASN 874 2.624 0.791 -9.261 176 HA ASN 874 HA ASN 874 4.558 1.888 -9.018 177 HB2 ASN 874 HB2 ASN 874 4.969 1.538 -12.014 178 HB3 ASN 874 HB1 ASN 874 6.148 2.260 -10.927 179 HD21 ASN 874 HD21 ASN 874 4.664 -0.652 -12.012 180 HD22 ASN 874 HD22 ASN 874 5.701 -1.755 -11.175 181 H LYS 875 H LYS 875 1.904 2.941 -9.796 182 HA LYS 875 HA LYS 875 2.714 5.531 -10.859 183 HB2 LYS 875 HB2 LYS 875 -0.052 4.366 -10.529 184 HB3 LYS 875 HB1 LYS 875 0.344 5.931 -11.240 185 HG2 LYS 875 HG2 LYS 875 1.499 4.878 -13.048 186 HG3 LYS 875 HG1 LYS 875 1.300 3.295 -12.303 187 HD2 LYS 875 HD2 LYS 875 -1.159 3.556 -12.525 188 HD3 LYS 875 HD1 LYS 875 -0.879 5.088 -13.364 189 HE2 LYS 875 HE2 LYS 875 0.373 3.942 -15.086 190 HE3 LYS 875 HE1 LYS 875 0.165 2.403 -14.250 191 HZ1 LYS 875 HZ1 LYS 875 -2.247 2.639 -14.600 192 HZ2 LYS 875 HZ2 LYS 875 -1.386 2.589 -16.036 193 HZ3 LYS 875 HZ3 LYS 875 -1.976 4.058 -15.477 194 HA PRO 876 HA PRO 876 2.089 7.376 -6.818 195 HB2 PRO 876 HB2 PRO 876 2.012 9.952 -7.645 196 HB3 PRO 876 HB1 PRO 876 3.522 9.070 -7.513 197 HG2 PRO 876 HG2 PRO 876 1.885 9.692 -9.921 198 HG3 PRO 876 HG1 PRO 876 3.647 9.647 -9.750 199 HD2 PRO 876 HD2 PRO 876 2.196 7.628 -10.911 200 HD3 PRO 876 HD1 PRO 876 3.738 7.372 -10.091 201 H ASP 877 H ASP 877 0.581 8.908 -5.813 202 HA ASP 877 HA ASP 877 -2.102 8.434 -6.362 203 HB2 ASP 877 HB2 ASP 877 -1.566 9.235 -4.176 204 HB3 ASP 877 HB1 ASP 877 -0.852 10.710 -4.827 205 H ASP 878 H ASP 878 -3.529 9.234 -7.613 206 HA ASP 878 HA ASP 878 -2.770 11.475 -9.376 207 HB2 ASP 878 HB2 ASP 878 -2.817 9.160 -10.399 208 HB3 ASP 878 HB1 ASP 878 -4.529 9.091 -10.020 209 H GLY 879 H GLY 879 -4.061 11.705 -6.835 210 HA2 GLY 879 HA2 GLY 879 -5.895 12.730 -5.885 211 HA3 GLY 879 HA1 GLY 879 -6.559 12.956 -7.512 212 H SER 880 H SER 880 -5.519 10.150 -5.753 213 HA SER 880 HA SER 880 -7.998 8.828 -6.545 214 HG SER 880 HG SER 880 -4.668 8.594 -5.861 215 HB2 SER 880 HB2 SER 880 -6.413 6.812 -6.674 216 HB3 SER 880 HB1 SER 880 -6.370 8.008 -7.972 217 HA PRO 881 HA PRO 881 -8.191 7.648 -2.290 218 HB2 PRO 881 HB2 PRO 881 -9.752 5.415 -2.500 219 HB3 PRO 881 HB1 PRO 881 -10.400 7.051 -2.628 220 HG2 PRO 881 HG2 PRO 881 -9.838 5.070 -4.768 221 HG3 PRO 881 HG1 PRO 881 -11.095 6.309 -4.685 222 HD2 PRO 881 HD2 PRO 881 -8.737 6.484 -6.136 223 HD3 PRO 881 HD1 PRO 881 -9.747 7.865 -5.689 224 H MET 882 H MET 882 -6.557 6.772 -1.241 225 HA MET 882 HA MET 882 -5.460 4.266 -2.281 226 HB2 MET 882 HB2 MET 882 -3.918 6.434 -0.824 227 HB3 MET 882 HB1 MET 882 -3.254 4.924 -1.433 228 HG2 MET 882 HG2 MET 882 -3.905 5.641 -3.722 229 HG3 MET 882 HG1 MET 882 -4.363 7.201 -3.053 230 HE1 MET 882 HE1 MET 882 -1.283 4.764 -2.375 231 HE2 MET 882 HE2 MET 882 -0.066 5.554 -3.384 232 HE3 MET 882 HE3 MET 882 -1.487 4.828 -4.126 233 H ILE 883 H ILE 883 -4.681 2.778 -0.778 234 HA ILE 883 HA ILE 883 -5.840 3.067 1.892 235 HB ILE 883 HB ILE 883 -7.293 1.549 0.531 236 HG12 ILE 883 HG12 ILE 883 -5.632 -0.129 2.411 237 HG13 ILE 883 HG11 ILE 883 -6.826 1.043 2.958 238 HG21 ILE 883 HG21 ILE 883 -6.479 -0.507 -0.416 239 HG22 ILE 883 HG22 ILE 883 -4.825 -0.033 -0.032 240 HG23 ILE 883 HG23 ILE 883 -5.767 0.912 -1.178 241 HD11 ILE 883 HD11 ILE 883 -8.572 -0.189 1.797 242 HD12 ILE 883 HD12 ILE 883 -7.715 -1.211 2.951 243 HD13 ILE 883 HD13 ILE 883 -7.373 -1.349 1.228 244 H GLY 884 H GLY 884 -4.566 2.255 3.588 245 HA2 GLY 884 HA2 GLY 884 -1.799 1.623 2.794 246 HA3 GLY 884 HA1 GLY 884 -2.263 2.413 4.295 247 H CYS 885 H CYS 885 -0.709 -0.044 3.705 248 HA CYS 885 HA CYS 885 -2.242 -2.297 4.466 249 HB2 CYS 885 HB2 CYS 885 -0.173 -2.473 3.162 250 HB3 CYS 885 HB1 CYS 885 0.748 -1.878 4.535 251 H ASP 886 H ASP 886 -2.320 -3.397 6.337 252 HA ASP 886 HA ASP 886 -2.072 -1.914 8.809 253 HB2 ASP 886 HB2 ASP 886 -4.041 -3.294 8.561 254 HB3 ASP 886 HB1 ASP 886 -3.070 -4.696 8.164 255 H ASP 887 H ASP 887 -0.240 -4.228 7.031 256 HA ASP 887 HA ASP 887 1.266 -5.155 9.328 257 HB2 ASP 887 HB2 ASP 887 1.005 -6.709 7.465 258 HB3 ASP 887 HB1 ASP 887 1.766 -5.563 6.366 259 H CYS 888 H CYS 888 1.901 -3.130 6.506 260 HA CYS 888 HA CYS 888 4.249 -2.207 7.947 261 HB2 CYS 888 HB2 CYS 888 5.063 -1.449 5.694 262 HB3 CYS 888 HB1 CYS 888 4.960 -3.186 5.935 263 H ASP 889 H ASP 889 2.814 -0.649 5.286 264 HA ASP 889 HA ASP 889 1.518 1.539 6.532 265 HB2 ASP 889 HB2 ASP 889 3.686 2.080 7.495 266 HB3 ASP 889 HB1 ASP 889 4.443 2.004 5.912 267 H ASP 890 H ASP 890 3.390 0.238 3.944 268 HA ASP 890 HA ASP 890 3.344 2.225 2.047 269 HB2 ASP 890 HB2 ASP 890 4.640 0.091 2.012 270 HB3 ASP 890 HB1 ASP 890 3.175 -0.733 1.498 271 H TRP 891 H TRP 891 2.010 2.914 0.468 272 HA TRP 891 HA TRP 891 -0.795 2.226 0.890 273 HD1 TRP 891 HD TRP 891 1.714 4.823 2.268 274 HE1 TRP 891 HE1 TRP 891 0.819 5.830 4.496 275 HE3 TRP 891 HE3 TRP 891 -3.248 4.897 1.186 276 HZ2 TRP 891 HZ2 TRP 891 -1.648 6.552 5.606 277 HZ3 TRP 891 HZ3 TRP 891 -4.819 5.753 2.868 278 HH2 TRP 891 HH TRP 891 -4.035 6.570 5.032 279 HB2 TRP 891 HB2 TRP 891 0.472 4.737 -0.202 280 HB3 TRP 891 HB1 TRP 891 -1.260 4.436 -0.150 281 H TYR 892 H TYR 892 -1.980 1.468 -0.632 282 HA TYR 892 HA TYR 892 -1.007 1.415 -3.406 283 HD1 TYR 892 HD2 TYR 892 0.093 -0.900 -1.008 284 HD2 TYR 892 HD1 TYR 892 -1.307 -1.631 -4.946 285 HE1 TYR 892 HE2 TYR 892 2.097 -2.230 -1.471 286 HE2 TYR 892 HE1 TYR 892 0.668 -2.970 -5.425 287 HH TYR 892 HH TYR 892 2.967 -3.150 -4.614 288 HB2 TYR 892 HB2 TYR 892 -2.405 -0.651 -1.748 289 HB3 TYR 892 HB1 TYR 892 -2.720 -0.595 -3.474 290 H HIS 893 H HIS 893 -2.638 1.585 -4.982 291 HA HIS 893 HA HIS 893 -4.731 3.491 -4.287 292 HD2 HIS 893 HD2 HIS 893 -3.963 5.857 -5.772 293 HE1 HIS 893 HE1 HIS 893 -0.890 4.881 -8.491 294 HE2 HIS 893 HE2 HIS 893 -2.021 6.725 -7.281 295 HB2 HIS 893 HB2 HIS 893 -4.258 2.083 -6.932 296 HB3 HIS 893 HB1 HIS 893 -5.431 3.356 -6.670 297 H TRP 894 H TRP 894 -6.930 3.111 -4.181 298 HA TRP 894 HA TRP 894 -7.933 0.672 -3.432 299 HD1 TRP 894 HD TRP 894 -7.635 2.141 -1.624 300 HE1 TRP 894 HE1 TRP 894 -8.764 3.050 0.507 301 HE3 TRP 894 HE3 TRP 894 -12.224 3.270 -3.558 302 HZ2 TRP 894 HZ2 TRP 894 -11.313 4.085 1.268 303 HZ3 TRP 894 HZ3 TRP 894 -13.944 4.195 -2.069 304 HH2 TRP 894 HH TRP 894 -13.482 4.589 0.291 305 HB2 TRP 894 HB2 TRP 894 -9.272 3.094 -4.574 306 HB3 TRP 894 HB1 TRP 894 -10.217 1.645 -4.300 307 HA PRO 895 HA PRO 895 -9.550 -0.318 -7.957 308 HB2 PRO 895 HB2 PRO 895 -8.066 0.784 -9.985 309 HB3 PRO 895 HB1 PRO 895 -9.586 1.459 -9.389 310 HG2 PRO 895 HG2 PRO 895 -6.778 2.211 -8.668 311 HG3 PRO 895 HG1 PRO 895 -8.144 3.271 -9.069 312 HD2 PRO 895 HD2 PRO 895 -7.455 2.885 -6.536 313 HD3 PRO 895 HD1 PRO 895 -9.171 2.915 -6.999 314 H CYS 896 H CYS 896 -6.215 0.006 -7.000 315 HA CYS 896 HA CYS 896 -5.285 -1.989 -8.868 316 HB2 CYS 896 HB2 CYS 896 -3.931 -0.590 -6.589 317 HB3 CYS 896 HB1 CYS 896 -3.110 -1.669 -7.709 318 H VAL 897 H VAL 897 -6.490 -1.888 -5.683 319 HA VAL 897 HA VAL 897 -5.606 -4.644 -5.296 320 HB VAL 897 HB VAL 897 -5.921 -4.170 -2.799 321 HG11 VAL 897 HG11 VAL 897 -3.727 -4.353 -3.893 322 HG12 VAL 897 HG12 VAL 897 -3.700 -3.110 -2.641 323 HG13 VAL 897 HG13 VAL 897 -3.809 -2.649 -4.340 324 HG21 VAL 897 HG21 VAL 897 -5.773 -1.339 -3.806 325 HG22 VAL 897 HG22 VAL 897 -5.805 -1.827 -2.113 326 HG23 VAL 897 HG23 VAL 897 -7.216 -2.084 -3.145 327 H GLY 898 H GLY 898 -8.146 -3.073 -6.267 328 HA2 GLY 898 HA2 GLY 898 -10.285 -3.859 -6.640 329 HA3 GLY 898 HA1 GLY 898 -9.870 -5.262 -5.665 330 H ILE 899 H ILE 899 -9.834 -1.839 -4.788 331 HA ILE 899 HA ILE 899 -11.804 -2.423 -2.680 332 HB ILE 899 HB ILE 899 -9.844 -0.118 -2.881 333 HG12 ILE 899 HG12 ILE 899 -8.927 -2.496 -2.420 334 HG13 ILE 899 HG11 ILE 899 -8.387 -1.181 -1.374 335 HG21 ILE 899 HG21 ILE 899 -11.674 -0.970 -0.641 336 HG22 ILE 899 HG22 ILE 899 -11.841 0.472 -1.644 337 HG23 ILE 899 HG23 ILE 899 -10.483 0.325 -0.535 338 HD11 ILE 899 HD11 ILE 899 -10.518 -3.226 -0.754 339 HD12 ILE 899 HD12 ILE 899 -9.930 -1.903 0.291 340 HD13 ILE 899 HD13 ILE 899 -8.840 -3.208 -0.161 341 H MET 900 H MET 900 -13.752 -1.851 -3.467 342 HA MET 900 HA MET 900 -13.932 0.661 -4.960 343 HB2 MET 900 HB2 MET 900 -15.829 -1.686 -4.894 344 HB3 MET 900 HB1 MET 900 -16.118 -0.188 -5.771 345 HG2 MET 900 HG2 MET 900 -13.840 -2.083 -6.234 346 HG3 MET 900 HG1 MET 900 -15.289 -1.955 -7.229 347 HE1 MET 900 HE1 MET 900 -13.638 -1.691 -9.349 348 HE2 MET 900 HE2 MET 900 -12.223 -1.736 -8.298 349 HE3 MET 900 HE3 MET 900 -12.405 -0.437 -9.474 350 H ALA 901 H ALA 901 -14.244 -0.493 -1.940 351 HA ALA 901 HA ALA 901 -15.835 1.725 -1.100 352 HB1 ALA 901 HB1 ALA 901 -17.389 0.335 0.213 353 HB2 ALA 901 HB2 ALA 901 -16.707 -1.115 -0.526 354 HB3 ALA 901 HB3 ALA 901 -17.585 0.051 -1.515 355 H ALA 902 H ALA 902 -15.336 2.276 0.946 356 HA ALA 902 HA ALA 902 -12.845 1.596 1.887 357 HB1 ALA 902 HB1 ALA 902 -13.969 3.696 2.431 358 HB2 ALA 902 HB2 ALA 902 -13.456 2.859 3.896 359 HB3 ALA 902 HB3 ALA 902 -15.147 2.819 3.406 360 HA PRO 903 HA PRO 903 -13.971 -2.287 3.860 361 HB2 PRO 903 HB2 PRO 903 -11.435 -2.743 4.817 362 HB3 PRO 903 HB1 PRO 903 -12.002 -3.259 3.220 363 HG2 PRO 903 HG2 PRO 903 -10.293 -0.949 3.981 364 HG3 PRO 903 HG1 PRO 903 -10.281 -1.916 2.499 365 HD2 PRO 903 HD2 PRO 903 -11.364 0.599 2.667 366 HD3 PRO 903 HD1 PRO 903 -11.922 -0.596 1.503 367 HA PRO 904 HA PRO 904 -14.631 -0.654 7.970 368 HB2 PRO 904 HB2 PRO 904 -14.607 -3.487 8.795 369 HB3 PRO 904 HB1 PRO 904 -15.877 -2.278 9.010 370 HG2 PRO 904 HG2 PRO 904 -16.138 -4.250 7.241 371 HG3 PRO 904 HG1 PRO 904 -16.731 -2.617 6.889 372 HD2 PRO 904 HD2 PRO 904 -14.276 -3.996 5.901 373 HD3 PRO 904 HD1 PRO 904 -15.390 -2.891 5.061 374 H GLU 905 H GLU 905 -13.632 -0.420 9.869 375 HA GLU 905 HA GLU 905 -10.819 -0.810 9.797 376 HB2 GLU 905 HB2 GLU 905 -10.886 0.352 12.069 377 HB3 GLU 905 HB1 GLU 905 -11.431 1.270 10.679 378 HG2 GLU 905 HG2 GLU 905 -13.343 -0.171 12.487 379 HG3 GLU 905 HG1 GLU 905 -12.790 1.470 12.852 380 H GLU 906 H GLU 906 -13.226 -2.791 10.758 381 HA GLU 906 HA GLU 906 -11.719 -4.142 12.840 382 HB2 GLU 906 HB2 GLU 906 -13.569 -5.764 12.861 383 HB3 GLU 906 HB1 GLU 906 -14.152 -4.117 13.053 384 HG2 GLU 906 HG2 GLU 906 -14.933 -4.062 10.803 385 HG3 GLU 906 HG1 GLU 906 -14.154 -5.600 10.434 386 H MET 907 H MET 907 -11.747 -4.025 9.507 387 HA MET 907 HA MET 907 -10.985 -6.809 9.147 388 HB2 MET 907 HB2 MET 907 -12.560 -5.952 7.510 389 HB3 MET 907 HB1 MET 907 -11.478 -4.609 7.135 390 HG2 MET 907 HG2 MET 907 -9.804 -6.244 6.326 391 HG3 MET 907 HG1 MET 907 -10.962 -7.532 6.611 392 HE1 MET 907 HE1 MET 907 -9.411 -7.015 3.914 393 HE2 MET 907 HE2 MET 907 -10.688 -7.295 2.727 394 HE3 MET 907 HE3 MET 907 -10.555 -8.341 4.142 395 H GLN 908 H GLN 908 -8.931 -7.333 9.087 396 HA GLN 908 HA GLN 908 -6.925 -5.260 8.996 397 HB2 GLN 908 HB2 GLN 908 -6.426 -8.224 8.954 398 HB3 GLN 908 HB1 GLN 908 -5.337 -6.951 9.471 399 HG2 GLN 908 HG2 GLN 908 -7.847 -7.791 10.872 400 HG3 GLN 908 HG1 GLN 908 -6.191 -8.148 11.380 401 HE21 GLN 908 HE21 GLN 908 -5.142 -5.487 10.826 402 HE22 GLN 908 HE22 GLN 908 -5.860 -4.449 11.991 403 H TRP 909 H TRP 909 -5.903 -4.746 7.280 404 HA TRP 909 HA TRP 909 -6.341 -6.312 4.843 405 HD1 TRP 909 HD TRP 909 -8.294 -5.258 2.430 406 HE1 TRP 909 HE1 TRP 909 -7.332 -4.716 0.095 407 HE3 TRP 909 HE3 TRP 909 -4.184 -2.577 3.836 408 HZ2 TRP 909 HZ2 TRP 909 -5.121 -3.329 -0.982 409 HZ3 TRP 909 HZ3 TRP 909 -2.697 -1.677 2.096 410 HH2 TRP 909 HH TRP 909 -3.161 -2.054 -0.262 411 HB2 TRP 909 HB2 TRP 909 -7.798 -4.304 4.844 412 HB3 TRP 909 HB1 TRP 909 -6.372 -3.292 5.051 413 H PHE 910 H PHE 910 -4.552 -6.758 3.794 414 HA PHE 910 HA PHE 910 -2.122 -5.289 4.512 415 HD1 PHE 910 HD1 PHE 910 -1.024 -6.239 6.584 416 HD2 PHE 910 HD2 PHE 910 -3.555 -9.402 5.308 417 HE1 PHE 910 HE1 PHE 910 -1.546 -6.765 8.932 418 HE2 PHE 910 HE2 PHE 910 -4.070 -9.946 7.648 419 HZ PHE 910 HZ PHE 910 -3.069 -8.621 9.463 420 HB2 PHE 910 HB2 PHE 910 -2.380 -8.203 3.730 421 HB3 PHE 910 HB1 PHE 910 -0.898 -7.396 4.220 422 H CYS 911 H CYS 911 -0.837 -4.694 2.802 423 HA CYS 911 HA CYS 911 -2.025 -4.424 0.241 424 HB2 CYS 911 HB2 CYS 911 0.232 -3.609 -0.446 425 HB3 CYS 911 HB1 CYS 911 -0.321 -2.850 1.034 426 HA PRO 912 HA PRO 912 -1.218 -8.209 -1.900 427 HB2 PRO 912 HB2 PRO 912 0.314 -7.277 -4.078 428 HB3 PRO 912 HB1 PRO 912 -1.438 -7.473 -4.043 429 HG2 PRO 912 HG2 PRO 912 0.202 -5.027 -3.628 430 HG3 PRO 912 HG1 PRO 912 -1.405 -5.164 -4.351 431 HD2 PRO 912 HD2 PRO 912 -1.057 -4.183 -1.901 432 HD3 PRO 912 HD1 PRO 912 -2.455 -5.203 -2.285 433 H LYS 913 H LYS 913 1.434 -6.118 -1.138 434 HA LYS 913 HA LYS 913 3.615 -7.902 -1.553 435 HB2 LYS 913 HB2 LYS 913 3.269 -5.525 0.278 436 HB3 LYS 913 HB1 LYS 913 4.798 -6.353 0.019 437 HG2 LYS 913 HG2 LYS 913 3.173 -5.039 -2.102 438 HG3 LYS 913 HG1 LYS 913 4.466 -4.204 -1.278 439 HD2 LYS 913 HD2 LYS 913 5.916 -6.200 -2.019 440 HD3 LYS 913 HD1 LYS 913 4.571 -6.561 -3.110 441 HE2 LYS 913 HE2 LYS 913 6.133 -5.230 -4.321 442 HE3 LYS 913 HE1 LYS 913 4.719 -4.248 -3.932 443 HZ1 LYS 913 HZ1 LYS 913 6.840 -3.054 -3.531 444 HZ2 LYS 913 HZ2 LYS 913 7.259 -4.195 -2.394 445 HZ3 LYS 913 HZ3 LYS 913 5.945 -3.207 -2.117 446 H CYS 914 H CYS 914 1.852 -6.858 1.349 447 HA CYS 914 HA CYS 914 3.134 -8.857 2.905 448 HB2 CYS 914 HB2 CYS 914 1.007 -6.848 3.608 449 HB3 CYS 914 HB1 CYS 914 1.797 -7.905 4.785 450 H ALA 915 H ALA 915 0.213 -8.650 1.206 451 HA ALA 915 HA ALA 915 -1.263 -10.796 2.287 452 HB1 ALA 915 HB1 ALA 915 -0.899 -9.956 -0.556 453 HB2 ALA 915 HB2 ALA 915 -2.076 -9.242 0.566 454 HB3 ALA 915 HB3 ALA 915 -2.239 -10.939 0.048 455 H ASN 916 H ASN 916 1.373 -10.536 0.086 456 HA ASN 916 HA ASN 916 1.513 -13.273 -0.677 457 HB2 ASN 916 HB2 ASN 916 2.163 -11.483 -2.162 458 HB3 ASN 916 HB1 ASN 916 3.329 -10.898 -1.004 459 HD21 ASN 916 HD21 ASN 916 4.755 -10.957 -2.527 460 HD22 ASN 916 HD22 ASN 916 5.615 -12.378 -3.068 461 H LYS 917 H LYS 917 2.664 -11.391 1.982 462 HA LYS 917 HA LYS 917 4.661 -13.344 2.730 463 HB2 LYS 917 HB2 LYS 917 3.534 -11.084 4.375 464 HB3 LYS 917 HB1 LYS 917 4.976 -12.019 4.740 465 HG2 LYS 917 HG2 LYS 917 5.976 -11.161 2.639 466 HG3 LYS 917 HG1 LYS 917 4.586 -10.102 2.455 467 HD2 LYS 917 HD2 LYS 917 6.613 -10.119 4.680 468 HD3 LYS 917 HD1 LYS 917 6.353 -8.867 3.460 469 HE2 LYS 917 HE2 LYS 917 4.105 -8.446 4.462 470 HE3 LYS 917 HE1 LYS 917 4.484 -9.648 5.697 471 HZ1 LYS 917 HZ1 LYS 917 4.853 -7.346 6.378 472 HZ2 LYS 917 HZ2 LYS 917 5.995 -7.175 5.183 473 HZ3 LYS 917 HZ3 LYS 917 6.268 -8.263 6.458 474 H ILE 918 H ILE 918 1.294 -12.889 3.127 475 HA ILE 918 HA ILE 918 0.889 -14.424 5.471 476 HB ILE 918 HB ILE 918 -0.944 -14.033 3.075 477 HG12 ILE 918 HG12 ILE 918 -0.300 -11.917 4.103 478 HG13 ILE 918 HG11 ILE 918 -2.000 -12.242 4.366 479 HG21 ILE 918 HG21 ILE 918 -2.800 -14.606 4.585 480 HG22 ILE 918 HG22 ILE 918 -1.641 -14.970 5.860 481 HG23 ILE 918 HG23 ILE 918 -1.667 -15.943 4.389 482 HD11 ILE 918 HD11 ILE 918 -1.462 -12.956 6.676 483 HD12 ILE 918 HD12 ILE 918 -0.984 -11.290 6.344 484 HD13 ILE 918 HD13 ILE 918 0.234 -12.561 6.374 485 H LYS 919 H LYS 919 1.462 -15.159 2.110 486 HA LYS 919 HA LYS 919 1.812 -16.850 0.887 487 HB2 LYS 919 HB2 LYS 919 2.895 -18.081 3.374 488 HB3 LYS 919 HB1 LYS 919 3.258 -18.399 1.657 489 HG2 LYS 919 HG2 LYS 919 4.228 -16.238 1.393 490 HG3 LYS 919 HG1 LYS 919 3.759 -15.807 3.032 491 HD2 LYS 919 HD2 LYS 919 6.111 -16.327 3.032 492 HD3 LYS 919 HD1 LYS 919 5.271 -17.645 3.847 493 HE2 LYS 919 HE2 LYS 919 6.950 -18.533 2.342 494 HE3 LYS 919 HE1 LYS 919 5.341 -18.953 1.763 495 HZ1 LYS 919 HZ1 LYS 919 7.002 -16.711 0.716 496 HZ2 LYS 919 HZ2 LYS 919 5.480 -17.138 0.156 497 HZ3 LYS 919 HZ3 LYS 919 6.770 -18.180 -0.052 498 H LYS 920 H LYS 920 0.430 -18.083 -0.014 499 HA LYS 920 HA LYS 920 -1.245 -19.788 1.595 500 HB2 LYS 920 HB2 LYS 920 -2.200 -18.730 -0.417 501 HB3 LYS 920 HB1 LYS 920 -1.062 -19.649 -1.407 502 HG2 LYS 920 HG2 LYS 920 -2.070 -21.741 -0.624 503 HG3 LYS 920 HG1 LYS 920 -3.229 -20.826 0.333 504 HD2 LYS 920 HD2 LYS 920 -4.188 -19.884 -1.682 505 HD3 LYS 920 HD1 LYS 920 -2.959 -20.687 -2.665 506 HE2 LYS 920 HE2 LYS 920 -3.793 -22.870 -1.900 507 HE3 LYS 920 HE1 LYS 920 -5.028 -22.059 -0.943 508 HZ1 LYS 920 HZ1 LYS 920 -4.776 -21.956 -3.894 509 HZ2 LYS 920 HZ2 LYS 920 -5.993 -21.212 -2.997 510 HZ3 LYS 920 HZ3 LYS 920 -5.877 -22.894 -3.034 511 H ASP 921 H ASP 921 0.553 -20.670 2.440 512 HA ASP 921 HA ASP 921 1.941 -22.789 0.936 513 HB2 ASP 921 HB2 ASP 921 3.237 -21.405 2.557 514 HB3 ASP 921 HB1 ASP 921 2.221 -22.033 3.851 515 H LYS 922 H LYS 922 -0.344 -22.242 3.420 516 HA LYS 922 HA LYS 922 -1.069 -25.056 3.460 517 HB2 LYS 922 HB2 LYS 922 -1.977 -22.709 5.158 518 HB3 LYS 922 HB1 LYS 922 -2.571 -24.355 5.342 519 HG2 LYS 922 HG2 LYS 922 -0.270 -25.088 5.852 520 HG3 LYS 922 HG1 LYS 922 0.257 -23.410 5.759 521 HD2 LYS 922 HD2 LYS 922 -1.245 -22.839 7.599 522 HD3 LYS 922 HD1 LYS 922 -1.785 -24.519 7.680 523 HE2 LYS 922 HE2 LYS 922 0.510 -25.226 8.195 524 HE3 LYS 922 HE1 LYS 922 1.037 -23.546 8.131 525 HZ1 LYS 922 HZ1 LYS 922 -0.432 -23.066 10.003 526 HZ2 LYS 922 HZ2 LYS 922 0.659 -24.285 10.405 527 HZ3 LYS 922 HZ3 LYS 922 -0.928 -24.677 10.042 528 H LYS 923 H LYS 923 -3.741 -24.916 3.736 529 HA LYS 923 HA LYS 923 -4.482 -24.106 1.085 530 HB2 LYS 923 HB2 LYS 923 -5.236 -26.255 2.136 531 HB3 LYS 923 HB1 LYS 923 -6.195 -25.319 3.257 532 HG2 LYS 923 HG2 LYS 923 -7.627 -24.529 1.511 533 HG3 LYS 923 HG1 LYS 923 -6.577 -25.209 0.274 534 HD2 LYS 923 HD2 LYS 923 -7.883 -26.959 2.346 535 HD3 LYS 923 HD1 LYS 923 -8.739 -26.463 0.898 536 HE2 LYS 923 HE2 LYS 923 -7.730 -28.687 0.629 537 HE3 LYS 923 HE1 LYS 923 -7.064 -27.531 -0.514 538 HZ1 LYS 923 HZ1 LYS 923 -5.078 -27.388 0.834 539 HZ2 LYS 923 HZ2 LYS 923 -5.375 -28.981 0.449 540 HZ3 LYS 923 HZ3 LYS 923 -5.723 -28.420 1.999 541 H HIS 924 H HIS 924 -6.335 -22.777 0.612 542 HA HIS 924 HA HIS 924 -6.735 -20.622 2.555 543 HD1 HIS 924 HD1 HIS 924 -6.224 -17.627 1.749 544 HD2 HIS 924 HD2 HIS 924 -9.031 -18.998 -0.980 545 HE1 HIS 924 HE1 HIS 924 -7.708 -15.669 1.274 546 HE2 HIS 924 HE2 HIS 924 -9.079 -16.439 -0.666 547 HB2 HIS 924 HB2 HIS 924 -5.599 -19.883 0.480 548 HB3 HIS 924 HB1 HIS 924 -6.854 -20.620 -0.493 Start of MODEL 10 1 H1 GLY 850 HT1 GLY 850 10.781 4.718 -20.583 2 H2 GLY 850 HT2 GLY 850 9.520 4.932 -19.507 3 H3 GLY 850 HT3 GLY 850 9.206 4.900 -21.177 4 HA2 GLY 850 HA1 GLY 850 8.597 2.816 -20.133 5 HA3 GLY 850 HA2 GLY 850 9.956 2.590 -21.234 6 H SER 851 H SER 851 9.956 0.624 -19.572 7 HA SER 851 HA SER 851 10.950 -0.494 -17.905 8 HG SER 851 HG SER 851 12.476 0.437 -19.869 9 HB2 SER 851 HB2 SER 851 12.863 1.854 -17.973 10 HB3 SER 851 HB1 SER 851 13.190 0.329 -17.150 11 H HIS 852 H HIS 852 12.008 0.023 -15.487 12 HA HIS 852 HA HIS 852 9.776 1.258 -14.140 13 HD2 HIS 852 HD2 HIS 852 12.275 1.141 -10.546 14 HE1 HIS 852 HE1 HIS 852 8.294 0.266 -9.401 15 HE2 HIS 852 HE2 HIS 852 10.555 0.934 -8.580 16 HB2 HIS 852 HB2 HIS 852 10.635 -0.956 -13.352 17 HB3 HIS 852 HB1 HIS 852 12.171 -0.204 -12.962 18 H MET 853 H MET 853 10.091 3.374 -14.601 19 HA MET 853 HA MET 853 12.597 4.538 -13.744 20 HB2 MET 853 HB2 MET 853 10.420 5.660 -15.486 21 HB3 MET 853 HB1 MET 853 11.696 6.667 -14.818 22 HG2 MET 853 HG2 MET 853 13.366 5.246 -15.928 23 HG3 MET 853 HG1 MET 853 12.060 4.302 -16.636 24 HE1 MET 853 HE1 MET 853 13.642 6.336 -19.609 25 HE2 MET 853 HE2 MET 853 13.247 4.728 -19.002 26 HE3 MET 853 HE3 MET 853 14.471 5.706 -18.187 27 H ALA 854 H ALA 854 12.312 4.295 -11.660 28 HA ALA 854 HA ALA 854 10.859 6.485 -10.440 29 HB1 ALA 854 HB1 ALA 854 10.742 3.612 -9.480 30 HB2 ALA 854 HB2 ALA 854 9.395 4.531 -10.145 31 HB3 ALA 854 HB3 ALA 854 10.109 5.006 -8.604 32 H MET 855 H MET 855 12.355 7.571 -9.378 33 HA MET 855 HA MET 855 14.887 6.304 -8.760 34 HB2 MET 855 HB2 MET 855 13.933 9.139 -8.276 35 HB3 MET 855 HB1 MET 855 15.568 8.566 -7.982 36 HG2 MET 855 HG2 MET 855 14.182 8.659 -10.651 37 HG3 MET 855 HG1 MET 855 15.421 9.780 -10.088 38 HE1 MET 855 HE1 MET 855 17.286 7.786 -12.877 39 HE2 MET 855 HE2 MET 855 16.832 9.380 -12.272 40 HE3 MET 855 HE3 MET 855 15.592 8.279 -12.868 41 H ALA 856 H ALA 856 12.029 7.409 -7.244 42 HA ALA 856 HA ALA 856 12.482 5.775 -4.976 43 HB1 ALA 856 HB1 ALA 856 13.652 7.811 -4.243 44 HB2 ALA 856 HB2 ALA 856 12.182 7.511 -3.319 45 HB3 ALA 856 HB3 ALA 856 12.193 8.767 -4.568 46 H TYR 857 H TYR 857 10.423 6.351 -3.456 47 HA TYR 857 HA TYR 857 8.206 6.318 -5.374 48 HD1 TYR 857 HD1 TYR 857 10.657 4.093 -3.676 49 HD2 TYR 857 HD2 TYR 857 6.847 3.188 -5.333 50 HE1 TYR 857 HE1 TYR 857 11.657 2.274 -4.869 51 HE2 TYR 857 HE2 TYR 857 7.836 1.298 -6.563 52 HH TYR 857 HH TYR 857 10.961 0.126 -5.909 53 HB2 TYR 857 HB2 TYR 857 8.452 4.971 -2.658 54 HB3 TYR 857 HB1 TYR 857 7.023 4.900 -3.690 55 H VAL 858 H VAL 858 9.647 8.417 -3.731 56 HA VAL 858 HA VAL 858 7.274 9.744 -2.653 57 HB VAL 858 HB VAL 858 10.157 10.080 -1.747 58 HG11 VAL 858 HG11 VAL 858 8.957 12.192 -1.619 59 HG12 VAL 858 HG12 VAL 858 9.275 11.568 -0.005 60 HG13 VAL 858 HG13 VAL 858 7.661 11.429 -0.699 61 HG21 VAL 858 HG21 VAL 858 7.805 8.866 -0.296 62 HG22 VAL 858 HG22 VAL 858 9.393 9.171 0.400 63 HG23 VAL 858 HG23 VAL 858 9.215 8.001 -0.908 64 H ILE 859 H ILE 859 6.671 11.130 -4.049 65 HA ILE 859 HA ILE 859 8.642 12.821 -5.432 66 HB ILE 859 HB ILE 859 5.804 12.098 -6.360 67 HG12 ILE 859 HG12 ILE 859 8.452 11.117 -7.436 68 HG13 ILE 859 HG11 ILE 859 7.334 10.174 -6.453 69 HG21 ILE 859 HG21 ILE 859 6.526 14.294 -7.149 70 HG22 ILE 859 HG22 ILE 859 6.414 13.135 -8.475 71 HG23 ILE 859 HG23 ILE 859 7.990 13.571 -7.822 72 HD11 ILE 859 HD11 ILE 859 7.183 9.656 -8.860 73 HD12 ILE 859 HD12 ILE 859 6.713 11.326 -9.169 74 HD13 ILE 859 HD13 ILE 859 5.666 10.279 -8.211 75 H ARG 860 H ARG 860 7.790 15.134 -5.643 76 HA ARG 860 HA ARG 860 5.855 15.671 -3.523 77 HE ARG 860 HE ARG 860 7.576 18.153 -0.834 78 HB2 ARG 860 HB2 ARG 860 8.082 17.466 -4.479 79 HB3 ARG 860 HB1 ARG 860 6.895 17.893 -3.254 80 HG2 ARG 860 HG2 ARG 860 7.742 16.025 -1.866 81 HG3 ARG 860 HG1 ARG 860 8.995 15.744 -3.079 82 HD2 ARG 860 HD2 ARG 860 9.913 17.080 -1.314 83 HD3 ARG 860 HD1 ARG 860 9.752 18.087 -2.754 84 HH11 ARG 860 HH11 ARG 860 10.483 19.787 -2.064 85 HH12 ARG 860 HH12 ARG 860 10.124 21.279 -1.335 86 HH21 ARG 860 HH21 ARG 860 7.123 20.196 0.207 87 HH22 ARG 860 HH22 ARG 860 8.160 21.506 -0.027 88 H ASP 861 H ASP 861 4.207 16.829 -3.910 89 HA ASP 861 HA ASP 861 3.270 17.332 -6.579 90 HB2 ASP 861 HB2 ASP 861 1.797 16.569 -4.717 91 HB3 ASP 861 HB1 ASP 861 2.154 18.070 -3.867 92 H GLU 862 H GLU 862 2.135 19.600 -6.802 93 HA GLU 862 HA GLU 862 4.222 21.568 -6.900 94 HB2 GLU 862 HB2 GLU 862 2.523 23.039 -7.937 95 HB3 GLU 862 HB1 GLU 862 2.614 21.474 -8.723 96 HG2 GLU 862 HG2 GLU 862 0.606 20.764 -7.493 97 HG3 GLU 862 HG1 GLU 862 0.513 22.362 -6.759 98 H TRP 863 H TRP 863 1.498 20.904 -4.797 99 HA TRP 863 HA TRP 863 1.761 23.292 -3.284 100 HD1 TRP 863 HD TRP 863 -1.280 20.600 -4.755 101 HE1 TRP 863 HE1 TRP 863 -3.131 22.189 -5.596 102 HE3 TRP 863 HE3 TRP 863 -0.170 24.556 -1.904 103 HZ2 TRP 863 HZ2 TRP 863 -4.009 24.857 -5.065 104 HZ3 TRP 863 HZ3 TRP 863 -1.543 26.646 -2.074 105 HH2 TRP 863 HH TRP 863 -3.423 26.764 -3.640 106 HB2 TRP 863 HB2 TRP 863 0.387 20.655 -2.752 107 HB3 TRP 863 HB1 TRP 863 0.297 22.038 -1.673 108 H GLY 864 H GLY 864 3.756 20.679 -3.649 109 HA2 GLY 864 HA2 GLY 864 5.741 20.273 -2.558 110 HA3 GLY 864 HA1 GLY 864 5.208 21.259 -1.214 111 H ASN 865 H ASN 865 2.743 19.277 -1.829 112 HA ASN 865 HA ASN 865 3.262 17.705 0.474 113 HB2 ASN 865 HB2 ASN 865 0.962 17.694 -1.468 114 HB3 ASN 865 HB1 ASN 865 1.106 16.454 -0.229 115 HD21 ASN 865 HD21 ASN 865 0.347 19.786 -0.884 116 HD22 ASN 865 HD22 ASN 865 -0.195 20.154 0.700 117 H GLN 866 H GLN 866 3.360 15.427 0.613 118 HA GLN 866 HA GLN 866 5.086 14.330 -1.349 119 HB2 GLN 866 HB2 GLN 866 3.712 13.005 0.977 120 HB3 GLN 866 HB1 GLN 866 4.868 12.219 -0.077 121 HG2 GLN 866 HG2 GLN 866 6.571 13.820 0.595 122 HG3 GLN 866 HG1 GLN 866 5.402 14.605 1.657 123 HE21 GLN 866 HE21 GLN 866 5.616 11.116 1.186 124 HE22 GLN 866 HE22 GLN 866 6.151 10.763 2.778 125 H ILE 867 H ILE 867 4.799 12.766 -2.723 126 HA ILE 867 HA ILE 867 2.095 11.877 -3.441 127 HB ILE 867 HB ILE 867 4.551 12.462 -5.042 128 HG12 ILE 867 HG12 ILE 867 3.214 14.434 -4.550 129 HG13 ILE 867 HG11 ILE 867 3.223 14.059 -6.270 130 HG21 ILE 867 HG21 ILE 867 2.027 11.147 -6.033 131 HG22 ILE 867 HG22 ILE 867 3.641 10.442 -5.976 132 HG23 ILE 867 HG23 ILE 867 3.298 11.777 -7.081 133 HD11 ILE 867 HD11 ILE 867 1.011 14.766 -5.526 134 HD12 ILE 867 HD12 ILE 867 0.983 13.451 -4.346 135 HD13 ILE 867 HD13 ILE 867 1.015 13.091 -6.078 136 H TRP 868 H TRP 868 1.893 9.755 -3.302 137 HA TRP 868 HA TRP 868 4.251 8.135 -2.737 138 HD1 TRP 868 HD TRP 868 4.126 6.451 -0.075 139 HE1 TRP 868 HE1 TRP 868 4.362 7.797 2.121 140 HE3 TRP 868 HE3 TRP 868 0.929 10.227 -1.138 141 HZ2 TRP 868 HZ2 TRP 868 3.314 10.137 3.228 142 HZ3 TRP 868 HZ3 TRP 868 0.591 11.997 0.536 143 HH2 TRP 868 HH TRP 868 1.770 11.940 2.685 144 HB2 TRP 868 HB2 TRP 868 1.341 7.836 -2.126 145 HB3 TRP 868 HB1 TRP 868 2.450 6.470 -2.007 146 H ILE 869 H ILE 869 4.476 6.130 -3.681 147 HA ILE 869 HA ILE 869 2.985 5.794 -6.167 148 HB ILE 869 HB ILE 869 5.905 5.140 -5.657 149 HG12 ILE 869 HG12 ILE 869 4.519 7.032 -7.560 150 HG13 ILE 869 HG11 ILE 869 5.511 7.479 -6.177 151 HG21 ILE 869 HG21 ILE 869 4.245 4.491 -8.101 152 HG22 ILE 869 HG22 ILE 869 4.889 3.321 -6.951 153 HG23 ILE 869 HG23 ILE 869 5.988 4.262 -7.958 154 HD11 ILE 869 HD11 ILE 869 6.658 7.832 -8.244 155 HD12 ILE 869 HD12 ILE 869 6.408 6.159 -8.714 156 HD13 ILE 869 HD13 ILE 869 7.475 6.540 -7.349 157 H CYS 870 H CYS 870 1.753 4.205 -6.154 158 HA CYS 870 HA CYS 870 1.698 2.144 -4.172 159 HB2 CYS 870 HB2 CYS 870 -0.336 3.088 -5.153 160 HB3 CYS 870 HB1 CYS 870 0.217 2.681 -6.754 161 HA PRO 871 HA PRO 871 4.626 -0.113 -6.826 162 HB2 PRO 871 HB2 PRO 871 5.311 -2.055 -5.069 163 HB3 PRO 871 HB1 PRO 871 5.967 -0.418 -4.975 164 HG2 PRO 871 HG2 PRO 871 3.793 -1.688 -3.394 165 HG3 PRO 871 HG1 PRO 871 5.064 -0.574 -2.861 166 HD2 PRO 871 HD2 PRO 871 2.467 0.185 -3.376 167 HD3 PRO 871 HD1 PRO 871 3.857 1.282 -3.478 168 H GLY 872 H GLY 872 1.579 -0.819 -6.024 169 HA2 GLY 872 HA2 GLY 872 1.479 -3.589 -6.858 170 HA3 GLY 872 HA1 GLY 872 0.100 -2.540 -6.538 171 H CYS 873 H CYS 873 1.170 -0.415 -8.274 172 HA CYS 873 HA CYS 873 0.716 -1.609 -10.929 173 HB2 CYS 873 HB2 CYS 873 -0.193 0.682 -11.419 174 HB3 CYS 873 HB1 CYS 873 -1.142 -0.253 -10.261 175 H ASN 874 H ASN 874 2.390 0.627 -8.889 176 HA ASN 874 HA ASN 874 4.300 1.622 -8.843 177 HB2 ASN 874 HB2 ASN 874 4.912 0.330 -11.522 178 HB3 ASN 874 HB1 ASN 874 6.043 1.382 -10.672 179 HD21 ASN 874 HD21 ASN 874 4.641 -1.765 -10.842 180 HD22 ASN 874 HD22 ASN 874 5.562 -2.460 -9.565 181 H LYS 875 H LYS 875 2.004 2.734 -9.441 182 HA LYS 875 HA LYS 875 2.796 5.045 -11.080 183 HB2 LYS 875 HB2 LYS 875 0.055 4.002 -10.361 184 HB3 LYS 875 HB1 LYS 875 0.380 5.544 -11.138 185 HG2 LYS 875 HG2 LYS 875 1.221 4.433 -13.098 186 HG3 LYS 875 HG1 LYS 875 1.090 2.864 -12.303 187 HD2 LYS 875 HD2 LYS 875 -0.802 3.318 -13.857 188 HD3 LYS 875 HD1 LYS 875 -1.301 3.047 -12.192 189 HE2 LYS 875 HE2 LYS 875 -2.546 4.904 -13.187 190 HE3 LYS 875 HE1 LYS 875 -1.554 5.471 -11.854 191 HZ1 LYS 875 HZ1 LYS 875 -0.964 5.764 -14.754 192 HZ2 LYS 875 HZ2 LYS 875 0.079 6.289 -13.547 193 HZ3 LYS 875 HZ3 LYS 875 -1.452 6.972 -13.698 194 HA PRO 876 HA PRO 876 2.512 7.412 -7.249 195 HB2 PRO 876 HB2 PRO 876 2.387 9.866 -8.372 196 HB3 PRO 876 HB1 PRO 876 3.892 8.966 -8.249 197 HG2 PRO 876 HG2 PRO 876 2.071 9.322 -10.585 198 HG3 PRO 876 HG1 PRO 876 3.842 9.286 -10.545 199 HD2 PRO 876 HD2 PRO 876 2.322 7.167 -11.341 200 HD3 PRO 876 HD1 PRO 876 3.914 6.988 -10.599 201 H ASP 877 H ASP 877 1.128 9.127 -6.305 202 HA ASP 877 HA ASP 877 -1.547 8.755 -6.196 203 HB2 ASP 877 HB2 ASP 877 0.079 11.218 -5.774 204 HB3 ASP 877 HB1 ASP 877 -1.677 11.357 -5.787 205 H ASP 878 H ASP 878 -3.309 9.340 -7.203 206 HA ASP 878 HA ASP 878 -3.064 10.719 -9.820 207 HB2 ASP 878 HB2 ASP 878 -3.594 8.319 -10.036 208 HB3 ASP 878 HB1 ASP 878 -4.975 8.522 -8.969 209 H GLY 879 H GLY 879 -4.521 10.559 -6.755 210 HA2 GLY 879 HA2 GLY 879 -5.824 12.441 -5.935 211 HA3 GLY 879 HA1 GLY 879 -6.636 12.460 -7.508 212 H SER 880 H SER 880 -6.167 9.462 -7.271 213 HA SER 880 HA SER 880 -8.720 8.574 -6.664 214 HG SER 880 HG SER 880 -5.473 7.818 -6.158 215 HB2 SER 880 HB2 SER 880 -7.463 6.365 -6.746 216 HB3 SER 880 HB1 SER 880 -7.327 7.411 -8.171 217 HA PRO 881 HA PRO 881 -8.396 7.879 -2.199 218 HB2 PRO 881 HB2 PRO 881 -9.965 5.412 -2.588 219 HB3 PRO 881 HB1 PRO 881 -10.383 6.856 -1.661 220 HG2 PRO 881 HG2 PRO 881 -11.613 6.244 -3.973 221 HG3 PRO 881 HG1 PRO 881 -11.305 7.921 -3.486 222 HD2 PRO 881 HD2 PRO 881 -9.821 6.222 -5.457 223 HD3 PRO 881 HD1 PRO 881 -10.266 7.940 -5.539 224 H MET 882 H MET 882 -6.970 6.768 -0.990 225 HA MET 882 HA MET 882 -5.813 4.338 -2.139 226 HB2 MET 882 HB2 MET 882 -4.281 6.591 -0.794 227 HB3 MET 882 HB1 MET 882 -3.584 5.095 -1.403 228 HG2 MET 882 HG2 MET 882 -4.177 5.674 -3.659 229 HG3 MET 882 HG1 MET 882 -5.053 7.089 -3.102 230 HE1 MET 882 HE1 MET 882 -1.663 5.610 -4.204 231 HE2 MET 882 HE2 MET 882 -1.326 5.595 -2.467 232 HE3 MET 882 HE3 MET 882 -0.509 6.757 -3.540 233 H ILE 883 H ILE 883 -4.978 2.881 -0.634 234 HA ILE 883 HA ILE 883 -6.151 3.177 2.036 235 HB ILE 883 HB ILE 883 -7.473 1.552 0.628 236 HG12 ILE 883 HG12 ILE 883 -5.894 0.011 2.693 237 HG13 ILE 883 HG11 ILE 883 -7.151 1.171 3.121 238 HG21 ILE 883 HG21 ILE 883 -4.911 0.071 0.303 239 HG22 ILE 883 HG22 ILE 883 -5.847 0.882 -0.952 240 HG23 ILE 883 HG23 ILE 883 -6.506 -0.526 -0.131 241 HD11 ILE 883 HD11 ILE 883 -8.787 -0.166 1.901 242 HD12 ILE 883 HD12 ILE 883 -7.989 -1.108 3.161 243 HD13 ILE 883 HD13 ILE 883 -7.525 -1.321 1.474 244 H GLY 884 H GLY 884 -4.946 2.119 3.783 245 HA2 GLY 884 HA2 GLY 884 -2.114 1.804 3.059 246 HA3 GLY 884 HA1 GLY 884 -2.679 2.498 4.573 247 H CYS 885 H CYS 885 -0.951 0.171 3.947 248 HA CYS 885 HA CYS 885 -2.419 -2.170 4.776 249 HB2 CYS 885 HB2 CYS 885 -0.414 -2.356 3.323 250 HB3 CYS 885 HB1 CYS 885 0.579 -1.708 4.615 251 H ASP 886 H ASP 886 -2.140 -3.254 6.736 252 HA ASP 886 HA ASP 886 -1.604 -1.479 8.985 253 HB2 ASP 886 HB2 ASP 886 -2.952 -4.143 8.763 254 HB3 ASP 886 HB1 ASP 886 -2.424 -3.525 10.321 255 H ASP 887 H ASP 887 0.057 -3.726 7.166 256 HA ASP 887 HA ASP 887 1.639 -4.744 9.397 257 HB2 ASP 887 HB2 ASP 887 1.094 -6.230 7.463 258 HB3 ASP 887 HB1 ASP 887 2.037 -5.179 6.416 259 H CYS 888 H CYS 888 2.464 -3.110 6.338 260 HA CYS 888 HA CYS 888 4.825 -1.990 7.582 261 HB2 CYS 888 HB2 CYS 888 5.128 -1.271 5.091 262 HB3 CYS 888 HB1 CYS 888 5.348 -2.959 5.551 263 H ASP 889 H ASP 889 2.103 -1.009 5.739 264 HA ASP 889 HA ASP 889 0.701 0.770 5.740 265 HB2 ASP 889 HB2 ASP 889 0.631 1.072 8.103 266 HB3 ASP 889 HB1 ASP 889 2.256 1.752 8.130 267 H ASP 890 H ASP 890 1.511 1.006 3.716 268 HA ASP 890 HA ASP 890 2.432 3.741 3.452 269 HB2 ASP 890 HB2 ASP 890 4.194 1.983 2.706 270 HB3 ASP 890 HB1 ASP 890 3.081 1.637 1.381 271 H TRP 891 H TRP 891 1.719 4.271 0.851 272 HA TRP 891 HA TRP 891 -1.156 3.741 1.082 273 HD1 TRP 891 HD TRP 891 1.070 7.386 1.762 274 HE1 TRP 891 HE1 TRP 891 -0.107 8.434 3.790 275 HE3 TRP 891 HE3 TRP 891 -3.501 5.169 1.275 276 HZ2 TRP 891 HZ2 TRP 891 -2.655 8.322 5.033 277 HZ3 TRP 891 HZ3 TRP 891 -5.248 5.691 2.917 278 HH2 TRP 891 HH TRP 891 -4.830 7.229 4.758 279 HB2 TRP 891 HB2 TRP 891 0.283 6.014 -0.279 280 HB3 TRP 891 HB1 TRP 891 -1.441 5.717 -0.426 281 H TYR 892 H TYR 892 -2.128 2.455 -0.272 282 HA TYR 892 HA TYR 892 -0.964 1.986 -2.936 283 HD1 TYR 892 HD2 TYR 892 -1.076 0.333 0.659 284 HD2 TYR 892 HD1 TYR 892 0.065 -0.973 -3.210 285 HE1 TYR 892 HE2 TYR 892 0.968 -0.629 1.603 286 HE2 TYR 892 HE1 TYR 892 2.112 -1.956 -2.276 287 HH TYR 892 HH TYR 892 2.474 -2.592 0.848 288 HB2 TYR 892 HB2 TYR 892 -2.691 0.192 -1.212 289 HB3 TYR 892 HB1 TYR 892 -2.128 -0.191 -2.833 290 H HIS 893 H HIS 893 -2.488 1.887 -4.632 291 HA HIS 893 HA HIS 893 -4.717 3.717 -4.211 292 HD2 HIS 893 HD2 HIS 893 -4.048 6.080 -5.993 293 HE1 HIS 893 HE1 HIS 893 -0.442 5.012 -7.914 294 HE2 HIS 893 HE2 HIS 893 -1.897 6.906 -7.217 295 HB2 HIS 893 HB2 HIS 893 -3.994 2.213 -6.741 296 HB3 HIS 893 HB1 HIS 893 -5.217 3.460 -6.622 297 H TRP 894 H TRP 894 -6.888 3.289 -4.312 298 HA TRP 894 HA TRP 894 -7.812 0.888 -3.365 299 HD1 TRP 894 HD TRP 894 -7.667 2.138 -1.582 300 HE1 TRP 894 HE1 TRP 894 -8.995 2.691 0.569 301 HE3 TRP 894 HE3 TRP 894 -12.203 3.269 -3.651 302 HZ2 TRP 894 HZ2 TRP 894 -11.551 3.438 1.288 303 HZ3 TRP 894 HZ3 TRP 894 -14.046 3.910 -2.155 304 HH2 TRP 894 HH TRP 894 -13.725 4.002 0.273 305 HB2 TRP 894 HB2 TRP 894 -9.100 3.304 -4.485 306 HB3 TRP 894 HB1 TRP 894 -10.084 1.842 -4.461 307 HA PRO 895 HA PRO 895 -9.356 -0.589 -7.668 308 HB2 PRO 895 HB2 PRO 895 -8.205 0.480 -9.892 309 HB3 PRO 895 HB1 PRO 895 -9.709 1.088 -9.186 310 HG2 PRO 895 HG2 PRO 895 -6.911 2.108 -8.817 311 HG3 PRO 895 HG1 PRO 895 -8.397 3.027 -9.154 312 HD2 PRO 895 HD2 PRO 895 -7.383 2.863 -6.689 313 HD3 PRO 895 HD1 PRO 895 -9.136 2.824 -6.960 314 H CYS 896 H CYS 896 -6.116 0.033 -6.777 315 HA CYS 896 HA CYS 896 -4.914 -1.835 -8.618 316 HB2 CYS 896 HB2 CYS 896 -3.869 -0.359 -6.240 317 HB3 CYS 896 HB1 CYS 896 -2.870 -1.334 -7.302 318 H VAL 897 H VAL 897 -5.909 -1.729 -5.300 319 HA VAL 897 HA VAL 897 -4.847 -4.416 -4.971 320 HB VAL 897 HB VAL 897 -5.117 -4.015 -2.500 321 HG11 VAL 897 HG11 VAL 897 -2.974 -3.598 -3.649 322 HG12 VAL 897 HG12 VAL 897 -3.228 -2.438 -2.344 323 HG13 VAL 897 HG13 VAL 897 -3.496 -1.956 -4.018 324 HG21 VAL 897 HG21 VAL 897 -6.843 -2.391 -2.561 325 HG22 VAL 897 HG22 VAL 897 -5.817 -1.277 -3.481 326 HG23 VAL 897 HG23 VAL 897 -5.421 -1.664 -1.800 327 H GLY 898 H GLY 898 -7.655 -2.823 -5.602 328 HA2 GLY 898 HA2 GLY 898 -9.597 -4.038 -6.245 329 HA3 GLY 898 HA1 GLY 898 -9.098 -5.293 -5.111 330 H ILE 899 H ILE 899 -9.735 -1.798 -4.838 331 HA ILE 899 HA ILE 899 -11.702 -2.376 -2.717 332 HB ILE 899 HB ILE 899 -9.914 0.052 -2.810 333 HG12 ILE 899 HG12 ILE 899 -8.651 -2.100 -2.536 334 HG13 ILE 899 HG11 ILE 899 -8.363 -0.888 -1.283 335 HG21 ILE 899 HG21 ILE 899 -11.957 0.279 -1.565 336 HG22 ILE 899 HG22 ILE 899 -10.579 0.256 -0.458 337 HG23 ILE 899 HG23 ILE 899 -11.578 -1.188 -0.662 338 HD11 ILE 899 HD11 ILE 899 -9.878 -2.148 0.162 339 HD12 ILE 899 HD12 ILE 899 -8.477 -3.088 -0.342 340 HD13 ILE 899 HD13 ILE 899 -10.059 -3.382 -1.096 341 H MET 900 H MET 900 -13.649 -1.516 -3.357 342 HA MET 900 HA MET 900 -13.572 0.987 -4.897 343 HB2 MET 900 HB2 MET 900 -15.528 -1.296 -5.283 344 HB3 MET 900 HB1 MET 900 -15.647 0.273 -6.069 345 HG2 MET 900 HG2 MET 900 -13.466 -0.108 -7.134 346 HG3 MET 900 HG1 MET 900 -13.383 -1.689 -6.379 347 HE1 MET 900 HE1 MET 900 -15.156 0.551 -9.051 348 HE2 MET 900 HE2 MET 900 -16.519 0.101 -8.019 349 HE3 MET 900 HE3 MET 900 -16.408 -0.529 -9.661 350 H ALA 901 H ALA 901 -14.059 -0.108 -2.066 351 HA ALA 901 HA ALA 901 -15.510 2.034 -1.010 352 HB1 ALA 901 HB1 ALA 901 -17.330 0.628 0.018 353 HB2 ALA 901 HB2 ALA 901 -16.847 -0.694 -1.044 354 HB3 ALA 901 HB3 ALA 901 -17.512 0.787 -1.732 355 H ALA 902 H ALA 902 -15.068 1.955 1.338 356 HA ALA 902 HA ALA 902 -12.666 0.654 1.937 357 HB1 ALA 902 HB1 ALA 902 -13.280 2.867 2.807 358 HB2 ALA 902 HB2 ALA 902 -12.838 1.745 4.095 359 HB3 ALA 902 HB3 ALA 902 -14.534 2.118 3.793 360 HA PRO 903 HA PRO 903 -14.669 -2.971 3.691 361 HB2 PRO 903 HB2 PRO 903 -13.230 -4.754 2.517 362 HB3 PRO 903 HB1 PRO 903 -14.350 -3.717 1.607 363 HG2 PRO 903 HG2 PRO 903 -11.343 -3.557 1.812 364 HG3 PRO 903 HG1 PRO 903 -12.367 -3.238 0.400 365 HD2 PRO 903 HD2 PRO 903 -11.436 -1.081 2.153 366 HD3 PRO 903 HD1 PRO 903 -12.681 -1.118 0.959 367 HA PRO 904 HA PRO 904 -11.417 -4.366 6.507 368 HB2 PRO 904 HB2 PRO 904 -13.097 -4.964 8.514 369 HB3 PRO 904 HB1 PRO 904 -12.412 -3.356 8.308 370 HG2 PRO 904 HG2 PRO 904 -15.196 -4.185 7.961 371 HG3 PRO 904 HG1 PRO 904 -14.535 -2.546 7.937 372 HD2 PRO 904 HD2 PRO 904 -15.227 -4.289 5.642 373 HD3 PRO 904 HD1 PRO 904 -14.890 -2.552 5.657 374 H GLU 905 H GLU 905 -10.948 -6.526 6.889 375 HA GLU 905 HA GLU 905 -12.548 -8.568 5.665 376 HB2 GLU 905 HB2 GLU 905 -10.345 -8.785 7.736 377 HB3 GLU 905 HB1 GLU 905 -11.014 -10.134 6.839 378 HG2 GLU 905 HG2 GLU 905 -9.582 -7.797 5.617 379 HG3 GLU 905 HG1 GLU 905 -8.844 -9.353 6.001 380 H GLU 906 H GLU 906 -11.908 -7.439 8.817 381 HA GLU 906 HA GLU 906 -13.864 -7.493 10.441 382 HB2 GLU 906 HB2 GLU 906 -14.073 -9.683 11.473 383 HB3 GLU 906 HB1 GLU 906 -14.393 -9.789 9.733 384 HG2 GLU 906 HG2 GLU 906 -12.251 -10.758 9.320 385 HG3 GLU 906 HG1 GLU 906 -11.779 -10.554 11.003 386 H MET 907 H MET 907 -10.834 -8.057 9.410 387 HA MET 907 HA MET 907 -9.489 -7.624 11.925 388 HB2 MET 907 HB2 MET 907 -9.397 -10.030 11.257 389 HB3 MET 907 HB1 MET 907 -8.777 -9.558 9.689 390 HG2 MET 907 HG2 MET 907 -6.779 -8.618 10.858 391 HG3 MET 907 HG1 MET 907 -7.415 -9.309 12.350 392 HE1 MET 907 HE1 MET 907 -4.410 -11.674 11.498 393 HE2 MET 907 HE2 MET 907 -5.125 -10.594 12.698 394 HE3 MET 907 HE3 MET 907 -4.491 -9.943 11.188 395 H GLN 908 H GLN 908 -7.262 -6.770 11.302 396 HA GLN 908 HA GLN 908 -7.057 -4.563 9.781 397 HB2 GLN 908 HB2 GLN 908 -4.981 -6.626 10.433 398 HB3 GLN 908 HB1 GLN 908 -4.606 -5.050 9.749 399 HG2 GLN 908 HG2 GLN 908 -5.452 -3.936 11.661 400 HG3 GLN 908 HG1 GLN 908 -6.101 -5.439 12.319 401 HE21 GLN 908 HE21 GLN 908 -2.964 -5.275 10.824 402 HE22 GLN 908 HE22 GLN 908 -2.050 -5.470 12.271 403 H TRP 909 H TRP 909 -5.842 -4.098 7.861 404 HA TRP 909 HA TRP 909 -6.415 -6.031 5.708 405 HD1 TRP 909 HD TRP 909 -8.299 -5.243 3.140 406 HE1 TRP 909 HE1 TRP 909 -7.406 -4.823 0.736 407 HE3 TRP 909 HE3 TRP 909 -4.302 -2.289 4.229 408 HZ2 TRP 909 HZ2 TRP 909 -5.310 -3.428 -0.498 409 HZ3 TRP 909 HZ3 TRP 909 -2.892 -1.455 2.392 410 HH2 TRP 909 HH TRP 909 -3.384 -2.003 0.080 411 HB2 TRP 909 HB2 TRP 909 -7.794 -4.006 5.490 412 HB3 TRP 909 HB1 TRP 909 -6.362 -2.994 5.576 413 H PHE 910 H PHE 910 -4.826 -6.526 4.298 414 HA PHE 910 HA PHE 910 -2.242 -5.243 4.742 415 HD1 PHE 910 HD1 PHE 910 -0.882 -6.084 6.767 416 HD2 PHE 910 HD2 PHE 910 -3.846 -9.051 6.131 417 HE1 PHE 910 HE1 PHE 910 -1.198 -6.283 9.213 418 HE2 PHE 910 HE2 PHE 910 -4.173 -9.257 8.571 419 HZ PHE 910 HZ PHE 910 -2.851 -7.857 10.101 420 HB2 PHE 910 HB2 PHE 910 -2.680 -8.217 4.319 421 HB3 PHE 910 HB1 PHE 910 -1.130 -7.417 4.575 422 H CYS 911 H CYS 911 -1.099 -4.814 3.001 423 HA CYS 911 HA CYS 911 -2.391 -4.620 0.484 424 HB2 CYS 911 HB2 CYS 911 -0.225 -3.696 -0.261 425 HB3 CYS 911 HB1 CYS 911 -0.765 -2.978 1.248 426 HA PRO 912 HA PRO 912 -1.255 -8.299 -1.829 427 HB2 PRO 912 HB2 PRO 912 0.191 -7.119 -3.922 428 HB3 PRO 912 HB1 PRO 912 -1.554 -7.380 -3.904 429 HG2 PRO 912 HG2 PRO 912 0.000 -4.927 -3.202 430 HG3 PRO 912 HG1 PRO 912 -1.528 -5.062 -4.090 431 HD2 PRO 912 HD2 PRO 912 -1.576 -4.283 -1.585 432 HD3 PRO 912 HD1 PRO 912 -2.757 -5.483 -2.138 433 H LYS 913 H LYS 913 1.178 -5.989 -0.901 434 HA LYS 913 HA LYS 913 3.463 -7.536 -1.597 435 HB2 LYS 913 HB2 LYS 913 3.186 -5.408 0.527 436 HB3 LYS 913 HB1 LYS 913 4.688 -5.977 -0.175 437 HG2 LYS 913 HG2 LYS 913 2.514 -4.513 -1.675 438 HG3 LYS 913 HG1 LYS 913 3.971 -3.783 -1.017 439 HD2 LYS 913 HD2 LYS 913 3.872 -5.906 -3.167 440 HD3 LYS 913 HD1 LYS 913 4.172 -4.188 -3.424 441 HE2 LYS 913 HE2 LYS 913 6.158 -4.423 -1.884 442 HE3 LYS 913 HE1 LYS 913 5.886 -6.160 -1.948 443 HZ1 LYS 913 HZ1 LYS 913 7.534 -5.579 -3.574 444 HZ2 LYS 913 HZ2 LYS 913 6.572 -4.381 -4.205 445 HZ3 LYS 913 HZ3 LYS 913 6.129 -5.984 -4.421 446 H CYS 914 H CYS 914 1.544 -7.048 1.336 447 HA CYS 914 HA CYS 914 3.083 -9.026 2.762 448 HB2 CYS 914 HB2 CYS 914 0.769 -7.306 3.630 449 HB3 CYS 914 HB1 CYS 914 1.703 -8.358 4.693 450 H ALA 915 H ALA 915 0.022 -8.766 1.172 451 HA ALA 915 HA ALA 915 -1.098 -11.125 2.280 452 HB1 ALA 915 HB1 ALA 915 -2.743 -10.968 0.486 453 HB2 ALA 915 HB2 ALA 915 -1.764 -9.738 -0.320 454 HB3 ALA 915 HB3 ALA 915 -2.491 -9.405 1.257 455 H ASN 916 H ASN 916 1.139 -10.502 -0.280 456 HA ASN 916 HA ASN 916 0.976 -13.101 -1.478 457 HB2 ASN 916 HB2 ASN 916 1.834 -11.049 -2.652 458 HB3 ASN 916 HB1 ASN 916 3.250 -11.112 -1.615 459 HD21 ASN 916 HD21 ASN 916 1.620 -13.897 -3.085 460 HD22 ASN 916 HD22 ASN 916 2.921 -14.296 -4.133 461 H LYS 917 H LYS 917 2.354 -11.872 1.364 462 HA LYS 917 HA LYS 917 4.488 -13.769 1.659 463 HB2 LYS 917 HB2 LYS 917 2.939 -12.226 3.760 464 HB3 LYS 917 HB1 LYS 917 4.420 -13.120 4.053 465 HG2 LYS 917 HG2 LYS 917 5.695 -11.574 2.756 466 HG3 LYS 917 HG1 LYS 917 4.233 -10.775 2.172 467 HD2 LYS 917 HD2 LYS 917 3.702 -10.101 4.492 468 HD3 LYS 917 HD1 LYS 917 5.179 -10.877 5.041 469 HE2 LYS 917 HE2 LYS 917 6.538 -9.327 3.829 470 HE3 LYS 917 HE1 LYS 917 5.135 -8.633 3.025 471 HZ1 LYS 917 HZ1 LYS 917 5.995 -7.297 4.911 472 HZ2 LYS 917 HZ2 LYS 917 5.549 -8.508 5.983 473 HZ3 LYS 917 HZ3 LYS 917 4.382 -7.698 5.057 474 H ILE 918 H ILE 918 1.085 -13.641 2.228 475 HA ILE 918 HA ILE 918 1.061 -16.173 3.661 476 HB ILE 918 HB ILE 918 -1.212 -14.301 2.958 477 HG12 ILE 918 HG12 ILE 918 0.317 -14.696 5.542 478 HG13 ILE 918 HG11 ILE 918 0.364 -13.281 4.512 479 HG21 ILE 918 HG21 ILE 918 -1.962 -16.614 3.229 480 HG22 ILE 918 HG22 ILE 918 -2.531 -15.593 4.548 481 HG23 ILE 918 HG23 ILE 918 -1.176 -16.694 4.809 482 HD11 ILE 918 HD11 ILE 918 -2.030 -14.253 6.055 483 HD12 ILE 918 HD12 ILE 918 -1.995 -12.845 4.997 484 HD13 ILE 918 HD13 ILE 918 -1.012 -12.871 6.461 485 H LYS 919 H LYS 919 -0.644 -14.730 0.859 486 HA LYS 919 HA LYS 919 -1.233 -17.404 -0.108 487 HB2 LYS 919 HB2 LYS 919 -2.226 -14.692 -0.962 488 HB3 LYS 919 HB1 LYS 919 -2.731 -16.220 -1.661 489 HG2 LYS 919 HG2 LYS 919 -3.143 -15.388 1.201 490 HG3 LYS 919 HG1 LYS 919 -4.352 -15.302 -0.092 491 HD2 LYS 919 HD2 LYS 919 -4.226 -17.739 -0.345 492 HD3 LYS 919 HD1 LYS 919 -3.026 -17.806 0.939 493 HE2 LYS 919 HE2 LYS 919 -5.267 -18.392 1.759 494 HE3 LYS 919 HE1 LYS 919 -4.627 -16.956 2.549 495 HZ1 LYS 919 HZ1 LYS 919 -6.595 -16.922 0.306 496 HZ2 LYS 919 HZ2 LYS 919 -6.026 -15.582 1.172 497 HZ3 LYS 919 HZ3 LYS 919 -6.957 -16.714 1.940 498 H LYS 920 H LYS 920 -0.680 -18.019 -2.146 499 HA LYS 920 HA LYS 920 1.278 -16.341 -3.502 500 HB2 LYS 920 HB2 LYS 920 1.365 -19.291 -2.980 501 HB3 LYS 920 HB1 LYS 920 2.262 -18.553 -4.288 502 HG2 LYS 920 HG2 LYS 920 2.561 -17.830 -1.374 503 HG3 LYS 920 HG1 LYS 920 3.610 -18.966 -2.230 504 HD2 LYS 920 HD2 LYS 920 4.171 -17.106 -3.821 505 HD3 LYS 920 HD1 LYS 920 3.252 -16.016 -2.785 506 HE2 LYS 920 HE2 LYS 920 5.673 -17.618 -1.943 507 HE3 LYS 920 HE1 LYS 920 5.657 -15.901 -2.335 508 HZ1 LYS 920 HZ1 LYS 920 5.596 -16.279 0.032 509 HZ2 LYS 920 HZ2 LYS 920 4.203 -17.188 -0.088 510 HZ3 LYS 920 HZ3 LYS 920 4.163 -15.533 -0.469 511 H ASP 921 H ASP 921 -0.476 -15.588 -4.791 512 HA ASP 921 HA ASP 921 -1.250 -17.569 -6.835 513 HB2 ASP 921 HB2 ASP 921 -3.076 -16.198 -7.497 514 HB3 ASP 921 HB1 ASP 921 -3.057 -16.023 -5.755 515 H LYS 922 H LYS 922 0.852 -15.158 -6.070 516 HA LYS 922 HA LYS 922 1.953 -15.064 -8.753 517 HB2 LYS 922 HB2 LYS 922 1.493 -12.631 -6.986 518 HB3 LYS 922 HB1 LYS 922 2.440 -12.631 -8.461 519 HG2 LYS 922 HG2 LYS 922 0.426 -13.163 -9.751 520 HG3 LYS 922 HG1 LYS 922 -0.519 -13.174 -8.263 521 HD2 LYS 922 HD2 LYS 922 0.078 -10.807 -7.896 522 HD3 LYS 922 HD1 LYS 922 0.975 -10.814 -9.413 523 HE2 LYS 922 HE2 LYS 922 -1.191 -9.824 -9.784 524 HE3 LYS 922 HE1 LYS 922 -1.125 -11.377 -10.605 525 HZ1 LYS 922 HZ1 LYS 922 -3.222 -11.134 -9.497 526 HZ2 LYS 922 HZ2 LYS 922 -2.489 -10.785 -8.035 527 HZ3 LYS 922 HZ3 LYS 922 -2.367 -12.335 -8.664 528 H LYS 923 H LYS 923 4.226 -14.533 -8.633 529 HA LYS 923 HA LYS 923 5.450 -14.280 -6.033 530 HB2 LYS 923 HB2 LYS 923 7.082 -16.194 -6.499 531 HB3 LYS 923 HB1 LYS 923 5.458 -16.640 -6.021 532 HG2 LYS 923 HG2 LYS 923 6.115 -18.153 -7.732 533 HG3 LYS 923 HG1 LYS 923 4.961 -17.032 -8.448 534 HD2 LYS 923 HD2 LYS 923 6.763 -15.823 -9.525 535 HD3 LYS 923 HD1 LYS 923 7.960 -16.855 -8.735 536 HE2 LYS 923 HE2 LYS 923 7.011 -18.810 -9.882 537 HE3 LYS 923 HE1 LYS 923 5.841 -17.770 -10.684 538 HZ1 LYS 923 HZ1 LYS 923 7.716 -18.288 -12.103 539 HZ2 LYS 923 HZ2 LYS 923 8.796 -17.626 -11.018 540 HZ3 LYS 923 HZ3 LYS 923 7.670 -16.637 -11.792 541 H HIS 924 H HIS 924 5.171 -13.067 -8.834 542 HA HIS 924 HA HIS 924 7.730 -11.816 -8.868 543 HD1 HIS 924 HD1 HIS 924 6.906 -11.457 -12.929 544 HD2 HIS 924 HD2 HIS 924 10.441 -12.182 -10.874 545 HE1 HIS 924 HE1 HIS 924 8.667 -10.154 -14.138 546 HE2 HIS 924 HE2 HIS 924 10.690 -10.360 -12.680 547 HB2 HIS 924 HB2 HIS 924 8.182 -13.797 -10.291 548 HB3 HIS 924 HB1 HIS 924 6.757 -13.441 -11.247 Start of MODEL 11 1 H1 GLY 850 HT1 GLY 850 27.671 6.826 -5.670 2 H2 GLY 850 HT2 GLY 850 27.301 5.833 -6.960 3 H3 GLY 850 HT3 GLY 850 28.293 5.251 -5.709 4 HA2 GLY 850 HA1 GLY 850 26.104 4.343 -5.506 5 HA3 GLY 850 HA2 GLY 850 26.430 5.471 -4.188 6 H SER 851 H SER 851 24.175 5.768 -3.940 7 HA SER 851 HA SER 851 23.171 7.949 -5.443 8 HG SER 851 HG SER 851 20.960 7.453 -7.179 9 HB2 SER 851 HB2 SER 851 22.621 6.129 -7.020 10 HB3 SER 851 HB1 SER 851 21.826 5.241 -5.729 11 H HIS 852 H HIS 852 21.239 8.735 -4.462 12 HA HIS 852 HA HIS 852 20.930 8.161 -1.671 13 HD2 HIS 852 HD2 HIS 852 17.176 8.960 -1.271 14 HE1 HIS 852 HE1 HIS 852 18.691 12.117 1.114 15 HE2 HIS 852 HE2 HIS 852 16.951 10.328 0.944 16 HB2 HIS 852 HB2 HIS 852 20.524 10.419 -2.842 17 HB3 HIS 852 HB1 HIS 852 19.049 9.724 -3.480 18 H MET 853 H MET 853 19.796 6.992 -4.647 19 HA MET 853 HA MET 853 18.461 5.355 -5.337 20 HB2 MET 853 HB2 MET 853 18.447 4.555 -2.422 21 HB3 MET 853 HB1 MET 853 17.711 3.591 -3.692 22 HG2 MET 853 HG2 MET 853 19.934 3.426 -4.782 23 HG3 MET 853 HG1 MET 853 20.629 4.290 -3.415 24 HE1 MET 853 HE1 MET 853 18.924 3.031 -0.962 25 HE2 MET 853 HE2 MET 853 20.659 3.338 -0.937 26 HE3 MET 853 HE3 MET 853 20.039 1.754 -0.474 27 H ALA 854 H ALA 854 17.411 7.887 -4.728 28 HA ALA 854 HA ALA 854 14.776 7.508 -3.678 29 HB1 ALA 854 HB1 ALA 854 14.406 9.852 -4.307 30 HB2 ALA 854 HB2 ALA 854 15.937 9.870 -5.179 31 HB3 ALA 854 HB3 ALA 854 15.924 9.677 -3.427 32 H MET 855 H MET 855 14.502 5.730 -5.064 33 HA MET 855 HA MET 855 13.074 6.375 -7.557 34 HB2 MET 855 HB2 MET 855 14.928 4.003 -7.102 35 HB3 MET 855 HB1 MET 855 13.998 4.298 -8.557 36 HG2 MET 855 HG2 MET 855 15.346 6.266 -9.044 37 HG3 MET 855 HG1 MET 855 16.229 6.049 -7.538 38 HE1 MET 855 HE1 MET 855 18.167 2.671 -8.253 39 HE2 MET 855 HE2 MET 855 16.565 2.789 -7.536 40 HE3 MET 855 HE3 MET 855 17.829 3.926 -7.060 41 H ALA 856 H ALA 856 12.568 5.910 -4.700 42 HA ALA 856 HA ALA 856 11.393 3.247 -4.596 43 HB1 ALA 856 HB1 ALA 856 11.222 3.613 -2.203 44 HB2 ALA 856 HB2 ALA 856 11.821 5.263 -2.387 45 HB3 ALA 856 HB3 ALA 856 12.873 3.891 -2.752 46 H TYR 857 H TYR 857 9.343 3.473 -2.945 47 HA TYR 857 HA TYR 857 7.403 4.817 -4.622 48 HD1 TYR 857 HD2 TYR 857 6.178 2.688 -5.818 49 HD2 TYR 857 HD1 TYR 857 8.304 1.129 -2.488 50 HE1 TYR 857 HE2 TYR 857 6.806 0.705 -7.146 51 HE2 TYR 857 HE1 TYR 857 8.940 -0.833 -3.794 52 HH TYR 857 HH TYR 857 8.691 -1.001 -7.100 53 HB2 TYR 857 HB2 TYR 857 7.002 3.042 -2.210 54 HB3 TYR 857 HB1 TYR 857 5.781 3.481 -3.402 55 H VAL 858 H VAL 858 9.266 6.157 -2.662 56 HA VAL 858 HA VAL 858 7.257 7.775 -1.293 57 HB VAL 858 HB VAL 858 9.911 6.946 -0.064 58 HG11 VAL 858 HG11 VAL 858 9.131 8.124 1.938 59 HG12 VAL 858 HG12 VAL 858 7.695 8.646 1.061 60 HG13 VAL 858 HG13 VAL 858 9.287 9.211 0.557 61 HG21 VAL 858 HG21 VAL 858 8.312 5.114 0.018 62 HG22 VAL 858 HG22 VAL 858 7.102 6.188 0.712 63 HG23 VAL 858 HG23 VAL 858 8.554 5.789 1.631 64 H ILE 859 H ILE 859 7.381 9.726 -1.975 65 HA ILE 859 HA ILE 859 9.981 10.954 -2.591 66 HB ILE 859 HB ILE 859 7.282 11.604 -3.905 67 HG12 ILE 859 HG12 ILE 859 9.655 10.165 -5.119 68 HG13 ILE 859 HG11 ILE 859 8.144 9.402 -4.631 69 HG21 ILE 859 HG21 ILE 859 10.043 12.636 -4.555 70 HG22 ILE 859 HG22 ILE 859 8.747 13.540 -3.776 71 HG23 ILE 859 HG23 ILE 859 8.565 13.004 -5.445 72 HD11 ILE 859 HD11 ILE 859 8.241 9.751 -7.045 73 HD12 ILE 859 HD12 ILE 859 8.470 11.482 -6.792 74 HD13 ILE 859 HD13 ILE 859 6.953 10.715 -6.321 75 H ARG 860 H ARG 860 9.959 13.284 -1.848 76 HA ARG 860 HA ARG 860 8.122 13.489 0.371 77 HE ARG 860 HE ARG 860 10.803 16.263 2.243 78 HB2 ARG 860 HB2 ARG 860 10.583 15.118 -0.247 79 HB3 ARG 860 HB1 ARG 860 9.457 15.455 1.064 80 HG2 ARG 860 HG2 ARG 860 9.921 13.334 2.087 81 HG3 ARG 860 HG1 ARG 860 11.005 12.903 0.763 82 HD2 ARG 860 HD2 ARG 860 12.168 13.727 2.798 83 HD3 ARG 860 HD1 ARG 860 12.513 14.683 1.354 84 HH11 ARG 860 HH11 ARG 860 12.648 14.197 4.477 85 HH12 ARG 860 HH12 ARG 860 12.492 15.286 5.775 86 HH21 ARG 860 HH21 ARG 860 10.643 17.744 4.062 87 HH22 ARG 860 HH22 ARG 860 11.331 17.295 5.549 88 H ASP 861 H ASP 861 6.467 14.570 0.348 89 HA ASP 861 HA ASP 861 5.634 16.365 -1.693 90 HB2 ASP 861 HB2 ASP 861 3.937 15.188 -0.526 91 HB3 ASP 861 HB1 ASP 861 4.662 15.621 1.037 92 H GLU 862 H GLU 862 4.859 18.549 -0.931 93 HA GLU 862 HA GLU 862 7.168 20.086 -0.285 94 HB2 GLU 862 HB2 GLU 862 5.684 22.066 -0.385 95 HB3 GLU 862 HB1 GLU 862 5.620 21.044 -1.811 96 HG2 GLU 862 HG2 GLU 862 3.507 20.123 -1.099 97 HG3 GLU 862 HG1 GLU 862 3.588 21.045 0.403 98 H TRP 863 H TRP 863 4.463 18.956 1.610 99 HA TRP 863 HA TRP 863 5.234 20.603 3.876 100 HD1 TRP 863 HD TRP 863 3.526 17.780 6.340 101 HE1 TRP 863 HE1 TRP 863 2.695 19.014 8.448 102 HE3 TRP 863 HE3 TRP 863 2.416 22.308 4.255 103 HZ2 TRP 863 HZ2 TRP 863 1.705 21.561 9.127 104 HZ3 TRP 863 HZ3 TRP 863 1.533 24.086 5.698 105 HH2 TRP 863 HH TRP 863 1.191 23.718 8.082 106 HB2 TRP 863 HB2 TRP 863 2.832 20.009 3.306 107 HB3 TRP 863 HB1 TRP 863 3.217 18.348 3.717 108 H GLY 864 H GLY 864 6.165 17.790 2.402 109 HA2 GLY 864 HA2 GLY 864 7.965 16.455 3.041 110 HA3 GLY 864 HA1 GLY 864 7.710 16.860 4.719 111 H ASN 865 H ASN 865 4.887 16.065 2.972 112 HA ASN 865 HA ASN 865 4.482 13.668 4.471 113 HB2 ASN 865 HB2 ASN 865 2.965 14.635 2.012 114 HB3 ASN 865 HB1 ASN 865 2.488 13.289 3.024 115 HD21 ASN 865 HD21 ASN 865 2.526 16.731 2.642 116 HD22 ASN 865 HD22 ASN 865 1.545 17.076 3.999 117 H GLN 866 H GLN 866 4.403 11.561 3.662 118 HA GLN 866 HA GLN 866 6.344 10.989 1.623 119 HB2 GLN 866 HB2 GLN 866 4.515 9.163 3.189 120 HB3 GLN 866 HB1 GLN 866 5.742 8.605 2.061 121 HG2 GLN 866 HG2 GLN 866 7.468 9.576 3.409 122 HG3 GLN 866 HG1 GLN 866 6.254 10.256 4.483 123 HE21 GLN 866 HE21 GLN 866 6.043 7.019 3.112 124 HE22 GLN 866 HE22 GLN 866 6.330 6.149 4.554 125 H ILE 867 H ILE 867 5.879 11.101 -0.302 126 HA ILE 867 HA ILE 867 3.258 11.295 -1.283 127 HB ILE 867 HB ILE 867 5.849 10.968 -2.731 128 HG12 ILE 867 HG12 ILE 867 5.320 13.087 -1.612 129 HG13 ILE 867 HG11 ILE 867 5.491 13.301 -3.367 130 HG21 ILE 867 HG21 ILE 867 3.125 11.283 -4.034 131 HG22 ILE 867 HG22 ILE 867 4.164 9.865 -4.144 132 HG23 ILE 867 HG23 ILE 867 4.672 11.387 -4.876 133 HD11 ILE 867 HD11 ILE 867 3.621 14.604 -2.616 134 HD12 ILE 867 HD12 ILE 867 2.970 13.246 -1.710 135 HD13 ILE 867 HD13 ILE 867 2.966 13.197 -3.471 136 H TRP 868 H TRP 868 1.958 10.046 -1.437 137 HA TRP 868 HA TRP 868 1.910 7.312 -1.085 138 HD1 TRP 868 HD TRP 868 0.248 10.746 -3.326 139 HE1 TRP 868 HE1 TRP 868 -0.267 12.958 -2.126 140 HE3 TRP 868 HE3 TRP 868 -0.622 8.920 1.324 141 HZ2 TRP 868 HZ2 TRP 868 -0.970 13.813 0.476 142 HZ3 TRP 868 HZ3 TRP 868 -1.215 10.487 3.131 143 HH2 TRP 868 HH TRP 868 -1.381 12.884 2.711 144 HB2 TRP 868 HB2 TRP 868 -0.396 8.126 -2.547 145 HB3 TRP 868 HB1 TRP 868 -0.254 7.831 -0.818 146 H ILE 869 H ILE 869 2.991 6.041 -2.430 147 HA ILE 869 HA ILE 869 2.148 6.005 -5.219 148 HB ILE 869 HB ILE 869 4.964 5.454 -4.187 149 HG12 ILE 869 HG12 ILE 869 3.900 7.479 -6.155 150 HG13 ILE 869 HG11 ILE 869 4.549 7.829 -4.551 151 HG21 ILE 869 HG21 ILE 869 4.331 3.767 -5.846 152 HG22 ILE 869 HG22 ILE 869 5.572 4.848 -6.485 153 HG23 ILE 869 HG23 ILE 869 3.894 5.040 -6.988 154 HD11 ILE 869 HD11 ILE 869 6.764 7.061 -5.360 155 HD12 ILE 869 HD12 ILE 869 6.109 8.425 -6.280 156 HD13 ILE 869 HD13 ILE 869 6.029 6.802 -6.950 157 H CYS 870 H CYS 870 1.439 4.165 -5.889 158 HA CYS 870 HA CYS 870 1.027 2.065 -3.966 159 HB2 CYS 870 HB2 CYS 870 -0.794 2.957 -5.353 160 HB3 CYS 870 HB1 CYS 870 0.087 2.534 -6.802 161 HA PRO 871 HA PRO 871 4.814 0.105 -5.616 162 HB2 PRO 871 HB2 PRO 871 3.769 -2.047 -3.838 163 HB3 PRO 871 HB1 PRO 871 5.396 -1.367 -3.941 164 HG2 PRO 871 HG2 PRO 871 3.795 -0.723 -1.919 165 HG3 PRO 871 HG1 PRO 871 4.843 0.493 -2.675 166 HD2 PRO 871 HD2 PRO 871 1.884 0.095 -2.993 167 HD3 PRO 871 HD1 PRO 871 2.840 1.588 -2.916 168 H GLY 872 H GLY 872 1.540 -1.007 -5.686 169 HA2 GLY 872 HA2 GLY 872 1.938 -3.457 -7.073 170 HA3 GLY 872 HA1 GLY 872 0.422 -2.586 -6.939 171 H CYS 873 H CYS 873 1.378 -0.139 -8.180 172 HA CYS 873 HA CYS 873 1.607 -1.088 -10.972 173 HB2 CYS 873 HB2 CYS 873 0.368 1.028 -11.451 174 HB3 CYS 873 HB1 CYS 873 -0.541 -0.155 -10.502 175 H ASN 874 H ASN 874 2.974 0.748 -8.473 176 HA ASN 874 HA ASN 874 4.834 1.945 -8.192 177 HB2 ASN 874 HB2 ASN 874 5.910 0.418 -9.885 178 HB3 ASN 874 HB1 ASN 874 5.401 1.507 -11.157 179 HD21 ASN 874 HD21 ASN 874 6.641 2.608 -8.054 180 HD22 ASN 874 HD22 ASN 874 8.113 3.250 -8.636 181 H LYS 875 H LYS 875 2.201 2.990 -9.023 182 HA LYS 875 HA LYS 875 3.077 5.528 -10.180 183 HB2 LYS 875 HB2 LYS 875 0.310 4.320 -10.234 184 HB3 LYS 875 HB1 LYS 875 0.834 5.843 -10.967 185 HG2 LYS 875 HG2 LYS 875 2.245 4.711 -12.511 186 HG3 LYS 875 HG1 LYS 875 1.988 3.172 -11.693 187 HD2 LYS 875 HD2 LYS 875 -0.398 3.273 -12.308 188 HD3 LYS 875 HD1 LYS 875 -0.094 4.781 -13.176 189 HE2 LYS 875 HE2 LYS 875 -0.136 2.880 -14.705 190 HE3 LYS 875 HE1 LYS 875 1.457 3.625 -14.667 191 HZ1 LYS 875 HZ1 LYS 875 0.638 1.118 -13.302 192 HZ2 LYS 875 HZ2 LYS 875 2.161 1.822 -13.121 193 HZ3 LYS 875 HZ3 LYS 875 1.679 1.245 -14.611 194 HA PRO 876 HA PRO 876 1.922 7.567 -6.340 195 HB2 PRO 876 HB2 PRO 876 1.948 10.096 -7.291 196 HB3 PRO 876 HB1 PRO 876 3.436 9.206 -6.981 197 HG2 PRO 876 HG2 PRO 876 2.000 9.657 -9.556 198 HG3 PRO 876 HG1 PRO 876 3.741 9.730 -9.220 199 HD2 PRO 876 HD2 PRO 876 2.581 7.578 -10.393 200 HD3 PRO 876 HD1 PRO 876 3.974 7.425 -9.331 201 H ASP 877 H ASP 877 0.376 9.219 -5.611 202 HA ASP 877 HA ASP 877 -2.276 8.654 -6.396 203 HB2 ASP 877 HB2 ASP 877 -1.808 9.417 -4.128 204 HB3 ASP 877 HB1 ASP 877 -1.191 10.940 -4.753 205 H ASP 878 H ASP 878 -3.634 9.649 -7.673 206 HA ASP 878 HA ASP 878 -2.728 12.006 -9.205 207 HB2 ASP 878 HB2 ASP 878 -2.675 9.919 -10.548 208 HB3 ASP 878 HB1 ASP 878 -4.339 9.590 -10.119 209 H GLY 879 H GLY 879 -4.281 11.773 -6.706 210 HA2 GLY 879 HA2 GLY 879 -6.188 12.716 -5.809 211 HA3 GLY 879 HA1 GLY 879 -6.742 13.111 -7.452 212 H SER 880 H SER 880 -5.804 10.241 -5.708 213 HA SER 880 HA SER 880 -8.076 8.868 -6.909 214 HG SER 880 HG SER 880 -4.809 8.623 -5.820 215 HB2 SER 880 HB2 SER 880 -6.372 6.933 -6.901 216 HB3 SER 880 HB1 SER 880 -6.294 8.160 -8.173 217 HA PRO 881 HA PRO 881 -8.813 7.349 -2.808 218 HB2 PRO 881 HB2 PRO 881 -10.083 4.997 -3.395 219 HB3 PRO 881 HB1 PRO 881 -10.876 6.568 -3.497 220 HG2 PRO 881 HG2 PRO 881 -9.789 4.843 -5.660 221 HG3 PRO 881 HG1 PRO 881 -11.193 5.925 -5.691 222 HD2 PRO 881 HD2 PRO 881 -8.712 6.494 -6.774 223 HD3 PRO 881 HD1 PRO 881 -9.906 7.722 -6.328 224 H MET 882 H MET 882 -7.083 6.673 -1.692 225 HA MET 882 HA MET 882 -5.864 4.183 -2.553 226 HB2 MET 882 HB2 MET 882 -4.396 6.553 -1.377 227 HB3 MET 882 HB1 MET 882 -3.677 5.008 -1.801 228 HG2 MET 882 HG2 MET 882 -4.359 5.406 -4.162 229 HG3 MET 882 HG1 MET 882 -4.905 7.008 -3.688 230 HE1 MET 882 HE1 MET 882 -0.524 5.566 -3.835 231 HE2 MET 882 HE2 MET 882 -1.890 4.723 -4.560 232 HE3 MET 882 HE3 MET 882 -1.741 4.797 -2.809 233 H ILE 883 H ILE 883 -5.187 2.842 -1.009 234 HA ILE 883 HA ILE 883 -6.339 3.301 1.640 235 HB ILE 883 HB ILE 883 -7.651 1.617 0.366 236 HG12 ILE 883 HG12 ILE 883 -5.931 0.236 2.441 237 HG13 ILE 883 HG11 ILE 883 -7.244 1.332 2.839 238 HG21 ILE 883 HG21 ILE 883 -6.671 -0.481 -0.396 239 HG22 ILE 883 HG22 ILE 883 -5.067 0.163 -0.069 240 HG23 ILE 883 HG23 ILE 883 -6.086 0.915 -1.283 241 HD11 ILE 883 HD11 ILE 883 -8.812 -0.175 1.765 242 HD12 ILE 883 HD12 ILE 883 -7.904 -0.967 3.054 243 HD13 ILE 883 HD13 ILE 883 -7.486 -1.264 1.368 244 H GLY 884 H GLY 884 -5.175 2.386 3.402 245 HA2 GLY 884 HA2 GLY 884 -2.348 1.824 2.827 246 HA3 GLY 884 HA1 GLY 884 -2.949 2.534 4.315 247 H CYS 885 H CYS 885 -1.258 0.380 4.150 248 HA CYS 885 HA CYS 885 -2.603 -2.175 4.629 249 HB2 CYS 885 HB2 CYS 885 -0.458 -2.045 3.297 250 HB3 CYS 885 HB1 CYS 885 0.382 -1.409 4.670 251 H ASP 886 H ASP 886 -1.194 -3.244 6.493 252 HA ASP 886 HA ASP 886 -1.470 -1.554 8.903 253 HB2 ASP 886 HB2 ASP 886 -3.284 -3.242 8.787 254 HB3 ASP 886 HB1 ASP 886 -2.082 -4.515 8.654 255 H ASP 887 H ASP 887 0.536 -3.329 6.922 256 HA ASP 887 HA ASP 887 2.324 -4.070 9.134 257 HB2 ASP 887 HB2 ASP 887 1.617 -5.961 7.801 258 HB3 ASP 887 HB1 ASP 887 2.215 -5.186 6.344 259 H CYS 888 H CYS 888 2.549 -2.661 5.831 260 HA CYS 888 HA CYS 888 5.383 -2.348 6.382 261 HB2 CYS 888 HB2 CYS 888 5.562 -2.233 3.879 262 HB3 CYS 888 HB1 CYS 888 4.945 -3.730 4.536 263 H ASP 889 H ASP 889 5.031 -0.634 3.841 264 HA ASP 889 HA ASP 889 4.668 2.026 5.024 265 HB2 ASP 889 HB2 ASP 889 7.143 1.535 4.941 266 HB3 ASP 889 HB1 ASP 889 6.994 1.187 3.226 267 H ASP 890 H ASP 890 2.838 2.275 4.011 268 HA ASP 890 HA ASP 890 2.531 1.157 1.310 269 HB2 ASP 890 HB2 ASP 890 0.343 0.444 2.193 270 HB3 ASP 890 HB1 ASP 890 1.759 -0.345 2.901 271 H TRP 891 H TRP 891 1.347 2.273 -0.090 272 HA TRP 891 HA TRP 891 -1.165 3.313 0.652 273 HD1 TRP 891 HD TRP 891 1.718 6.384 1.216 274 HE1 TRP 891 HE1 TRP 891 0.694 7.724 3.213 275 HE3 TRP 891 HE3 TRP 891 -3.189 5.032 0.650 276 HZ2 TRP 891 HZ2 TRP 891 -1.889 8.093 4.360 277 HZ3 TRP 891 HZ3 TRP 891 -4.835 5.891 2.213 278 HH2 TRP 891 HH TRP 891 -4.206 7.377 4.031 279 HB2 TRP 891 HB2 TRP 891 0.876 5.095 -0.675 280 HB3 TRP 891 HB1 TRP 891 -0.834 5.272 -1.038 281 H TYR 892 H TYR 892 -2.467 2.257 -0.670 282 HA TYR 892 HA TYR 892 -1.408 1.564 -3.335 283 HD1 TYR 892 HD2 TYR 892 -1.225 -0.061 0.150 284 HD2 TYR 892 HD1 TYR 892 -0.723 -1.536 -3.797 285 HE1 TYR 892 HE2 TYR 892 0.825 -1.198 0.849 286 HE2 TYR 892 HE1 TYR 892 1.334 -2.692 -3.108 287 HH TYR 892 HH TYR 892 2.038 -3.231 0.059 288 HB2 TYR 892 HB2 TYR 892 -3.095 -0.127 -1.494 289 HB3 TYR 892 HB1 TYR 892 -2.761 -0.531 -3.172 290 H HIS 893 H HIS 893 -2.890 1.496 -4.974 291 HA HIS 893 HA HIS 893 -5.140 3.327 -4.623 292 HD2 HIS 893 HD2 HIS 893 -4.709 5.691 -6.515 293 HE1 HIS 893 HE1 HIS 893 -0.830 4.931 -8.006 294 HE2 HIS 893 HE2 HIS 893 -2.517 6.713 -7.461 295 HB2 HIS 893 HB2 HIS 893 -4.220 1.844 -7.098 296 HB3 HIS 893 HB1 HIS 893 -5.553 2.980 -7.066 297 H TRP 894 H TRP 894 -7.296 2.824 -4.797 298 HA TRP 894 HA TRP 894 -8.166 0.361 -3.925 299 HD1 TRP 894 HD TRP 894 -7.933 2.126 -2.310 300 HE1 TRP 894 HE1 TRP 894 -9.181 3.108 -0.258 301 HE3 TRP 894 HE3 TRP 894 -12.607 2.526 -4.297 302 HZ2 TRP 894 HZ2 TRP 894 -11.772 3.935 0.404 303 HZ3 TRP 894 HZ3 TRP 894 -14.421 3.425 -2.898 304 HH2 TRP 894 HH TRP 894 -14.004 4.111 -0.593 305 HB2 TRP 894 HB2 TRP 894 -9.640 2.582 -5.297 306 HB3 TRP 894 HB1 TRP 894 -10.451 1.079 -4.889 307 HA PRO 895 HA PRO 895 -9.316 -1.078 -8.403 308 HB2 PRO 895 HB2 PRO 895 -7.948 0.070 -10.471 309 HB3 PRO 895 HB1 PRO 895 -9.537 0.622 -9.934 310 HG2 PRO 895 HG2 PRO 895 -6.829 1.703 -9.247 311 HG3 PRO 895 HG1 PRO 895 -8.292 2.589 -9.722 312 HD2 PRO 895 HD2 PRO 895 -7.579 2.411 -7.150 313 HD3 PRO 895 HD1 PRO 895 -9.282 2.319 -7.637 314 H CYS 896 H CYS 896 -6.185 -0.361 -7.139 315 HA CYS 896 HA CYS 896 -4.812 -2.205 -8.905 316 HB2 CYS 896 HB2 CYS 896 -3.949 -0.587 -6.542 317 HB3 CYS 896 HB1 CYS 896 -2.856 -1.628 -7.431 318 H VAL 897 H VAL 897 -6.140 -2.102 -5.769 319 HA VAL 897 HA VAL 897 -5.157 -4.786 -5.279 320 HB VAL 897 HB VAL 897 -5.925 -4.375 -2.895 321 HG11 VAL 897 HG11 VAL 897 -3.943 -2.458 -4.126 322 HG12 VAL 897 HG12 VAL 897 -3.589 -4.106 -3.620 323 HG13 VAL 897 HG13 VAL 897 -4.007 -2.882 -2.416 324 HG21 VAL 897 HG21 VAL 897 -6.166 -1.566 -3.930 325 HG22 VAL 897 HG22 VAL 897 -6.353 -2.060 -2.238 326 HG23 VAL 897 HG23 VAL 897 -7.532 -2.572 -3.454 327 H GLY 898 H GLY 898 -8.055 -2.966 -5.855 328 HA2 GLY 898 HA2 GLY 898 -9.893 -4.097 -6.910 329 HA3 GLY 898 HA1 GLY 898 -9.484 -5.515 -5.944 330 H ILE 899 H ILE 899 -10.046 -2.106 -5.164 331 HA ILE 899 HA ILE 899 -12.054 -3.003 -3.249 332 HB ILE 899 HB ILE 899 -9.920 -0.884 -2.947 333 HG12 ILE 899 HG12 ILE 899 -10.608 -3.383 -1.420 334 HG13 ILE 899 HG11 ILE 899 -9.252 -3.167 -2.500 335 HG21 ILE 899 HG21 ILE 899 -12.222 -1.394 -1.061 336 HG22 ILE 899 HG22 ILE 899 -12.024 0.031 -2.080 337 HG23 ILE 899 HG23 ILE 899 -10.868 -0.294 -0.789 338 HD11 ILE 899 HD11 ILE 899 -8.547 -3.051 -0.193 339 HD12 ILE 899 HD12 ILE 899 -9.681 -1.728 0.093 340 HD13 ILE 899 HD13 ILE 899 -8.319 -1.502 -1.005 341 H MET 900 H MET 900 -13.915 -1.941 -3.180 342 HA MET 900 HA MET 900 -14.328 0.344 -5.002 343 HB2 MET 900 HB2 MET 900 -16.473 -0.627 -5.678 344 HB3 MET 900 HB1 MET 900 -15.122 -1.693 -6.057 345 HG2 MET 900 HG2 MET 900 -15.643 -3.020 -4.032 346 HG3 MET 900 HG1 MET 900 -17.042 -1.989 -3.753 347 HE1 MET 900 HE1 MET 900 -15.675 -3.337 -7.229 348 HE2 MET 900 HE2 MET 900 -16.597 -4.833 -7.382 349 HE3 MET 900 HE3 MET 900 -15.391 -4.669 -6.106 350 H ALA 901 H ALA 901 -14.389 -0.662 -1.913 351 HA ALA 901 HA ALA 901 -16.161 1.460 -1.082 352 HB1 ALA 901 HB1 ALA 901 -16.556 -1.413 -0.227 353 HB2 ALA 901 HB2 ALA 901 -17.646 -0.476 -1.248 354 HB3 ALA 901 HB3 ALA 901 -17.410 -0.016 0.439 355 H ALA 902 H ALA 902 -15.535 2.235 0.937 356 HA ALA 902 HA ALA 902 -12.849 1.718 1.606 357 HB1 ALA 902 HB1 ALA 902 -14.886 3.424 3.022 358 HB2 ALA 902 HB2 ALA 902 -13.831 3.960 1.713 359 HB3 ALA 902 HB3 ALA 902 -13.142 3.477 3.263 360 HA PRO 903 HA PRO 903 -13.927 -1.412 4.660 361 HB2 PRO 903 HB2 PRO 903 -11.381 -2.198 5.088 362 HB3 PRO 903 HB1 PRO 903 -12.355 -2.824 3.745 363 HG2 PRO 903 HG2 PRO 903 -10.182 -0.794 3.746 364 HG3 PRO 903 HG1 PRO 903 -10.632 -1.953 2.485 365 HD2 PRO 903 HD2 PRO 903 -11.312 0.756 2.429 366 HD3 PRO 903 HD1 PRO 903 -12.161 -0.530 1.564 367 HA PRO 904 HA PRO 904 -13.046 1.327 8.166 368 HB2 PRO 904 HB2 PRO 904 -13.839 -1.122 9.618 369 HB3 PRO 904 HB1 PRO 904 -14.506 0.518 9.774 370 HG2 PRO 904 HG2 PRO 904 -15.891 -1.396 8.613 371 HG3 PRO 904 HG1 PRO 904 -15.866 0.234 7.913 372 HD2 PRO 904 HD2 PRO 904 -14.379 -2.214 7.051 373 HD3 PRO 904 HD1 PRO 904 -15.208 -0.973 6.075 374 H GLU 905 H GLU 905 -11.424 1.582 9.556 375 HA GLU 905 HA GLU 905 -9.157 -0.057 9.116 376 HB2 GLU 905 HB2 GLU 905 -8.002 1.506 10.744 377 HB3 GLU 905 HB1 GLU 905 -8.641 2.222 9.280 378 HG2 GLU 905 HG2 GLU 905 -10.193 2.245 11.822 379 HG3 GLU 905 HG1 GLU 905 -8.966 3.489 11.491 380 H GLU 906 H GLU 906 -11.655 -0.493 11.190 381 HA GLU 906 HA GLU 906 -10.315 -1.702 13.382 382 HB2 GLU 906 HB2 GLU 906 -12.465 -2.917 13.764 383 HB3 GLU 906 HB1 GLU 906 -12.653 -1.175 13.622 384 HG2 GLU 906 HG2 GLU 906 -13.478 -1.356 11.438 385 HG3 GLU 906 HG1 GLU 906 -13.118 -3.084 11.345 386 H MET 907 H MET 907 -10.793 -2.588 10.136 387 HA MET 907 HA MET 907 -10.071 -5.365 10.645 388 HB2 MET 907 HB2 MET 907 -11.961 -5.057 9.145 389 HB3 MET 907 HB1 MET 907 -11.028 -3.947 8.149 390 HG2 MET 907 HG2 MET 907 -9.532 -5.780 7.514 391 HG3 MET 907 HG1 MET 907 -10.446 -6.885 8.531 392 HE1 MET 907 HE1 MET 907 -13.456 -6.048 7.996 393 HE2 MET 907 HE2 MET 907 -12.893 -7.721 8.001 394 HE3 MET 907 HE3 MET 907 -13.870 -7.124 6.662 395 H GLN 908 H GLN 908 -8.078 -5.946 10.380 396 HA GLN 908 HA GLN 908 -6.136 -4.087 9.385 397 HB2 GLN 908 HB2 GLN 908 -5.876 -7.006 9.993 398 HB3 GLN 908 HB1 GLN 908 -4.548 -5.937 9.641 399 HG2 GLN 908 HG2 GLN 908 -4.889 -4.665 11.634 400 HG3 GLN 908 HG1 GLN 908 -6.375 -5.544 11.992 401 HE21 GLN 908 HE21 GLN 908 -2.902 -5.728 11.870 402 HE22 GLN 908 HE22 GLN 908 -2.763 -7.141 12.838 403 H TRP 909 H TRP 909 -5.429 -3.999 7.474 404 HA TRP 909 HA TRP 909 -6.486 -5.859 5.460 405 HD1 TRP 909 HD TRP 909 -8.459 -4.994 3.063 406 HE1 TRP 909 HE1 TRP 909 -7.758 -4.689 0.587 407 HE3 TRP 909 HE3 TRP 909 -4.200 -2.339 3.727 408 HZ2 TRP 909 HZ2 TRP 909 -5.683 -3.464 -0.864 409 HZ3 TRP 909 HZ3 TRP 909 -2.879 -1.638 1.761 410 HH2 TRP 909 HH TRP 909 -3.614 -2.199 -0.485 411 HB2 TRP 909 HB2 TRP 909 -7.654 -3.701 5.300 412 HB3 TRP 909 HB1 TRP 909 -6.115 -2.857 5.231 413 H PHE 910 H PHE 910 -5.051 -6.495 3.914 414 HA PHE 910 HA PHE 910 -2.361 -5.446 4.173 415 HD1 PHE 910 HD1 PHE 910 -0.664 -6.409 6.007 416 HD2 PHE 910 HD2 PHE 910 -4.136 -8.866 6.003 417 HE1 PHE 910 HE1 PHE 910 -0.630 -6.448 8.464 418 HE2 PHE 910 HE2 PHE 910 -4.113 -8.913 8.464 419 HZ PHE 910 HZ PHE 910 -2.364 -7.691 9.699 420 HB2 PHE 910 HB2 PHE 910 -3.078 -8.384 3.994 421 HB3 PHE 910 HB1 PHE 910 -1.441 -7.730 3.970 422 H CYS 911 H CYS 911 -1.333 -5.155 2.357 423 HA CYS 911 HA CYS 911 -2.725 -5.057 -0.091 424 HB2 CYS 911 HB2 CYS 911 -0.457 -4.270 -0.792 425 HB3 CYS 911 HB1 CYS 911 -1.169 -3.380 0.552 426 HA PRO 912 HA PRO 912 -1.450 -8.862 -2.097 427 HB2 PRO 912 HB2 PRO 912 -0.022 -7.835 -4.278 428 HB3 PRO 912 HB1 PRO 912 -1.765 -8.103 -4.237 429 HG2 PRO 912 HG2 PRO 912 -0.231 -5.583 -3.713 430 HG3 PRO 912 HG1 PRO 912 -1.743 -5.773 -4.615 431 HD2 PRO 912 HD2 PRO 912 -1.808 -4.828 -2.175 432 HD3 PRO 912 HD1 PRO 912 -2.996 -6.052 -2.666 433 H LYS 913 H LYS 913 0.868 -6.469 -1.166 434 HA LYS 913 HA LYS 913 3.218 -8.086 -1.719 435 HB2 LYS 913 HB2 LYS 913 2.954 -5.523 -0.132 436 HB3 LYS 913 HB1 LYS 913 4.458 -6.241 -0.676 437 HG2 LYS 913 HG2 LYS 913 2.283 -5.182 -2.485 438 HG3 LYS 913 HG1 LYS 913 3.742 -4.314 -2.025 439 HD2 LYS 913 HD2 LYS 913 3.719 -6.958 -3.457 440 HD3 LYS 913 HD1 LYS 913 3.843 -5.399 -4.271 441 HE2 LYS 913 HE2 LYS 913 5.914 -4.931 -3.022 442 HE3 LYS 913 HE1 LYS 913 5.789 -6.496 -2.228 443 HZ1 LYS 913 HZ1 LYS 913 7.308 -6.607 -4.057 444 HZ2 LYS 913 HZ2 LYS 913 6.179 -6.014 -5.128 445 HZ3 LYS 913 HZ3 LYS 913 5.956 -7.544 -4.414 446 H CYS 914 H CYS 914 1.280 -7.164 1.094 447 HA CYS 914 HA CYS 914 2.971 -8.849 2.680 448 HB2 CYS 914 HB2 CYS 914 0.612 -7.140 3.424 449 HB3 CYS 914 HB1 CYS 914 1.492 -8.151 4.573 450 H ALA 915 H ALA 915 -0.116 -9.006 1.162 451 HA ALA 915 HA ALA 915 -1.047 -11.295 2.502 452 HB1 ALA 915 HB1 ALA 915 -2.517 -9.856 1.193 453 HB2 ALA 915 HB2 ALA 915 -2.615 -11.533 0.643 454 HB3 ALA 915 HB3 ALA 915 -1.687 -10.348 -0.284 455 H ASN 916 H ASN 916 1.232 -10.870 -0.108 456 HA ASN 916 HA ASN 916 1.160 -13.588 -0.957 457 HB2 ASN 916 HB2 ASN 916 3.043 -13.074 -2.417 458 HB3 ASN 916 HB1 ASN 916 1.940 -11.713 -2.455 459 HD21 ASN 916 HD21 ASN 916 3.468 -10.349 -3.203 460 HD22 ASN 916 HD22 ASN 916 4.832 -9.807 -2.289 461 H LYS 917 H LYS 917 2.662 -12.020 1.632 462 HA LYS 917 HA LYS 917 4.358 -14.328 2.078 463 HB2 LYS 917 HB2 LYS 917 5.398 -12.949 3.936 464 HB3 LYS 917 HB1 LYS 917 5.704 -12.450 2.278 465 HG2 LYS 917 HG2 LYS 917 4.027 -10.664 2.562 466 HG3 LYS 917 HG1 LYS 917 3.819 -11.148 4.251 467 HD2 LYS 917 HD2 LYS 917 6.092 -10.605 4.765 468 HD3 LYS 917 HD1 LYS 917 6.487 -10.372 3.067 469 HE2 LYS 917 HE2 LYS 917 6.326 -8.220 4.085 470 HE3 LYS 917 HE1 LYS 917 4.937 -8.420 3.038 471 HZ1 LYS 917 HZ1 LYS 917 4.158 -7.438 4.993 472 HZ2 LYS 917 HZ2 LYS 917 5.028 -8.439 6.000 473 HZ3 LYS 917 HZ3 LYS 917 3.681 -9.040 5.203 474 H ILE 918 H ILE 918 1.632 -12.746 3.382 475 HA ILE 918 HA ILE 918 1.515 -14.402 5.733 476 HB ILE 918 HB ILE 918 -0.696 -12.795 4.398 477 HG12 ILE 918 HG12 ILE 918 1.006 -12.191 6.828 478 HG13 ILE 918 HG11 ILE 918 1.175 -11.439 5.252 479 HG21 ILE 918 HG21 ILE 918 -1.644 -14.603 5.744 480 HG22 ILE 918 HG22 ILE 918 -1.931 -13.041 6.517 481 HG23 ILE 918 HG23 ILE 918 -0.667 -14.105 7.126 482 HD11 ILE 918 HD11 ILE 918 -1.227 -11.219 7.051 483 HD12 ILE 918 HD12 ILE 918 -1.041 -10.448 5.475 484 HD13 ILE 918 HD13 ILE 918 0.009 -9.985 6.814 485 H LYS 919 H LYS 919 -0.265 -14.367 2.666 486 HA LYS 919 HA LYS 919 -1.246 -17.086 3.116 487 HB2 LYS 919 HB2 LYS 919 -1.977 -14.897 1.171 488 HB3 LYS 919 HB1 LYS 919 -2.684 -16.496 1.130 489 HG2 LYS 919 HG2 LYS 919 -3.685 -16.142 3.295 490 HG3 LYS 919 HG1 LYS 919 -2.885 -14.572 3.439 491 HD2 LYS 919 HD2 LYS 919 -4.120 -13.747 1.516 492 HD3 LYS 919 HD1 LYS 919 -4.857 -15.332 1.290 493 HE2 LYS 919 HE2 LYS 919 -5.182 -13.640 3.761 494 HE3 LYS 919 HE1 LYS 919 -6.332 -13.672 2.427 495 HZ1 LYS 919 HZ1 LYS 919 -5.568 -16.001 4.107 496 HZ2 LYS 919 HZ2 LYS 919 -6.675 -16.031 2.836 497 HZ3 LYS 919 HZ3 LYS 919 -7.000 -15.130 4.226 498 H LYS 920 H LYS 920 -1.458 -18.136 0.681 499 HA LYS 920 HA LYS 920 -0.460 -19.159 -0.959 500 HB2 LYS 920 HB2 LYS 920 1.008 -16.556 -1.416 501 HB3 LYS 920 HB1 LYS 920 0.577 -17.873 -2.510 502 HG2 LYS 920 HG2 LYS 920 -1.742 -17.351 -2.410 503 HG3 LYS 920 HG1 LYS 920 -1.457 -16.115 -1.182 504 HD2 LYS 920 HD2 LYS 920 -1.768 -15.061 -3.346 505 HD3 LYS 920 HD1 LYS 920 -0.096 -14.852 -2.828 506 HE2 LYS 920 HE2 LYS 920 0.562 -16.748 -4.253 507 HE3 LYS 920 HE1 LYS 920 -1.108 -16.912 -4.787 508 HZ1 LYS 920 HZ1 LYS 920 0.166 -15.710 -6.387 509 HZ2 LYS 920 HZ2 LYS 920 0.680 -14.590 -5.266 510 HZ3 LYS 920 HZ3 LYS 920 -0.946 -14.647 -5.709 511 H ASP 921 H ASP 921 2.158 -18.770 -2.054 512 HA ASP 921 HA ASP 921 3.849 -19.537 0.193 513 HB2 ASP 921 HB2 ASP 921 3.304 -21.507 -1.155 514 HB3 ASP 921 HB1 ASP 921 3.852 -20.689 -2.603 515 H LYS 922 H LYS 922 6.089 -19.234 -0.250 516 HA LYS 922 HA LYS 922 6.614 -16.501 -0.986 517 HB2 LYS 922 HB2 LYS 922 8.774 -16.952 0.006 518 HB3 LYS 922 HB1 LYS 922 7.490 -17.580 1.035 519 HG2 LYS 922 HG2 LYS 922 7.895 -19.836 -0.064 520 HG3 LYS 922 HG1 LYS 922 9.348 -19.129 -0.759 521 HD2 LYS 922 HD2 LYS 922 10.028 -20.273 1.201 522 HD3 LYS 922 HD1 LYS 922 10.046 -18.556 1.598 523 HE2 LYS 922 HE2 LYS 922 9.047 -19.808 3.412 524 HE3 LYS 922 HE1 LYS 922 7.823 -18.802 2.650 525 HZ1 LYS 922 HZ1 LYS 922 7.047 -20.829 1.419 526 HZ2 LYS 922 HZ2 LYS 922 6.974 -20.984 3.095 527 HZ3 LYS 922 HZ3 LYS 922 8.215 -21.719 2.272 528 H LYS 923 H LYS 923 8.718 -16.033 -2.235 529 HA LYS 923 HA LYS 923 9.477 -18.044 -4.175 530 HB2 LYS 923 HB2 LYS 923 7.705 -16.757 -5.306 531 HB3 LYS 923 HB1 LYS 923 8.543 -15.259 -4.925 532 HG2 LYS 923 HG2 LYS 923 10.480 -16.078 -6.272 533 HG3 LYS 923 HG1 LYS 923 9.487 -17.448 -6.764 534 HD2 LYS 923 HD2 LYS 923 7.910 -15.965 -7.831 535 HD3 LYS 923 HD1 LYS 923 8.789 -14.558 -7.225 536 HE2 LYS 923 HE2 LYS 923 9.901 -16.628 -9.109 537 HE3 LYS 923 HE1 LYS 923 9.301 -15.045 -9.581 538 HZ1 LYS 923 HZ1 LYS 923 11.042 -14.019 -8.235 539 HZ2 LYS 923 HZ2 LYS 923 11.692 -15.011 -9.395 540 HZ3 LYS 923 HZ3 LYS 923 11.676 -15.516 -7.797 541 H HIS 924 H HIS 924 11.584 -17.687 -4.949 542 HA HIS 924 HA HIS 924 13.115 -15.607 -3.607 543 HD1 HIS 924 HD1 HIS 924 14.069 -20.017 -3.919 544 HD2 HIS 924 HD2 HIS 924 14.820 -16.621 -1.663 545 HE1 HIS 924 HE1 HIS 924 14.499 -20.841 -1.603 546 HE2 HIS 924 HE2 HIS 924 14.622 -18.766 -0.227 547 HB2 HIS 924 HB2 HIS 924 13.984 -17.983 -5.289 548 HB3 HIS 924 HB1 HIS 924 15.089 -16.751 -4.706 Start of MODEL 12 1 H1 GLY 850 HT1 GLY 850 23.122 6.619 -11.219 2 H2 GLY 850 HT2 GLY 850 21.480 6.306 -10.956 3 H3 GLY 850 HT3 GLY 850 22.001 7.884 -11.207 4 HA2 GLY 850 HA1 GLY 850 22.591 7.424 -13.451 5 HA3 GLY 850 HA2 GLY 850 22.143 5.742 -13.232 6 H SER 851 H SER 851 20.139 5.268 -13.908 7 HA SER 851 HA SER 851 18.288 7.366 -14.467 8 HG SER 851 HG SER 851 19.060 6.271 -16.240 9 HB2 SER 851 HB2 SER 851 17.983 4.360 -14.582 10 HB3 SER 851 HB1 SER 851 16.822 5.531 -15.221 11 H HIS 852 H HIS 852 16.704 8.091 -13.246 12 HA HIS 852 HA HIS 852 15.286 8.433 -11.624 13 HD2 HIS 852 HD2 HIS 852 14.672 5.186 -13.720 14 HE1 HIS 852 HE1 HIS 852 10.758 6.419 -12.675 15 HE2 HIS 852 HE2 HIS 852 12.125 4.979 -14.199 16 HB2 HIS 852 HB2 HIS 852 15.623 5.490 -11.056 17 HB3 HIS 852 HB1 HIS 852 14.629 6.499 -10.018 18 H MET 853 H MET 853 16.721 9.901 -10.918 19 HA MET 853 HA MET 853 18.282 9.161 -8.565 20 HB2 MET 853 HB2 MET 853 18.244 11.713 -10.187 21 HB3 MET 853 HB1 MET 853 19.229 11.469 -8.752 22 HG2 MET 853 HG2 MET 853 19.418 9.950 -11.340 23 HG3 MET 853 HG1 MET 853 20.542 11.171 -10.752 24 HE1 MET 853 HE1 MET 853 22.149 10.823 -8.650 25 HE2 MET 853 HE2 MET 853 22.162 9.362 -7.658 26 HE3 MET 853 HE3 MET 853 20.763 10.430 -7.630 27 H ALA 854 H ALA 854 17.356 9.316 -6.724 28 HA ALA 854 HA ALA 854 16.081 9.925 -4.972 29 HB1 ALA 854 HB1 ALA 854 15.731 12.575 -6.395 30 HB2 ALA 854 HB2 ALA 854 17.039 12.177 -5.278 31 HB3 ALA 854 HB3 ALA 854 15.374 12.251 -4.697 32 H MET 855 H MET 855 15.043 8.983 -7.616 33 HA MET 855 HA MET 855 12.208 9.634 -7.335 34 HB2 MET 855 HB2 MET 855 13.680 8.204 -9.558 35 HB3 MET 855 HB1 MET 855 11.959 8.539 -9.550 36 HG2 MET 855 HG2 MET 855 12.426 10.930 -9.622 37 HG3 MET 855 HG1 MET 855 14.152 10.593 -9.562 38 HE1 MET 855 HE1 MET 855 14.504 12.097 -11.725 39 HE2 MET 855 HE2 MET 855 12.772 12.419 -11.763 40 HE3 MET 855 HE3 MET 855 13.601 11.871 -13.223 41 H ALA 856 H ALA 856 11.519 8.392 -5.753 42 HA ALA 856 HA ALA 856 12.043 5.507 -5.916 43 HB1 ALA 856 HB1 ALA 856 11.456 7.214 -3.489 44 HB2 ALA 856 HB2 ALA 856 13.037 6.590 -3.948 45 HB3 ALA 856 HB3 ALA 856 11.754 5.468 -3.488 46 H TYR 857 H TYR 857 9.992 4.900 -3.976 47 HA TYR 857 HA TYR 857 7.689 5.271 -5.704 48 HD1 TYR 857 HD2 TYR 857 6.752 2.631 -6.596 49 HD2 TYR 857 HD1 TYR 857 10.047 2.372 -3.915 50 HE1 TYR 857 HE2 TYR 857 7.791 0.959 -8.049 51 HE2 TYR 857 HE1 TYR 857 11.099 0.703 -5.348 52 HH TYR 857 HH TYR 857 10.006 0.040 -8.517 53 HB2 TYR 857 HB2 TYR 857 8.028 3.509 -3.246 54 HB3 TYR 857 HB1 TYR 857 6.621 3.535 -4.297 55 H VAL 858 H VAL 858 8.966 7.244 -3.908 56 HA VAL 858 HA VAL 858 6.527 8.365 -2.912 57 HB VAL 858 HB VAL 858 7.537 7.292 -0.918 58 HG11 VAL 858 HG11 VAL 858 9.676 8.041 -0.009 59 HG12 VAL 858 HG12 VAL 858 9.956 8.992 -1.470 60 HG13 VAL 858 HG13 VAL 858 9.860 7.233 -1.567 61 HG21 VAL 858 HG21 VAL 858 7.766 10.300 -0.874 62 HG22 VAL 858 HG22 VAL 858 7.649 9.262 0.550 63 HG23 VAL 858 HG23 VAL 858 6.307 9.352 -0.587 64 H ILE 859 H ILE 859 6.419 10.422 -3.455 65 HA ILE 859 HA ILE 859 8.850 11.787 -4.445 66 HB ILE 859 HB ILE 859 6.029 12.150 -5.574 67 HG12 ILE 859 HG12 ILE 859 8.321 10.579 -6.785 68 HG13 ILE 859 HG11 ILE 859 6.870 9.874 -6.090 69 HG21 ILE 859 HG21 ILE 859 7.442 14.094 -5.845 70 HG22 ILE 859 HG22 ILE 859 7.154 13.317 -7.402 71 HG23 ILE 859 HG23 ILE 859 8.703 13.104 -6.585 72 HD11 ILE 859 HD11 ILE 859 5.512 10.939 -7.823 73 HD12 ILE 859 HD12 ILE 859 6.773 9.925 -8.531 74 HD13 ILE 859 HD13 ILE 859 6.963 11.677 -8.500 75 H ARG 860 H ARG 860 8.864 14.076 -3.941 76 HA ARG 860 HA ARG 860 6.960 14.768 -1.856 77 HE ARG 860 HE ARG 860 10.812 14.576 1.129 78 HB2 ARG 860 HB2 ARG 860 9.455 16.221 -2.745 79 HB3 ARG 860 HB1 ARG 860 8.340 16.795 -1.513 80 HG2 ARG 860 HG2 ARG 860 8.824 14.847 -0.159 81 HG3 ARG 860 HG1 ARG 860 9.951 14.272 -1.389 82 HD2 ARG 860 HD2 ARG 860 11.325 16.185 -1.125 83 HD3 ARG 860 HD1 ARG 860 10.171 16.948 -0.029 84 HH11 ARG 860 HH11 ARG 860 12.658 17.344 0.001 85 HH12 ARG 860 HH12 ARG 860 13.876 17.243 1.176 86 HH21 ARG 860 HH21 ARG 860 12.450 14.409 2.797 87 HH22 ARG 860 HH22 ARG 860 13.729 15.513 2.860 88 H ASP 861 H ASP 861 5.315 15.875 -2.268 89 HA ASP 861 HA ASP 861 4.779 17.128 -4.772 90 HB2 ASP 861 HB2 ASP 861 2.961 16.183 -3.455 91 HB3 ASP 861 HB1 ASP 861 3.396 17.224 -2.094 92 H GLU 862 H GLU 862 3.950 19.427 -4.637 93 HA GLU 862 HA GLU 862 6.148 21.158 -4.178 94 HB2 GLU 862 HB2 GLU 862 4.628 22.969 -4.863 95 HB3 GLU 862 HB1 GLU 862 4.591 21.602 -5.968 96 HG2 GLU 862 HG2 GLU 862 2.511 20.829 -4.904 97 HG3 GLU 862 HG1 GLU 862 2.548 22.249 -3.859 98 H TRP 863 H TRP 863 3.265 20.412 -2.301 99 HA TRP 863 HA TRP 863 3.802 22.456 -0.375 100 HD1 TRP 863 HD TRP 863 0.450 20.560 -2.456 101 HE1 TRP 863 HE1 TRP 863 -0.837 22.560 -3.406 102 HE3 TRP 863 HE3 TRP 863 2.112 24.091 0.738 103 HZ2 TRP 863 HZ2 TRP 863 -1.124 25.335 -2.838 104 HZ3 TRP 863 HZ3 TRP 863 1.303 26.427 0.497 105 HH2 TRP 863 HH TRP 863 -0.282 27.021 -1.264 106 HB2 TRP 863 HB2 TRP 863 1.870 20.138 -0.342 107 HB3 TRP 863 HB1 TRP 863 1.922 21.434 0.850 108 H GLY 864 H GLY 864 5.271 19.653 -1.084 109 HA2 GLY 864 HA2 GLY 864 6.954 18.565 -0.034 110 HA3 GLY 864 HA1 GLY 864 6.625 19.397 1.458 111 H ASN 865 H ASN 865 3.801 18.068 0.266 112 HA ASN 865 HA ASN 865 3.819 15.999 2.246 113 HB2 ASN 865 HB2 ASN 865 1.775 16.585 0.081 114 HB3 ASN 865 HB1 ASN 865 1.611 15.270 1.230 115 HD21 ASN 865 HD21 ASN 865 1.102 18.580 0.661 116 HD22 ASN 865 HD22 ASN 865 0.544 19.000 2.234 117 H GLN 866 H GLN 866 3.697 13.783 1.892 118 HA GLN 866 HA GLN 866 5.416 12.999 -0.245 119 HB2 GLN 866 HB2 GLN 866 4.132 11.429 1.972 120 HB3 GLN 866 HB1 GLN 866 5.157 10.709 0.744 121 HG2 GLN 866 HG2 GLN 866 7.005 12.109 1.436 122 HG3 GLN 866 HG1 GLN 866 5.975 12.882 2.636 123 HE21 GLN 866 HE21 GLN 866 4.691 10.339 3.338 124 HE22 GLN 866 HE22 GLN 866 5.824 9.423 4.250 125 H ILE 867 H ILE 867 4.888 12.284 -2.027 126 HA ILE 867 HA ILE 867 2.159 11.422 -2.654 127 HB ILE 867 HB ILE 867 4.599 11.876 -4.364 128 HG12 ILE 867 HG12 ILE 867 3.528 13.955 -3.610 129 HG13 ILE 867 HG11 ILE 867 3.393 13.723 -5.354 130 HG21 ILE 867 HG21 ILE 867 1.840 11.026 -5.259 131 HG22 ILE 867 HG22 ILE 867 3.297 10.045 -5.290 132 HG23 ILE 867 HG23 ILE 867 3.169 11.461 -6.342 133 HD11 ILE 867 HD11 ILE 867 1.220 13.206 -3.343 134 HD12 ILE 867 HD12 ILE 867 1.136 12.926 -5.081 135 HD13 ILE 867 HD13 ILE 867 1.318 14.579 -4.464 136 H TRP 868 H TRP 868 1.803 9.368 -2.572 137 HA TRP 868 HA TRP 868 4.109 7.597 -2.399 138 HD1 TRP 868 HD TRP 868 4.546 6.344 0.277 139 HE1 TRP 868 HE1 TRP 868 4.553 7.605 2.533 140 HE3 TRP 868 HE3 TRP 868 0.304 9.127 -0.343 141 HZ2 TRP 868 HZ2 TRP 868 2.952 9.513 3.857 142 HZ3 TRP 868 HZ3 TRP 868 -0.387 10.640 1.473 143 HH2 TRP 868 HH TRP 868 0.915 10.820 3.520 144 HB2 TRP 868 HB2 TRP 868 1.266 7.214 -1.572 145 HB3 TRP 868 HB1 TRP 868 2.475 5.929 -1.503 146 H ILE 869 H ILE 869 4.440 6.016 -3.740 147 HA ILE 869 HA ILE 869 2.619 5.748 -5.979 148 HB ILE 869 HB ILE 869 5.559 5.092 -5.667 149 HG12 ILE 869 HG12 ILE 869 4.062 7.022 -7.444 150 HG13 ILE 869 HG11 ILE 869 5.144 7.438 -6.120 151 HG21 ILE 869 HG21 ILE 869 5.541 4.274 -7.980 152 HG22 ILE 869 HG22 ILE 869 3.789 4.451 -8.018 153 HG23 ILE 869 HG23 ILE 869 4.533 3.288 -6.921 154 HD11 ILE 869 HD11 ILE 869 7.014 6.512 -7.462 155 HD12 ILE 869 HD12 ILE 869 6.152 7.835 -8.264 156 HD13 ILE 869 HD13 ILE 869 5.843 6.176 -8.747 157 H CYS 870 H CYS 870 1.384 4.131 -5.970 158 HA CYS 870 HA CYS 870 1.218 2.133 -4.033 159 HB2 CYS 870 HB2 CYS 870 -0.638 3.076 -5.366 160 HB3 CYS 870 HB1 CYS 870 0.061 2.416 -6.819 161 HA PRO 871 HA PRO 871 4.761 -0.193 -5.776 162 HB2 PRO 871 HB2 PRO 871 3.827 -2.115 -3.702 163 HB3 PRO 871 HB1 PRO 871 5.449 -1.477 -3.992 164 HG2 PRO 871 HG2 PRO 871 4.008 -0.605 -1.941 165 HG3 PRO 871 HG1 PRO 871 5.011 0.510 -2.885 166 HD2 PRO 871 HD2 PRO 871 2.031 0.138 -2.963 167 HD3 PRO 871 HD1 PRO 871 3.006 1.612 -3.092 168 H GLY 872 H GLY 872 1.488 -1.131 -5.536 169 HA2 GLY 872 HA2 GLY 872 1.712 -3.716 -6.715 170 HA3 GLY 872 HA1 GLY 872 0.239 -2.768 -6.570 171 H CYS 873 H CYS 873 0.965 -0.490 -8.024 172 HA CYS 873 HA CYS 873 0.827 -1.663 -10.718 173 HB2 CYS 873 HB2 CYS 873 -0.325 0.471 -11.226 174 HB3 CYS 873 HB1 CYS 873 -1.146 -0.525 -10.017 175 H ASN 874 H ASN 874 2.443 0.615 -8.678 176 HA ASN 874 HA ASN 874 4.330 1.785 -8.797 177 HB2 ASN 874 HB2 ASN 874 5.291 0.044 -10.367 178 HB3 ASN 874 HB1 ASN 874 4.621 0.946 -11.720 179 HD21 ASN 874 HD21 ASN 874 6.673 1.218 -12.615 180 HD22 ASN 874 HD22 ASN 874 7.831 2.315 -11.953 181 H LYS 875 H LYS 875 1.623 2.624 -9.382 182 HA LYS 875 HA LYS 875 2.086 5.100 -10.930 183 HB2 LYS 875 HB2 LYS 875 -0.495 3.986 -9.814 184 HB3 LYS 875 HB1 LYS 875 -0.322 5.415 -10.816 185 HG2 LYS 875 HG2 LYS 875 0.245 4.146 -12.685 186 HG3 LYS 875 HG1 LYS 875 0.453 2.678 -11.726 187 HD2 LYS 875 HD2 LYS 875 -1.986 2.832 -11.117 188 HD3 LYS 875 HD1 LYS 875 -2.134 4.160 -12.266 189 HE2 LYS 875 HE2 LYS 875 -1.484 2.700 -14.077 190 HE3 LYS 875 HE1 LYS 875 -1.220 1.367 -12.952 191 HZ1 LYS 875 HZ1 LYS 875 -3.572 1.412 -12.416 192 HZ2 LYS 875 HZ2 LYS 875 -3.369 1.168 -14.059 193 HZ3 LYS 875 HZ3 LYS 875 -3.839 2.682 -13.478 194 HA PRO 876 HA PRO 876 2.159 7.376 -7.033 195 HB2 PRO 876 HB2 PRO 876 1.905 9.829 -8.121 196 HB3 PRO 876 HB1 PRO 876 3.437 8.971 -8.122 197 HG2 PRO 876 HG2 PRO 876 1.454 9.348 -10.318 198 HG3 PRO 876 HG1 PRO 876 3.219 9.270 -10.415 199 HD2 PRO 876 HD2 PRO 876 1.553 7.162 -11.084 200 HD3 PRO 876 HD1 PRO 876 3.213 6.955 -10.559 201 H ASP 877 H ASP 877 0.781 8.690 -5.791 202 HA ASP 877 HA ASP 877 -1.989 8.460 -6.246 203 HB2 ASP 877 HB2 ASP 877 -1.170 8.741 -3.966 204 HB3 ASP 877 HB1 ASP 877 -0.488 10.314 -4.367 205 H ASP 878 H ASP 878 -3.443 9.861 -6.936 206 HA ASP 878 HA ASP 878 -2.490 12.219 -8.462 207 HB2 ASP 878 HB2 ASP 878 -3.004 10.188 -9.834 208 HB3 ASP 878 HB1 ASP 878 -4.640 10.211 -9.203 209 H GLY 879 H GLY 879 -3.817 11.567 -5.761 210 HA2 GLY 879 HA2 GLY 879 -5.387 12.657 -4.454 211 HA3 GLY 879 HA1 GLY 879 -6.029 13.442 -5.912 212 H SER 880 H SER 880 -5.390 10.169 -4.904 213 HA SER 880 HA SER 880 -7.983 9.400 -5.994 214 HG SER 880 HG SER 880 -4.665 8.639 -5.411 215 HB2 SER 880 HB2 SER 880 -6.741 7.225 -6.520 216 HB3 SER 880 HB1 SER 880 -6.360 8.633 -7.512 217 HA PRO 881 HA PRO 881 -8.754 7.450 -2.046 218 HB2 PRO 881 HB2 PRO 881 -10.008 5.185 -3.450 219 HB3 PRO 881 HB1 PRO 881 -10.744 6.348 -2.348 220 HG2 PRO 881 HG2 PRO 881 -11.269 6.351 -4.989 221 HG3 PRO 881 HG1 PRO 881 -11.230 7.839 -4.027 222 HD2 PRO 881 HD2 PRO 881 -9.170 6.735 -5.890 223 HD3 PRO 881 HD1 PRO 881 -9.689 8.415 -5.627 224 H MET 882 H MET 882 -7.200 6.437 -0.977 225 HA MET 882 HA MET 882 -5.976 4.096 -2.203 226 HB2 MET 882 HB2 MET 882 -4.472 6.218 -0.645 227 HB3 MET 882 HB1 MET 882 -3.784 4.754 -1.330 228 HG2 MET 882 HG2 MET 882 -4.403 5.587 -3.586 229 HG3 MET 882 HG1 MET 882 -4.928 7.092 -2.842 230 HE1 MET 882 HE1 MET 882 -1.957 4.955 -4.098 231 HE2 MET 882 HE2 MET 882 -1.787 4.697 -2.365 232 HE3 MET 882 HE3 MET 882 -0.573 5.633 -3.243 233 H ILE 883 H ILE 883 -5.420 2.492 -0.862 234 HA ILE 883 HA ILE 883 -6.523 2.656 1.838 235 HB ILE 883 HB ILE 883 -7.790 1.079 0.334 236 HG12 ILE 883 HG12 ILE 883 -6.161 -0.464 2.363 237 HG13 ILE 883 HG11 ILE 883 -7.498 0.593 2.790 238 HG21 ILE 883 HG21 ILE 883 -6.764 -0.923 -0.534 239 HG22 ILE 883 HG22 ILE 883 -5.181 -0.329 -0.036 240 HG23 ILE 883 HG23 ILE 883 -6.108 0.541 -1.257 241 HD11 ILE 883 HD11 ILE 883 -7.659 -1.866 1.068 242 HD12 ILE 883 HD12 ILE 883 -9.005 -0.803 1.466 243 HD13 ILE 883 HD13 ILE 883 -8.199 -1.721 2.741 244 H GLY 884 H GLY 884 -5.261 1.783 3.513 245 HA2 GLY 884 HA2 GLY 884 -2.463 1.331 2.773 246 HA3 GLY 884 HA1 GLY 884 -2.992 2.032 4.288 247 H CYS 885 H CYS 885 -1.267 0.071 4.280 248 HA CYS 885 HA CYS 885 -2.452 -2.577 4.690 249 HB2 CYS 885 HB2 CYS 885 -0.300 -2.295 3.381 250 HB3 CYS 885 HB1 CYS 885 0.449 -1.574 4.766 251 H ASP 886 H ASP 886 -0.838 -3.442 6.584 252 HA ASP 886 HA ASP 886 -1.225 -1.716 8.956 253 HB2 ASP 886 HB2 ASP 886 -3.020 -3.409 8.925 254 HB3 ASP 886 HB1 ASP 886 -1.828 -4.690 8.804 255 H ASP 887 H ASP 887 0.876 -3.447 7.049 256 HA ASP 887 HA ASP 887 2.601 -4.178 9.325 257 HB2 ASP 887 HB2 ASP 887 1.870 -6.017 7.869 258 HB3 ASP 887 HB1 ASP 887 2.688 -5.253 6.523 259 H CYS 888 H CYS 888 2.813 -2.574 6.119 260 HA CYS 888 HA CYS 888 5.680 -2.279 6.614 261 HB2 CYS 888 HB2 CYS 888 5.824 -2.071 4.121 262 HB3 CYS 888 HB1 CYS 888 5.228 -3.610 4.714 263 H ASP 889 H ASP 889 5.039 -0.523 4.082 264 HA ASP 889 HA ASP 889 4.619 2.115 5.257 265 HB2 ASP 889 HB2 ASP 889 7.108 1.967 5.168 266 HB3 ASP 889 HB1 ASP 889 7.028 1.395 3.507 267 H ASP 890 H ASP 890 2.774 2.140 4.325 268 HA ASP 890 HA ASP 890 2.510 1.163 1.571 269 HB2 ASP 890 HB2 ASP 890 0.387 0.292 2.419 270 HB3 ASP 890 HB1 ASP 890 1.834 -0.436 3.137 271 H TRP 891 H TRP 891 1.308 2.364 0.264 272 HA TRP 891 HA TRP 891 -1.279 3.100 1.050 273 HD1 TRP 891 HD TRP 891 1.285 6.259 2.143 274 HE1 TRP 891 HE1 TRP 891 0.059 7.375 4.191 275 HE3 TRP 891 HE3 TRP 891 -3.477 4.852 1.081 276 HZ2 TRP 891 HZ2 TRP 891 -2.565 7.567 5.159 277 HZ3 TRP 891 HZ3 TRP 891 -5.274 5.520 2.578 278 HH2 TRP 891 HH TRP 891 -4.835 6.842 4.593 279 HB2 TRP 891 HB2 TRP 891 0.597 5.232 -0.001 280 HB3 TRP 891 HB1 TRP 891 -1.110 5.279 -0.406 281 H TYR 892 H TYR 892 -2.482 2.079 -0.408 282 HA TYR 892 HA TYR 892 -1.336 1.725 -3.097 283 HD1 TYR 892 HD1 TYR 892 -1.025 0.042 0.217 284 HD2 TYR 892 HD2 TYR 892 -0.541 -1.516 -3.697 285 HE1 TYR 892 HE1 TYR 892 1.054 -1.034 0.919 286 HE2 TYR 892 HE2 TYR 892 1.554 -2.608 -3.009 287 HH TYR 892 HH TYR 892 2.268 -3.110 0.112 288 HB2 TYR 892 HB2 TYR 892 -2.955 -0.221 -1.441 289 HB3 TYR 892 HB1 TYR 892 -2.540 -0.459 -3.133 290 H HIS 893 H HIS 893 -2.819 1.696 -4.748 291 HA HIS 893 HA HIS 893 -5.098 3.459 -4.291 292 HD2 HIS 893 HD2 HIS 893 -4.421 5.869 -5.872 293 HE1 HIS 893 HE1 HIS 893 -0.824 4.988 -7.884 294 HE2 HIS 893 HE2 HIS 893 -2.356 6.804 -7.092 295 HB2 HIS 893 HB2 HIS 893 -4.299 2.064 -6.854 296 HB3 HIS 893 HB1 HIS 893 -5.544 3.287 -6.707 297 H TRP 894 H TRP 894 -7.238 2.969 -4.457 298 HA TRP 894 HA TRP 894 -8.190 0.497 -3.738 299 HD1 TRP 894 HD TRP 894 -8.103 1.796 -1.963 300 HE1 TRP 894 HE1 TRP 894 -9.391 2.738 0.058 301 HE3 TRP 894 HE3 TRP 894 -12.426 3.145 -4.312 302 HZ2 TRP 894 HZ2 TRP 894 -11.903 3.885 0.584 303 HZ3 TRP 894 HZ3 TRP 894 -14.233 4.150 -2.968 304 HH2 TRP 894 HH TRP 894 -13.966 4.495 -0.575 305 HB2 TRP 894 HB2 TRP 894 -9.504 2.835 -5.049 306 HB3 TRP 894 HB1 TRP 894 -10.407 1.346 -4.819 307 HA PRO 895 HA PRO 895 -9.420 -0.659 -8.319 308 HB2 PRO 895 HB2 PRO 895 -7.939 0.478 -10.301 309 HB3 PRO 895 HB1 PRO 895 -9.494 1.113 -9.750 310 HG2 PRO 895 HG2 PRO 895 -6.728 1.972 -8.966 311 HG3 PRO 895 HG1 PRO 895 -8.121 2.974 -9.421 312 HD2 PRO 895 HD2 PRO 895 -7.474 2.633 -6.869 313 HD3 PRO 895 HD1 PRO 895 -9.172 2.651 -7.372 314 H CYS 896 H CYS 896 -6.239 -0.233 -7.101 315 HA CYS 896 HA CYS 896 -5.019 -2.083 -8.943 316 HB2 CYS 896 HB2 CYS 896 -3.975 -0.800 -6.438 317 HB3 CYS 896 HB1 CYS 896 -3.013 -1.595 -7.679 318 H VAL 897 H VAL 897 -6.596 -2.128 -5.917 319 HA VAL 897 HA VAL 897 -5.712 -4.886 -5.503 320 HB VAL 897 HB VAL 897 -6.163 -4.477 -3.017 321 HG11 VAL 897 HG11 VAL 897 -3.970 -2.901 -4.370 322 HG12 VAL 897 HG12 VAL 897 -3.910 -4.623 -3.996 323 HG13 VAL 897 HG13 VAL 897 -3.968 -3.435 -2.690 324 HG21 VAL 897 HG21 VAL 897 -6.174 -2.234 -2.219 325 HG22 VAL 897 HG22 VAL 897 -7.400 -2.318 -3.512 326 HG23 VAL 897 HG23 VAL 897 -5.826 -1.621 -3.831 327 H GLY 898 H GLY 898 -8.229 -3.243 -6.551 328 HA2 GLY 898 HA2 GLY 898 -10.286 -4.186 -7.108 329 HA3 GLY 898 HA1 GLY 898 -9.960 -5.478 -5.971 330 H ILE 899 H ILE 899 -9.661 -2.215 -4.892 331 HA ILE 899 HA ILE 899 -11.978 -2.633 -3.164 332 HB ILE 899 HB ILE 899 -10.052 -0.295 -3.209 333 HG12 ILE 899 HG12 ILE 899 -9.028 -2.544 -2.662 334 HG13 ILE 899 HG11 ILE 899 -8.798 -1.291 -1.436 335 HG21 ILE 899 HG21 ILE 899 -12.199 0.237 -2.161 336 HG22 ILE 899 HG22 ILE 899 -10.937 0.167 -0.942 337 HG23 ILE 899 HG23 ILE 899 -12.056 -1.182 -1.122 338 HD11 ILE 899 HD11 ILE 899 -9.248 -3.447 -0.488 339 HD12 ILE 899 HD12 ILE 899 -10.776 -3.564 -1.391 340 HD13 ILE 899 HD13 ILE 899 -10.552 -2.314 -0.146 341 H MET 900 H MET 900 -13.842 -1.837 -3.745 342 HA MET 900 HA MET 900 -13.913 0.304 -5.768 343 HB2 MET 900 HB2 MET 900 -15.970 -0.710 -6.608 344 HB3 MET 900 HB1 MET 900 -14.637 -1.855 -6.654 345 HG2 MET 900 HG2 MET 900 -15.509 -2.763 -4.464 346 HG3 MET 900 HG1 MET 900 -16.944 -1.780 -4.733 347 HE1 MET 900 HE1 MET 900 -16.997 -2.041 -8.023 348 HE2 MET 900 HE2 MET 900 -18.419 -2.017 -6.986 349 HE3 MET 900 HE3 MET 900 -18.211 -3.316 -8.165 350 H ALA 901 H ALA 901 -14.526 -0.423 -2.616 351 HA ALA 901 HA ALA 901 -16.074 1.931 -2.162 352 HB1 ALA 901 HB1 ALA 901 -17.878 0.326 -2.641 353 HB2 ALA 901 HB2 ALA 901 -17.858 0.732 -0.922 354 HB3 ALA 901 HB3 ALA 901 -17.191 -0.806 -1.477 355 H ALA 902 H ALA 902 -15.920 2.480 0.051 356 HA ALA 902 HA ALA 902 -13.490 1.813 1.199 357 HB1 ALA 902 HB1 ALA 902 -14.242 3.145 3.122 358 HB2 ALA 902 HB2 ALA 902 -15.884 3.131 2.476 359 HB3 ALA 902 HB3 ALA 902 -14.598 3.948 1.593 360 HA PRO 903 HA PRO 903 -14.851 -2.046 3.060 361 HB2 PRO 903 HB2 PRO 903 -12.389 -2.813 3.894 362 HB3 PRO 903 HB1 PRO 903 -12.878 -2.927 2.199 363 HG2 PRO 903 HG2 PRO 903 -11.246 -0.815 3.558 364 HG3 PRO 903 HG1 PRO 903 -10.961 -1.618 2.003 365 HD2 PRO 903 HD2 PRO 903 -12.090 0.847 2.173 366 HD3 PRO 903 HD1 PRO 903 -12.515 -0.304 0.901 367 HA PRO 904 HA PRO 904 -15.300 -1.089 7.386 368 HB2 PRO 904 HB2 PRO 904 -14.205 -3.751 8.007 369 HB3 PRO 904 HB1 PRO 904 -15.736 -3.037 8.507 370 HG2 PRO 904 HG2 PRO 904 -15.671 -4.922 6.625 371 HG3 PRO 904 HG1 PRO 904 -16.799 -3.558 6.511 372 HD2 PRO 904 HD2 PRO 904 -14.262 -4.063 5.030 373 HD3 PRO 904 HD1 PRO 904 -15.766 -3.293 4.482 374 H GLU 905 H GLU 905 -13.994 0.113 8.436 375 HA GLU 905 HA GLU 905 -11.205 0.181 8.182 376 HB2 GLU 905 HB2 GLU 905 -11.288 1.883 9.978 377 HB3 GLU 905 HB1 GLU 905 -12.404 2.176 8.652 378 HG2 GLU 905 HG2 GLU 905 -14.245 1.316 9.982 379 HG3 GLU 905 HG1 GLU 905 -13.137 0.959 11.301 380 H GLU 906 H GLU 906 -13.120 -1.705 10.296 381 HA GLU 906 HA GLU 906 -10.998 -2.010 12.246 382 HB2 GLU 906 HB2 GLU 906 -12.519 -3.561 13.392 383 HB3 GLU 906 HB1 GLU 906 -13.281 -2.009 13.082 384 HG2 GLU 906 HG2 GLU 906 -14.562 -2.919 11.284 385 HG3 GLU 906 HG1 GLU 906 -13.674 -4.443 11.359 386 H MET 907 H MET 907 -11.689 -3.291 9.256 387 HA MET 907 HA MET 907 -10.848 -5.994 9.811 388 HB2 MET 907 HB2 MET 907 -12.444 -5.612 7.992 389 HB3 MET 907 HB1 MET 907 -11.294 -4.560 7.178 390 HG2 MET 907 HG2 MET 907 -9.743 -6.503 7.005 391 HG3 MET 907 HG1 MET 907 -11.023 -7.517 7.655 392 HE1 MET 907 HE1 MET 907 -13.724 -7.347 4.824 393 HE2 MET 907 HE2 MET 907 -13.623 -6.302 6.238 394 HE3 MET 907 HE3 MET 907 -13.293 -8.026 6.393 395 H GLN 908 H GLN 908 -8.806 -6.736 9.685 396 HA GLN 908 HA GLN 908 -6.699 -4.857 9.233 397 HB2 GLN 908 HB2 GLN 908 -6.513 -7.859 9.503 398 HB3 GLN 908 HB1 GLN 908 -5.197 -6.719 9.667 399 HG2 GLN 908 HG2 GLN 908 -7.548 -6.973 11.536 400 HG3 GLN 908 HG1 GLN 908 -5.894 -7.498 11.849 401 HE21 GLN 908 HE21 GLN 908 -4.335 -5.954 12.300 402 HE22 GLN 908 HE22 GLN 908 -4.741 -4.327 12.708 403 H TRP 909 H TRP 909 -5.483 -4.713 7.447 404 HA TRP 909 HA TRP 909 -6.178 -6.402 5.186 405 HD1 TRP 909 HD TRP 909 -8.284 -5.542 2.780 406 HE1 TRP 909 HE1 TRP 909 -7.516 -5.112 0.326 407 HE3 TRP 909 HE3 TRP 909 -4.092 -2.781 3.672 408 HZ2 TRP 909 HZ2 TRP 909 -5.440 -3.779 -1.002 409 HZ3 TRP 909 HZ3 TRP 909 -2.769 -1.967 1.771 410 HH2 TRP 909 HH TRP 909 -3.423 -2.456 -0.516 411 HB2 TRP 909 HB2 TRP 909 -7.619 -4.370 5.086 412 HB3 TRP 909 HB1 TRP 909 -6.175 -3.373 5.115 413 H PHE 910 H PHE 910 -4.488 -6.815 3.969 414 HA PHE 910 HA PHE 910 -2.037 -5.349 4.468 415 HD1 PHE 910 HD2 PHE 910 -0.115 -6.355 6.303 416 HD2 PHE 910 HD1 PHE 910 -3.584 -8.816 6.162 417 HE1 PHE 910 HE2 PHE 910 -0.149 -6.450 8.762 418 HE2 PHE 910 HE1 PHE 910 -3.625 -8.903 8.618 419 HZ PHE 910 HZ PHE 910 -1.913 -7.710 9.915 420 HB2 PHE 910 HB2 PHE 910 -2.361 -8.353 4.179 421 HB3 PHE 910 HB1 PHE 910 -0.812 -7.515 4.230 422 H CYS 911 H CYS 911 -0.917 -4.940 2.678 423 HA CYS 911 HA CYS 911 -2.289 -4.715 0.251 424 HB2 CYS 911 HB2 CYS 911 -0.053 -3.968 -0.503 425 HB3 CYS 911 HB1 CYS 911 -0.629 -3.178 0.956 426 HA PRO 912 HA PRO 912 -1.319 -8.403 -2.115 427 HB2 PRO 912 HB2 PRO 912 0.049 -7.295 -4.284 428 HB3 PRO 912 HB1 PRO 912 -1.704 -7.461 -4.167 429 HG2 PRO 912 HG2 PRO 912 0.008 -5.074 -3.565 430 HG3 PRO 912 HG1 PRO 912 -1.571 -5.149 -4.371 431 HD2 PRO 912 HD2 PRO 912 -1.418 -4.351 -1.869 432 HD3 PRO 912 HD1 PRO 912 -2.716 -5.445 -2.374 433 H LYS 913 H LYS 913 1.082 -6.250 -1.033 434 HA LYS 913 HA LYS 913 3.331 -7.939 -1.677 435 HB2 LYS 913 HB2 LYS 913 3.156 -5.477 0.071 436 HB3 LYS 913 HB1 LYS 913 4.642 -6.268 -0.422 437 HG2 LYS 913 HG2 LYS 913 2.662 -4.930 -2.262 438 HG3 LYS 913 HG1 LYS 913 4.184 -4.227 -1.736 439 HD2 LYS 913 HD2 LYS 913 3.866 -6.753 -3.375 440 HD3 LYS 913 HD1 LYS 913 4.323 -5.168 -3.989 441 HE2 LYS 913 HE2 LYS 913 6.358 -5.212 -2.654 442 HE3 LYS 913 HE1 LYS 913 5.896 -6.766 -1.964 443 HZ1 LYS 913 HZ1 LYS 913 6.432 -6.258 -4.832 444 HZ2 LYS 913 HZ2 LYS 913 6.013 -7.739 -4.160 445 HZ3 LYS 913 HZ3 LYS 913 7.481 -7.027 -3.762 446 H CYS 914 H CYS 914 1.838 -6.694 1.361 447 HA CYS 914 HA CYS 914 3.226 -8.664 2.846 448 HB2 CYS 914 HB2 CYS 914 1.125 -6.687 3.681 449 HB3 CYS 914 HB1 CYS 914 1.917 -7.793 4.805 450 H ALA 915 H ALA 915 0.077 -8.560 1.451 451 HA ALA 915 HA ALA 915 -0.972 -10.733 2.896 452 HB1 ALA 915 HB1 ALA 915 -2.599 -10.930 1.062 453 HB2 ALA 915 HB2 ALA 915 -1.624 -9.822 0.092 454 HB3 ALA 915 HB3 ALA 915 -2.402 -9.250 1.562 455 H ASN 916 H ASN 916 1.107 -10.447 0.079 456 HA ASN 916 HA ASN 916 0.986 -13.223 -0.568 457 HB2 ASN 916 HB2 ASN 916 1.661 -11.471 -2.233 458 HB3 ASN 916 HB1 ASN 916 3.151 -11.237 -1.332 459 HD21 ASN 916 HD21 ASN 916 1.605 -14.352 -1.926 460 HD22 ASN 916 HD22 ASN 916 2.855 -15.004 -2.905 461 H LYS 917 H LYS 917 2.747 -11.343 1.690 462 HA LYS 917 HA LYS 917 4.840 -13.222 2.259 463 HB2 LYS 917 HB2 LYS 917 3.600 -11.109 4.042 464 HB3 LYS 917 HB1 LYS 917 5.104 -11.947 4.369 465 HG2 LYS 917 HG2 LYS 917 6.163 -10.866 2.492 466 HG3 LYS 917 HG1 LYS 917 4.631 -10.135 2.005 467 HD2 LYS 917 HD2 LYS 917 4.573 -8.954 4.225 468 HD3 LYS 917 HD1 LYS 917 6.158 -9.621 4.549 469 HE2 LYS 917 HE2 LYS 917 7.149 -8.398 2.754 470 HE3 LYS 917 HE1 LYS 917 5.571 -7.897 2.150 471 HZ1 LYS 917 HZ1 LYS 917 6.710 -6.140 3.401 472 HZ2 LYS 917 HZ2 LYS 917 6.641 -7.103 4.810 473 HZ3 LYS 917 HZ3 LYS 917 5.226 -6.577 4.064 474 H ILE 918 H ILE 918 1.718 -12.442 3.669 475 HA ILE 918 HA ILE 918 1.745 -14.481 5.647 476 HB ILE 918 HB ILE 918 -0.576 -12.924 4.469 477 HG12 ILE 918 HG12 ILE 918 1.024 -12.485 7.008 478 HG13 ILE 918 HG11 ILE 918 1.130 -11.523 5.544 479 HG21 ILE 918 HG21 ILE 918 -0.477 -14.615 6.970 480 HG22 ILE 918 HG22 ILE 918 -1.400 -14.961 5.508 481 HG23 ILE 918 HG23 ILE 918 -1.818 -13.568 6.504 482 HD11 ILE 918 HD11 ILE 918 -1.292 -11.777 7.307 483 HD12 ILE 918 HD12 ILE 918 -1.172 -10.784 5.851 484 HD13 ILE 918 HD13 ILE 918 -0.179 -10.410 7.262 485 H LYS 919 H LYS 919 0.306 -14.218 2.434 486 HA LYS 919 HA LYS 919 -0.705 -16.947 2.517 487 HB2 LYS 919 HB2 LYS 919 -0.933 -14.791 0.419 488 HB3 LYS 919 HB1 LYS 919 -1.807 -16.318 0.437 489 HG2 LYS 919 HG2 LYS 919 -2.917 -15.680 2.473 490 HG3 LYS 919 HG1 LYS 919 -2.029 -14.165 2.513 491 HD2 LYS 919 HD2 LYS 919 -3.023 -13.509 0.356 492 HD3 LYS 919 HD1 LYS 919 -3.973 -14.993 0.350 493 HE2 LYS 919 HE2 LYS 919 -4.120 -12.805 2.431 494 HE3 LYS 919 HE1 LYS 919 -5.280 -13.063 1.130 495 HZ1 LYS 919 HZ1 LYS 919 -5.853 -15.186 2.077 496 HZ2 LYS 919 HZ2 LYS 919 -6.038 -13.976 3.224 497 HZ3 LYS 919 HZ3 LYS 919 -4.710 -14.998 3.317 498 H LYS 920 H LYS 920 2.103 -16.242 2.458 499 HA LYS 920 HA LYS 920 3.197 -16.819 -0.095 500 HB2 LYS 920 HB2 LYS 920 4.510 -15.768 1.735 501 HB3 LYS 920 HB1 LYS 920 4.437 -17.271 2.634 502 HG2 LYS 920 HG2 LYS 920 6.611 -16.962 1.553 503 HG3 LYS 920 HG1 LYS 920 5.768 -18.382 0.928 504 HD2 LYS 920 HD2 LYS 920 5.079 -17.125 -1.043 505 HD3 LYS 920 HD1 LYS 920 5.855 -15.674 -0.406 506 HE2 LYS 920 HE2 LYS 920 7.294 -18.249 -1.023 507 HE3 LYS 920 HE1 LYS 920 7.187 -16.894 -2.145 508 HZ1 LYS 920 HZ1 LYS 920 8.337 -15.522 -0.509 509 HZ2 LYS 920 HZ2 LYS 920 9.249 -16.840 -0.959 510 HZ3 LYS 920 HZ3 LYS 920 8.477 -16.836 0.543 511 H ASP 921 H ASP 921 2.104 -18.720 2.579 512 HA ASP 921 HA ASP 921 2.090 -21.075 0.888 513 HB2 ASP 921 HB2 ASP 921 4.132 -21.326 2.223 514 HB3 ASP 921 HB1 ASP 921 3.225 -21.011 3.695 515 H LYS 922 H LYS 922 -0.086 -21.245 0.754 516 HA LYS 922 HA LYS 922 -1.747 -20.973 3.072 517 HB2 LYS 922 HB2 LYS 922 -2.736 -20.731 0.789 518 HB3 LYS 922 HB1 LYS 922 -2.352 -22.417 0.456 519 HG2 LYS 922 HG2 LYS 922 -3.861 -23.116 2.268 520 HG3 LYS 922 HG1 LYS 922 -4.260 -21.432 2.579 521 HD2 LYS 922 HD2 LYS 922 -4.774 -22.886 -0.016 522 HD3 LYS 922 HD1 LYS 922 -5.975 -22.620 1.240 523 HE2 LYS 922 HE2 LYS 922 -5.663 -20.176 0.967 524 HE3 LYS 922 HE1 LYS 922 -4.547 -20.492 -0.359 525 HZ1 LYS 922 HZ1 LYS 922 -6.745 -19.996 -1.187 526 HZ2 LYS 922 HZ2 LYS 922 -7.414 -21.235 -0.270 527 HZ3 LYS 922 HZ3 LYS 922 -6.358 -21.602 -1.537 528 H LYS 923 H LYS 923 -1.311 -22.225 4.649 529 HA LYS 923 HA LYS 923 0.090 -24.677 4.190 530 HB2 LYS 923 HB2 LYS 923 0.687 -22.894 5.842 531 HB3 LYS 923 HB1 LYS 923 -0.678 -23.434 6.803 532 HG2 LYS 923 HG2 LYS 923 0.306 -25.620 7.040 533 HG3 LYS 923 HG1 LYS 923 1.637 -25.162 5.976 534 HD2 LYS 923 HD2 LYS 923 0.986 -23.961 8.658 535 HD3 LYS 923 HD1 LYS 923 2.326 -25.047 8.300 536 HE2 LYS 923 HE2 LYS 923 1.942 -22.228 7.245 537 HE3 LYS 923 HE1 LYS 923 3.125 -22.761 8.422 538 HZ1 LYS 923 HZ1 LYS 923 4.118 -24.181 6.631 539 HZ2 LYS 923 HZ2 LYS 923 4.189 -22.539 6.354 540 HZ3 LYS 923 HZ3 LYS 923 3.071 -23.439 5.512 541 H HIS 924 H HIS 924 -0.516 -26.645 4.924 542 HA HIS 924 HA HIS 924 -3.385 -27.076 5.142 543 HD1 HIS 924 HD1 HIS 924 0.014 -28.391 2.716 544 HD2 HIS 924 HD2 HIS 924 -4.125 -28.471 2.388 545 HE1 HIS 924 HE1 HIS 924 -0.469 -28.144 0.264 546 HE2 HIS 924 HE2 HIS 924 -2.942 -27.924 0.126 547 HB2 HIS 924 HB2 HIS 924 -1.105 -29.073 4.860 548 HB3 HIS 924 HB1 HIS 924 -2.818 -29.451 4.795 Start of MODEL 13 1 H1 GLY 850 HT1 GLY 850 22.745 10.861 -4.270 2 H2 GLY 850 HT2 GLY 850 23.347 9.489 -3.482 3 H3 GLY 850 HT3 GLY 850 24.323 10.849 -3.672 4 HA2 GLY 850 HA1 GLY 850 23.523 10.674 -1.437 5 HA3 GLY 850 HA2 GLY 850 22.908 12.117 -2.238 6 H SER 851 H SER 851 21.106 12.196 -0.866 7 HA SER 851 HA SER 851 19.147 10.032 -1.191 8 HG SER 851 HG SER 851 20.202 9.748 0.868 9 HB2 SER 851 HB2 SER 851 19.157 12.361 0.745 10 HB3 SER 851 HB1 SER 851 18.076 10.967 0.779 11 H HIS 852 H HIS 852 19.869 12.114 -3.175 12 HA HIS 852 HA HIS 852 17.570 13.919 -3.273 13 HD2 HIS 852 HD2 HIS 852 19.499 16.927 -3.163 14 HE1 HIS 852 HE1 HIS 852 22.869 14.864 -1.622 15 HE2 HIS 852 HE2 HIS 852 21.810 17.105 -1.978 16 HB2 HIS 852 HB2 HIS 852 19.936 13.691 -5.168 17 HB3 HIS 852 HB1 HIS 852 18.821 15.037 -5.012 18 H MET 853 H MET 853 17.380 11.055 -3.596 19 HA MET 853 HA MET 853 17.262 10.174 -6.252 20 HB2 MET 853 HB2 MET 853 15.731 9.136 -3.874 21 HB3 MET 853 HB1 MET 853 15.912 8.295 -5.401 22 HG2 MET 853 HG2 MET 853 18.133 8.993 -3.490 23 HG3 MET 853 HG1 MET 853 17.391 7.404 -3.684 24 HE1 MET 853 HE1 MET 853 19.793 6.342 -4.009 25 HE2 MET 853 HE2 MET 853 20.535 7.931 -3.823 26 HE3 MET 853 HE3 MET 853 20.965 6.912 -5.198 27 H ALA 854 H ALA 854 14.591 10.817 -4.154 28 HA ALA 854 HA ALA 854 12.410 11.463 -4.479 29 HB1 ALA 854 HB1 ALA 854 13.568 12.998 -6.821 30 HB2 ALA 854 HB2 ALA 854 13.506 13.574 -5.156 31 HB3 ALA 854 HB3 ALA 854 12.010 13.305 -6.054 32 H MET 855 H MET 855 13.335 9.087 -5.695 33 HA MET 855 HA MET 855 11.358 8.706 -7.787 34 HB2 MET 855 HB2 MET 855 12.971 7.320 -9.084 35 HB3 MET 855 HB1 MET 855 13.435 9.008 -9.006 36 HG2 MET 855 HG2 MET 855 15.077 8.501 -7.304 37 HG3 MET 855 HG1 MET 855 14.598 6.804 -7.310 38 HE1 MET 855 HE1 MET 855 16.237 9.736 -9.359 39 HE2 MET 855 HE2 MET 855 14.965 9.207 -10.472 40 HE3 MET 855 HE3 MET 855 16.655 8.931 -10.869 41 H ALA 856 H ALA 856 12.017 5.953 -8.225 42 HA ALA 856 HA ALA 856 11.554 3.918 -7.418 43 HB1 ALA 856 HB1 ALA 856 12.070 3.322 -5.080 44 HB2 ALA 856 HB2 ALA 856 12.152 5.018 -4.646 45 HB3 ALA 856 HB3 ALA 856 13.382 4.329 -5.711 46 H TYR 857 H TYR 857 10.160 3.565 -4.704 47 HA TYR 857 HA TYR 857 7.620 4.200 -5.872 48 HD1 TYR 857 HD2 TYR 857 5.935 1.743 -6.057 49 HD2 TYR 857 HD1 TYR 857 9.831 1.121 -4.532 50 HE1 TYR 857 HE2 TYR 857 6.170 -0.238 -7.510 51 HE2 TYR 857 HE1 TYR 857 10.095 -0.869 -5.957 52 HH TYR 857 HH TYR 857 8.615 -2.520 -7.079 53 HB2 TYR 857 HB2 TYR 857 8.297 2.588 -3.414 54 HB3 TYR 857 HB1 TYR 857 6.671 2.838 -4.023 55 H VAL 858 H VAL 858 9.461 6.199 -4.423 56 HA VAL 858 HA VAL 858 7.253 7.483 -3.064 57 HB VAL 858 HB VAL 858 8.425 6.274 -1.270 58 HG11 VAL 858 HG11 VAL 858 10.636 6.926 -0.486 59 HG12 VAL 858 HG12 VAL 858 10.822 7.952 -1.908 60 HG13 VAL 858 HG13 VAL 858 10.662 6.206 -2.098 61 HG21 VAL 858 HG21 VAL 858 8.664 8.149 0.306 62 HG22 VAL 858 HG22 VAL 858 7.237 8.323 -0.717 63 HG23 VAL 858 HG23 VAL 858 8.683 9.273 -1.051 64 H ILE 859 H ILE 859 7.005 9.423 -3.751 65 HA ILE 859 HA ILE 859 9.341 10.964 -4.746 66 HB ILE 859 HB ILE 859 6.421 11.335 -5.607 67 HG12 ILE 859 HG12 ILE 859 8.644 9.945 -7.117 68 HG13 ILE 859 HG11 ILE 859 7.266 9.151 -6.366 69 HG21 ILE 859 HG21 ILE 859 7.791 13.344 -5.845 70 HG22 ILE 859 HG22 ILE 859 7.348 12.695 -7.422 71 HG23 ILE 859 HG23 ILE 859 8.975 12.436 -6.787 72 HD11 ILE 859 HD11 ILE 859 7.092 11.171 -8.593 73 HD12 ILE 859 HD12 ILE 859 5.747 10.266 -7.892 74 HD13 ILE 859 HD13 ILE 859 7.008 9.426 -8.799 75 H ARG 860 H ARG 860 9.089 13.383 -4.272 76 HA ARG 860 HA ARG 860 7.474 13.662 -1.880 77 HE ARG 860 HE ARG 860 9.354 15.033 0.975 78 HB2 ARG 860 HB2 ARG 860 9.803 15.383 -2.734 79 HB3 ARG 860 HB1 ARG 860 8.831 15.637 -1.290 80 HG2 ARG 860 HG2 ARG 860 9.540 13.286 -0.606 81 HG3 ARG 860 HG1 ARG 860 10.751 13.414 -1.883 82 HD2 ARG 860 HD2 ARG 860 11.793 14.091 0.151 83 HD3 ARG 860 HD1 ARG 860 11.516 15.549 -0.806 84 HH11 ARG 860 HH11 ARG 860 12.578 16.520 0.829 85 HH12 ARG 860 HH12 ARG 860 12.369 17.392 2.269 86 HH21 ARG 860 HH21 ARG 860 9.108 16.242 2.970 87 HH22 ARG 860 HH22 ARG 860 10.424 17.198 3.515 88 H ASP 861 H ASP 861 5.918 14.910 -1.787 89 HA ASP 861 HA ASP 861 4.609 16.034 -4.036 90 HB2 ASP 861 HB2 ASP 861 3.380 15.130 -2.134 91 HB3 ASP 861 HB1 ASP 861 4.204 16.280 -1.083 92 H GLU 862 H GLU 862 3.695 18.281 -3.747 93 HA GLU 862 HA GLU 862 5.635 20.213 -4.283 94 HB2 GLU 862 HB2 GLU 862 2.783 20.624 -3.431 95 HB3 GLU 862 HB1 GLU 862 3.800 21.805 -4.243 96 HG2 GLU 862 HG2 GLU 862 3.895 20.430 -6.215 97 HG3 GLU 862 HG1 GLU 862 2.996 19.152 -5.397 98 H TRP 863 H TRP 863 3.749 19.580 -1.331 99 HA TRP 863 HA TRP 863 5.049 21.720 0.128 100 HD1 TRP 863 HD TRP 863 4.332 18.963 3.406 101 HE1 TRP 863 HE1 TRP 863 4.657 20.382 5.507 102 HE3 TRP 863 HE3 TRP 863 3.230 23.521 1.464 103 HZ2 TRP 863 HZ2 TRP 863 4.456 23.085 6.268 104 HZ3 TRP 863 HZ3 TRP 863 3.313 25.494 2.943 105 HH2 TRP 863 HH TRP 863 3.917 25.271 5.300 106 HB2 TRP 863 HB2 TRP 863 2.770 21.076 0.699 107 HB3 TRP 863 HB1 TRP 863 3.296 19.430 1.046 108 H GLY 864 H GLY 864 5.680 18.459 -0.593 109 HA2 GLY 864 HA2 GLY 864 7.934 17.649 -0.118 110 HA3 GLY 864 HA1 GLY 864 7.795 18.422 1.457 111 H ASN 865 H ASN 865 4.875 17.146 0.627 112 HA ASN 865 HA ASN 865 4.896 15.159 2.607 113 HB2 ASN 865 HB2 ASN 865 2.935 15.390 0.285 114 HB3 ASN 865 HB1 ASN 865 2.721 14.387 1.701 115 HD21 ASN 865 HD21 ASN 865 2.398 17.575 0.361 116 HD22 ASN 865 HD22 ASN 865 1.695 18.262 1.761 117 H GLN 866 H GLN 866 4.541 12.842 2.250 118 HA GLN 866 HA GLN 866 6.344 11.854 0.233 119 HB2 GLN 866 HB2 GLN 866 4.846 10.462 2.452 120 HB3 GLN 866 HB1 GLN 866 5.932 9.654 1.329 121 HG2 GLN 866 HG2 GLN 866 7.796 10.869 2.118 122 HG3 GLN 866 HG1 GLN 866 6.763 11.940 3.060 123 HE21 GLN 866 HE21 GLN 866 6.276 8.487 2.882 124 HE22 GLN 866 HE22 GLN 866 6.723 8.105 4.480 125 H ILE 867 H ILE 867 5.695 11.400 -1.630 126 HA ILE 867 HA ILE 867 2.908 10.744 -2.179 127 HB ILE 867 HB ILE 867 5.256 11.115 -4.023 128 HG12 ILE 867 HG12 ILE 867 4.479 13.224 -3.057 129 HG13 ILE 867 HG11 ILE 867 4.136 13.129 -4.784 130 HG21 ILE 867 HG21 ILE 867 2.362 10.619 -4.737 131 HG22 ILE 867 HG22 ILE 867 3.702 9.503 -4.981 132 HG23 ILE 867 HG23 ILE 867 3.637 11.014 -5.893 133 HD11 ILE 867 HD11 ILE 867 2.267 14.117 -3.620 134 HD12 ILE 867 HD12 ILE 867 2.165 12.717 -2.554 135 HD13 ILE 867 HD13 ILE 867 1.820 12.540 -4.278 136 H TRP 868 H TRP 868 2.386 8.829 -2.001 137 HA TRP 868 HA TRP 868 4.355 6.715 -2.043 138 HD1 TRP 868 HD TRP 868 4.658 5.333 0.289 139 HE1 TRP 868 HE1 TRP 868 4.759 6.203 2.689 140 HE3 TRP 868 HE3 TRP 868 0.456 8.243 0.272 141 HZ2 TRP 868 HZ2 TRP 868 3.258 7.895 4.375 142 HZ3 TRP 868 HZ3 TRP 868 -0.146 9.444 2.328 143 HH2 TRP 868 HH TRP 868 1.224 9.274 4.337 144 HB2 TRP 868 HB2 TRP 868 1.434 6.700 -1.357 145 HB3 TRP 868 HB1 TRP 868 2.412 5.236 -1.415 146 H ILE 869 H ILE 869 4.757 5.485 -3.651 147 HA ILE 869 HA ILE 869 2.891 5.445 -5.866 148 HB ILE 869 HB ILE 869 5.797 4.676 -5.677 149 HG12 ILE 869 HG12 ILE 869 4.345 6.806 -7.236 150 HG13 ILE 869 HG11 ILE 869 5.471 7.053 -5.904 151 HG21 ILE 869 HG21 ILE 869 4.659 3.041 -7.103 152 HG22 ILE 869 HG22 ILE 869 5.719 4.070 -8.065 153 HG23 ILE 869 HG23 ILE 869 3.977 4.351 -8.067 154 HD11 ILE 869 HD11 ILE 869 6.477 7.604 -8.020 155 HD12 ILE 869 HD12 ILE 869 6.087 6.010 -8.653 156 HD13 ILE 869 HD13 ILE 869 7.272 6.175 -7.349 157 H CYS 870 H CYS 870 1.751 3.809 -6.168 158 HA CYS 870 HA CYS 870 1.674 1.692 -4.279 159 HB2 CYS 870 HB2 CYS 870 -0.310 2.801 -5.053 160 HB3 CYS 870 HB1 CYS 870 0.065 2.441 -6.710 161 HA PRO 871 HA PRO 871 4.456 -0.947 -6.749 162 HB2 PRO 871 HB2 PRO 871 3.263 -2.903 -4.849 163 HB3 PRO 871 HB1 PRO 871 4.958 -2.637 -5.275 164 HG2 PRO 871 HG2 PRO 871 4.019 -1.770 -2.954 165 HG3 PRO 871 HG1 PRO 871 5.152 -0.787 -3.904 166 HD2 PRO 871 HD2 PRO 871 2.192 -0.442 -3.569 167 HD3 PRO 871 HD1 PRO 871 3.483 0.768 -3.691 168 H GLY 872 H GLY 872 1.048 -1.224 -6.244 169 HA2 GLY 872 HA2 GLY 872 0.667 -3.629 -7.751 170 HA3 GLY 872 HA1 GLY 872 -0.587 -2.531 -7.204 171 H CYS 873 H CYS 873 0.961 -0.263 -8.615 172 HA CYS 873 HA CYS 873 0.199 -0.950 -11.389 173 HB2 CYS 873 HB2 CYS 873 -0.800 1.320 -11.419 174 HB3 CYS 873 HB1 CYS 873 -1.623 0.161 -10.363 175 H ASN 874 H ASN 874 2.414 0.405 -9.216 176 HA ASN 874 HA ASN 874 4.134 1.704 -9.155 177 HB2 ASN 874 HB2 ASN 874 5.792 1.836 -10.959 178 HB3 ASN 874 HB1 ASN 874 5.194 0.202 -10.843 179 HD21 ASN 874 HD21 ASN 874 5.210 3.125 -12.723 180 HD22 ASN 874 HD22 ASN 874 4.746 2.413 -14.230 181 H LYS 875 H LYS 875 1.572 2.825 -9.610 182 HA LYS 875 HA LYS 875 2.340 5.341 -10.865 183 HB2 LYS 875 HB2 LYS 875 -0.404 4.299 -10.136 184 HB3 LYS 875 HB1 LYS 875 -0.047 5.847 -10.899 185 HG2 LYS 875 HG2 LYS 875 0.768 4.763 -12.865 186 HG3 LYS 875 HG1 LYS 875 0.627 3.182 -12.101 187 HD2 LYS 875 HD2 LYS 875 -1.800 3.491 -11.941 188 HD3 LYS 875 HD1 LYS 875 -1.650 5.060 -12.743 189 HE2 LYS 875 HE2 LYS 875 -2.340 3.372 -14.344 190 HE3 LYS 875 HE1 LYS 875 -0.710 3.918 -14.721 191 HZ1 LYS 875 HZ1 LYS 875 -1.411 1.439 -13.270 192 HZ2 LYS 875 HZ2 LYS 875 0.168 1.923 -13.677 193 HZ3 LYS 875 HZ3 LYS 875 -0.944 1.521 -14.885 194 HA PRO 876 HA PRO 876 2.398 7.190 -6.784 195 HB2 PRO 876 HB2 PRO 876 2.370 9.759 -7.574 196 HB3 PRO 876 HB1 PRO 876 3.819 8.774 -7.715 197 HG2 PRO 876 HG2 PRO 876 1.808 9.516 -9.799 198 HG3 PRO 876 HG1 PRO 876 3.576 9.417 -9.940 199 HD2 PRO 876 HD2 PRO 876 1.898 7.462 -10.848 200 HD3 PRO 876 HD1 PRO 876 3.535 7.139 -10.268 201 H ASP 877 H ASP 877 1.185 8.838 -5.584 202 HA ASP 877 HA ASP 877 -1.559 8.539 -5.622 203 HB2 ASP 877 HB2 ASP 877 -0.602 9.358 -3.617 204 HB3 ASP 877 HB1 ASP 877 0.148 10.724 -4.441 205 H ASP 878 H ASP 878 -3.198 9.611 -6.399 206 HA ASP 878 HA ASP 878 -2.707 11.601 -8.532 207 HB2 ASP 878 HB2 ASP 878 -3.304 9.447 -9.472 208 HB3 ASP 878 HB1 ASP 878 -4.700 9.319 -8.417 209 H GLY 879 H GLY 879 -3.985 11.158 -5.492 210 HA2 GLY 879 HA2 GLY 879 -5.393 12.560 -4.297 211 HA3 GLY 879 HA1 GLY 879 -5.916 13.308 -5.811 212 H SER 880 H SER 880 -5.717 9.966 -5.632 213 HA SER 880 HA SER 880 -8.614 9.691 -5.878 214 HG SER 880 HG SER 880 -8.518 7.823 -8.196 215 HB2 SER 880 HB2 SER 880 -6.899 8.873 -7.634 216 HB3 SER 880 HB1 SER 880 -6.489 7.613 -6.457 217 HA PRO 881 HA PRO 881 -8.835 7.708 -1.889 218 HB2 PRO 881 HB2 PRO 881 -10.144 5.341 -3.105 219 HB3 PRO 881 HB1 PRO 881 -10.744 6.429 -1.852 220 HG2 PRO 881 HG2 PRO 881 -11.716 6.524 -4.346 221 HG3 PRO 881 HG1 PRO 881 -11.485 8.006 -3.392 222 HD2 PRO 881 HD2 PRO 881 -9.785 6.875 -5.581 223 HD3 PRO 881 HD1 PRO 881 -10.231 8.555 -5.280 224 H MET 882 H MET 882 -7.004 6.985 -1.082 225 HA MET 882 HA MET 882 -5.830 4.559 -2.197 226 HB2 MET 882 HB2 MET 882 -4.483 6.768 -0.612 227 HB3 MET 882 HB1 MET 882 -3.696 5.301 -1.176 228 HG2 MET 882 HG2 MET 882 -4.224 5.987 -3.507 229 HG3 MET 882 HG1 MET 882 -4.845 7.504 -2.874 230 HE1 MET 882 HE1 MET 882 -1.634 5.332 -1.925 231 HE2 MET 882 HE2 MET 882 -0.407 6.202 -2.842 232 HE3 MET 882 HE3 MET 882 -1.688 5.342 -3.689 233 H ILE 883 H ILE 883 -4.868 3.124 -0.625 234 HA ILE 883 HA ILE 883 -6.226 3.258 1.956 235 HB ILE 883 HB ILE 883 -7.488 1.705 0.567 236 HG12 ILE 883 HG12 ILE 883 -5.809 0.102 2.511 237 HG13 ILE 883 HG11 ILE 883 -7.116 1.174 2.991 238 HG21 ILE 883 HG21 ILE 883 -4.908 0.237 0.054 239 HG22 ILE 883 HG22 ILE 883 -5.881 1.104 -1.134 240 HG23 ILE 883 HG23 ILE 883 -6.506 -0.348 -0.381 241 HD11 ILE 883 HD11 ILE 883 -7.852 -1.119 2.973 242 HD12 ILE 883 HD12 ILE 883 -7.353 -1.286 1.290 243 HD13 ILE 883 HD13 ILE 883 -8.678 -0.202 1.710 244 H GLY 884 H GLY 884 -5.053 2.399 3.730 245 HA2 GLY 884 HA2 GLY 884 -2.189 2.239 3.173 246 HA3 GLY 884 HA1 GLY 884 -2.926 2.664 4.715 247 H CYS 885 H CYS 885 -0.924 0.673 4.192 248 HA CYS 885 HA CYS 885 -2.293 -1.857 4.412 249 HB2 CYS 885 HB2 CYS 885 -0.197 -1.672 3.110 250 HB3 CYS 885 HB1 CYS 885 0.633 -1.171 4.579 251 H ASP 886 H ASP 886 -1.548 -3.299 6.123 252 HA ASP 886 HA ASP 886 -1.797 -2.077 8.773 253 HB2 ASP 886 HB2 ASP 886 -3.091 -4.136 8.110 254 HB3 ASP 886 HB1 ASP 886 -1.565 -4.977 7.962 255 H ASP 887 H ASP 887 0.391 -3.692 6.658 256 HA ASP 887 HA ASP 887 2.411 -3.994 8.758 257 HB2 ASP 887 HB2 ASP 887 1.762 -5.991 7.447 258 HB3 ASP 887 HB1 ASP 887 2.301 -5.179 5.985 259 H CYS 888 H CYS 888 1.815 -2.545 5.593 260 HA CYS 888 HA CYS 888 4.513 -1.418 5.515 261 HB2 CYS 888 HB2 CYS 888 2.248 -0.999 3.526 262 HB3 CYS 888 HB1 CYS 888 3.914 -0.525 3.332 263 H ASP 889 H ASP 889 4.834 0.816 5.301 264 HA ASP 889 HA ASP 889 2.809 2.470 6.618 265 HB2 ASP 889 HB2 ASP 889 4.548 4.106 7.037 266 HB3 ASP 889 HB1 ASP 889 5.186 2.539 7.497 267 H ASP 890 H ASP 890 3.574 1.446 3.704 268 HA ASP 890 HA ASP 890 3.299 3.888 2.165 269 HB2 ASP 890 HB2 ASP 890 3.601 0.988 1.380 270 HB3 ASP 890 HB1 ASP 890 3.250 2.246 0.207 271 H TRP 891 H TRP 891 1.655 4.054 0.537 272 HA TRP 891 HA TRP 891 -0.872 2.826 1.345 273 HD1 TRP 891 HD TRP 891 0.746 5.239 3.185 274 HE1 TRP 891 HE1 TRP 891 -0.492 5.871 5.355 275 HE3 TRP 891 HE3 TRP 891 -4.017 5.480 1.371 276 HZ2 TRP 891 HZ2 TRP 891 -3.129 6.420 6.179 277 HZ3 TRP 891 HZ3 TRP 891 -5.836 6.071 2.907 278 HH2 TRP 891 HH TRP 891 -5.395 6.529 5.266 279 HB2 TRP 891 HB2 TRP 891 -0.303 5.659 0.459 280 HB3 TRP 891 HB1 TRP 891 -1.917 4.964 0.344 281 H TYR 892 H TYR 892 -2.224 2.143 -0.213 282 HA TYR 892 HA TYR 892 -1.099 1.896 -2.936 283 HD1 TYR 892 HD1 TYR 892 -1.029 -0.024 0.378 284 HD2 TYR 892 HD2 TYR 892 -0.471 -1.273 -3.643 285 HE1 TYR 892 HE1 TYR 892 0.956 -1.274 1.055 286 HE2 TYR 892 HE2 TYR 892 1.522 -2.539 -2.974 287 HH TYR 892 HH TYR 892 2.123 -3.353 0.081 288 HB2 TYR 892 HB2 TYR 892 -2.882 0.023 -1.361 289 HB3 TYR 892 HB1 TYR 892 -2.455 -0.202 -3.050 290 H HIS 893 H HIS 893 -2.980 1.455 -4.502 291 HA HIS 893 HA HIS 893 -5.055 3.485 -3.923 292 HD2 HIS 893 HD2 HIS 893 -4.424 6.038 -5.848 293 HE1 HIS 893 HE1 HIS 893 -0.643 4.856 -7.342 294 HE2 HIS 893 HE2 HIS 893 -2.175 6.773 -7.010 295 HB2 HIS 893 HB2 HIS 893 -4.403 2.201 -6.587 296 HB3 HIS 893 HB1 HIS 893 -5.573 3.476 -6.327 297 H TRP 894 H TRP 894 -7.251 3.005 -4.263 298 HA TRP 894 HA TRP 894 -8.125 0.539 -3.427 299 HD1 TRP 894 HD TRP 894 -7.997 1.965 -1.681 300 HE1 TRP 894 HE1 TRP 894 -9.315 2.872 0.358 301 HE3 TRP 894 HE3 TRP 894 -12.429 2.991 -3.966 302 HZ2 TRP 894 HZ2 TRP 894 -11.878 3.892 0.895 303 HZ3 TRP 894 HZ3 TRP 894 -14.257 3.922 -2.632 304 HH2 TRP 894 HH TRP 894 -13.981 4.355 -0.250 305 HB2 TRP 894 HB2 TRP 894 -9.513 2.812 -4.761 306 HB3 TRP 894 HB1 TRP 894 -10.376 1.309 -4.479 307 HA PRO 895 HA PRO 895 -9.388 -0.780 -7.959 308 HB2 PRO 895 HB2 PRO 895 -7.678 0.152 -9.913 309 HB3 PRO 895 HB1 PRO 895 -9.269 0.838 -9.570 310 HG2 PRO 895 HG2 PRO 895 -6.571 1.745 -8.623 311 HG3 PRO 895 HG1 PRO 895 -7.922 2.720 -9.228 312 HD2 PRO 895 HD2 PRO 895 -7.443 2.544 -6.625 313 HD3 PRO 895 HD1 PRO 895 -9.112 2.519 -7.230 314 H CYS 896 H CYS 896 -6.057 -0.181 -6.987 315 HA CYS 896 HA CYS 896 -4.808 -2.211 -8.497 316 HB2 CYS 896 HB2 CYS 896 -3.999 -0.851 -5.963 317 HB3 CYS 896 HB1 CYS 896 -2.922 -1.579 -7.150 318 H VAL 897 H VAL 897 -6.557 -2.162 -5.563 319 HA VAL 897 HA VAL 897 -5.655 -4.868 -4.950 320 HB VAL 897 HB VAL 897 -6.267 -4.322 -2.540 321 HG11 VAL 897 HG11 VAL 897 -4.131 -3.095 -2.162 322 HG12 VAL 897 HG12 VAL 897 -4.078 -2.710 -3.878 323 HG13 VAL 897 HG13 VAL 897 -3.941 -4.383 -3.350 324 HG21 VAL 897 HG21 VAL 897 -6.223 -1.535 -3.664 325 HG22 VAL 897 HG22 VAL 897 -6.320 -1.921 -1.948 326 HG23 VAL 897 HG23 VAL 897 -7.657 -2.338 -3.033 327 H GLY 898 H GLY 898 -7.994 -3.480 -6.432 328 HA2 GLY 898 HA2 GLY 898 -10.073 -4.224 -7.048 329 HA3 GLY 898 HA1 GLY 898 -9.826 -5.598 -5.982 330 H ILE 899 H ILE 899 -9.962 -2.127 -5.245 331 HA ILE 899 HA ILE 899 -12.343 -2.687 -3.641 332 HB ILE 899 HB ILE 899 -10.055 -0.782 -3.036 333 HG12 ILE 899 HG12 ILE 899 -11.097 -3.224 -1.599 334 HG13 ILE 899 HG11 ILE 899 -9.592 -3.109 -2.491 335 HG21 ILE 899 HG21 ILE 899 -11.244 -0.146 -0.986 336 HG22 ILE 899 HG22 ILE 899 -12.620 -1.134 -1.458 337 HG23 ILE 899 HG23 ILE 899 -12.192 0.287 -2.402 338 HD11 ILE 899 HD11 ILE 899 -9.217 -3.003 -0.097 339 HD12 ILE 899 HD12 ILE 899 -10.301 -1.608 -0.002 340 HD13 ILE 899 HD13 ILE 899 -8.773 -1.475 -0.873 341 H MET 900 H MET 900 -14.024 -1.379 -3.913 342 HA MET 900 HA MET 900 -13.717 0.965 -5.672 343 HB2 MET 900 HB2 MET 900 -15.982 -1.033 -5.772 344 HB3 MET 900 HB1 MET 900 -15.945 0.480 -6.661 345 HG2 MET 900 HG2 MET 900 -13.899 -0.329 -7.810 346 HG3 MET 900 HG1 MET 900 -14.114 -1.876 -7.001 347 HE1 MET 900 HE1 MET 900 -14.124 -3.166 -9.295 348 HE2 MET 900 HE2 MET 900 -13.872 -1.643 -10.148 349 HE3 MET 900 HE3 MET 900 -15.154 -2.742 -10.662 350 H ALA 901 H ALA 901 -14.586 -0.068 -2.627 351 HA ALA 901 HA ALA 901 -15.912 2.348 -2.015 352 HB1 ALA 901 HB1 ALA 901 -17.355 -0.282 -1.685 353 HB2 ALA 901 HB2 ALA 901 -17.827 1.000 -2.808 354 HB3 ALA 901 HB3 ALA 901 -17.900 1.276 -1.062 355 H ALA 902 H ALA 902 -16.020 2.536 0.262 356 HA ALA 902 HA ALA 902 -13.854 1.901 1.620 357 HB1 ALA 902 HB1 ALA 902 -15.042 2.408 3.676 358 HB2 ALA 902 HB2 ALA 902 -16.582 2.192 2.835 359 HB3 ALA 902 HB3 ALA 902 -15.495 3.502 2.367 360 HA PRO 903 HA PRO 903 -14.088 -2.572 2.083 361 HB2 PRO 903 HB2 PRO 903 -11.833 -2.610 3.769 362 HB3 PRO 903 HB1 PRO 903 -11.801 -2.739 2.011 363 HG2 PRO 903 HG2 PRO 903 -11.349 -0.376 3.759 364 HG3 PRO 903 HG1 PRO 903 -10.554 -0.826 2.241 365 HD2 PRO 903 HD2 PRO 903 -12.383 1.098 2.348 366 HD3 PRO 903 HD1 PRO 903 -12.303 0.049 0.941 367 HA PRO 904 HA PRO 904 -15.954 -4.034 5.926 368 HB2 PRO 904 HB2 PRO 904 -13.262 -5.059 6.680 369 HB3 PRO 904 HB1 PRO 904 -14.837 -5.818 6.889 370 HG2 PRO 904 HG2 PRO 904 -13.347 -6.549 4.854 371 HG3 PRO 904 HG1 PRO 904 -15.058 -6.195 4.551 372 HD2 PRO 904 HD2 PRO 904 -12.650 -4.570 3.925 373 HD3 PRO 904 HD1 PRO 904 -14.161 -4.733 3.015 374 H GLU 905 H GLU 905 -15.324 -4.485 8.346 375 HA GLU 905 HA GLU 905 -15.352 -2.137 9.884 376 HB2 GLU 905 HB2 GLU 905 -15.277 -3.706 11.746 377 HB3 GLU 905 HB1 GLU 905 -16.452 -4.166 10.512 378 HG2 GLU 905 HG2 GLU 905 -14.816 -5.801 9.619 379 HG3 GLU 905 HG1 GLU 905 -13.710 -5.364 10.916 380 H GLU 906 H GLU 906 -13.032 -2.132 8.433 381 HA GLU 906 HA GLU 906 -10.817 -1.961 8.352 382 HB2 GLU 906 HB2 GLU 906 -9.715 -0.573 10.155 383 HB3 GLU 906 HB1 GLU 906 -11.072 0.160 9.335 384 HG2 GLU 906 HG2 GLU 906 -12.361 0.166 11.182 385 HG3 GLU 906 HG1 GLU 906 -11.586 -1.261 11.868 386 H MET 907 H MET 907 -11.773 -4.354 9.430 387 HA MET 907 HA MET 907 -9.843 -5.501 11.138 388 HB2 MET 907 HB2 MET 907 -11.886 -6.729 10.451 389 HB3 MET 907 HB1 MET 907 -11.293 -6.794 8.799 390 HG2 MET 907 HG2 MET 907 -10.993 -8.915 9.983 391 HG3 MET 907 HG1 MET 907 -9.460 -8.215 9.475 392 HE1 MET 907 HE1 MET 907 -8.581 -10.033 12.857 393 HE2 MET 907 HE2 MET 907 -8.146 -9.857 11.156 394 HE3 MET 907 HE3 MET 907 -9.698 -10.562 11.600 395 H GLN 908 H GLN 908 -7.894 -6.596 10.622 396 HA GLN 908 HA GLN 908 -6.147 -4.997 9.304 397 HB2 GLN 908 HB2 GLN 908 -5.717 -7.922 9.658 398 HB3 GLN 908 HB1 GLN 908 -4.480 -6.712 9.420 399 HG2 GLN 908 HG2 GLN 908 -5.240 -5.607 11.537 400 HG3 GLN 908 HG1 GLN 908 -6.252 -7.025 11.823 401 HE21 GLN 908 HE21 GLN 908 -3.062 -5.811 11.610 402 HE22 GLN 908 HE22 GLN 908 -2.254 -7.120 12.376 403 H TRP 909 H TRP 909 -5.456 -4.650 7.481 404 HA TRP 909 HA TRP 909 -6.397 -6.255 5.226 405 HD1 TRP 909 HD TRP 909 -8.386 -5.070 2.977 406 HE1 TRP 909 HE1 TRP 909 -7.650 -4.555 0.570 407 HE3 TRP 909 HE3 TRP 909 -4.020 -2.653 3.967 408 HZ2 TRP 909 HZ2 TRP 909 -5.508 -3.291 -0.721 409 HZ3 TRP 909 HZ3 TRP 909 -2.662 -1.812 2.081 410 HH2 TRP 909 HH TRP 909 -3.398 -2.129 -0.218 411 HB2 TRP 909 HB2 TRP 909 -7.577 -4.112 5.338 412 HB3 TRP 909 HB1 TRP 909 -6.042 -3.254 5.387 413 H PHE 910 H PHE 910 -4.878 -6.861 3.808 414 HA PHE 910 HA PHE 910 -2.218 -5.690 4.084 415 HD1 PHE 910 HD2 PHE 910 -0.459 -6.867 5.874 416 HD2 PHE 910 HD1 PHE 910 -3.989 -9.190 5.610 417 HE1 PHE 910 HE2 PHE 910 -0.474 -7.100 8.328 418 HE2 PHE 910 HE1 PHE 910 -4.030 -9.429 8.073 419 HZ PHE 910 HZ PHE 910 -2.268 -8.372 9.423 420 HB2 PHE 910 HB2 PHE 910 -2.847 -8.627 3.685 421 HB3 PHE 910 HB1 PHE 910 -1.238 -7.919 3.745 422 H CYS 911 H CYS 911 -1.150 -5.372 2.218 423 HA CYS 911 HA CYS 911 -2.611 -5.243 -0.201 424 HB2 CYS 911 HB2 CYS 911 -0.337 -4.455 -0.965 425 HB3 CYS 911 HB1 CYS 911 -1.038 -3.550 0.371 426 HA PRO 912 HA PRO 912 -1.365 -9.026 -2.297 427 HB2 PRO 912 HB2 PRO 912 0.100 -7.943 -4.437 428 HB3 PRO 912 HB1 PRO 912 -1.637 -8.244 -4.429 429 HG2 PRO 912 HG2 PRO 912 -0.165 -5.699 -3.849 430 HG3 PRO 912 HG1 PRO 912 -1.675 -5.918 -4.752 431 HD2 PRO 912 HD2 PRO 912 -1.751 -5.003 -2.301 432 HD3 PRO 912 HD1 PRO 912 -2.915 -6.238 -2.809 433 H LYS 913 H LYS 913 0.980 -6.586 -1.516 434 HA LYS 913 HA LYS 913 3.365 -8.109 -1.830 435 HB2 LYS 913 HB2 LYS 913 2.750 -5.654 -0.163 436 HB3 LYS 913 HB1 LYS 913 4.351 -6.339 -0.352 437 HG2 LYS 913 HG2 LYS 913 2.951 -5.664 -2.856 438 HG3 LYS 913 HG1 LYS 913 3.399 -4.309 -1.824 439 HD2 LYS 913 HD2 LYS 913 5.175 -4.721 -3.419 440 HD3 LYS 913 HD1 LYS 913 5.735 -5.132 -1.802 441 HE2 LYS 913 HE2 LYS 913 6.508 -6.805 -3.351 442 HE3 LYS 913 HE1 LYS 913 5.278 -7.514 -2.311 443 HZ1 LYS 913 HZ1 LYS 913 4.871 -6.549 -5.083 444 HZ2 LYS 913 HZ2 LYS 913 3.669 -7.206 -4.104 445 HZ3 LYS 913 HZ3 LYS 913 4.950 -8.159 -4.607 446 H CYS 914 H CYS 914 1.543 -7.104 1.113 447 HA CYS 914 HA CYS 914 3.105 -8.857 2.718 448 HB2 CYS 914 HB2 CYS 914 0.690 -7.218 3.375 449 HB3 CYS 914 HB1 CYS 914 1.581 -8.182 4.560 450 H ALA 915 H ALA 915 0.184 -9.265 1.015 451 HA ALA 915 HA ALA 915 -0.705 -11.534 2.432 452 HB1 ALA 915 HB1 ALA 915 -1.105 -10.815 -0.475 453 HB2 ALA 915 HB2 ALA 915 -2.141 -10.341 0.883 454 HB3 ALA 915 HB3 ALA 915 -2.017 -12.039 0.418 455 H ASN 916 H ASN 916 1.915 -11.011 0.284 456 HA ASN 916 HA ASN 916 2.352 -13.800 -0.303 457 HB2 ASN 916 HB2 ASN 916 3.073 -12.021 -1.889 458 HB3 ASN 916 HB1 ASN 916 4.189 -11.416 -0.676 459 HD21 ASN 916 HD21 ASN 916 3.595 -14.815 -1.349 460 HD22 ASN 916 HD22 ASN 916 5.168 -15.148 -1.962 461 H LYS 917 H LYS 917 3.523 -11.350 1.958 462 HA LYS 917 HA LYS 917 5.516 -12.965 3.105 463 HB2 LYS 917 HB2 LYS 917 4.021 -10.693 4.424 464 HB3 LYS 917 HB1 LYS 917 5.522 -11.402 4.994 465 HG2 LYS 917 HG2 LYS 917 6.271 -10.715 2.512 466 HG3 LYS 917 HG1 LYS 917 5.047 -9.481 2.802 467 HD2 LYS 917 HD2 LYS 917 7.408 -10.097 4.560 468 HD3 LYS 917 HD1 LYS 917 7.271 -8.737 3.453 469 HE2 LYS 917 HE2 LYS 917 5.381 -9.173 5.772 470 HE3 LYS 917 HE1 LYS 917 6.867 -8.243 5.923 471 HZ1 LYS 917 HZ1 LYS 917 5.969 -6.819 4.091 472 HZ2 LYS 917 HZ2 LYS 917 5.151 -6.706 5.532 473 HZ3 LYS 917 HZ3 LYS 917 4.461 -7.543 4.280 474 H ILE 918 H ILE 918 2.138 -12.402 3.980 475 HA ILE 918 HA ILE 918 2.091 -14.206 6.174 476 HB ILE 918 HB ILE 918 -0.187 -13.355 4.345 477 HG12 ILE 918 HG12 ILE 918 0.668 -12.294 7.045 478 HG13 ILE 918 HG11 ILE 918 0.928 -11.490 5.501 479 HG21 ILE 918 HG21 ILE 918 -0.303 -14.645 7.083 480 HG22 ILE 918 HG22 ILE 918 -0.754 -15.410 5.564 481 HG23 ILE 918 HG23 ILE 918 -1.691 -14.046 6.172 482 HD11 ILE 918 HD11 ILE 918 -1.730 -12.109 6.756 483 HD12 ILE 918 HD12 ILE 918 -1.487 -11.305 5.205 484 HD13 ILE 918 HD13 ILE 918 -0.945 -10.531 6.694 485 H LYS 919 H LYS 919 1.580 -14.516 2.715 486 HA LYS 919 HA LYS 919 1.940 -16.095 1.302 487 HB2 LYS 919 HB2 LYS 919 3.689 -16.829 2.837 488 HB3 LYS 919 HB1 LYS 919 2.525 -17.863 3.648 489 HG2 LYS 919 HG2 LYS 919 2.196 -18.998 1.483 490 HG3 LYS 919 HG1 LYS 919 3.551 -18.065 0.849 491 HD2 LYS 919 HD2 LYS 919 3.652 -20.014 3.169 492 HD3 LYS 919 HD1 LYS 919 4.394 -20.237 1.584 493 HE2 LYS 919 HE2 LYS 919 5.876 -18.344 1.989 494 HE3 LYS 919 HE1 LYS 919 5.106 -18.048 3.545 495 HZ1 LYS 919 HZ1 LYS 919 5.855 -20.251 4.247 496 HZ2 LYS 919 HZ2 LYS 919 7.107 -19.193 3.899 497 HZ3 LYS 919 HZ3 LYS 919 6.726 -20.417 2.804 498 H LYS 920 H LYS 920 0.481 -17.194 0.174 499 HA LYS 920 HA LYS 920 -1.976 -17.912 1.539 500 HB2 LYS 920 HB2 LYS 920 -1.786 -16.764 -0.785 501 HB3 LYS 920 HB1 LYS 920 -1.414 -18.366 -1.393 502 HG2 LYS 920 HG2 LYS 920 -3.584 -19.179 -0.567 503 HG3 LYS 920 HG1 LYS 920 -3.954 -17.552 0.017 504 HD2 LYS 920 HD2 LYS 920 -3.657 -16.729 -2.306 505 HD3 LYS 920 HD1 LYS 920 -3.480 -18.399 -2.834 506 HE2 LYS 920 HE2 LYS 920 -5.730 -17.792 -3.269 507 HE3 LYS 920 HE1 LYS 920 -5.766 -18.814 -1.836 508 HZ1 LYS 920 HZ1 LYS 920 -5.957 -16.785 -0.464 509 HZ2 LYS 920 HZ2 LYS 920 -7.196 -16.895 -1.564 510 HZ3 LYS 920 HZ3 LYS 920 -5.920 -15.845 -1.863 511 H ASP 921 H ASP 921 0.853 -19.353 0.197 512 HA ASP 921 HA ASP 921 1.850 -21.346 0.435 513 HB2 ASP 921 HB2 ASP 921 1.186 -20.935 2.849 514 HB3 ASP 921 HB1 ASP 921 -0.264 -21.875 2.572 515 H LYS 922 H LYS 922 0.677 -23.906 0.964 516 HA LYS 922 HA LYS 922 -0.430 -24.431 -1.669 517 HB2 LYS 922 HB2 LYS 922 0.324 -26.317 0.582 518 HB3 LYS 922 HB1 LYS 922 -0.112 -26.781 -1.055 519 HG2 LYS 922 HG2 LYS 922 1.889 -25.744 -1.930 520 HG3 LYS 922 HG1 LYS 922 2.289 -25.110 -0.338 521 HD2 LYS 922 HD2 LYS 922 3.619 -27.100 -0.834 522 HD3 LYS 922 HD1 LYS 922 2.537 -27.393 0.522 523 HE2 LYS 922 HE2 LYS 922 2.545 -29.317 -0.939 524 HE3 LYS 922 HE1 LYS 922 0.973 -28.543 -1.004 525 HZ1 LYS 922 HZ1 LYS 922 3.134 -28.245 -3.017 526 HZ2 LYS 922 HZ2 LYS 922 1.627 -27.515 -3.128 527 HZ3 LYS 922 HZ3 LYS 922 1.761 -29.193 -3.190 528 H LYS 923 H LYS 923 -2.239 -23.079 -0.754 529 HA LYS 923 HA LYS 923 -3.996 -23.857 1.237 530 HB2 LYS 923 HB2 LYS 923 -4.045 -21.670 0.083 531 HB3 LYS 923 HB1 LYS 923 -4.714 -22.473 -1.333 532 HG2 LYS 923 HG2 LYS 923 -6.618 -23.240 0.154 533 HG3 LYS 923 HG1 LYS 923 -5.991 -22.135 1.370 534 HD2 LYS 923 HD2 LYS 923 -7.728 -21.000 0.214 535 HD3 LYS 923 HD1 LYS 923 -6.199 -20.302 -0.319 536 HE2 LYS 923 HE2 LYS 923 -7.660 -20.632 -2.211 537 HE3 LYS 923 HE1 LYS 923 -6.282 -21.711 -2.350 538 HZ1 LYS 923 HZ1 LYS 923 -7.740 -23.562 -1.559 539 HZ2 LYS 923 HZ2 LYS 923 -8.422 -22.787 -2.898 540 HZ3 LYS 923 HZ3 LYS 923 -8.976 -22.445 -1.364 541 H HIS 924 H HIS 924 -5.416 -25.423 1.384 542 HA HIS 924 HA HIS 924 -6.020 -27.004 -0.972 543 HD1 HIS 924 HD1 HIS 924 -4.984 -28.190 3.314 544 HD2 HIS 924 HD2 HIS 924 -4.550 -29.325 -0.657 545 HE1 HIS 924 HE1 HIS 924 -2.842 -29.467 3.215 546 HE2 HIS 924 HE2 HIS 924 -2.477 -29.860 0.755 547 HB2 HIS 924 HB2 HIS 924 -6.859 -27.392 1.926 548 HB3 HIS 924 HB1 HIS 924 -7.219 -28.504 0.613 Start of MODEL 14 1 H1 GLY 850 HT1 GLY 850 18.180 8.838 -8.145 2 H2 GLY 850 HT2 GLY 850 19.387 7.693 -8.208 3 H3 GLY 850 HT3 GLY 850 19.220 8.797 -9.489 4 HA2 GLY 850 HA1 GLY 850 21.078 9.358 -8.042 5 HA3 GLY 850 HA2 GLY 850 19.805 10.578 -7.922 6 H SER 851 H SER 851 20.630 11.062 -5.800 7 HA SER 851 HA SER 851 20.489 9.073 -3.756 8 HG SER 851 HG SER 851 21.773 10.395 -1.739 9 HB2 SER 851 HB2 SER 851 21.983 11.100 -3.683 10 HB3 SER 851 HB1 SER 851 20.545 12.103 -3.527 11 H HIS 852 H HIS 852 18.774 8.852 -2.238 12 HA HIS 852 HA HIS 852 16.265 9.631 -3.340 13 HD2 HIS 852 HD2 HIS 852 17.925 6.868 -3.808 14 HE1 HIS 852 HE1 HIS 852 14.297 4.676 -3.864 15 HE2 HIS 852 HE2 HIS 852 16.697 4.770 -4.697 16 HB2 HIS 852 HB2 HIS 852 16.950 7.904 -0.971 17 HB3 HIS 852 HB1 HIS 852 15.306 8.435 -1.273 18 H MET 853 H MET 853 16.701 11.775 -3.220 19 HA MET 853 HA MET 853 15.785 12.969 -0.690 20 HB2 MET 853 HB2 MET 853 17.435 14.266 -2.878 21 HB3 MET 853 HB1 MET 853 16.834 15.079 -1.443 22 HG2 MET 853 HG2 MET 853 18.240 13.665 -0.045 23 HG3 MET 853 HG1 MET 853 18.843 12.844 -1.484 24 HE1 MET 853 HE1 MET 853 21.921 15.015 -0.366 25 HE2 MET 853 HE2 MET 853 21.355 13.398 -0.782 26 HE3 MET 853 HE3 MET 853 20.752 14.195 0.673 27 H ALA 854 H ALA 854 15.825 13.432 -4.109 28 HA ALA 854 HA ALA 854 13.086 14.497 -3.994 29 HB1 ALA 854 HB1 ALA 854 14.703 15.898 -5.207 30 HB2 ALA 854 HB2 ALA 854 13.447 15.304 -6.288 31 HB3 ALA 854 HB3 ALA 854 15.041 14.561 -6.305 32 H MET 855 H MET 855 14.261 11.694 -3.949 33 HA MET 855 HA MET 855 12.379 10.511 -5.879 34 HB2 MET 855 HB2 MET 855 14.959 9.314 -4.823 35 HB3 MET 855 HB1 MET 855 13.791 8.483 -5.833 36 HG2 MET 855 HG2 MET 855 14.264 10.022 -7.655 37 HG3 MET 855 HG1 MET 855 15.398 10.891 -6.621 38 HE1 MET 855 HE1 MET 855 14.618 7.476 -8.405 39 HE2 MET 855 HE2 MET 855 14.898 6.952 -6.739 40 HE3 MET 855 HE3 MET 855 16.048 6.526 -8.006 41 H ALA 856 H ALA 856 10.666 9.959 -4.642 42 HA ALA 856 HA ALA 856 11.189 8.319 -2.353 43 HB1 ALA 856 HB1 ALA 856 9.598 10.860 -2.036 44 HB2 ALA 856 HB2 ALA 856 11.228 10.563 -1.408 45 HB3 ALA 856 HB3 ALA 856 9.872 9.603 -0.819 46 H TYR 857 H TYR 857 9.053 7.700 -1.358 47 HA TYR 857 HA TYR 857 7.268 6.991 -3.555 48 HD1 TYR 857 HD1 TYR 857 7.775 4.119 -4.268 49 HD2 TYR 857 HD2 TYR 857 10.203 5.635 -1.124 50 HE1 TYR 857 HE1 TYR 857 9.767 3.255 -5.391 51 HE2 TYR 857 HE2 TYR 857 12.187 4.799 -2.208 52 HH TYR 857 HH TYR 857 12.124 3.787 -5.444 53 HB2 TYR 857 HB2 TYR 857 7.756 5.582 -0.904 54 HB3 TYR 857 HB1 TYR 857 6.757 4.979 -2.237 55 H VAL 858 H VAL 858 7.676 9.013 -1.181 56 HA VAL 858 HA VAL 858 4.843 9.661 -0.971 57 HB VAL 858 HB VAL 858 6.911 10.216 1.191 58 HG11 VAL 858 HG11 VAL 858 3.920 10.597 1.140 59 HG12 VAL 858 HG12 VAL 858 5.142 11.868 1.096 60 HG13 VAL 858 HG13 VAL 858 4.956 10.867 2.539 61 HG21 VAL 858 HG21 VAL 858 4.695 8.191 1.234 62 HG22 VAL 858 HG22 VAL 858 5.775 8.566 2.578 63 HG23 VAL 858 HG23 VAL 858 6.413 7.825 1.101 64 H ILE 859 H ILE 859 4.830 11.195 -2.386 65 HA ILE 859 HA ILE 859 7.052 13.118 -2.561 66 HB ILE 859 HB ILE 859 4.829 12.658 -4.614 67 HG12 ILE 859 HG12 ILE 859 7.652 11.548 -4.619 68 HG13 ILE 859 HG11 ILE 859 6.195 10.612 -4.322 69 HG21 ILE 859 HG21 ILE 859 7.477 14.077 -4.810 70 HG22 ILE 859 HG22 ILE 859 5.884 14.835 -4.766 71 HG23 ILE 859 HG23 ILE 859 6.342 13.817 -6.135 72 HD11 ILE 859 HD11 ILE 859 5.426 11.043 -6.578 73 HD12 ILE 859 HD12 ILE 859 7.056 10.354 -6.612 74 HD13 ILE 859 HD13 ILE 859 6.821 12.079 -6.872 75 H ARG 860 H ARG 860 6.453 15.393 -2.671 76 HA ARG 860 HA ARG 860 3.874 15.873 -1.409 77 HE ARG 860 HE ARG 860 6.405 16.408 2.740 78 HB2 ARG 860 HB2 ARG 860 6.350 17.577 -1.520 79 HB3 ARG 860 HB1 ARG 860 4.805 18.148 -0.909 80 HG2 ARG 860 HG2 ARG 860 4.850 16.423 0.819 81 HG3 ARG 860 HG1 ARG 860 6.405 15.858 0.201 82 HD2 ARG 860 HD2 ARG 860 7.402 17.998 0.666 83 HD3 ARG 860 HD1 ARG 860 5.851 18.635 1.219 84 HH11 ARG 860 HH11 ARG 860 7.874 19.569 2.126 85 HH12 ARG 860 HH12 ARG 860 8.555 19.732 3.678 86 HH21 ARG 860 HH21 ARG 860 7.365 16.605 4.881 87 HH22 ARG 860 HH22 ARG 860 8.260 18.011 5.281 88 H ASP 861 H ASP 861 2.352 16.660 -2.482 89 HA ASP 861 HA ASP 861 2.448 17.448 -5.214 90 HB2 ASP 861 HB2 ASP 861 0.443 16.481 -4.165 91 HB3 ASP 861 HB1 ASP 861 0.384 17.848 -3.056 92 H GLU 862 H GLU 862 1.306 19.666 -5.707 93 HA GLU 862 HA GLU 862 3.158 21.729 -4.942 94 HB2 GLU 862 HB2 GLU 862 0.649 21.894 -6.600 95 HB3 GLU 862 HB1 GLU 862 1.866 23.161 -6.457 96 HG2 GLU 862 HG2 GLU 862 2.299 20.412 -7.541 97 HG3 GLU 862 HG1 GLU 862 2.110 21.874 -8.523 98 H TRP 863 H TRP 863 -0.022 20.757 -4.032 99 HA TRP 863 HA TRP 863 -0.394 23.119 -2.369 100 HD1 TRP 863 HD TRP 863 -3.150 20.611 -0.101 101 HE1 TRP 863 HE1 TRP 863 -4.478 22.372 1.248 102 HE3 TRP 863 HE3 TRP 863 -2.455 24.640 -3.142 103 HZ2 TRP 863 HZ2 TRP 863 -5.132 25.113 1.027 104 HZ3 TRP 863 HZ3 TRP 863 -3.452 26.792 -2.506 105 HH2 TRP 863 HH TRP 863 -4.763 27.017 -0.468 106 HB2 TRP 863 HB2 TRP 863 -2.329 21.947 -3.477 107 HB3 TRP 863 HB1 TRP 863 -2.027 20.562 -2.428 108 H GLY 864 H GLY 864 1.263 20.260 -2.234 109 HA2 GLY 864 HA2 GLY 864 2.688 19.579 -0.520 110 HA3 GLY 864 HA1 GLY 864 1.753 20.530 0.621 111 H ASN 865 H ASN 865 0.005 18.548 -1.512 112 HA ASN 865 HA ASN 865 -1.074 16.921 0.585 113 HB2 ASN 865 HB2 ASN 865 -1.294 16.485 -2.416 114 HB3 ASN 865 HB1 ASN 865 -2.301 15.748 -1.185 115 HD21 ASN 865 HD21 ASN 865 -3.030 17.361 -3.477 116 HD22 ASN 865 HD22 ASN 865 -3.902 18.710 -2.856 117 H GLN 866 H GLN 866 -0.804 14.653 0.854 118 HA GLN 866 HA GLN 866 1.842 13.760 0.256 119 HB2 GLN 866 HB2 GLN 866 -0.460 12.386 1.614 120 HB3 GLN 866 HB1 GLN 866 1.131 11.675 1.412 121 HG2 GLN 866 HG2 GLN 866 2.117 13.395 2.738 122 HG3 GLN 866 HG1 GLN 866 0.564 14.228 2.830 123 HE21 GLN 866 HE21 GLN 866 2.442 11.514 3.912 124 HE22 GLN 866 HE22 GLN 866 1.397 11.014 5.192 125 H ILE 867 H ILE 867 2.288 13.134 -1.584 126 HA ILE 867 HA ILE 867 0.393 11.617 -3.212 127 HB ILE 867 HB ILE 867 3.146 12.630 -3.802 128 HG12 ILE 867 HG12 ILE 867 1.555 14.457 -3.708 129 HG13 ILE 867 HG11 ILE 867 2.065 14.151 -5.370 130 HG21 ILE 867 HG21 ILE 867 1.202 11.244 -5.654 131 HG22 ILE 867 HG22 ILE 867 2.691 10.570 -5.027 132 HG23 ILE 867 HG23 ILE 867 2.754 11.931 -6.153 133 HD11 ILE 867 HD11 ILE 867 -0.308 14.627 -5.272 134 HD12 ILE 867 HD12 ILE 867 -0.534 13.273 -4.157 135 HD13 ILE 867 HD13 ILE 867 0.012 12.975 -5.814 136 H TRP 868 H TRP 868 0.424 9.597 -2.910 137 HA TRP 868 HA TRP 868 2.884 8.325 -1.961 138 HD1 TRP 868 HD TRP 868 3.000 7.401 0.588 139 HE1 TRP 868 HE1 TRP 868 2.206 8.413 2.814 140 HE3 TRP 868 HE3 TRP 868 -1.741 8.664 -0.789 141 HZ2 TRP 868 HZ2 TRP 868 -0.165 9.599 3.843 142 HZ3 TRP 868 HZ3 TRP 868 -3.215 9.727 0.871 143 HH2 TRP 868 HH TRP 868 -2.437 10.178 3.140 144 HB2 TRP 868 HB2 TRP 868 0.045 7.504 -1.897 145 HB3 TRP 868 HB1 TRP 868 1.341 6.369 -1.503 146 H ILE 869 H ILE 869 3.755 6.649 -3.018 147 HA ILE 869 HA ILE 869 2.637 6.103 -5.647 148 HB ILE 869 HB ILE 869 5.461 5.660 -4.607 149 HG12 ILE 869 HG12 ILE 869 4.277 7.488 -6.701 150 HG13 ILE 869 HG11 ILE 869 4.979 7.967 -5.166 151 HG21 ILE 869 HG21 ILE 869 4.833 3.800 -6.079 152 HG22 ILE 869 HG22 ILE 869 6.025 4.838 -6.856 153 HG23 ILE 869 HG23 ILE 869 4.327 4.943 -7.322 154 HD11 ILE 869 HD11 ILE 869 6.425 6.765 -7.506 155 HD12 ILE 869 HD12 ILE 869 7.183 7.267 -5.978 156 HD13 ILE 869 HD13 ILE 869 6.410 8.459 -7.033 157 H CYS 870 H CYS 870 1.628 4.343 -5.958 158 HA CYS 870 HA CYS 870 1.255 2.402 -3.952 159 HB2 CYS 870 HB2 CYS 870 -0.546 3.293 -5.308 160 HB3 CYS 870 HB1 CYS 870 0.298 2.856 -6.772 161 HA PRO 871 HA PRO 871 4.622 -0.021 -5.815 162 HB2 PRO 871 HB2 PRO 871 3.777 -2.056 -3.868 163 HB3 PRO 871 HB1 PRO 871 5.349 -1.273 -4.044 164 HG2 PRO 871 HG2 PRO 871 3.696 -0.736 -1.994 165 HG3 PRO 871 HG1 PRO 871 4.768 0.490 -2.692 166 HD2 PRO 871 HD2 PRO 871 1.826 0.069 -3.127 167 HD3 PRO 871 HD1 PRO 871 2.745 1.588 -2.917 168 H GLY 872 H GLY 872 1.285 -0.495 -5.750 169 HA2 GLY 872 HA2 GLY 872 1.160 -3.112 -6.857 170 HA3 GLY 872 HA1 GLY 872 -0.126 -1.906 -6.866 171 H CYS 873 H CYS 873 1.142 0.172 -8.200 172 HA CYS 873 HA CYS 873 1.356 -0.944 -10.916 173 HB2 CYS 873 HB2 CYS 873 0.547 1.379 -11.450 174 HB3 CYS 873 HB1 CYS 873 -0.596 0.326 -10.609 175 H ASN 874 H ASN 874 2.825 1.039 -8.490 176 HA ASN 874 HA ASN 874 4.763 2.068 -8.220 177 HB2 ASN 874 HB2 ASN 874 5.818 0.300 -9.739 178 HB3 ASN 874 HB1 ASN 874 5.516 1.369 -11.099 179 HD21 ASN 874 HD21 ASN 874 6.906 3.051 -11.449 180 HD22 ASN 874 HD22 ASN 874 8.343 3.346 -10.546 181 H LYS 875 H LYS 875 2.262 3.092 -9.262 182 HA LYS 875 HA LYS 875 3.212 5.544 -10.552 183 HB2 LYS 875 HB2 LYS 875 0.419 4.393 -10.441 184 HB3 LYS 875 HB1 LYS 875 0.898 5.909 -11.203 185 HG2 LYS 875 HG2 LYS 875 2.142 4.796 -12.873 186 HG3 LYS 875 HG1 LYS 875 2.048 3.253 -12.019 187 HD2 LYS 875 HD2 LYS 875 0.518 3.260 -13.899 188 HD3 LYS 875 HD1 LYS 875 -0.384 3.228 -12.386 189 HE2 LYS 875 HE2 LYS 875 -0.714 5.690 -12.611 190 HE3 LYS 875 HE1 LYS 875 0.082 5.604 -14.182 191 HZ1 LYS 875 HZ1 LYS 875 -2.396 4.156 -13.433 192 HZ2 LYS 875 HZ2 LYS 875 -1.659 4.102 -14.942 193 HZ3 LYS 875 HZ3 LYS 875 -2.343 5.530 -14.395 194 HA PRO 876 HA PRO 876 2.210 7.728 -6.776 195 HB2 PRO 876 HB2 PRO 876 2.216 10.226 -7.808 196 HB3 PRO 876 HB1 PRO 876 3.704 9.345 -7.483 197 HG2 PRO 876 HG2 PRO 876 2.261 9.734 -10.070 198 HG3 PRO 876 HG1 PRO 876 4.005 9.771 -9.752 199 HD2 PRO 876 HD2 PRO 876 2.750 7.620 -10.837 200 HD3 PRO 876 HD1 PRO 876 4.170 7.464 -9.811 201 H ASP 877 H ASP 877 0.594 9.166 -5.954 202 HA ASP 877 HA ASP 877 -2.020 8.568 -6.728 203 HB2 ASP 877 HB2 ASP 877 -1.558 9.199 -4.453 204 HB3 ASP 877 HB1 ASP 877 -1.020 10.794 -4.958 205 H ASP 878 H ASP 878 -3.162 9.176 -8.301 206 HA ASP 878 HA ASP 878 -2.513 11.638 -9.738 207 HB2 ASP 878 HB2 ASP 878 -3.682 10.697 -11.636 208 HB3 ASP 878 HB1 ASP 878 -2.595 9.472 -11.012 209 H GLY 879 H GLY 879 -4.327 10.867 -7.248 210 HA2 GLY 879 HA2 GLY 879 -5.890 12.454 -6.384 211 HA3 GLY 879 HA1 GLY 879 -6.484 12.699 -8.029 212 H SER 880 H SER 880 -5.726 9.687 -6.370 213 HA SER 880 HA SER 880 -8.502 8.888 -6.759 214 HG SER 880 HG SER 880 -6.157 8.077 -9.145 215 HB2 SER 880 HB2 SER 880 -5.985 7.273 -7.187 216 HB3 SER 880 HB1 SER 880 -7.626 6.657 -7.326 217 HA PRO 881 HA PRO 881 -8.315 7.686 -2.490 218 HB2 PRO 881 HB2 PRO 881 -9.761 5.188 -2.958 219 HB3 PRO 881 HB1 PRO 881 -10.319 6.653 -2.149 220 HG2 PRO 881 HG2 PRO 881 -11.276 5.863 -4.560 221 HG3 PRO 881 HG1 PRO 881 -11.154 7.564 -4.078 222 HD2 PRO 881 HD2 PRO 881 -9.322 5.956 -5.819 223 HD3 PRO 881 HD1 PRO 881 -9.896 7.619 -6.049 224 H MET 882 H MET 882 -6.850 6.676 -1.248 225 HA MET 882 HA MET 882 -5.572 4.286 -2.336 226 HB2 MET 882 HB2 MET 882 -4.165 6.504 -0.818 227 HB3 MET 882 HB1 MET 882 -3.419 5.062 -1.484 228 HG2 MET 882 HG2 MET 882 -4.154 5.836 -3.749 229 HG3 MET 882 HG1 MET 882 -4.629 7.357 -3.003 230 HE1 MET 882 HE1 MET 882 -1.754 5.051 -4.179 231 HE2 MET 882 HE2 MET 882 -1.492 4.971 -2.431 232 HE3 MET 882 HE3 MET 882 -0.322 5.792 -3.472 233 H ILE 883 H ILE 883 -4.470 3.022 -0.644 234 HA ILE 883 HA ILE 883 -5.602 3.318 2.017 235 HB ILE 883 HB ILE 883 -7.164 1.813 0.831 236 HG12 ILE 883 HG12 ILE 883 -5.422 0.200 2.712 237 HG13 ILE 883 HG11 ILE 883 -6.562 1.421 3.250 238 HG21 ILE 883 HG21 ILE 883 -5.788 0.988 -0.965 239 HG22 ILE 883 HG22 ILE 883 -6.425 -0.372 -0.055 240 HG23 ILE 883 HG23 ILE 883 -4.762 0.133 0.178 241 HD11 ILE 883 HD11 ILE 883 -7.228 -1.104 1.772 242 HD12 ILE 883 HD12 ILE 883 -8.389 0.118 2.288 243 HD13 ILE 883 HD13 ILE 883 -7.480 -0.796 3.489 244 H GLY 884 H GLY 884 -4.259 2.429 3.641 245 HA2 GLY 884 HA2 GLY 884 -1.573 1.746 2.674 246 HA3 GLY 884 HA1 GLY 884 -1.961 2.477 4.229 247 H CYS 885 H CYS 885 -0.426 0.076 3.672 248 HA CYS 885 HA CYS 885 -2.053 -2.178 4.393 249 HB2 CYS 885 HB2 CYS 885 -0.031 -2.463 3.023 250 HB3 CYS 885 HB1 CYS 885 0.955 -1.842 4.332 251 H ASP 886 H ASP 886 -2.006 -3.298 6.315 252 HA ASP 886 HA ASP 886 -1.644 -1.667 8.682 253 HB2 ASP 886 HB2 ASP 886 -3.605 -3.142 8.575 254 HB3 ASP 886 HB1 ASP 886 -2.566 -4.546 8.376 255 H ASP 887 H ASP 887 0.110 -4.040 6.906 256 HA ASP 887 HA ASP 887 1.686 -4.714 9.271 257 HB2 ASP 887 HB2 ASP 887 0.755 -6.567 7.871 258 HB3 ASP 887 HB1 ASP 887 1.825 -6.053 6.575 259 H CYS 888 H CYS 888 2.096 -3.330 6.025 260 HA CYS 888 HA CYS 888 4.881 -3.030 6.811 261 HB2 CYS 888 HB2 CYS 888 5.494 -2.538 4.498 262 HB3 CYS 888 HB1 CYS 888 4.686 -4.090 4.642 263 H ASP 889 H ASP 889 3.729 -0.911 4.460 264 HA ASP 889 HA ASP 889 3.725 1.428 6.201 265 HB2 ASP 889 HB2 ASP 889 6.047 1.189 6.220 266 HB3 ASP 889 HB1 ASP 889 6.110 0.713 4.534 267 H ASP 890 H ASP 890 3.891 0.200 2.862 268 HA ASP 890 HA ASP 890 3.473 2.776 1.735 269 HB2 ASP 890 HB2 ASP 890 3.434 0.063 0.466 270 HB3 ASP 890 HB1 ASP 890 3.030 1.519 -0.428 271 H TRP 891 H TRP 891 1.894 3.353 0.246 272 HA TRP 891 HA TRP 891 -0.805 2.525 0.987 273 HD1 TRP 891 HD TRP 891 1.492 5.021 2.569 274 HE1 TRP 891 HE1 TRP 891 0.517 5.895 4.801 275 HE3 TRP 891 HE3 TRP 891 -3.435 5.251 1.280 276 HZ2 TRP 891 HZ2 TRP 891 -1.992 6.576 5.857 277 HZ3 TRP 891 HZ3 TRP 891 -5.059 6.025 2.942 278 HH2 TRP 891 HH TRP 891 -4.351 6.678 5.193 279 HB2 TRP 891 HB2 TRP 891 0.270 5.178 0.014 280 HB3 TRP 891 HB1 TRP 891 -1.443 4.787 0.036 281 H TYR 892 H TYR 892 -2.060 1.835 -0.569 282 HA TYR 892 HA TYR 892 -0.980 1.699 -3.307 283 HD1 TYR 892 HD1 TYR 892 -0.693 -0.068 -0.139 284 HD2 TYR 892 HD2 TYR 892 -0.474 -1.747 -4.032 285 HE1 TYR 892 HE1 TYR 892 1.288 -1.316 0.536 286 HE2 TYR 892 HE2 TYR 892 1.529 -3.019 -3.368 287 HH TYR 892 HH TYR 892 2.350 -3.491 -0.237 288 HB2 TYR 892 HB2 TYR 892 -2.733 -0.270 -1.807 289 HB3 TYR 892 HB1 TYR 892 -2.278 -0.406 -3.498 290 H HIS 893 H HIS 893 -2.641 1.674 -4.920 291 HA HIS 893 HA HIS 893 -4.797 3.519 -4.249 292 HD2 HIS 893 HD2 HIS 893 -4.453 6.018 -5.802 293 HE1 HIS 893 HE1 HIS 893 -0.682 5.406 -7.607 294 HE2 HIS 893 HE2 HIS 893 -2.073 6.935 -6.191 295 HB2 HIS 893 HB2 HIS 893 -4.088 2.270 -6.915 296 HB3 HIS 893 HB1 HIS 893 -5.396 3.417 -6.677 297 H TRP 894 H TRP 894 -6.977 3.099 -4.302 298 HA TRP 894 HA TRP 894 -7.857 0.584 -3.576 299 HD1 TRP 894 HD TRP 894 -7.415 2.080 -1.859 300 HE1 TRP 894 HE1 TRP 894 -8.371 2.951 0.392 301 HE3 TRP 894 HE3 TRP 894 -12.200 3.112 -3.288 302 HZ2 TRP 894 HZ2 TRP 894 -10.757 3.927 1.403 303 HZ3 TRP 894 HZ3 TRP 894 -13.748 4.005 -1.613 304 HH2 TRP 894 HH TRP 894 -13.029 4.405 0.685 305 HB2 TRP 894 HB2 TRP 894 -9.368 2.961 -4.625 306 HB3 TRP 894 HB1 TRP 894 -10.204 1.462 -4.249 307 HA PRO 895 HA PRO 895 -9.286 -0.370 -8.159 308 HB2 PRO 895 HB2 PRO 895 -7.714 0.830 -10.077 309 HB3 PRO 895 HB1 PRO 895 -9.296 1.431 -9.570 310 HG2 PRO 895 HG2 PRO 895 -6.574 2.287 -8.651 311 HG3 PRO 895 HG1 PRO 895 -7.952 3.296 -9.131 312 HD2 PRO 895 HD2 PRO 895 -7.430 2.905 -6.562 313 HD3 PRO 895 HD1 PRO 895 -9.105 2.862 -7.144 314 H CYS 896 H CYS 896 -6.115 -0.003 -6.834 315 HA CYS 896 HA CYS 896 -4.923 -1.859 -8.713 316 HB2 CYS 896 HB2 CYS 896 -3.840 -0.355 -6.360 317 HB3 CYS 896 HB1 CYS 896 -2.869 -1.428 -7.357 318 H VAL 897 H VAL 897 -6.242 -1.791 -5.574 319 HA VAL 897 HA VAL 897 -5.287 -4.513 -5.102 320 HB VAL 897 HB VAL 897 -5.839 -4.042 -2.674 321 HG11 VAL 897 HG11 VAL 897 -3.844 -2.217 -4.024 322 HG12 VAL 897 HG12 VAL 897 -3.553 -3.904 -3.604 323 HG13 VAL 897 HG13 VAL 897 -3.795 -2.708 -2.331 324 HG21 VAL 897 HG21 VAL 897 -7.387 -2.165 -3.100 325 HG22 VAL 897 HG22 VAL 897 -6.026 -1.240 -3.736 326 HG23 VAL 897 HG23 VAL 897 -6.065 -1.677 -2.029 327 H GLY 898 H GLY 898 -7.944 -2.855 -6.092 328 HA2 GLY 898 HA2 GLY 898 -9.962 -3.817 -6.742 329 HA3 GLY 898 HA1 GLY 898 -9.540 -5.227 -5.774 330 H ILE 899 H ILE 899 -9.850 -1.816 -4.883 331 HA ILE 899 HA ILE 899 -11.849 -2.677 -2.953 332 HB ILE 899 HB ILE 899 -9.759 -0.523 -2.723 333 HG12 ILE 899 HG12 ILE 899 -10.455 -2.964 -1.116 334 HG13 ILE 899 HG11 ILE 899 -9.061 -2.762 -2.159 335 HG21 ILE 899 HG21 ILE 899 -10.733 0.147 -0.601 336 HG22 ILE 899 HG22 ILE 899 -12.067 -0.987 -0.828 337 HG23 ILE 899 HG23 ILE 899 -11.894 0.399 -1.904 338 HD11 ILE 899 HD11 ILE 899 -8.238 -1.004 -0.706 339 HD12 ILE 899 HD12 ILE 899 -8.461 -2.532 0.169 340 HD13 ILE 899 HD13 ILE 899 -9.652 -1.224 0.323 341 H MET 900 H MET 900 -13.741 -2.000 -3.149 342 HA MET 900 HA MET 900 -14.373 0.034 -5.150 343 HB2 MET 900 HB2 MET 900 -16.182 -1.868 -3.654 344 HB3 MET 900 HB1 MET 900 -16.714 -0.735 -4.886 345 HG2 MET 900 HG2 MET 900 -14.827 -3.050 -5.289 346 HG3 MET 900 HG1 MET 900 -16.523 -3.000 -5.760 347 HE1 MET 900 HE1 MET 900 -16.782 0.007 -6.902 348 HE2 MET 900 HE2 MET 900 -17.477 -1.408 -7.687 349 HE3 MET 900 HE3 MET 900 -16.479 -0.288 -8.613 350 H ALA 901 H ALA 901 -14.481 -0.530 -1.702 351 HA ALA 901 HA ALA 901 -15.119 2.185 -1.157 352 HB1 ALA 901 HB1 ALA 901 -17.392 1.307 -1.486 353 HB2 ALA 901 HB2 ALA 901 -17.106 1.648 0.221 354 HB3 ALA 901 HB3 ALA 901 -17.054 -0.014 -0.366 355 H ALA 902 H ALA 902 -14.904 2.512 1.173 356 HA ALA 902 HA ALA 902 -12.621 1.511 2.214 357 HB1 ALA 902 HB1 ALA 902 -14.976 2.560 3.784 358 HB2 ALA 902 HB2 ALA 902 -13.723 3.531 3.011 359 HB3 ALA 902 HB3 ALA 902 -13.311 2.467 4.357 360 HA PRO 903 HA PRO 903 -13.940 -2.712 3.114 361 HB2 PRO 903 HB2 PRO 903 -11.496 -3.447 4.216 362 HB3 PRO 903 HB1 PRO 903 -11.899 -3.530 2.500 363 HG2 PRO 903 HG2 PRO 903 -10.392 -1.437 3.995 364 HG3 PRO 903 HG1 PRO 903 -10.100 -2.085 2.375 365 HD2 PRO 903 HD2 PRO 903 -11.255 0.304 2.750 366 HD3 PRO 903 HD1 PRO 903 -11.751 -0.720 1.414 367 HA PRO 904 HA PRO 904 -15.102 -2.396 7.397 368 HB2 PRO 904 HB2 PRO 904 -14.953 -5.341 7.488 369 HB3 PRO 904 HB1 PRO 904 -16.339 -4.287 7.777 370 HG2 PRO 904 HG2 PRO 904 -16.164 -5.774 5.566 371 HG3 PRO 904 HG1 PRO 904 -16.861 -4.143 5.549 372 HD2 PRO 904 HD2 PRO 904 -14.162 -5.048 4.644 373 HD3 PRO 904 HD1 PRO 904 -15.278 -3.870 3.918 374 H GLU 905 H GLU 905 -13.978 -2.238 9.244 375 HA GLU 905 HA GLU 905 -11.213 -2.973 9.145 376 HB2 GLU 905 HB2 GLU 905 -10.993 -1.822 11.305 377 HB3 GLU 905 HB1 GLU 905 -11.745 -0.836 10.059 378 HG2 GLU 905 HG2 GLU 905 -13.925 -1.241 11.045 379 HG3 GLU 905 HG1 GLU 905 -13.184 -2.275 12.270 380 H GLU 906 H GLU 906 -13.762 -4.753 9.928 381 HA GLU 906 HA GLU 906 -12.686 -6.291 12.118 382 HB2 GLU 906 HB2 GLU 906 -14.443 -7.942 11.520 383 HB3 GLU 906 HB1 GLU 906 -15.088 -6.322 11.747 384 HG2 GLU 906 HG2 GLU 906 -15.349 -5.997 9.432 385 HG3 GLU 906 HG1 GLU 906 -14.394 -7.426 9.040 386 H MET 907 H MET 907 -11.987 -5.928 8.907 387 HA MET 907 HA MET 907 -10.632 -8.515 8.684 388 HB2 MET 907 HB2 MET 907 -12.256 -8.046 6.916 389 HB3 MET 907 HB1 MET 907 -11.457 -6.498 6.611 390 HG2 MET 907 HG2 MET 907 -9.396 -7.812 6.026 391 HG3 MET 907 HG1 MET 907 -10.386 -9.266 6.097 392 HE1 MET 907 HE1 MET 907 -12.621 -9.534 4.593 393 HE2 MET 907 HE2 MET 907 -13.033 -8.465 3.256 394 HE3 MET 907 HE3 MET 907 -13.179 -7.893 4.917 395 H GLN 908 H GLN 908 -8.535 -8.250 9.092 396 HA GLN 908 HA GLN 908 -7.348 -5.659 8.881 397 HB2 GLN 908 HB2 GLN 908 -6.052 -8.332 9.269 398 HB3 GLN 908 HB1 GLN 908 -5.178 -6.825 9.233 399 HG2 GLN 908 HG2 GLN 908 -6.494 -6.017 11.172 400 HG3 GLN 908 HG1 GLN 908 -7.254 -7.602 11.269 401 HE21 GLN 908 HE21 GLN 908 -4.805 -9.078 10.637 402 HE22 GLN 908 HE22 GLN 908 -3.819 -8.947 12.038 403 H TRP 909 H TRP 909 -6.273 -4.880 7.343 404 HA TRP 909 HA TRP 909 -6.464 -6.303 4.792 405 HD1 TRP 909 HD TRP 909 -8.408 -4.975 2.565 406 HE1 TRP 909 HE1 TRP 909 -7.477 -4.375 0.239 407 HE3 TRP 909 HE3 TRP 909 -4.062 -2.706 3.990 408 HZ2 TRP 909 HZ2 TRP 909 -5.203 -3.097 -0.828 409 HZ3 TRP 909 HZ3 TRP 909 -2.561 -1.823 2.251 410 HH2 TRP 909 HH TRP 909 -3.123 -2.018 -0.105 411 HB2 TRP 909 HB2 TRP 909 -7.782 -4.195 5.011 412 HB3 TRP 909 HB1 TRP 909 -6.276 -3.320 5.235 413 H PHE 910 H PHE 910 -4.691 -6.899 3.854 414 HA PHE 910 HA PHE 910 -2.238 -5.437 4.418 415 HD1 PHE 910 HD2 PHE 910 -0.801 -6.229 6.447 416 HD2 PHE 910 HD1 PHE 910 -3.729 -9.233 5.841 417 HE1 PHE 910 HE2 PHE 910 -1.137 -6.390 8.890 418 HE2 PHE 910 HE1 PHE 910 -4.077 -9.389 8.263 419 HZ PHE 910 HZ PHE 910 -2.778 -7.965 9.792 420 HB2 PHE 910 HB2 PHE 910 -2.517 -8.437 4.023 421 HB3 PHE 910 HB1 PHE 910 -1.006 -7.565 4.291 422 H CYS 911 H CYS 911 -0.967 -5.114 2.663 423 HA CYS 911 HA CYS 911 -2.319 -4.801 0.212 424 HB2 CYS 911 HB2 CYS 911 -0.151 -3.988 -0.555 425 HB3 CYS 911 HB1 CYS 911 -0.571 -3.333 1.014 426 HA PRO 912 HA PRO 912 -1.486 -8.432 -2.301 427 HB2 PRO 912 HB2 PRO 912 0.234 -7.227 -4.195 428 HB3 PRO 912 HB1 PRO 912 -1.508 -7.451 -4.354 429 HG2 PRO 912 HG2 PRO 912 0.025 -5.060 -3.463 430 HG3 PRO 912 HG1 PRO 912 -1.484 -5.142 -4.388 431 HD2 PRO 912 HD2 PRO 912 -1.560 -4.449 -1.856 432 HD3 PRO 912 HD1 PRO 912 -2.762 -5.583 -2.495 433 H LYS 913 H LYS 913 1.161 -6.395 -1.230 434 HA LYS 913 HA LYS 913 3.139 -8.395 -1.809 435 HB2 LYS 913 HB2 LYS 913 3.476 -5.855 -0.218 436 HB3 LYS 913 HB1 LYS 913 4.757 -6.845 -0.899 437 HG2 LYS 913 HG2 LYS 913 3.437 -6.252 -3.165 438 HG3 LYS 913 HG1 LYS 913 2.980 -4.837 -2.221 439 HD2 LYS 913 HD2 LYS 913 4.950 -4.251 -3.379 440 HD3 LYS 913 HD1 LYS 913 5.404 -4.517 -1.698 441 HE2 LYS 913 HE2 LYS 913 7.024 -5.520 -3.246 442 HE3 LYS 913 HE1 LYS 913 6.252 -6.742 -2.249 443 HZ1 LYS 913 HZ1 LYS 913 4.916 -7.452 -4.063 444 HZ2 LYS 913 HZ2 LYS 913 6.459 -7.264 -4.712 445 HZ3 LYS 913 HZ3 LYS 913 5.284 -6.096 -4.977 446 H CYS 914 H CYS 914 1.663 -6.960 1.100 447 HA CYS 914 HA CYS 914 3.111 -8.786 2.703 448 HB2 CYS 914 HB2 CYS 914 1.065 -6.726 3.434 449 HB3 CYS 914 HB1 CYS 914 1.767 -7.823 4.622 450 H ALA 915 H ALA 915 -0.137 -8.744 1.451 451 HA ALA 915 HA ALA 915 -1.163 -10.805 3.095 452 HB1 ALA 915 HB1 ALA 915 -2.866 -11.074 1.331 453 HB2 ALA 915 HB2 ALA 915 -1.910 -10.027 0.279 454 HB3 ALA 915 HB3 ALA 915 -2.623 -9.376 1.755 455 H ASN 916 H ASN 916 0.766 -10.718 0.233 456 HA ASN 916 HA ASN 916 0.614 -13.375 -0.624 457 HB2 ASN 916 HB2 ASN 916 1.645 -11.544 -1.921 458 HB3 ASN 916 HB1 ASN 916 2.964 -11.479 -0.761 459 HD21 ASN 916 HD21 ASN 916 1.451 -14.426 -2.083 460 HD22 ASN 916 HD22 ASN 916 2.858 -14.926 -2.938 461 H LYS 917 H LYS 917 2.507 -11.822 1.887 462 HA LYS 917 HA LYS 917 4.347 -13.955 2.380 463 HB2 LYS 917 HB2 LYS 917 3.504 -11.808 4.333 464 HB3 LYS 917 HB1 LYS 917 5.020 -12.698 4.314 465 HG2 LYS 917 HG2 LYS 917 5.662 -11.590 2.244 466 HG3 LYS 917 HG1 LYS 917 4.128 -10.728 2.217 467 HD2 LYS 917 HD2 LYS 917 6.407 -10.409 4.176 468 HD3 LYS 917 HD1 LYS 917 5.774 -9.213 3.049 469 HE2 LYS 917 HE2 LYS 917 3.553 -9.470 4.424 470 HE3 LYS 917 HE1 LYS 917 4.599 -10.214 5.613 471 HZ1 LYS 917 HZ1 LYS 917 4.775 -7.456 4.575 472 HZ2 LYS 917 HZ2 LYS 917 5.975 -8.136 5.534 473 HZ3 LYS 917 HZ3 LYS 917 4.408 -7.915 6.141 474 H ILE 918 H ILE 918 1.104 -13.406 3.209 475 HA ILE 918 HA ILE 918 1.086 -15.159 5.559 476 HB ILE 918 HB ILE 918 -1.176 -13.640 4.246 477 HG12 ILE 918 HG12 ILE 918 0.464 -12.799 6.642 478 HG13 ILE 918 HG11 ILE 918 0.681 -12.160 5.017 479 HG21 ILE 918 HG21 ILE 918 -0.917 -14.855 6.994 480 HG22 ILE 918 HG22 ILE 918 -1.909 -15.464 5.667 481 HG23 ILE 918 HG23 ILE 918 -2.297 -13.911 6.418 482 HD11 ILE 918 HD11 ILE 918 -1.613 -11.309 5.061 483 HD12 ILE 918 HD12 ILE 918 -0.616 -10.633 6.343 484 HD13 ILE 918 HD13 ILE 918 -1.788 -11.902 6.712 485 H LYS 919 H LYS 919 0.016 -14.938 2.219 486 HA LYS 919 HA LYS 919 -1.543 -17.329 2.440 487 HB2 LYS 919 HB2 LYS 919 -0.964 -15.696 -0.007 488 HB3 LYS 919 HB1 LYS 919 -2.191 -16.939 0.158 489 HG2 LYS 919 HG2 LYS 919 -2.118 -14.237 1.487 490 HG3 LYS 919 HG1 LYS 919 -3.245 -14.806 0.263 491 HD2 LYS 919 HD2 LYS 919 -3.010 -15.888 3.086 492 HD3 LYS 919 HD1 LYS 919 -4.236 -14.757 2.530 493 HE2 LYS 919 HE2 LYS 919 -5.126 -16.414 1.010 494 HE3 LYS 919 HE1 LYS 919 -3.841 -17.541 1.445 495 HZ1 LYS 919 HZ1 LYS 919 -5.917 -16.513 3.303 496 HZ2 LYS 919 HZ2 LYS 919 -4.724 -17.654 3.681 497 HZ3 LYS 919 HZ3 LYS 919 -5.920 -18.025 2.580 498 H LYS 920 H LYS 920 1.431 -16.367 1.273 499 HA LYS 920 HA LYS 920 1.971 -18.901 -0.037 500 HB2 LYS 920 HB2 LYS 920 3.008 -16.896 -0.968 501 HB3 LYS 920 HB1 LYS 920 3.847 -16.600 0.544 502 HG2 LYS 920 HG2 LYS 920 5.081 -18.720 0.258 503 HG3 LYS 920 HG1 LYS 920 4.276 -18.960 -1.286 504 HD2 LYS 920 HD2 LYS 920 6.030 -16.608 -0.595 505 HD3 LYS 920 HD1 LYS 920 6.564 -18.025 -1.486 506 HE2 LYS 920 HE2 LYS 920 4.384 -16.116 -2.350 507 HE3 LYS 920 HE1 LYS 920 6.034 -16.142 -2.960 508 HZ1 LYS 920 HZ1 LYS 920 4.058 -18.356 -3.250 509 HZ2 LYS 920 HZ2 LYS 920 5.634 -18.391 -3.805 510 HZ3 LYS 920 HZ3 LYS 920 4.537 -17.301 -4.467 511 H ASP 921 H ASP 921 2.930 -20.568 0.778 512 HA ASP 921 HA ASP 921 4.009 -22.000 2.114 513 HB2 ASP 921 HB2 ASP 921 5.709 -19.979 2.168 514 HB3 ASP 921 HB1 ASP 921 5.134 -19.778 3.817 515 H LYS 922 H LYS 922 4.440 -22.040 4.821 516 HA LYS 922 HA LYS 922 1.692 -21.838 5.881 517 HB2 LYS 922 HB2 LYS 922 2.252 -23.754 7.270 518 HB3 LYS 922 HB1 LYS 922 2.503 -24.146 5.574 519 HG2 LYS 922 HG2 LYS 922 4.923 -23.770 5.869 520 HG3 LYS 922 HG1 LYS 922 4.650 -23.418 7.569 521 HD2 LYS 922 HD2 LYS 922 5.385 -25.640 7.555 522 HD3 LYS 922 HD1 LYS 922 3.640 -25.788 7.688 523 HE2 LYS 922 HE2 LYS 922 5.181 -26.012 5.105 524 HE3 LYS 922 HE1 LYS 922 4.733 -27.384 6.097 525 HZ1 LYS 922 HZ1 LYS 922 2.863 -25.545 4.685 526 HZ2 LYS 922 HZ2 LYS 922 2.386 -26.799 5.724 527 HZ3 LYS 922 HZ3 LYS 922 3.218 -27.140 4.311 528 H LYS 923 H LYS 923 4.742 -20.571 5.999 529 HA LYS 923 HA LYS 923 4.455 -19.605 8.744 530 HB2 LYS 923 HB2 LYS 923 6.701 -20.222 9.285 531 HB3 LYS 923 HB1 LYS 923 5.917 -21.663 8.657 532 HG2 LYS 923 HG2 LYS 923 6.944 -20.955 6.388 533 HG3 LYS 923 HG1 LYS 923 7.956 -19.914 7.389 534 HD2 LYS 923 HD2 LYS 923 7.730 -22.922 7.626 535 HD3 LYS 923 HD1 LYS 923 9.076 -22.065 6.886 536 HE2 LYS 923 HE2 LYS 923 9.574 -21.022 9.050 537 HE3 LYS 923 HE1 LYS 923 8.219 -21.888 9.770 538 HZ1 LYS 923 HZ1 LYS 923 10.248 -23.024 10.251 539 HZ2 LYS 923 HZ2 LYS 923 10.686 -23.091 8.635 540 HZ3 LYS 923 HZ3 LYS 923 9.375 -23.994 9.177 541 H HIS 924 H HIS 924 6.641 -18.098 8.910 542 HA HIS 924 HA HIS 924 6.587 -16.381 6.537 543 HD1 HIS 924 HD1 HIS 924 8.671 -13.702 9.554 544 HD2 HIS 924 HD2 HIS 924 6.237 -13.580 6.182 545 HE1 HIS 924 HE1 HIS 924 9.173 -11.512 8.449 546 HE2 HIS 924 HE2 HIS 924 7.610 -11.377 6.503 547 HB2 HIS 924 HB2 HIS 924 5.685 -15.385 8.625 548 HB3 HIS 924 HB1 HIS 924 7.233 -15.736 9.393 Start of MODEL 15 1 H1 GLY 850 HT1 GLY 850 10.597 -9.051 6.301 2 H2 GLY 850 HT2 GLY 850 11.217 -7.571 6.865 3 H3 GLY 850 HT3 GLY 850 11.661 -9.007 7.619 4 HA2 GLY 850 HA1 GLY 850 12.793 -9.726 5.626 5 HA3 GLY 850 HA2 GLY 850 12.331 -8.207 4.866 6 H SER 851 H SER 851 14.817 -8.371 4.749 7 HA SER 851 HA SER 851 15.751 -6.625 6.809 8 HG SER 851 HG SER 851 17.890 -9.775 5.803 9 HB2 SER 851 HB2 SER 851 17.976 -7.999 6.874 10 HB3 SER 851 HB1 SER 851 16.596 -8.542 7.826 11 H HIS 852 H HIS 852 15.407 -5.184 5.214 12 HA HIS 852 HA HIS 852 17.651 -4.217 3.918 13 HD2 HIS 852 HD2 HIS 852 19.121 -3.709 1.517 14 HE1 HIS 852 HE1 HIS 852 16.431 -2.547 -1.534 15 HE2 HIS 852 HE2 HIS 852 18.820 -2.526 -0.782 16 HB2 HIS 852 HB2 HIS 852 17.290 -5.992 2.217 17 HB3 HIS 852 HB1 HIS 852 15.617 -5.489 2.028 18 H MET 853 H MET 853 14.306 -4.339 2.820 19 HA MET 853 HA MET 853 12.717 -2.841 2.527 20 HB2 MET 853 HB2 MET 853 12.490 -3.271 4.936 21 HB3 MET 853 HB1 MET 853 13.534 -1.902 5.273 22 HG2 MET 853 HG2 MET 853 11.151 -1.378 5.568 23 HG3 MET 853 HG1 MET 853 11.934 -0.382 4.342 24 HE1 MET 853 HE1 MET 853 9.239 -3.975 3.211 25 HE2 MET 853 HE2 MET 853 9.685 -3.599 4.879 26 HE3 MET 853 HE3 MET 853 10.909 -4.151 3.737 27 H ALA 854 H ALA 854 13.358 -1.730 0.842 28 HA ALA 854 HA ALA 854 15.042 0.610 1.121 29 HB1 ALA 854 HB1 ALA 854 13.626 -0.507 -1.298 30 HB2 ALA 854 HB2 ALA 854 15.297 -0.837 -0.836 31 HB3 ALA 854 HB3 ALA 854 14.818 0.793 -1.307 32 H MET 855 H MET 855 14.298 2.623 1.418 33 HA MET 855 HA MET 855 11.472 3.064 1.534 34 HB2 MET 855 HB2 MET 855 13.765 5.014 1.874 35 HB3 MET 855 HB1 MET 855 12.074 5.406 2.129 36 HG2 MET 855 HG2 MET 855 11.987 3.766 3.954 37 HG3 MET 855 HG1 MET 855 13.694 3.418 3.705 38 HE1 MET 855 HE1 MET 855 15.364 6.842 4.705 39 HE2 MET 855 HE2 MET 855 14.852 6.380 3.086 40 HE3 MET 855 HE3 MET 855 15.646 5.198 4.127 41 H ALA 856 H ALA 856 10.990 2.580 -0.577 42 HA ALA 856 HA ALA 856 11.389 4.808 -2.414 43 HB1 ALA 856 HB1 ALA 856 11.487 3.236 -4.258 44 HB2 ALA 856 HB2 ALA 856 11.447 1.886 -3.106 45 HB3 ALA 856 HB3 ALA 856 12.830 2.997 -3.131 46 H TYR 857 H TYR 857 9.725 4.285 -4.346 47 HA TYR 857 HA TYR 857 7.580 4.405 -4.963 48 HD1 TYR 857 HD1 TYR 857 9.099 1.169 -3.629 49 HD2 TYR 857 HD2 TYR 857 5.519 1.920 -5.769 50 HE1 TYR 857 HE1 TYR 857 9.659 -0.654 -5.183 51 HE2 TYR 857 HE2 TYR 857 6.053 0.114 -7.341 52 HH TYR 857 HH TYR 857 8.597 -2.127 -6.741 53 HB2 TYR 857 HB2 TYR 857 7.186 2.478 -2.640 54 HB3 TYR 857 HB1 TYR 857 5.853 2.975 -3.681 55 H VAL 858 H VAL 858 8.884 6.130 -3.260 56 HA VAL 858 HA VAL 858 6.705 7.581 -1.945 57 HB VAL 858 HB VAL 858 9.464 7.120 -0.784 58 HG11 VAL 858 HG11 VAL 858 7.103 8.635 0.359 59 HG12 VAL 858 HG12 VAL 858 8.606 9.340 -0.236 60 HG13 VAL 858 HG13 VAL 858 8.620 8.331 1.210 61 HG21 VAL 858 HG21 VAL 858 6.808 6.063 0.191 62 HG22 VAL 858 HG22 VAL 858 8.350 5.919 1.047 63 HG23 VAL 858 HG23 VAL 858 8.135 5.134 -0.516 64 H ILE 859 H ILE 859 6.698 9.532 -2.831 65 HA ILE 859 HA ILE 859 9.231 10.786 -3.698 66 HB ILE 859 HB ILE 859 6.527 11.128 -5.084 67 HG12 ILE 859 HG12 ILE 859 8.939 9.587 -6.073 68 HG13 ILE 859 HG11 ILE 859 7.451 8.861 -5.463 69 HG21 ILE 859 HG21 ILE 859 7.799 12.291 -6.823 70 HG22 ILE 859 HG22 ILE 859 9.276 12.076 -5.890 71 HG23 ILE 859 HG23 ILE 859 7.975 13.085 -5.256 72 HD11 ILE 859 HD11 ILE 859 7.603 10.692 -7.848 73 HD12 ILE 859 HD12 ILE 859 6.197 9.767 -7.314 74 HD13 ILE 859 HD13 ILE 859 7.628 8.940 -7.943 75 H ARG 860 H ARG 860 9.282 13.051 -3.222 76 HA ARG 860 HA ARG 860 7.141 13.859 -1.461 77 HE ARG 860 HE ARG 860 10.681 13.424 2.176 78 HB2 ARG 860 HB2 ARG 860 9.858 15.086 -1.894 79 HB3 ARG 860 HB1 ARG 860 8.588 15.858 -0.953 80 HG2 ARG 860 HG2 ARG 860 8.520 13.845 0.498 81 HG3 ARG 860 HG1 ARG 860 9.934 13.238 -0.373 82 HD2 ARG 860 HD2 ARG 860 11.269 15.045 0.352 83 HD3 ARG 860 HD1 ARG 860 9.843 15.927 0.907 84 HH11 ARG 860 HH11 ARG 860 9.962 16.884 2.381 85 HH12 ARG 860 HH12 ARG 860 9.863 16.918 4.074 86 HH21 ARG 860 HH21 ARG 860 10.559 13.468 4.512 87 HH22 ARG 860 HH22 ARG 860 10.216 14.936 5.318 88 H ASP 861 H ASP 861 5.687 15.082 -1.963 89 HA ASP 861 HA ASP 861 5.185 16.067 -4.566 90 HB2 ASP 861 HB2 ASP 861 3.368 15.446 -3.067 91 HB3 ASP 861 HB1 ASP 861 3.917 16.671 -1.916 92 H GLU 862 H GLU 862 4.484 18.363 -4.798 93 HA GLU 862 HA GLU 862 6.743 20.053 -4.815 94 HB2 GLU 862 HB2 GLU 862 3.861 20.874 -5.065 95 HB3 GLU 862 HB1 GLU 862 5.262 21.759 -5.645 96 HG2 GLU 862 HG2 GLU 862 5.758 19.992 -7.212 97 HG3 GLU 862 HG1 GLU 862 4.378 19.068 -6.622 98 H TRP 863 H TRP 863 3.940 19.856 -2.695 99 HA TRP 863 HA TRP 863 4.808 22.114 -1.149 100 HD1 TRP 863 HD TRP 863 1.070 20.509 -2.860 101 HE1 TRP 863 HE1 TRP 863 0.190 22.577 -4.163 102 HE3 TRP 863 HE3 TRP 863 3.609 24.148 -0.411 103 HZ2 TRP 863 HZ2 TRP 863 0.539 25.370 -4.125 104 HZ3 TRP 863 HZ3 TRP 863 3.297 26.496 -1.095 105 HH2 TRP 863 HH TRP 863 1.792 27.080 -2.914 106 HB2 TRP 863 HB2 TRP 863 2.528 20.183 -0.746 107 HB3 TRP 863 HB1 TRP 863 2.811 21.630 0.222 108 H GLY 864 H GLY 864 5.599 18.899 -1.286 109 HA2 GLY 864 HA2 GLY 864 7.241 17.918 0.061 110 HA3 GLY 864 HA1 GLY 864 6.791 18.961 1.392 111 H ASN 865 H ASN 865 4.099 17.694 -0.121 112 HA ASN 865 HA ASN 865 3.467 15.978 2.085 113 HB2 ASN 865 HB2 ASN 865 2.079 16.028 -0.621 114 HB3 ASN 865 HB1 ASN 865 1.443 15.363 0.872 115 HD21 ASN 865 HD21 ASN 865 1.774 18.170 -1.095 116 HD22 ASN 865 HD22 ASN 865 0.948 19.233 -0.037 117 H GLN 866 H GLN 866 2.969 13.616 1.778 118 HA GLN 866 HA GLN 866 5.155 12.556 0.237 119 HB2 GLN 866 HB2 GLN 866 3.456 11.290 2.342 120 HB3 GLN 866 HB1 GLN 866 4.634 10.405 1.384 121 HG2 GLN 866 HG2 GLN 866 5.243 12.759 3.142 122 HG3 GLN 866 HG1 GLN 866 5.454 11.038 3.524 123 HE21 GLN 866 HE21 GLN 866 7.621 11.406 3.913 124 HE22 GLN 866 HE22 GLN 866 8.770 11.585 2.639 125 H ILE 867 H ILE 867 5.042 11.388 -1.298 126 HA ILE 867 HA ILE 867 2.427 10.772 -2.501 127 HB ILE 867 HB ILE 867 5.114 11.189 -3.779 128 HG12 ILE 867 HG12 ILE 867 4.074 13.287 -3.111 129 HG13 ILE 867 HG11 ILE 867 4.125 13.121 -4.863 130 HG21 ILE 867 HG21 ILE 867 2.490 10.524 -5.113 131 HG22 ILE 867 HG22 ILE 867 3.884 9.461 -4.960 132 HG23 ILE 867 HG23 ILE 867 3.995 10.914 -5.957 133 HD11 ILE 867 HD11 ILE 867 1.777 12.495 -4.871 134 HD12 ILE 867 HD12 ILE 867 2.031 14.082 -4.143 135 HD13 ILE 867 HD13 ILE 867 1.713 12.682 -3.114 136 H TRP 868 H TRP 868 1.978 8.769 -2.488 137 HA TRP 868 HA TRP 868 4.091 6.807 -2.203 138 HD1 TRP 868 HD TRP 868 3.971 4.659 -0.191 139 HE1 TRP 868 HE1 TRP 868 4.449 5.220 2.248 140 HE3 TRP 868 HE3 TRP 868 0.970 8.751 0.206 141 HZ2 TRP 868 HZ2 TRP 868 3.643 7.226 4.137 142 HZ3 TRP 868 HZ3 TRP 868 0.884 9.942 2.357 143 HH2 TRP 868 HH TRP 868 2.187 9.192 4.272 144 HB2 TRP 868 HB2 TRP 868 1.209 6.854 -1.514 145 HB3 TRP 868 HB1 TRP 868 1.999 5.304 -1.802 146 H ILE 869 H ILE 869 4.407 5.300 -3.616 147 HA ILE 869 HA ILE 869 2.796 5.327 -6.050 148 HB ILE 869 HB ILE 869 5.612 4.295 -5.582 149 HG12 ILE 869 HG12 ILE 869 4.568 6.623 -7.179 150 HG13 ILE 869 HG11 ILE 869 5.576 6.710 -5.732 151 HG21 ILE 869 HG21 ILE 869 4.382 2.882 -7.174 152 HG22 ILE 869 HG22 ILE 869 5.678 3.775 -7.963 153 HG23 ILE 869 HG23 ILE 869 4.005 4.308 -8.137 154 HD11 ILE 869 HD11 ILE 869 6.831 7.176 -7.727 155 HD12 ILE 869 HD12 ILE 869 6.331 5.652 -8.432 156 HD13 ILE 869 HD13 ILE 869 7.405 5.658 -7.017 157 H CYS 870 H CYS 870 1.569 3.736 -6.367 158 HA CYS 870 HA CYS 870 1.294 1.684 -4.423 159 HB2 CYS 870 HB2 CYS 870 -0.596 2.835 -5.386 160 HB3 CYS 870 HB1 CYS 870 -0.084 2.420 -6.999 161 HA PRO 871 HA PRO 871 4.183 -0.951 -6.794 162 HB2 PRO 871 HB2 PRO 871 3.256 -2.871 -4.723 163 HB3 PRO 871 HB1 PRO 871 4.900 -2.450 -5.212 164 HG2 PRO 871 HG2 PRO 871 3.891 -1.565 -2.913 165 HG3 PRO 871 HG1 PRO 871 4.938 -0.536 -3.909 166 HD2 PRO 871 HD2 PRO 871 1.948 -0.439 -3.601 167 HD3 PRO 871 HD1 PRO 871 3.131 0.872 -3.753 168 H GLY 872 H GLY 872 0.825 -1.075 -6.485 169 HA2 GLY 872 HA2 GLY 872 0.417 -3.660 -7.684 170 HA3 GLY 872 HA1 GLY 872 -0.801 -2.422 -7.407 171 H CYS 873 H CYS 873 0.453 -0.266 -8.770 172 HA CYS 873 HA CYS 873 0.148 -1.110 -11.565 173 HB2 CYS 873 HB2 CYS 873 -0.480 1.302 -11.739 174 HB3 CYS 873 HB1 CYS 873 -1.567 0.305 -10.760 175 H ASN 874 H ASN 874 2.101 0.470 -9.198 176 HA ASN 874 HA ASN 874 4.074 1.397 -9.078 177 HB2 ASN 874 HB2 ASN 874 4.436 0.490 -11.947 178 HB3 ASN 874 HB1 ASN 874 5.645 1.480 -11.144 179 HD21 ASN 874 HD21 ASN 874 7.205 -0.091 -11.228 180 HD22 ASN 874 HD22 ASN 874 7.164 -1.540 -10.303 181 H LYS 875 H LYS 875 1.614 2.691 -9.737 182 HA LYS 875 HA LYS 875 2.659 5.131 -10.964 183 HB2 LYS 875 HB2 LYS 875 -0.198 4.278 -10.478 184 HB3 LYS 875 HB1 LYS 875 0.323 5.821 -11.142 185 HG2 LYS 875 HG2 LYS 875 1.222 4.718 -13.091 186 HG3 LYS 875 HG1 LYS 875 0.810 3.137 -12.418 187 HD2 LYS 875 HD2 LYS 875 -1.534 3.705 -12.435 188 HD3 LYS 875 HD1 LYS 875 -1.178 5.328 -13.029 189 HE2 LYS 875 HE2 LYS 875 -1.944 3.992 -14.884 190 HE3 LYS 875 HE1 LYS 875 -0.232 4.275 -15.096 191 HZ1 LYS 875 HZ1 LYS 875 -1.407 1.790 -13.977 192 HZ2 LYS 875 HZ2 LYS 875 0.237 2.036 -14.348 193 HZ3 LYS 875 HZ3 LYS 875 -0.919 1.993 -15.558 194 HA PRO 876 HA PRO 876 2.558 7.024 -6.911 195 HB2 PRO 876 HB2 PRO 876 2.727 9.589 -7.750 196 HB3 PRO 876 HB1 PRO 876 4.120 8.511 -7.720 197 HG2 PRO 876 HG2 PRO 876 2.398 9.331 -10.010 198 HG3 PRO 876 HG1 PRO 876 4.150 9.087 -9.960 199 HD2 PRO 876 HD2 PRO 876 2.428 7.247 -10.998 200 HD3 PRO 876 HD1 PRO 876 3.961 6.813 -10.244 201 H ASP 877 H ASP 877 1.403 8.665 -5.758 202 HA ASP 877 HA ASP 877 -1.382 8.565 -6.015 203 HB2 ASP 877 HB2 ASP 877 -0.519 8.880 -3.842 204 HB3 ASP 877 HB1 ASP 877 0.427 10.281 -4.329 205 H ASP 878 H ASP 878 -2.835 9.811 -6.854 206 HA ASP 878 HA ASP 878 -2.017 12.222 -8.347 207 HB2 ASP 878 HB2 ASP 878 -2.428 10.182 -9.784 208 HB3 ASP 878 HB1 ASP 878 -4.071 10.139 -9.174 209 H GLY 879 H GLY 879 -3.540 11.289 -5.670 210 HA2 GLY 879 HA2 GLY 879 -5.017 12.571 -4.398 211 HA3 GLY 879 HA1 GLY 879 -5.593 13.353 -5.868 212 H SER 880 H SER 880 -5.220 9.952 -5.817 213 HA SER 880 HA SER 880 -8.064 9.631 -6.156 214 HG SER 880 HG SER 880 -4.961 7.811 -7.821 215 HB2 SER 880 HB2 SER 880 -7.113 7.304 -6.894 216 HB3 SER 880 HB1 SER 880 -6.917 8.718 -7.934 217 HA PRO 881 HA PRO 881 -8.617 7.664 -2.187 218 HB2 PRO 881 HB2 PRO 881 -10.043 5.422 -3.488 219 HB3 PRO 881 HB1 PRO 881 -10.605 6.535 -2.253 220 HG2 PRO 881 HG2 PRO 881 -11.487 6.759 -4.771 221 HG3 PRO 881 HG1 PRO 881 -11.185 8.186 -3.771 222 HD2 PRO 881 HD2 PRO 881 -9.505 7.021 -5.957 223 HD3 PRO 881 HD1 PRO 881 -9.848 8.722 -5.574 224 H MET 882 H MET 882 -7.027 6.717 -1.221 225 HA MET 882 HA MET 882 -5.837 4.331 -2.394 226 HB2 MET 882 HB2 MET 882 -4.506 6.373 -0.579 227 HB3 MET 882 HB1 MET 882 -3.745 4.949 -1.271 228 HG2 MET 882 HG2 MET 882 -4.170 5.888 -3.532 229 HG3 MET 882 HG1 MET 882 -4.766 7.356 -2.771 230 HE1 MET 882 HE1 MET 882 -0.390 5.900 -2.877 231 HE2 MET 882 HE2 MET 882 -1.706 5.230 -3.835 232 HE3 MET 882 HE3 MET 882 -1.658 4.957 -2.097 233 H ILE 883 H ILE 883 -4.892 2.893 -0.767 234 HA ILE 883 HA ILE 883 -6.413 2.879 1.720 235 HB ILE 883 HB ILE 883 -7.558 1.320 0.132 236 HG12 ILE 883 HG12 ILE 883 -6.014 -0.273 2.175 237 HG13 ILE 883 HG11 ILE 883 -7.346 0.800 2.591 238 HG21 ILE 883 HG21 ILE 883 -5.789 0.858 -1.393 239 HG22 ILE 883 HG22 ILE 883 -6.481 -0.629 -0.766 240 HG23 ILE 883 HG23 ILE 883 -4.931 -0.058 -0.156 241 HD11 ILE 883 HD11 ILE 883 -8.840 -0.532 1.216 242 HD12 ILE 883 HD12 ILE 883 -8.059 -1.501 2.468 243 HD13 ILE 883 HD13 ILE 883 -7.499 -1.600 0.800 244 H GLY 884 H GLY 884 -5.307 1.903 3.499 245 HA2 GLY 884 HA2 GLY 884 -2.419 1.676 3.015 246 HA3 GLY 884 HA1 GLY 884 -3.151 2.247 4.511 247 H CYS 885 H CYS 885 -1.267 0.090 4.124 248 HA CYS 885 HA CYS 885 -2.695 -2.391 4.433 249 HB2 CYS 885 HB2 CYS 885 -0.518 -2.238 3.255 250 HB3 CYS 885 HB1 CYS 885 0.245 -1.733 4.749 251 H ASP 886 H ASP 886 -1.799 -3.759 6.243 252 HA ASP 886 HA ASP 886 -2.061 -2.313 8.803 253 HB2 ASP 886 HB2 ASP 886 -3.874 -3.956 8.402 254 HB3 ASP 886 HB1 ASP 886 -2.677 -5.225 8.205 255 H ASP 887 H ASP 887 -0.005 -4.178 6.810 256 HA ASP 887 HA ASP 887 1.769 -4.865 9.045 257 HB2 ASP 887 HB2 ASP 887 1.312 -6.593 7.271 258 HB3 ASP 887 HB1 ASP 887 2.130 -5.553 6.116 259 H CYS 888 H CYS 888 1.777 -3.056 5.992 260 HA CYS 888 HA CYS 888 4.234 -1.771 6.901 261 HB2 CYS 888 HB2 CYS 888 4.513 -0.973 4.543 262 HB3 CYS 888 HB1 CYS 888 4.520 -2.721 4.676 263 H ASP 889 H ASP 889 4.197 0.626 5.790 264 HA ASP 889 HA ASP 889 1.763 1.850 6.944 265 HB2 ASP 889 HB2 ASP 889 3.851 2.146 8.319 266 HB3 ASP 889 HB1 ASP 889 4.590 2.973 6.961 267 H ASP 890 H ASP 890 2.612 1.059 4.138 268 HA ASP 890 HA ASP 890 2.628 3.737 2.983 269 HB2 ASP 890 HB2 ASP 890 3.495 1.136 1.702 270 HB3 ASP 890 HB1 ASP 890 3.463 2.696 0.879 271 H TRP 891 H TRP 891 1.489 3.921 0.836 272 HA TRP 891 HA TRP 891 -1.194 2.789 1.250 273 HD1 TRP 891 HD TRP 891 0.693 6.006 2.636 274 HE1 TRP 891 HE1 TRP 891 -0.474 6.843 4.789 275 HE3 TRP 891 HE3 TRP 891 -4.127 4.785 1.487 276 HZ2 TRP 891 HZ2 TRP 891 -3.072 6.944 5.847 277 HZ3 TRP 891 HZ3 TRP 891 -5.895 5.292 3.126 278 HH2 TRP 891 HH TRP 891 -5.363 6.350 5.259 279 HB2 TRP 891 HB2 TRP 891 -0.405 5.493 0.149 280 HB3 TRP 891 HB1 TRP 891 -2.045 4.866 0.151 281 H TYR 892 H TYR 892 -2.327 2.014 -0.429 282 HA TYR 892 HA TYR 892 -1.070 1.860 -3.113 283 HD1 TYR 892 HD1 TYR 892 -0.616 0.177 -0.045 284 HD2 TYR 892 HD2 TYR 892 -0.666 -1.694 -3.855 285 HE1 TYR 892 HE1 TYR 892 1.361 -1.098 0.581 286 HE2 TYR 892 HE2 TYR 892 1.332 -2.988 -3.252 287 HH TYR 892 HH TYR 892 2.224 -3.396 -0.193 288 HB2 TYR 892 HB2 TYR 892 -2.775 -0.151 -1.620 289 HB3 TYR 892 HB1 TYR 892 -2.372 -0.287 -3.323 290 H HIS 893 H HIS 893 -2.892 1.442 -4.782 291 HA HIS 893 HA HIS 893 -5.054 3.340 -4.110 292 HD2 HIS 893 HD2 HIS 893 -4.486 5.972 -5.600 293 HE1 HIS 893 HE1 HIS 893 -0.727 5.154 -7.368 294 HE2 HIS 893 HE2 HIS 893 -2.254 6.956 -6.489 295 HB2 HIS 893 HB2 HIS 893 -4.332 2.240 -6.834 296 HB3 HIS 893 HB1 HIS 893 -5.567 3.444 -6.514 297 H TRP 894 H TRP 894 -7.232 2.925 -4.483 298 HA TRP 894 HA TRP 894 -8.160 0.427 -3.732 299 HD1 TRP 894 HD TRP 894 -7.853 1.916 -2.023 300 HE1 TRP 894 HE1 TRP 894 -8.871 3.023 0.052 301 HE3 TRP 894 HE3 TRP 894 -12.432 3.110 -3.909 302 HZ2 TRP 894 HZ2 TRP 894 -11.308 4.227 0.804 303 HZ3 TRP 894 HZ3 TRP 894 -14.054 4.228 -2.451 304 HH2 TRP 894 HH TRP 894 -13.503 4.763 -0.143 305 HB2 TRP 894 HB2 TRP 894 -9.574 2.750 -4.988 306 HB3 TRP 894 HB1 TRP 894 -10.446 1.284 -4.580 307 HA PRO 895 HA PRO 895 -9.546 -0.599 -8.306 308 HB2 PRO 895 HB2 PRO 895 -8.041 0.547 -10.279 309 HB3 PRO 895 HB1 PRO 895 -9.590 1.194 -9.725 310 HG2 PRO 895 HG2 PRO 895 -6.813 1.997 -8.928 311 HG3 PRO 895 HG1 PRO 895 -8.190 3.037 -9.357 312 HD2 PRO 895 HD2 PRO 895 -7.540 2.638 -6.804 313 HD3 PRO 895 HD1 PRO 895 -9.242 2.670 -7.305 314 H CYS 896 H CYS 896 -6.271 -0.144 -7.254 315 HA CYS 896 HA CYS 896 -5.077 -1.967 -9.094 316 HB2 CYS 896 HB2 CYS 896 -4.139 -0.744 -6.543 317 HB3 CYS 896 HB1 CYS 896 -3.099 -1.462 -7.761 318 H VAL 897 H VAL 897 -6.378 -2.055 -5.901 319 HA VAL 897 HA VAL 897 -5.406 -4.797 -5.591 320 HB VAL 897 HB VAL 897 -5.833 -4.446 -3.122 321 HG11 VAL 897 HG11 VAL 897 -3.795 -3.054 -2.828 322 HG12 VAL 897 HG12 VAL 897 -3.927 -2.531 -4.504 323 HG13 VAL 897 HG13 VAL 897 -3.585 -4.218 -4.136 324 HG21 VAL 897 HG21 VAL 897 -6.155 -2.158 -2.335 325 HG22 VAL 897 HG22 VAL 897 -7.421 -2.590 -3.509 326 HG23 VAL 897 HG23 VAL 897 -6.066 -1.593 -4.008 327 H GLY 898 H GLY 898 -8.255 -2.882 -5.829 328 HA2 GLY 898 HA2 GLY 898 -10.246 -3.954 -6.601 329 HA3 GLY 898 HA1 GLY 898 -9.797 -5.359 -5.646 330 H ILE 899 H ILE 899 -10.135 -1.900 -4.940 331 HA ILE 899 HA ILE 899 -11.935 -2.649 -2.733 332 HB ILE 899 HB ILE 899 -10.321 -0.099 -3.046 333 HG12 ILE 899 HG12 ILE 899 -8.950 -2.104 -2.587 334 HG13 ILE 899 HG11 ILE 899 -8.851 -0.883 -1.322 335 HG21 ILE 899 HG21 ILE 899 -10.990 0.355 -0.724 336 HG22 ILE 899 HG22 ILE 899 -11.998 -1.093 -0.749 337 HG23 ILE 899 HG23 ILE 899 -12.373 0.260 -1.812 338 HD11 ILE 899 HD11 ILE 899 -10.388 -2.195 0.008 339 HD12 ILE 899 HD12 ILE 899 -8.920 -3.087 -0.399 340 HD13 ILE 899 HD13 ILE 899 -10.442 -3.443 -1.248 341 H MET 900 H MET 900 -13.950 -2.223 -3.207 342 HA MET 900 HA MET 900 -14.625 -0.361 -5.336 343 HB2 MET 900 HB2 MET 900 -16.445 -2.050 -3.605 344 HB3 MET 900 HB1 MET 900 -16.926 -1.134 -5.017 345 HG2 MET 900 HG2 MET 900 -15.558 -2.570 -6.432 346 HG3 MET 900 HG1 MET 900 -15.030 -3.472 -5.014 347 HE1 MET 900 HE1 MET 900 -18.650 -2.073 -5.912 348 HE2 MET 900 HE2 MET 900 -19.333 -3.489 -6.709 349 HE3 MET 900 HE3 MET 900 -17.977 -2.637 -7.440 350 H ALA 901 H ALA 901 -14.934 -0.726 -1.839 351 HA ALA 901 HA ALA 901 -15.670 2.058 -1.588 352 HB1 ALA 901 HB1 ALA 901 -17.820 0.912 -1.681 353 HB2 ALA 901 HB2 ALA 901 -17.506 1.481 -0.043 354 HB3 ALA 901 HB3 ALA 901 -17.286 -0.223 -0.443 355 H ALA 902 H ALA 902 -15.294 2.771 0.560 356 HA ALA 902 HA ALA 902 -12.895 1.969 1.605 357 HB1 ALA 902 HB1 ALA 902 -13.348 3.451 3.472 358 HB2 ALA 902 HB2 ALA 902 -15.062 3.469 3.058 359 HB3 ALA 902 HB3 ALA 902 -13.882 4.183 1.957 360 HA PRO 903 HA PRO 903 -14.287 -1.712 3.852 361 HB2 PRO 903 HB2 PRO 903 -11.758 -2.395 4.663 362 HB3 PRO 903 HB1 PRO 903 -12.439 -2.874 3.109 363 HG2 PRO 903 HG2 PRO 903 -10.552 -0.657 3.754 364 HG3 PRO 903 HG1 PRO 903 -10.595 -1.724 2.338 365 HD2 PRO 903 HD2 PRO 903 -11.499 0.819 2.255 366 HD3 PRO 903 HD1 PRO 903 -12.230 -0.454 1.289 367 HA PRO 904 HA PRO 904 -14.631 -0.121 7.959 368 HB2 PRO 904 HB2 PRO 904 -13.934 -2.864 8.887 369 HB3 PRO 904 HB1 PRO 904 -15.324 -1.860 9.306 370 HG2 PRO 904 HG2 PRO 904 -15.584 -3.916 7.636 371 HG3 PRO 904 HG1 PRO 904 -16.474 -2.403 7.374 372 HD2 PRO 904 HD2 PRO 904 -14.076 -3.462 5.954 373 HD3 PRO 904 HD1 PRO 904 -15.444 -2.513 5.332 374 H GLU 905 H GLU 905 -13.376 0.602 9.602 375 HA GLU 905 HA GLU 905 -10.592 0.616 9.205 376 HB2 GLU 905 HB2 GLU 905 -10.726 1.838 11.544 377 HB3 GLU 905 HB1 GLU 905 -11.285 2.619 10.078 378 HG2 GLU 905 HG2 GLU 905 -12.795 2.939 12.022 379 HG3 GLU 905 HG1 GLU 905 -13.583 2.184 10.641 380 H GLU 906 H GLU 906 -12.655 -1.312 11.153 381 HA GLU 906 HA GLU 906 -10.624 -2.456 12.812 382 HB2 GLU 906 HB2 GLU 906 -12.334 -4.130 13.378 383 HB3 GLU 906 HB1 GLU 906 -12.974 -2.495 13.477 384 HG2 GLU 906 HG2 GLU 906 -14.116 -2.751 11.384 385 HG3 GLU 906 HG1 GLU 906 -13.357 -4.319 11.120 386 H MET 907 H MET 907 -11.386 -2.808 9.556 387 HA MET 907 HA MET 907 -10.759 -5.614 9.366 388 HB2 MET 907 HB2 MET 907 -12.454 -4.733 7.893 389 HB3 MET 907 HB1 MET 907 -11.323 -3.547 7.252 390 HG2 MET 907 HG2 MET 907 -9.972 -5.378 6.315 391 HG3 MET 907 HG1 MET 907 -11.151 -6.540 6.913 392 HE1 MET 907 HE1 MET 907 -11.342 -7.559 4.476 393 HE2 MET 907 HE2 MET 907 -10.188 -6.375 3.861 394 HE3 MET 907 HE3 MET 907 -11.728 -6.611 3.041 395 H GLN 908 H GLN 908 -8.837 -6.346 9.242 396 HA GLN 908 HA GLN 908 -6.581 -4.655 8.668 397 HB2 GLN 908 HB2 GLN 908 -6.726 -7.627 9.015 398 HB3 GLN 908 HB1 GLN 908 -5.257 -6.699 8.896 399 HG2 GLN 908 HG2 GLN 908 -5.736 -5.541 10.965 400 HG3 GLN 908 HG1 GLN 908 -7.257 -6.423 11.128 401 HE21 GLN 908 HE21 GLN 908 -3.764 -6.669 11.248 402 HE22 GLN 908 HE22 GLN 908 -3.729 -8.177 12.060 403 H TRP 909 H TRP 909 -5.739 -4.480 6.826 404 HA TRP 909 HA TRP 909 -6.576 -6.235 4.656 405 HD1 TRP 909 HD TRP 909 -8.283 -5.352 2.090 406 HE1 TRP 909 HE1 TRP 909 -7.305 -4.892 -0.259 407 HE3 TRP 909 HE3 TRP 909 -4.287 -2.527 3.426 408 HZ2 TRP 909 HZ2 TRP 909 -5.127 -3.488 -1.357 409 HZ3 TRP 909 HZ3 TRP 909 -2.777 -1.660 1.679 410 HH2 TRP 909 HH TRP 909 -3.198 -2.140 -0.672 411 HB2 TRP 909 HB2 TRP 909 -7.821 -4.140 4.464 412 HB3 TRP 909 HB1 TRP 909 -6.331 -3.219 4.616 413 H PHE 910 H PHE 910 -4.962 -6.793 3.297 414 HA PHE 910 HA PHE 910 -2.350 -5.649 3.878 415 HD1 PHE 910 HD2 PHE 910 -0.850 -6.761 5.819 416 HD2 PHE 910 HD1 PHE 910 -4.269 -9.209 5.199 417 HE1 PHE 910 HE2 PHE 910 -1.124 -6.992 8.249 418 HE2 PHE 910 HE1 PHE 910 -4.562 -9.436 7.626 419 HZ PHE 910 HZ PHE 910 -2.993 -8.320 9.157 420 HB2 PHE 910 HB2 PHE 910 -2.955 -8.575 3.372 421 HB3 PHE 910 HB1 PHE 910 -1.351 -7.881 3.612 422 H CYS 911 H CYS 911 -1.153 -5.224 2.167 423 HA CYS 911 HA CYS 911 -2.453 -5.006 -0.347 424 HB2 CYS 911 HB2 CYS 911 -0.283 -3.959 -0.894 425 HB3 CYS 911 HB1 CYS 911 -1.062 -3.284 0.530 426 HA PRO 912 HA PRO 912 -0.910 -8.514 -2.652 427 HB2 PRO 912 HB2 PRO 912 0.785 -7.141 -4.474 428 HB3 PRO 912 HB1 PRO 912 -0.898 -7.598 -4.745 429 HG2 PRO 912 HG2 PRO 912 0.236 -4.995 -3.817 430 HG3 PRO 912 HG1 PRO 912 -1.172 -5.260 -4.854 431 HD2 PRO 912 HD2 PRO 912 -1.515 -4.561 -2.347 432 HD3 PRO 912 HD1 PRO 912 -2.526 -5.840 -3.043 433 H LYS 913 H LYS 913 1.411 -6.109 -1.505 434 HA LYS 913 HA LYS 913 3.603 -7.948 -1.818 435 HB2 LYS 913 HB2 LYS 913 3.587 -5.192 -0.605 436 HB3 LYS 913 HB1 LYS 913 5.021 -6.169 -0.858 437 HG2 LYS 913 HG2 LYS 913 3.217 -5.252 -3.103 438 HG3 LYS 913 HG1 LYS 913 4.599 -4.333 -2.537 439 HD2 LYS 913 HD2 LYS 913 5.271 -5.525 -4.519 440 HD3 LYS 913 HD1 LYS 913 6.060 -6.293 -3.153 441 HE2 LYS 913 HE2 LYS 913 4.601 -8.179 -3.271 442 HE3 LYS 913 HE1 LYS 913 3.510 -7.366 -4.417 443 HZ1 LYS 913 HZ1 LYS 913 6.294 -8.296 -4.854 444 HZ2 LYS 913 HZ2 LYS 913 5.346 -7.497 -6.003 445 HZ3 LYS 913 HZ3 LYS 913 4.874 -9.013 -5.423 446 H CYS 914 H CYS 914 1.812 -6.616 0.949 447 HA CYS 914 HA CYS 914 3.398 -8.245 2.657 448 HB2 CYS 914 HB2 CYS 914 0.963 -6.568 3.217 449 HB3 CYS 914 HB1 CYS 914 1.794 -7.510 4.455 450 H ALA 915 H ALA 915 0.543 -8.732 0.868 451 HA ALA 915 HA ALA 915 -0.319 -11.030 2.280 452 HB1 ALA 915 HB1 ALA 915 -1.584 -11.592 0.272 453 HB2 ALA 915 HB2 ALA 915 -0.707 -10.359 -0.644 454 HB3 ALA 915 HB3 ALA 915 -1.778 -9.886 0.681 455 H ASN 916 H ASN 916 2.255 -10.398 0.058 456 HA ASN 916 HA ASN 916 2.822 -13.173 -0.468 457 HB2 ASN 916 HB2 ASN 916 4.450 -10.674 -0.967 458 HB3 ASN 916 HB1 ASN 916 5.044 -12.279 -1.340 459 HD21 ASN 916 HD21 ASN 916 2.370 -13.215 -2.308 460 HD22 ASN 916 HD22 ASN 916 2.176 -12.424 -3.822 461 H LYS 917 H LYS 917 3.279 -11.146 2.138 462 HA LYS 917 HA LYS 917 5.614 -12.534 3.192 463 HB2 LYS 917 HB2 LYS 917 3.724 -10.548 4.489 464 HB3 LYS 917 HB1 LYS 917 5.190 -11.167 5.220 465 HG2 LYS 917 HG2 LYS 917 6.547 -10.006 3.628 466 HG3 LYS 917 HG1 LYS 917 5.125 -9.537 2.688 467 HD2 LYS 917 HD2 LYS 917 4.296 -8.240 4.608 468 HD3 LYS 917 HD1 LYS 917 5.713 -8.706 5.536 469 HE2 LYS 917 HE2 LYS 917 7.158 -7.482 4.076 470 HE3 LYS 917 HE1 LYS 917 5.846 -7.198 2.935 471 HZ1 LYS 917 HZ1 LYS 917 6.360 -5.246 4.437 472 HZ2 LYS 917 HZ2 LYS 917 5.658 -6.147 5.721 473 HZ3 LYS 917 HZ3 LYS 917 4.786 -5.786 4.387 474 H ILE 918 H ILE 918 2.252 -11.999 4.094 475 HA ILE 918 HA ILE 918 2.139 -13.944 6.138 476 HB ILE 918 HB ILE 918 -0.112 -12.660 4.565 477 HG12 ILE 918 HG12 ILE 918 1.121 -11.941 7.229 478 HG13 ILE 918 HG11 ILE 918 1.365 -11.068 5.720 479 HG21 ILE 918 HG21 ILE 918 -1.544 -13.276 6.476 480 HG22 ILE 918 HG22 ILE 918 -0.189 -14.112 7.228 481 HG23 ILE 918 HG23 ILE 918 -0.861 -14.710 5.711 482 HD11 ILE 918 HD11 ILE 918 -0.225 -9.942 7.161 483 HD12 ILE 918 HD12 ILE 918 -1.242 -11.387 7.178 484 HD13 ILE 918 HD13 ILE 918 -0.996 -10.498 5.676 485 H LYS 919 H LYS 919 0.859 -13.976 2.758 486 HA LYS 919 HA LYS 919 0.154 -15.459 1.400 487 HB2 LYS 919 HB2 LYS 919 1.766 -17.437 2.911 488 HB3 LYS 919 HB1 LYS 919 1.364 -17.308 1.172 489 HG2 LYS 919 HG2 LYS 919 2.930 -15.565 0.850 490 HG3 LYS 919 HG1 LYS 919 3.143 -15.347 2.583 491 HD2 LYS 919 HD2 LYS 919 4.070 -17.695 0.919 492 HD3 LYS 919 HD1 LYS 919 5.081 -16.475 1.686 493 HE2 LYS 919 HE2 LYS 919 3.426 -18.617 3.061 494 HE3 LYS 919 HE1 LYS 919 5.172 -18.486 2.999 495 HZ1 LYS 919 HZ1 LYS 919 4.405 -17.789 5.133 496 HZ2 LYS 919 HZ2 LYS 919 3.308 -16.719 4.522 497 HZ3 LYS 919 HZ3 LYS 919 4.961 -16.397 4.365 498 H LYS 920 H LYS 920 -0.792 -17.755 1.308 499 HA LYS 920 HA LYS 920 -2.164 -18.414 3.799 500 HB2 LYS 920 HB2 LYS 920 -3.780 -17.895 1.977 501 HB3 LYS 920 HB1 LYS 920 -3.013 -19.093 0.945 502 HG2 LYS 920 HG2 LYS 920 -5.067 -19.979 1.883 503 HG3 LYS 920 HG1 LYS 920 -3.670 -20.857 2.509 504 HD2 LYS 920 HD2 LYS 920 -3.795 -19.314 4.540 505 HD3 LYS 920 HD1 LYS 920 -5.363 -18.798 3.918 506 HE2 LYS 920 HE2 LYS 920 -4.581 -21.626 4.637 507 HE3 LYS 920 HE1 LYS 920 -5.557 -20.547 5.620 508 HZ1 LYS 920 HZ1 LYS 920 -7.273 -20.587 3.958 509 HZ2 LYS 920 HZ2 LYS 920 -6.858 -22.165 4.371 510 HZ3 LYS 920 HZ3 LYS 920 -6.316 -21.516 2.917 511 H ASP 921 H ASP 921 -0.593 -19.589 0.901 512 HA ASP 921 HA ASP 921 1.000 -21.080 0.505 513 HB2 ASP 921 HB2 ASP 921 2.156 -20.347 2.500 514 HB3 ASP 921 HB1 ASP 921 1.154 -21.385 3.503 515 H LYS 922 H LYS 922 0.939 -22.989 -0.333 516 HA LYS 922 HA LYS 922 0.607 -25.194 -0.695 517 HB2 LYS 922 HB2 LYS 922 1.154 -25.272 1.794 518 HB3 LYS 922 HB1 LYS 922 -0.571 -25.386 2.072 519 HG2 LYS 922 HG2 LYS 922 -0.623 -27.480 0.834 520 HG3 LYS 922 HG1 LYS 922 1.115 -27.358 0.556 521 HD2 LYS 922 HD2 LYS 922 1.343 -27.167 3.088 522 HD3 LYS 922 HD1 LYS 922 -0.327 -27.718 3.165 523 HE2 LYS 922 HE2 LYS 922 1.114 -29.586 3.452 524 HE3 LYS 922 HE1 LYS 922 0.347 -29.732 1.869 525 HZ1 LYS 922 HZ1 LYS 922 3.088 -28.722 2.393 526 HZ2 LYS 922 HZ2 LYS 922 2.416 -28.921 0.851 527 HZ3 LYS 922 HZ3 LYS 922 2.703 -30.251 1.844 528 H LYS 923 H LYS 923 -1.056 -26.547 -1.487 529 HA LYS 923 HA LYS 923 -3.639 -25.239 -1.464 530 HB2 LYS 923 HB2 LYS 923 -4.410 -26.818 -3.258 531 HB3 LYS 923 HB1 LYS 923 -3.046 -25.828 -3.725 532 HG2 LYS 923 HG2 LYS 923 -2.714 -28.656 -2.775 533 HG3 LYS 923 HG1 LYS 923 -3.087 -28.283 -4.458 534 HD2 LYS 923 HD2 LYS 923 -1.056 -26.873 -4.539 535 HD3 LYS 923 HD1 LYS 923 -0.697 -27.351 -2.882 536 HE2 LYS 923 HE2 LYS 923 -0.558 -29.691 -3.587 537 HE3 LYS 923 HE1 LYS 923 -0.909 -29.200 -5.245 538 HZ1 LYS 923 HZ1 LYS 923 1.477 -28.406 -3.660 539 HZ2 LYS 923 HZ2 LYS 923 1.145 -27.879 -5.214 540 HZ3 LYS 923 HZ3 LYS 923 1.440 -29.518 -4.924 541 H HIS 924 H HIS 924 -3.898 -25.619 0.630 542 HA HIS 924 HA HIS 924 -5.567 -27.820 1.250 543 HD1 HIS 924 HD1 HIS 924 -2.367 -29.745 4.229 544 HD2 HIS 924 HD2 HIS 924 -6.364 -28.796 3.559 545 HE1 HIS 924 HE1 HIS 924 -3.620 -30.840 6.063 546 HE2 HIS 924 HE2 HIS 924 -5.928 -29.917 5.853 547 HB2 HIS 924 HB2 HIS 924 -3.355 -28.899 1.545 548 HB3 HIS 924 HB1 HIS 924 -2.849 -27.596 2.602 Start of MODEL 16 1 H1 GLY 850 HT1 GLY 850 14.345 10.922 1.554 2 H2 GLY 850 HT2 GLY 850 14.042 9.932 2.894 3 H3 GLY 850 HT3 GLY 850 15.104 9.415 1.689 4 HA2 GLY 850 HA1 GLY 850 16.674 11.128 2.267 5 HA3 GLY 850 HA2 GLY 850 15.546 11.721 3.486 6 H SER 851 H SER 851 16.465 11.189 5.435 7 HA SER 851 HA SER 851 17.873 8.807 5.907 8 HG SER 851 HG SER 851 16.080 11.083 8.687 9 HB2 SER 851 HB2 SER 851 17.350 9.456 8.335 10 HB3 SER 851 HB1 SER 851 18.204 10.668 7.371 11 H HIS 852 H HIS 852 14.561 9.849 6.350 12 HA HIS 852 HA HIS 852 13.743 7.064 6.629 13 HD2 HIS 852 HD2 HIS 852 14.292 10.107 9.158 14 HE1 HIS 852 HE1 HIS 852 12.811 7.082 11.714 15 HE2 HIS 852 HE2 HIS 852 14.473 8.963 11.488 16 HB2 HIS 852 HB2 HIS 852 12.236 9.631 7.218 17 HB3 HIS 852 HB1 HIS 852 11.531 8.023 7.305 18 H MET 853 H MET 853 11.870 6.472 5.329 19 HA MET 853 HA MET 853 10.864 6.160 3.363 20 HB2 MET 853 HB2 MET 853 11.490 9.087 2.831 21 HB3 MET 853 HB1 MET 853 10.483 8.089 1.798 22 HG2 MET 853 HG2 MET 853 8.873 7.832 3.603 23 HG3 MET 853 HG1 MET 853 9.905 8.783 4.671 24 HE1 MET 853 HE1 MET 853 6.827 9.433 4.165 25 HE2 MET 853 HE2 MET 853 6.884 11.190 4.003 26 HE3 MET 853 HE3 MET 853 7.861 10.384 5.229 27 H ALA 854 H ALA 854 11.394 6.506 0.869 28 HA ALA 854 HA ALA 854 14.093 5.493 0.629 29 HB1 ALA 854 HB1 ALA 854 12.205 4.301 -0.388 30 HB2 ALA 854 HB2 ALA 854 13.384 4.806 -1.591 31 HB3 ALA 854 HB3 ALA 854 11.874 5.701 -1.410 32 H MET 855 H MET 855 14.681 6.261 -2.019 33 HA MET 855 HA MET 855 15.603 8.945 -1.671 34 HB2 MET 855 HB2 MET 855 15.682 7.064 -4.039 35 HB3 MET 855 HB1 MET 855 16.327 8.694 -4.098 36 HG2 MET 855 HG2 MET 855 17.242 6.561 -2.184 37 HG3 MET 855 HG1 MET 855 18.047 6.972 -3.700 38 HE1 MET 855 HE1 MET 855 20.326 7.334 -2.347 39 HE2 MET 855 HE2 MET 855 19.501 6.944 -0.836 40 HE3 MET 855 HE3 MET 855 20.473 8.411 -0.958 41 H ALA 856 H ALA 856 12.850 7.442 -2.988 42 HA ALA 856 HA ALA 856 11.452 9.846 -3.211 43 HB1 ALA 856 HB1 ALA 856 10.971 9.875 -5.470 44 HB2 ALA 856 HB2 ALA 856 11.979 8.440 -5.786 45 HB3 ALA 856 HB3 ALA 856 12.739 9.990 -5.308 46 H TYR 857 H TYR 857 9.724 8.649 -5.379 47 HA TYR 857 HA TYR 857 7.881 7.522 -5.535 48 HD1 TYR 857 HD2 TYR 857 10.568 6.346 -5.997 49 HD2 TYR 857 HD1 TYR 857 7.349 3.637 -5.462 50 HE1 TYR 857 HE2 TYR 857 11.210 5.194 -8.051 51 HE2 TYR 857 HE1 TYR 857 7.970 2.478 -7.517 52 HH TYR 857 HH TYR 857 9.192 2.970 -9.611 53 HB2 TYR 857 HB2 TYR 857 9.224 5.664 -3.563 54 HB3 TYR 857 HB1 TYR 857 7.535 5.408 -3.994 55 H VAL 858 H VAL 858 8.540 9.620 -3.927 56 HA VAL 858 HA VAL 858 6.078 9.919 -2.547 57 HB VAL 858 HB VAL 858 7.899 9.141 -0.986 58 HG11 VAL 858 HG11 VAL 858 9.476 10.743 -0.013 59 HG12 VAL 858 HG12 VAL 858 9.108 11.825 -1.355 60 HG13 VAL 858 HG13 VAL 858 9.828 10.244 -1.671 61 HG21 VAL 858 HG21 VAL 858 7.259 10.686 0.873 62 HG22 VAL 858 HG22 VAL 858 5.894 10.094 -0.074 63 HG23 VAL 858 HG23 VAL 858 6.500 11.728 -0.331 64 H ILE 859 H ILE 859 5.314 11.488 -3.635 65 HA ILE 859 HA ILE 859 7.084 13.664 -4.567 66 HB ILE 859 HB ILE 859 4.471 12.811 -5.919 67 HG12 ILE 859 HG12 ILE 859 7.290 12.064 -6.777 68 HG13 ILE 859 HG11 ILE 859 6.155 10.968 -6.014 69 HG21 ILE 859 HG21 ILE 859 5.156 15.102 -6.352 70 HG22 ILE 859 HG22 ILE 859 5.300 14.114 -7.806 71 HG23 ILE 859 HG23 ILE 859 6.741 14.544 -6.885 72 HD11 ILE 859 HD11 ILE 859 4.650 11.186 -7.918 73 HD12 ILE 859 HD12 ILE 859 6.253 10.647 -8.428 74 HD13 ILE 859 HD13 ILE 859 5.764 12.323 -8.671 75 H ARG 860 H ARG 860 6.056 15.803 -4.431 76 HA ARG 860 HA ARG 860 3.897 15.752 -2.498 77 HE ARG 860 HE ARG 860 7.953 18.605 -2.386 78 HB2 ARG 860 HB2 ARG 860 5.727 18.012 -3.285 79 HB3 ARG 860 HB1 ARG 860 4.400 18.147 -2.140 80 HG2 ARG 860 HG2 ARG 860 5.496 16.501 -0.691 81 HG3 ARG 860 HG1 ARG 860 6.843 16.405 -1.823 82 HD2 ARG 860 HD2 ARG 860 5.918 18.829 -0.296 83 HD3 ARG 860 HD1 ARG 860 7.399 17.914 -0.016 84 HH11 ARG 860 HH11 ARG 860 6.174 20.625 -0.071 85 HH12 ARG 860 HH12 ARG 860 6.546 22.097 -0.860 86 HH21 ARG 860 HH21 ARG 860 8.495 20.671 -3.443 87 HH22 ARG 860 HH22 ARG 860 7.873 22.119 -2.787 88 H ASP 861 H ASP 861 2.058 16.513 -2.919 89 HA ASP 861 HA ASP 861 1.248 17.055 -5.635 90 HB2 ASP 861 HB2 ASP 861 -0.181 15.784 -4.024 91 HB3 ASP 861 HB1 ASP 861 -0.295 17.248 -3.044 92 H GLU 862 H GLU 862 -0.444 19.059 -5.704 93 HA GLU 862 HA GLU 862 1.231 21.360 -5.502 94 HB2 GLU 862 HB2 GLU 862 -0.707 22.590 -6.424 95 HB3 GLU 862 HB1 GLU 862 -0.261 21.190 -7.388 96 HG2 GLU 862 HG2 GLU 862 -2.122 19.948 -6.520 97 HG3 GLU 862 HG1 GLU 862 -2.514 21.250 -5.398 98 H TRP 863 H TRP 863 -1.403 19.992 -3.647 99 HA TRP 863 HA TRP 863 -1.612 22.306 -1.918 100 HD1 TRP 863 HD TRP 863 -3.066 19.401 1.107 101 HE1 TRP 863 HE1 TRP 863 -4.139 20.983 2.840 102 HE3 TRP 863 HE3 TRP 863 -3.856 23.452 -1.878 103 HZ2 TRP 863 HZ2 TRP 863 -5.172 23.613 2.919 104 HZ3 TRP 863 HZ3 TRP 863 -4.887 25.452 -0.904 105 HH2 TRP 863 HH TRP 863 -5.529 25.531 1.445 106 HB2 TRP 863 HB2 TRP 863 -3.522 20.716 -2.316 107 HB3 TRP 863 HB1 TRP 863 -2.625 19.486 -1.433 108 H GLY 864 H GLY 864 0.629 19.910 -2.308 109 HA2 GLY 864 HA2 GLY 864 2.606 19.686 -1.068 110 HA3 GLY 864 HA1 GLY 864 1.825 20.494 0.288 111 H ASN 865 H ASN 865 0.037 18.076 -1.223 112 HA ASN 865 HA ASN 865 0.056 16.365 1.104 113 HB2 ASN 865 HB2 ASN 865 -1.250 16.001 -1.613 114 HB3 ASN 865 HB1 ASN 865 -1.500 14.957 -0.224 115 HD21 ASN 865 HD21 ASN 865 -3.358 16.649 -1.792 116 HD22 ASN 865 HD22 ASN 865 -4.132 17.642 -0.631 117 H GLN 866 H GLN 866 0.687 14.120 1.050 118 HA GLN 866 HA GLN 866 3.006 13.779 -0.612 119 HB2 GLN 866 HB2 GLN 866 1.878 12.038 1.567 120 HB3 GLN 866 HB1 GLN 866 3.306 11.646 0.622 121 HG2 GLN 866 HG2 GLN 866 4.443 13.561 1.440 122 HG3 GLN 866 HG1 GLN 866 2.995 14.094 2.290 123 HE21 GLN 866 HE21 GLN 866 4.002 14.028 4.274 124 HE22 GLN 866 HE22 GLN 866 4.445 12.559 5.073 125 H ILE 867 H ILE 867 2.929 12.982 -2.399 126 HA ILE 867 HA ILE 867 0.782 11.226 -3.262 127 HB ILE 867 HB ILE 867 3.133 12.420 -4.676 128 HG12 ILE 867 HG12 ILE 867 1.384 14.063 -4.233 129 HG13 ILE 867 HG11 ILE 867 1.509 13.700 -5.953 130 HG21 ILE 867 HG21 ILE 867 0.958 10.668 -5.810 131 HG22 ILE 867 HG22 ILE 867 2.649 10.239 -5.621 132 HG23 ILE 867 HG23 ILE 867 2.184 11.499 -6.778 133 HD11 ILE 867 HD11 ILE 867 -0.813 13.903 -5.266 134 HD12 ILE 867 HD12 ILE 867 -0.581 12.598 -4.096 135 HD13 ILE 867 HD13 ILE 867 -0.423 12.274 -5.825 136 H TRP 868 H TRP 868 1.056 9.266 -2.876 137 HA TRP 868 HA TRP 868 3.735 8.178 -2.439 138 HD1 TRP 868 HD TRP 868 4.236 8.219 0.139 139 HE1 TRP 868 HE1 TRP 868 3.488 9.546 2.229 140 HE3 TRP 868 HE3 TRP 868 -0.826 7.888 -0.457 141 HZ2 TRP 868 HZ2 TRP 868 1.076 10.303 3.465 142 HZ3 TRP 868 HZ3 TRP 868 -2.284 8.932 1.224 143 HH2 TRP 868 HH TRP 868 -1.357 10.114 3.138 144 HB2 TRP 868 HB2 TRP 868 1.025 7.142 -1.781 145 HB3 TRP 868 HB1 TRP 868 2.522 6.280 -1.360 146 H ILE 869 H ILE 869 4.392 6.372 -3.547 147 HA ILE 869 HA ILE 869 2.815 5.846 -5.915 148 HB ILE 869 HB ILE 869 5.776 5.417 -5.430 149 HG12 ILE 869 HG12 ILE 869 4.208 7.309 -7.192 150 HG13 ILE 869 HG11 ILE 869 5.200 7.745 -5.803 151 HG21 ILE 869 HG21 ILE 869 5.914 4.696 -7.766 152 HG22 ILE 869 HG22 ILE 869 4.157 4.781 -7.896 153 HG23 ILE 869 HG23 ILE 869 4.905 3.609 -6.812 154 HD11 ILE 869 HD11 ILE 869 6.051 6.792 -8.515 155 HD12 ILE 869 HD12 ILE 869 7.164 6.898 -7.168 156 HD13 ILE 869 HD13 ILE 869 6.351 8.360 -7.759 157 H CYS 870 H CYS 870 1.578 4.275 -5.819 158 HA CYS 870 HA CYS 870 1.354 2.254 -3.971 159 HB2 CYS 870 HB2 CYS 870 -0.443 3.130 -5.372 160 HB3 CYS 870 HB1 CYS 870 0.358 2.543 -6.809 161 HA PRO 871 HA PRO 871 4.803 -0.364 -5.435 162 HB2 PRO 871 HB2 PRO 871 3.514 -2.189 -3.476 163 HB3 PRO 871 HB1 PRO 871 5.203 -1.696 -3.606 164 HG2 PRO 871 HG2 PRO 871 3.658 -0.719 -1.680 165 HG3 PRO 871 HG1 PRO 871 4.834 0.317 -2.504 166 HD2 PRO 871 HD2 PRO 871 1.859 0.171 -2.885 167 HD3 PRO 871 HD1 PRO 871 2.945 1.580 -2.867 168 H GLY 872 H GLY 872 1.422 -0.902 -5.566 169 HA2 GLY 872 HA2 GLY 872 1.509 -3.536 -6.678 170 HA3 GLY 872 HA1 GLY 872 0.109 -2.480 -6.610 171 H CYS 873 H CYS 873 1.317 -0.265 -8.062 172 HA CYS 873 HA CYS 873 1.334 -1.482 -10.758 173 HB2 CYS 873 HB2 CYS 873 0.205 0.661 -11.393 174 HB3 CYS 873 HB1 CYS 873 -0.732 -0.404 -10.336 175 H ASN 874 H ASN 874 2.922 0.548 -8.531 176 HA ASN 874 HA ASN 874 4.787 1.755 -8.490 177 HB2 ASN 874 HB2 ASN 874 5.564 -0.022 -10.316 178 HB3 ASN 874 HB1 ASN 874 5.358 1.319 -11.429 179 HD21 ASN 874 HD21 ASN 874 7.275 -0.039 -8.920 180 HD22 ASN 874 HD22 ASN 874 8.597 1.051 -8.999 181 H LYS 875 H LYS 875 2.070 2.619 -9.454 182 HA LYS 875 HA LYS 875 2.775 5.098 -10.865 183 HB2 LYS 875 HB2 LYS 875 0.071 3.925 -10.196 184 HB3 LYS 875 HB1 LYS 875 0.341 5.436 -11.036 185 HG2 LYS 875 HG2 LYS 875 1.294 4.240 -12.913 186 HG3 LYS 875 HG1 LYS 875 1.136 2.718 -12.039 187 HD2 LYS 875 HD2 LYS 875 -0.744 2.753 -13.472 188 HD3 LYS 875 HD1 LYS 875 -1.374 3.231 -11.905 189 HE2 LYS 875 HE2 LYS 875 -0.744 5.081 -14.234 190 HE3 LYS 875 HE1 LYS 875 -2.338 4.572 -13.718 191 HZ1 LYS 875 HZ1 LYS 875 -1.900 6.786 -12.967 192 HZ2 LYS 875 HZ2 LYS 875 -0.482 6.393 -12.258 193 HZ3 LYS 875 HZ3 LYS 875 -1.954 5.852 -11.593 194 HA PRO 876 HA PRO 876 2.242 7.380 -7.051 195 HB2 PRO 876 HB2 PRO 876 1.924 9.808 -8.225 196 HB3 PRO 876 HB1 PRO 876 3.504 9.076 -7.981 197 HG2 PRO 876 HG2 PRO 876 1.858 9.281 -10.450 198 HG3 PRO 876 HG1 PRO 876 3.618 9.314 -10.267 199 HD2 PRO 876 HD2 PRO 876 2.185 7.133 -11.129 200 HD3 PRO 876 HD1 PRO 876 3.780 7.030 -10.362 201 H ASP 877 H ASP 877 0.577 8.467 -5.989 202 HA ASP 877 HA ASP 877 -2.030 7.842 -6.495 203 HB2 ASP 877 HB2 ASP 877 -1.490 8.722 -4.348 204 HB3 ASP 877 HB1 ASP 877 -0.961 10.254 -5.033 205 H ASP 878 H ASP 878 -3.490 8.368 -7.815 206 HA ASP 878 HA ASP 878 -2.956 10.334 -9.897 207 HB2 ASP 878 HB2 ASP 878 -5.063 8.187 -9.627 208 HB3 ASP 878 HB1 ASP 878 -4.934 9.290 -10.988 209 H GLY 879 H GLY 879 -4.219 10.500 -6.970 210 HA2 GLY 879 HA2 GLY 879 -5.423 12.304 -6.110 211 HA3 GLY 879 HA1 GLY 879 -6.113 12.588 -7.714 212 H SER 880 H SER 880 -5.795 9.551 -6.044 213 HA SER 880 HA SER 880 -8.700 9.282 -6.090 214 HG SER 880 HG SER 880 -7.768 7.243 -8.735 215 HB2 SER 880 HB2 SER 880 -6.597 7.167 -6.606 216 HB3 SER 880 HB1 SER 880 -8.337 6.947 -6.680 217 HA PRO 881 HA PRO 881 -8.139 8.176 -1.805 218 HB2 PRO 881 HB2 PRO 881 -9.891 5.818 -2.106 219 HB3 PRO 881 HB1 PRO 881 -10.135 7.264 -1.118 220 HG2 PRO 881 HG2 PRO 881 -11.591 6.829 -3.321 221 HG3 PRO 881 HG1 PRO 881 -11.069 8.465 -2.864 222 HD2 PRO 881 HD2 PRO 881 -9.889 6.597 -4.893 223 HD3 PRO 881 HD1 PRO 881 -10.201 8.334 -5.050 224 H MET 882 H MET 882 -6.627 7.079 -0.767 225 HA MET 882 HA MET 882 -5.601 4.665 -2.073 226 HB2 MET 882 HB2 MET 882 -4.046 6.615 -0.353 227 HB3 MET 882 HB1 MET 882 -3.400 5.188 -1.140 228 HG2 MET 882 HG2 MET 882 -3.990 6.218 -3.336 229 HG3 MET 882 HG1 MET 882 -4.422 7.690 -2.473 230 HE1 MET 882 HE1 MET 882 -0.189 5.944 -3.004 231 HE2 MET 882 HE2 MET 882 -1.645 5.409 -3.845 232 HE3 MET 882 HE3 MET 882 -1.440 5.065 -2.129 233 H ILE 883 H ILE 883 -4.770 3.041 -0.702 234 HA ILE 883 HA ILE 883 -5.894 3.116 1.995 235 HB ILE 883 HB ILE 883 -7.345 1.669 0.560 236 HG12 ILE 883 HG12 ILE 883 -5.674 -0.024 2.429 237 HG13 ILE 883 HG11 ILE 883 -6.907 1.105 2.971 238 HG21 ILE 883 HG21 ILE 883 -4.861 0.094 -0.024 239 HG22 ILE 883 HG22 ILE 883 -5.801 1.048 -1.172 240 HG23 ILE 883 HG23 ILE 883 -6.503 -0.386 -0.436 241 HD11 ILE 883 HD11 ILE 883 -8.593 -0.180 1.758 242 HD12 ILE 883 HD12 ILE 883 -7.739 -1.160 2.953 243 HD13 ILE 883 HD13 ILE 883 -7.342 -1.309 1.240 244 H GLY 884 H GLY 884 -4.587 2.291 3.586 245 HA2 GLY 884 HA2 GLY 884 -1.857 1.635 2.718 246 HA3 GLY 884 HA1 GLY 884 -2.294 2.305 4.290 247 H CYS 885 H CYS 885 -0.735 -0.008 3.933 248 HA CYS 885 HA CYS 885 -2.404 -2.307 4.308 249 HB2 CYS 885 HB2 CYS 885 -0.161 -2.472 3.269 250 HB3 CYS 885 HB1 CYS 885 0.573 -1.971 4.780 251 H ASP 886 H ASP 886 -1.985 -3.677 6.233 252 HA ASP 886 HA ASP 886 -2.526 -2.090 8.641 253 HB2 ASP 886 HB2 ASP 886 -4.025 -4.012 8.046 254 HB3 ASP 886 HB1 ASP 886 -2.656 -5.094 8.220 255 H ASP 887 H ASP 887 -0.149 -4.017 7.100 256 HA ASP 887 HA ASP 887 1.354 -4.312 9.589 257 HB2 ASP 887 HB2 ASP 887 0.994 -6.343 8.215 258 HB3 ASP 887 HB1 ASP 887 1.911 -5.592 6.913 259 H CYS 888 H CYS 888 1.838 -3.140 6.235 260 HA CYS 888 HA CYS 888 4.204 -1.787 7.251 261 HB2 CYS 888 HB2 CYS 888 4.778 -1.410 4.821 262 HB3 CYS 888 HB1 CYS 888 4.765 -3.093 5.319 263 H ASP 889 H ASP 889 4.515 0.387 5.787 264 HA ASP 889 HA ASP 889 2.096 1.901 6.497 265 HB2 ASP 889 HB2 ASP 889 3.464 3.836 6.958 266 HB3 ASP 889 HB1 ASP 889 4.060 2.465 7.878 267 H ASP 890 H ASP 890 3.193 0.659 3.877 268 HA ASP 890 HA ASP 890 3.308 3.013 2.221 269 HB2 ASP 890 HB2 ASP 890 3.518 0.085 1.558 270 HB3 ASP 890 HB1 ASP 890 3.325 1.293 0.296 271 H TRP 891 H TRP 891 1.918 3.424 0.463 272 HA TRP 891 HA TRP 891 -0.838 2.642 1.091 273 HD1 TRP 891 HD TRP 891 1.431 5.354 2.602 274 HE1 TRP 891 HE1 TRP 891 0.421 6.157 4.863 275 HE3 TRP 891 HE3 TRP 891 -3.524 5.076 1.450 276 HZ2 TRP 891 HZ2 TRP 891 -2.106 6.612 5.973 277 HZ3 TRP 891 HZ3 TRP 891 -5.179 5.715 3.154 278 HH2 TRP 891 HH TRP 891 -4.482 6.463 5.370 279 HB2 TRP 891 HB2 TRP 891 0.223 5.293 0.104 280 HB3 TRP 891 HB1 TRP 891 -1.483 4.874 0.116 281 H TYR 892 H TYR 892 -2.142 2.068 -0.485 282 HA TYR 892 HA TYR 892 -1.038 1.786 -3.200 283 HD1 TYR 892 HD2 TYR 892 -0.895 -0.024 0.008 284 HD2 TYR 892 HD1 TYR 892 -0.759 -1.600 -3.931 285 HE1 TYR 892 HE2 TYR 892 1.013 -1.395 0.642 286 HE2 TYR 892 HE1 TYR 892 1.158 -3.003 -3.304 287 HH TYR 892 HH TYR 892 2.008 -3.551 -0.124 288 HB2 TYR 892 HB2 TYR 892 -2.910 -0.016 -1.646 289 HB3 TYR 892 HB1 TYR 892 -2.518 -0.220 -3.347 290 H HIS 893 H HIS 893 -2.709 1.734 -4.811 291 HA HIS 893 HA HIS 893 -4.776 3.762 -4.351 292 HD2 HIS 893 HD2 HIS 893 -4.341 6.030 -6.594 293 HE1 HIS 893 HE1 HIS 893 -0.644 4.807 -8.221 294 HE2 HIS 893 HE2 HIS 893 -2.365 6.553 -8.226 295 HB2 HIS 893 HB2 HIS 893 -4.180 2.141 -6.844 296 HB3 HIS 893 HB1 HIS 893 -5.387 3.397 -6.739 297 H TRP 894 H TRP 894 -6.985 3.361 -4.278 298 HA TRP 894 HA TRP 894 -7.986 0.942 -3.453 299 HD1 TRP 894 HD TRP 894 -7.772 2.321 -1.676 300 HE1 TRP 894 HE1 TRP 894 -8.960 3.244 0.420 301 HE3 TRP 894 HE3 TRP 894 -12.245 3.610 -3.778 302 HZ2 TRP 894 HZ2 TRP 894 -11.478 4.355 1.092 303 HZ3 TRP 894 HZ3 TRP 894 -13.988 4.584 -2.340 304 HH2 TRP 894 HH TRP 894 -13.598 4.950 0.043 305 HB2 TRP 894 HB2 TRP 894 -9.309 3.319 -4.687 306 HB3 TRP 894 HB1 TRP 894 -10.250 1.860 -4.430 307 HA PRO 895 HA PRO 895 -9.424 -0.246 -7.987 308 HB2 PRO 895 HB2 PRO 895 -7.800 0.685 -9.992 309 HB3 PRO 895 HB1 PRO 895 -9.332 1.431 -9.525 310 HG2 PRO 895 HG2 PRO 895 -6.543 2.176 -8.724 311 HG3 PRO 895 HG1 PRO 895 -7.878 3.235 -9.219 312 HD2 PRO 895 HD2 PRO 895 -7.259 2.943 -6.641 313 HD3 PRO 895 HD1 PRO 895 -8.946 3.039 -7.157 314 H CYS 896 H CYS 896 -6.061 0.081 -7.014 315 HA CYS 896 HA CYS 896 -5.110 -2.012 -8.726 316 HB2 CYS 896 HB2 CYS 896 -3.861 -0.731 -6.311 317 HB3 CYS 896 HB1 CYS 896 -3.015 -1.730 -7.492 318 H VAL 897 H VAL 897 -6.455 -1.814 -5.602 319 HA VAL 897 HA VAL 897 -5.855 -4.638 -5.186 320 HB VAL 897 HB VAL 897 -6.300 -4.087 -2.695 321 HG11 VAL 897 HG11 VAL 897 -3.963 -3.272 -2.438 322 HG12 VAL 897 HG12 VAL 897 -3.943 -2.841 -4.142 323 HG13 VAL 897 HG13 VAL 897 -4.063 -4.535 -3.667 324 HG21 VAL 897 HG21 VAL 897 -6.151 -1.806 -2.026 325 HG22 VAL 897 HG22 VAL 897 -7.250 -1.797 -3.438 326 HG23 VAL 897 HG23 VAL 897 -5.582 -1.341 -3.619 327 H GLY 898 H GLY 898 -8.256 -2.652 -6.095 328 HA2 GLY 898 HA2 GLY 898 -10.435 -3.127 -6.609 329 HA3 GLY 898 HA1 GLY 898 -10.190 -4.737 -5.950 330 H ILE 899 H ILE 899 -9.903 -1.590 -4.436 331 HA ILE 899 HA ILE 899 -11.605 -2.444 -2.241 332 HB ILE 899 HB ILE 899 -10.240 0.201 -2.753 333 HG12 ILE 899 HG12 ILE 899 -8.731 -1.664 -2.375 334 HG13 ILE 899 HG11 ILE 899 -8.634 -0.477 -1.072 335 HG21 ILE 899 HG21 ILE 899 -11.623 -0.788 -0.267 336 HG22 ILE 899 HG22 ILE 899 -12.185 0.515 -1.316 337 HG23 ILE 899 HG23 ILE 899 -10.696 0.706 -0.389 338 HD11 ILE 899 HD11 ILE 899 -10.029 -3.150 -1.023 339 HD12 ILE 899 HD12 ILE 899 -10.031 -1.967 0.290 340 HD13 ILE 899 HD13 ILE 899 -8.518 -2.721 -0.217 341 H MET 900 H MET 900 -11.643 0.215 -4.021 342 HA MET 900 HA MET 900 -13.105 1.536 -5.164 343 HB2 MET 900 HB2 MET 900 -14.720 -0.964 -5.167 344 HB3 MET 900 HB1 MET 900 -15.109 0.535 -6.050 345 HG2 MET 900 HG2 MET 900 -13.039 0.307 -7.329 346 HG3 MET 900 HG1 MET 900 -12.637 -1.147 -6.423 347 HE1 MET 900 HE1 MET 900 -12.223 -2.388 -8.750 348 HE2 MET 900 HE2 MET 900 -12.665 -0.918 -9.612 349 HE3 MET 900 HE3 MET 900 -13.413 -2.455 -10.050 350 H ALA 901 H ALA 901 -13.959 0.324 -2.173 351 HA ALA 901 HA ALA 901 -15.547 2.616 -1.535 352 HB1 ALA 901 HB1 ALA 901 -17.462 1.295 -0.663 353 HB2 ALA 901 HB2 ALA 901 -16.749 -0.163 -1.352 354 HB3 ALA 901 HB3 ALA 901 -17.300 1.133 -2.413 355 H ALA 902 H ALA 902 -15.609 2.884 0.741 356 HA ALA 902 HA ALA 902 -13.312 2.202 2.051 357 HB1 ALA 902 HB1 ALA 902 -14.713 4.094 2.648 358 HB2 ALA 902 HB2 ALA 902 -14.348 3.098 4.060 359 HB3 ALA 902 HB3 ALA 902 -15.933 3.000 3.294 360 HA PRO 903 HA PRO 903 -14.281 -2.076 2.973 361 HB2 PRO 903 HB2 PRO 903 -11.882 -2.609 4.180 362 HB3 PRO 903 HB1 PRO 903 -12.128 -2.639 2.431 363 HG2 PRO 903 HG2 PRO 903 -10.955 -0.498 4.151 364 HG3 PRO 903 HG1 PRO 903 -10.447 -1.053 2.544 365 HD2 PRO 903 HD2 PRO 903 -11.866 1.213 2.896 366 HD3 PRO 903 HD1 PRO 903 -12.069 0.209 1.468 367 HA PRO 904 HA PRO 904 -15.584 -1.509 7.247 368 HB2 PRO 904 HB2 PRO 904 -15.963 -4.441 7.048 369 HB3 PRO 904 HB1 PRO 904 -17.136 -3.195 7.514 370 HG2 PRO 904 HG2 PRO 904 -17.311 -4.414 5.167 371 HG3 PRO 904 HG1 PRO 904 -17.616 -2.670 5.304 372 HD2 PRO 904 HD2 PRO 904 -15.173 -4.096 4.324 373 HD3 PRO 904 HD1 PRO 904 -16.003 -2.665 3.664 374 H GLU 905 H GLU 905 -14.529 -1.795 9.187 375 HA GLU 905 HA GLU 905 -11.879 -2.828 9.002 376 HB2 GLU 905 HB2 GLU 905 -11.571 -2.006 11.298 377 HB3 GLU 905 HB1 GLU 905 -12.196 -0.780 10.206 378 HG2 GLU 905 HG2 GLU 905 -14.421 -1.093 11.133 379 HG3 GLU 905 HG1 GLU 905 -13.802 -2.341 12.215 380 H GLU 906 H GLU 906 -14.647 -4.403 9.545 381 HA GLU 906 HA GLU 906 -13.865 -6.315 11.507 382 HB2 GLU 906 HB2 GLU 906 -15.618 -7.760 10.605 383 HB3 GLU 906 HB1 GLU 906 -16.225 -6.118 10.729 384 HG2 GLU 906 HG2 GLU 906 -15.986 -5.784 8.383 385 HG3 GLU 906 HG1 GLU 906 -15.179 -7.338 8.183 386 H MET 907 H MET 907 -12.956 -5.684 8.307 387 HA MET 907 HA MET 907 -11.700 -8.297 7.950 388 HB2 MET 907 HB2 MET 907 -13.076 -7.563 6.084 389 HB3 MET 907 HB1 MET 907 -12.206 -6.027 6.031 390 HG2 MET 907 HG2 MET 907 -10.124 -7.342 5.532 391 HG3 MET 907 HG1 MET 907 -11.150 -8.764 5.370 392 HE1 MET 907 HE1 MET 907 -10.240 -5.238 3.950 393 HE2 MET 907 HE2 MET 907 -11.974 -5.055 4.232 394 HE3 MET 907 HE3 MET 907 -11.346 -5.083 2.589 395 H GLN 908 H GLN 908 -9.605 -8.379 8.326 396 HA GLN 908 HA GLN 908 -8.105 -5.951 8.597 397 HB2 GLN 908 HB2 GLN 908 -7.202 -8.827 8.769 398 HB3 GLN 908 HB1 GLN 908 -6.177 -7.442 9.076 399 HG2 GLN 908 HG2 GLN 908 -8.649 -8.127 10.628 400 HG3 GLN 908 HG1 GLN 908 -7.002 -8.451 11.160 401 HE21 GLN 908 HE21 GLN 908 -5.705 -6.698 11.755 402 HE22 GLN 908 HE22 GLN 908 -6.358 -5.155 12.150 403 H TRP 909 H TRP 909 -6.475 -5.345 7.204 404 HA TRP 909 HA TRP 909 -6.720 -6.621 4.583 405 HD1 TRP 909 HD TRP 909 -8.623 -5.275 2.279 406 HE1 TRP 909 HE1 TRP 909 -7.625 -4.613 0.026 407 HE3 TRP 909 HE3 TRP 909 -4.349 -3.019 3.920 408 HZ2 TRP 909 HZ2 TRP 909 -5.328 -3.285 -0.935 409 HZ3 TRP 909 HZ3 TRP 909 -2.795 -2.076 2.250 410 HH2 TRP 909 HH TRP 909 -3.274 -2.218 -0.120 411 HB2 TRP 909 HB2 TRP 909 -8.122 -4.570 4.748 412 HB3 TRP 909 HB1 TRP 909 -6.668 -3.644 5.070 413 H PHE 910 H PHE 910 -4.889 -7.237 3.881 414 HA PHE 910 HA PHE 910 -2.475 -5.753 4.569 415 HD1 PHE 910 HD1 PHE 910 -0.941 -6.877 6.710 416 HD2 PHE 910 HD2 PHE 910 -4.252 -9.398 5.800 417 HE1 PHE 910 HE1 PHE 910 -1.381 -7.182 9.119 418 HE2 PHE 910 HE2 PHE 910 -4.682 -9.708 8.195 419 HZ PHE 910 HZ PHE 910 -3.264 -8.591 9.853 420 HB2 PHE 910 HB2 PHE 910 -2.749 -8.745 4.087 421 HB3 PHE 910 HB1 PHE 910 -1.254 -7.892 4.457 422 H CYS 911 H CYS 911 -1.195 -5.304 2.851 423 HA CYS 911 HA CYS 911 -2.467 -5.090 0.360 424 HB2 CYS 911 HB2 CYS 911 -0.357 -4.103 -0.357 425 HB3 CYS 911 HB1 CYS 911 -0.829 -3.503 1.222 426 HA PRO 912 HA PRO 912 -1.384 -8.744 -1.948 427 HB2 PRO 912 HB2 PRO 912 -0.185 -7.630 -4.193 428 HB3 PRO 912 HB1 PRO 912 -1.925 -7.834 -3.974 429 HG2 PRO 912 HG2 PRO 912 -0.219 -5.422 -3.486 430 HG3 PRO 912 HG1 PRO 912 -1.819 -5.499 -4.244 431 HD2 PRO 912 HD2 PRO 912 -1.605 -4.692 -1.751 432 HD3 PRO 912 HD1 PRO 912 -2.899 -5.816 -2.197 433 H LYS 913 H LYS 913 1.053 -6.474 -1.030 434 HA LYS 913 HA LYS 913 3.198 -8.174 -1.926 435 HB2 LYS 913 HB2 LYS 913 3.324 -5.625 -0.308 436 HB3 LYS 913 HB1 LYS 913 4.710 -6.482 -0.963 437 HG2 LYS 913 HG2 LYS 913 2.513 -5.412 -2.711 438 HG3 LYS 913 HG1 LYS 913 3.866 -4.414 -2.241 439 HD2 LYS 913 HD2 LYS 913 4.208 -5.317 -4.478 440 HD3 LYS 913 HD1 LYS 913 5.394 -6.014 -3.388 441 HE2 LYS 913 HE2 LYS 913 4.373 -8.107 -3.425 442 HE3 LYS 913 HE1 LYS 913 2.833 -7.469 -4.015 443 HZ1 LYS 913 HZ1 LYS 913 5.370 -7.619 -5.596 444 HZ2 LYS 913 HZ2 LYS 913 3.848 -7.120 -6.133 445 HZ3 LYS 913 HZ3 LYS 913 4.076 -8.696 -5.680 446 H CYS 914 H CYS 914 1.879 -7.070 1.180 447 HA CYS 914 HA CYS 914 3.503 -8.833 2.667 448 HB2 CYS 914 HB2 CYS 914 0.976 -7.347 3.343 449 HB3 CYS 914 HB1 CYS 914 1.782 -8.392 4.503 450 H ALA 915 H ALA 915 0.273 -9.092 1.303 451 HA ALA 915 HA ALA 915 -0.436 -11.526 2.505 452 HB1 ALA 915 HB1 ALA 915 -2.051 -10.066 1.378 453 HB2 ALA 915 HB2 ALA 915 -2.124 -11.711 0.741 454 HB3 ALA 915 HB3 ALA 915 -1.301 -10.443 -0.171 455 H ASN 916 H ASN 916 1.520 -10.810 -0.259 456 HA ASN 916 HA ASN 916 1.623 -13.355 -1.455 457 HB2 ASN 916 HB2 ASN 916 2.407 -11.299 -2.556 458 HB3 ASN 916 HB1 ASN 916 3.735 -11.200 -1.407 459 HD21 ASN 916 HD21 ASN 916 2.432 -12.844 -4.059 460 HD22 ASN 916 HD22 ASN 916 3.832 -13.739 -4.565 461 H LYS 917 H LYS 917 3.608 -11.851 1.003 462 HA LYS 917 HA LYS 917 5.314 -14.157 1.164 463 HB2 LYS 917 HB2 LYS 917 6.566 -13.013 2.887 464 HB3 LYS 917 HB1 LYS 917 6.282 -11.935 1.531 465 HG2 LYS 917 HG2 LYS 917 4.478 -10.869 2.808 466 HG3 LYS 917 HG1 LYS 917 4.845 -11.928 4.165 467 HD2 LYS 917 HD2 LYS 917 7.135 -11.019 4.226 468 HD3 LYS 917 HD1 LYS 917 6.706 -9.906 2.923 469 HE2 LYS 917 HE2 LYS 917 4.905 -9.005 4.357 470 HE3 LYS 917 HE1 LYS 917 5.464 -10.058 5.654 471 HZ1 LYS 917 HZ1 LYS 917 7.036 -7.903 4.377 472 HZ2 LYS 917 HZ2 LYS 917 7.580 -8.894 5.634 473 HZ3 LYS 917 HZ3 LYS 917 6.305 -7.826 5.890 474 H ILE 918 H ILE 918 2.647 -12.878 3.029 475 HA ILE 918 HA ILE 918 2.724 -14.692 5.190 476 HB ILE 918 HB ILE 918 0.294 -13.466 3.817 477 HG12 ILE 918 HG12 ILE 918 1.733 -12.586 6.322 478 HG13 ILE 918 HG11 ILE 918 1.894 -11.816 4.747 479 HG21 ILE 918 HG21 ILE 918 0.489 -14.761 6.536 480 HG22 ILE 918 HG22 ILE 918 -0.354 -15.415 5.131 481 HG23 ILE 918 HG23 ILE 918 -0.931 -13.932 5.897 482 HD11 ILE 918 HD11 ILE 918 0.398 -10.556 6.189 483 HD12 ILE 918 HD12 ILE 918 -0.623 -11.979 6.400 484 HD13 ILE 918 HD13 ILE 918 -0.487 -11.221 4.816 485 H LYS 919 H LYS 919 1.157 -14.758 2.043 486 HA LYS 919 HA LYS 919 0.367 -16.239 0.716 487 HB2 LYS 919 HB2 LYS 919 2.860 -16.834 1.058 488 HB3 LYS 919 HB1 LYS 919 2.246 -18.210 1.954 489 HG2 LYS 919 HG2 LYS 919 1.038 -18.962 -0.020 490 HG3 LYS 919 HG1 LYS 919 1.581 -17.544 -0.900 491 HD2 LYS 919 HD2 LYS 919 3.877 -18.233 -0.757 492 HD3 LYS 919 HD1 LYS 919 3.450 -19.611 0.257 493 HE2 LYS 919 HE2 LYS 919 2.542 -19.164 -2.581 494 HE3 LYS 919 HE1 LYS 919 3.839 -20.247 -2.087 495 HZ1 LYS 919 HZ1 LYS 919 1.833 -21.501 -2.407 496 HZ2 LYS 919 HZ2 LYS 919 0.951 -20.491 -1.413 497 HZ3 LYS 919 HZ3 LYS 919 2.143 -21.477 -0.750 498 H LYS 920 H LYS 920 0.234 -19.334 1.467 499 HA LYS 920 HA LYS 920 -1.442 -20.587 1.814 500 HB2 LYS 920 HB2 LYS 920 -1.427 -19.177 4.489 501 HB3 LYS 920 HB1 LYS 920 -2.242 -20.684 4.031 502 HG2 LYS 920 HG2 LYS 920 -0.119 -21.711 3.483 503 HG3 LYS 920 HG1 LYS 920 0.713 -20.237 3.975 504 HD2 LYS 920 HD2 LYS 920 -0.080 -20.515 6.243 505 HD3 LYS 920 HD1 LYS 920 -0.998 -21.946 5.764 506 HE2 LYS 920 HE2 LYS 920 2.000 -21.642 5.617 507 HE3 LYS 920 HE1 LYS 920 1.113 -22.555 6.834 508 HZ1 LYS 920 HZ1 LYS 920 1.969 -24.016 5.119 509 HZ2 LYS 920 HZ2 LYS 920 1.162 -23.175 3.910 510 HZ3 LYS 920 HZ3 LYS 920 0.281 -24.010 5.066 511 H ASP 921 H ASP 921 -2.025 -18.169 0.566 512 HA ASP 921 HA ASP 921 -4.670 -17.380 1.345 513 HB2 ASP 921 HB2 ASP 921 -3.164 -15.720 0.369 514 HB3 ASP 921 HB1 ASP 921 -2.977 -16.712 -1.070 515 H LYS 922 H LYS 922 -6.279 -18.565 0.884 516 HA LYS 922 HA LYS 922 -6.364 -20.051 -1.583 517 HB2 LYS 922 HB2 LYS 922 -5.571 -21.589 0.104 518 HB3 LYS 922 HB1 LYS 922 -6.811 -21.084 1.225 519 HG2 LYS 922 HG2 LYS 922 -7.535 -22.338 -1.376 520 HG3 LYS 922 HG1 LYS 922 -6.987 -23.349 -0.028 521 HD2 LYS 922 HD2 LYS 922 -9.310 -21.416 0.074 522 HD3 LYS 922 HD1 LYS 922 -9.479 -23.149 -0.207 523 HE2 LYS 922 HE2 LYS 922 -8.544 -23.642 1.964 524 HE3 LYS 922 HE1 LYS 922 -8.195 -21.942 2.251 525 HZ1 LYS 922 HZ1 LYS 922 -10.940 -22.982 1.849 526 HZ2 LYS 922 HZ2 LYS 922 -10.488 -21.468 2.475 527 HZ3 LYS 922 HZ3 LYS 922 -10.198 -22.862 3.336 528 H LYS 923 H LYS 923 -7.983 -18.507 1.190 529 HA LYS 923 HA LYS 923 -10.122 -17.824 -0.596 530 HB2 LYS 923 HB2 LYS 923 -10.751 -20.023 0.514 531 HB3 LYS 923 HB1 LYS 923 -10.773 -19.147 2.041 532 HG2 LYS 923 HG2 LYS 923 -13.022 -19.323 1.218 533 HG3 LYS 923 HG1 LYS 923 -12.484 -17.638 1.075 534 HD2 LYS 923 HD2 LYS 923 -11.974 -17.999 -1.288 535 HD3 LYS 923 HD1 LYS 923 -12.492 -19.673 -1.140 536 HE2 LYS 923 HE2 LYS 923 -14.750 -18.974 -0.671 537 HE3 LYS 923 HE1 LYS 923 -14.260 -17.278 -0.657 538 HZ1 LYS 923 HZ1 LYS 923 -14.123 -19.080 -3.027 539 HZ2 LYS 923 HZ2 LYS 923 -13.647 -17.466 -2.968 540 HZ3 LYS 923 HZ3 LYS 923 -15.262 -17.860 -2.768 541 H HIS 924 H HIS 924 -11.307 -16.065 0.126 542 HA HIS 924 HA HIS 924 -10.360 -14.679 2.511 543 HD1 HIS 924 HD1 HIS 924 -9.209 -11.983 2.751 544 HD2 HIS 924 HD2 HIS 924 -12.387 -11.238 0.166 545 HE1 HIS 924 HE1 HIS 924 -9.943 -9.642 3.239 546 HE2 HIS 924 HE2 HIS 924 -11.891 -9.222 1.720 547 HB2 HIS 924 HB2 HIS 924 -9.426 -13.602 0.528 548 HB3 HIS 924 HB1 HIS 924 -11.009 -13.578 -0.232 Start of MODEL 17 1 H1 GLY 850 HT1 GLY 850 8.480 7.874 -13.506 2 H2 GLY 850 HT2 GLY 850 8.229 7.399 -11.920 3 H3 GLY 850 HT3 GLY 850 9.341 6.574 -12.877 4 HA2 GLY 850 HA1 GLY 850 9.580 9.376 -11.974 5 HA3 GLY 850 HA2 GLY 850 10.455 8.005 -11.310 6 H SER 851 H SER 851 9.790 9.499 -14.494 7 HA SER 851 HA SER 851 12.391 8.592 -15.360 8 HG SER 851 HG SER 851 9.601 10.287 -17.673 9 HB2 SER 851 HB2 SER 851 11.536 9.479 -17.573 10 HB3 SER 851 HB1 SER 851 10.643 8.122 -16.880 11 H HIS 852 H HIS 852 10.667 11.538 -14.572 12 HA HIS 852 HA HIS 852 13.092 13.053 -15.278 13 HD2 HIS 852 HD2 HIS 852 13.777 15.224 -16.562 14 HE1 HIS 852 HE1 HIS 852 11.362 18.590 -15.673 15 HE2 HIS 852 HE2 HIS 852 13.722 17.752 -16.061 16 HB2 HIS 852 HB2 HIS 852 11.119 13.596 -16.675 17 HB3 HIS 852 HB1 HIS 852 10.240 14.060 -15.225 18 H MET 853 H MET 853 10.843 12.311 -12.774 19 HA MET 853 HA MET 853 11.990 14.385 -11.023 20 HB2 MET 853 HB2 MET 853 9.466 14.185 -11.337 21 HB3 MET 853 HB1 MET 853 9.563 12.635 -10.527 22 HG2 MET 853 HG2 MET 853 8.816 14.346 -8.982 23 HG3 MET 853 HG1 MET 853 10.396 13.734 -8.504 24 HE1 MET 853 HE1 MET 853 9.545 16.333 -11.399 25 HE2 MET 853 HE2 MET 853 9.705 17.851 -10.519 26 HE3 MET 853 HE3 MET 853 8.414 16.722 -10.105 27 H ALA 854 H ALA 854 13.302 11.905 -11.858 28 HA ALA 854 HA ALA 854 14.678 10.337 -11.118 29 HB1 ALA 854 HB1 ALA 854 14.154 11.361 -8.324 30 HB2 ALA 854 HB2 ALA 854 15.369 12.001 -9.430 31 HB3 ALA 854 HB3 ALA 854 15.506 10.347 -8.833 32 H MET 855 H MET 855 14.871 8.355 -9.716 33 HA MET 855 HA MET 855 12.248 7.071 -9.806 34 HB2 MET 855 HB2 MET 855 15.037 5.907 -9.864 35 HB3 MET 855 HB1 MET 855 13.562 4.953 -9.836 36 HG2 MET 855 HG2 MET 855 12.892 5.861 -11.964 37 HG3 MET 855 HG1 MET 855 14.296 6.922 -11.983 38 HE1 MET 855 HE1 MET 855 15.045 4.306 -14.816 39 HE2 MET 855 HE2 MET 855 14.831 6.016 -14.436 40 HE3 MET 855 HE3 MET 855 13.454 4.913 -14.358 41 H ALA 856 H ALA 856 11.268 6.973 -7.943 42 HA ALA 856 HA ALA 856 12.437 5.754 -5.687 43 HB1 ALA 856 HB1 ALA 856 12.132 7.593 -4.142 44 HB2 ALA 856 HB2 ALA 856 11.689 8.675 -5.470 45 HB3 ALA 856 HB3 ALA 856 13.330 8.013 -5.366 46 H TYR 857 H TYR 857 10.662 6.154 -3.812 47 HA TYR 857 HA TYR 857 8.112 5.621 -5.153 48 HD1 TYR 857 HD1 TYR 857 11.219 3.821 -3.142 49 HD2 TYR 857 HD2 TYR 857 7.748 2.620 -5.276 50 HE1 TYR 857 HE1 TYR 857 12.540 2.165 -4.285 51 HE2 TYR 857 HE2 TYR 857 9.058 0.904 -6.448 52 HH TYR 857 HH TYR 857 11.401 0.481 -7.039 53 HB2 TYR 857 HB2 TYR 857 9.034 4.586 -2.458 54 HB3 TYR 857 HB1 TYR 857 7.586 4.095 -3.337 55 H VAL 858 H VAL 858 9.724 7.727 -3.343 56 HA VAL 858 HA VAL 858 7.273 8.953 -2.293 57 HB VAL 858 HB VAL 858 10.026 9.092 -0.997 58 HG11 VAL 858 HG11 VAL 858 8.893 10.267 0.834 59 HG12 VAL 858 HG12 VAL 858 7.388 10.241 -0.086 60 HG13 VAL 858 HG13 VAL 858 8.772 11.156 -0.685 61 HG21 VAL 858 HG21 VAL 858 9.035 7.833 0.848 62 HG22 VAL 858 HG22 VAL 858 8.975 6.909 -0.656 63 HG23 VAL 858 HG23 VAL 858 7.523 7.701 -0.049 64 H ILE 859 H ILE 859 6.935 10.924 -2.982 65 HA ILE 859 HA ILE 859 9.109 12.461 -4.270 66 HB ILE 859 HB ILE 859 6.173 12.426 -5.127 67 HG12 ILE 859 HG12 ILE 859 8.530 11.185 -6.572 68 HG13 ILE 859 HG11 ILE 859 7.323 10.279 -5.666 69 HG21 ILE 859 HG21 ILE 859 6.917 13.695 -7.071 70 HG22 ILE 859 HG22 ILE 859 8.563 13.699 -6.446 71 HG23 ILE 859 HG23 ILE 859 7.289 14.546 -5.569 72 HD11 ILE 859 HD11 ILE 859 6.889 10.203 -8.067 73 HD12 ILE 859 HD12 ILE 859 6.791 11.964 -8.108 74 HD13 ILE 859 HD13 ILE 859 5.593 11.034 -7.210 75 H ARG 860 H ARG 860 9.031 14.726 -3.688 76 HA ARG 860 HA ARG 860 7.128 15.300 -1.547 77 HE ARG 860 HE ARG 860 11.897 15.041 0.240 78 HB2 ARG 860 HB2 ARG 860 9.359 17.096 -2.563 79 HB3 ARG 860 HB1 ARG 860 8.361 17.346 -1.130 80 HG2 ARG 860 HG2 ARG 860 9.317 15.353 -0.107 81 HG3 ARG 860 HG1 ARG 860 10.316 15.097 -1.536 82 HD2 ARG 860 HD2 ARG 860 11.379 17.292 -1.146 83 HD3 ARG 860 HD1 ARG 860 10.417 17.469 0.325 84 HH11 ARG 860 HH11 ARG 860 12.213 18.468 1.002 85 HH12 ARG 860 HH12 ARG 860 13.450 18.239 2.150 86 HH21 ARG 860 HH21 ARG 860 13.595 14.722 1.801 87 HH22 ARG 860 HH22 ARG 860 14.262 16.061 2.595 88 H ASP 861 H ASP 861 5.300 16.094 -2.062 89 HA ASP 861 HA ASP 861 4.640 17.201 -4.623 90 HB2 ASP 861 HB2 ASP 861 3.052 15.987 -3.057 91 HB3 ASP 861 HB1 ASP 861 3.099 17.427 -2.043 92 H GLU 862 H GLU 862 3.387 19.440 -4.526 93 HA GLU 862 HA GLU 862 5.328 21.446 -3.819 94 HB2 GLU 862 HB2 GLU 862 2.508 21.755 -4.859 95 HB3 GLU 862 HB1 GLU 862 3.706 23.041 -4.757 96 HG2 GLU 862 HG2 GLU 862 5.123 21.865 -6.338 97 HG3 GLU 862 HG1 GLU 862 3.954 20.547 -6.392 98 H TRP 863 H TRP 863 2.487 20.100 -2.471 99 HA TRP 863 HA TRP 863 2.272 22.051 -0.310 100 HD1 TRP 863 HD TRP 863 0.116 18.793 1.783 101 HE1 TRP 863 HE1 TRP 863 -1.129 20.088 3.618 102 HE3 TRP 863 HE3 TRP 863 0.105 23.431 -0.354 103 HZ2 TRP 863 HZ2 TRP 863 -2.012 22.725 4.098 104 HZ3 TRP 863 HZ3 TRP 863 -0.949 25.287 0.859 105 HH2 TRP 863 HH TRP 863 -1.988 24.938 3.045 106 HB2 TRP 863 HB2 TRP 863 0.309 20.784 -1.306 107 HB3 TRP 863 HB1 TRP 863 0.964 19.326 -0.579 108 H GLY 864 H GLY 864 4.433 19.764 -1.084 109 HA2 GLY 864 HA2 GLY 864 6.181 18.851 -0.016 110 HA3 GLY 864 HA1 GLY 864 5.738 19.617 1.476 111 H ASN 865 H ASN 865 3.399 17.723 -0.100 112 HA ASN 865 HA ASN 865 3.232 15.826 2.001 113 HB2 ASN 865 HB2 ASN 865 2.030 15.756 -0.780 114 HB3 ASN 865 HB1 ASN 865 1.693 14.561 0.461 115 HD21 ASN 865 HD21 ASN 865 -0.094 16.390 -0.924 116 HD22 ASN 865 HD22 ASN 865 -0.872 17.312 0.304 117 H GLN 866 H GLN 866 4.202 13.908 2.232 118 HA GLN 866 HA GLN 866 6.228 13.184 0.325 119 HB2 GLN 866 HB2 GLN 866 5.406 11.869 2.922 120 HB3 GLN 866 HB1 GLN 866 6.799 11.394 1.955 121 HG2 GLN 866 HG2 GLN 866 7.806 13.535 2.262 122 HG3 GLN 866 HG1 GLN 866 6.379 14.114 3.110 123 HE21 GLN 866 HE21 GLN 866 9.249 12.168 3.309 124 HE22 GLN 866 HE22 GLN 866 9.233 11.938 5.014 125 H ILE 867 H ILE 867 5.055 12.802 -1.335 126 HA ILE 867 HA ILE 867 2.729 11.333 -1.721 127 HB ILE 867 HB ILE 867 4.999 11.875 -3.623 128 HG12 ILE 867 HG12 ILE 867 4.014 13.893 -2.750 129 HG13 ILE 867 HG11 ILE 867 3.565 13.708 -4.442 130 HG21 ILE 867 HG21 ILE 867 3.691 10.044 -4.520 131 HG22 ILE 867 HG22 ILE 867 3.407 11.513 -5.458 132 HG23 ILE 867 HG23 ILE 867 2.206 10.967 -4.291 133 HD11 ILE 867 HD11 ILE 867 1.667 14.484 -3.186 134 HD12 ILE 867 HD12 ILE 867 1.837 13.164 -2.034 135 HD13 ILE 867 HD13 ILE 867 1.386 12.820 -3.709 136 H TRP 868 H TRP 868 2.210 9.304 -2.122 137 HA TRP 868 HA TRP 868 4.255 7.277 -1.645 138 HD1 TRP 868 HD TRP 868 3.528 5.634 1.151 139 HE1 TRP 868 HE1 TRP 868 3.339 6.905 3.396 140 HE3 TRP 868 HE3 TRP 868 0.819 9.672 -0.423 141 HZ2 TRP 868 HZ2 TRP 868 2.207 9.302 4.350 142 HZ3 TRP 868 HZ3 TRP 868 0.226 11.402 1.212 143 HH2 TRP 868 HH TRP 868 0.906 11.219 3.553 144 HB2 TRP 868 HB2 TRP 868 1.248 7.218 -1.373 145 HB3 TRP 868 HB1 TRP 868 2.300 5.834 -1.131 146 H ILE 869 H ILE 869 4.728 5.940 -3.226 147 HA ILE 869 HA ILE 869 2.998 5.908 -5.568 148 HB ILE 869 HB ILE 869 5.909 5.135 -5.245 149 HG12 ILE 869 HG12 ILE 869 4.478 7.218 -6.905 150 HG13 ILE 869 HG11 ILE 869 5.487 7.514 -5.499 151 HG21 ILE 869 HG21 ILE 869 4.183 4.725 -7.692 152 HG22 ILE 869 HG22 ILE 869 4.873 3.455 -6.685 153 HG23 ILE 869 HG23 ILE 869 5.932 4.509 -7.623 154 HD11 ILE 869 HD11 ILE 869 6.393 6.438 -8.152 155 HD12 ILE 869 HD12 ILE 869 7.442 6.780 -6.770 156 HD13 ILE 869 HD13 ILE 869 6.580 8.091 -7.582 157 H CYS 870 H CYS 870 1.634 4.408 -5.754 158 HA CYS 870 HA CYS 870 1.237 2.229 -4.102 159 HB2 CYS 870 HB2 CYS 870 -0.532 3.273 -5.391 160 HB3 CYS 870 HB1 CYS 870 0.267 2.873 -6.892 161 HA PRO 871 HA PRO 871 4.486 -0.407 -5.957 162 HB2 PRO 871 HB2 PRO 871 3.480 -2.266 -3.886 163 HB3 PRO 871 HB1 PRO 871 5.125 -1.696 -4.172 164 HG2 PRO 871 HG2 PRO 871 3.701 -0.825 -2.083 165 HG3 PRO 871 HG1 PRO 871 4.795 0.255 -2.962 166 HD2 PRO 871 HD2 PRO 871 1.792 0.092 -3.131 167 HD3 PRO 871 HD1 PRO 871 2.879 1.491 -3.134 168 H GLY 872 H GLY 872 1.207 -0.620 -6.126 169 HA2 GLY 872 HA2 GLY 872 1.058 -3.322 -7.165 170 HA3 GLY 872 HA1 GLY 872 -0.265 -2.160 -7.082 171 H CYS 873 H CYS 873 0.836 -0.009 -8.416 172 HA CYS 873 HA CYS 873 0.999 -1.068 -11.165 173 HB2 CYS 873 HB2 CYS 873 -0.099 1.100 -11.731 174 HB3 CYS 873 HB1 CYS 873 -1.088 0.033 -10.730 175 H ASN 874 H ASN 874 2.344 0.878 -8.736 176 HA ASN 874 HA ASN 874 3.954 2.194 -8.436 177 HB2 ASN 874 HB2 ASN 874 5.090 1.146 -11.034 178 HB3 ASN 874 HB1 ASN 874 5.930 2.306 -10.007 179 HD21 ASN 874 HD21 ASN 874 7.623 0.956 -9.499 180 HD22 ASN 874 HD22 ASN 874 7.446 -0.456 -8.519 181 H LYS 875 H LYS 875 1.934 3.393 -8.828 182 HA LYS 875 HA LYS 875 2.740 5.776 -10.326 183 HB2 LYS 875 HB2 LYS 875 -0.058 4.699 -9.909 184 HB3 LYS 875 HB1 LYS 875 0.317 6.319 -10.487 185 HG2 LYS 875 HG2 LYS 875 1.329 5.392 -12.477 186 HG3 LYS 875 HG1 LYS 875 1.072 3.760 -11.867 187 HD2 LYS 875 HD2 LYS 875 -0.646 4.369 -13.510 188 HD3 LYS 875 HD1 LYS 875 -1.324 4.081 -11.910 189 HE2 LYS 875 HE2 LYS 875 -2.357 6.038 -12.992 190 HE3 LYS 875 HE1 LYS 875 -1.508 6.497 -11.524 191 HZ1 LYS 875 HZ1 LYS 875 -1.135 8.045 -13.347 192 HZ2 LYS 875 HZ2 LYS 875 -0.463 6.825 -14.295 193 HZ3 LYS 875 HZ3 LYS 875 0.321 7.335 -12.896 194 HA PRO 876 HA PRO 876 2.440 7.673 -6.284 195 HB2 PRO 876 HB2 PRO 876 2.413 10.249 -7.107 196 HB3 PRO 876 HB1 PRO 876 3.887 9.291 -7.081 197 HG2 PRO 876 HG2 PRO 876 2.100 9.993 -9.365 198 HG3 PRO 876 HG1 PRO 876 3.868 9.887 -9.319 199 HD2 PRO 876 HD2 PRO 876 2.278 7.954 -10.378 200 HD3 PRO 876 HD1 PRO 876 3.858 7.621 -9.656 201 H ASP 877 H ASP 877 1.059 9.290 -5.122 202 HA ASP 877 HA ASP 877 -1.669 9.140 -5.258 203 HB2 ASP 877 HB2 ASP 877 -0.028 11.595 -4.540 204 HB3 ASP 877 HB1 ASP 877 -1.738 11.409 -4.211 205 H ASP 878 H ASP 878 -2.768 9.387 -7.171 206 HA ASP 878 HA ASP 878 -2.073 11.654 -8.901 207 HB2 ASP 878 HB2 ASP 878 -3.240 10.523 -10.678 208 HB3 ASP 878 HB1 ASP 878 -2.170 9.362 -9.900 209 H GLY 879 H GLY 879 -4.357 10.700 -6.625 210 HA2 GLY 879 HA2 GLY 879 -5.892 12.590 -6.031 211 HA3 GLY 879 HA1 GLY 879 -6.341 12.570 -7.737 212 H SER 880 H SER 880 -6.018 9.599 -7.695 213 HA SER 880 HA SER 880 -8.670 8.927 -7.104 214 HG SER 880 HG SER 880 -6.591 8.487 -9.430 215 HB2 SER 880 HB2 SER 880 -6.259 7.204 -7.662 216 HB3 SER 880 HB1 SER 880 -7.932 6.665 -7.726 217 HA PRO 881 HA PRO 881 -8.414 7.833 -2.851 218 HB2 PRO 881 HB2 PRO 881 -9.889 5.321 -3.246 219 HB3 PRO 881 HB1 PRO 881 -10.385 6.785 -2.400 220 HG2 PRO 881 HG2 PRO 881 -11.464 6.060 -4.773 221 HG3 PRO 881 HG1 PRO 881 -11.265 7.755 -4.290 222 HD2 PRO 881 HD2 PRO 881 -9.576 6.106 -6.139 223 HD3 PRO 881 HD1 PRO 881 -10.082 7.790 -6.304 224 H MET 882 H MET 882 -7.110 6.781 -1.498 225 HA MET 882 HA MET 882 -5.690 4.449 -2.499 226 HB2 MET 882 HB2 MET 882 -4.413 6.907 -1.264 227 HB3 MET 882 HB1 MET 882 -3.565 5.402 -1.602 228 HG2 MET 882 HG2 MET 882 -4.031 5.643 -3.970 229 HG3 MET 882 HG1 MET 882 -4.932 7.119 -3.666 230 HE1 MET 882 HE1 MET 882 -1.453 5.903 -2.152 231 HE2 MET 882 HE2 MET 882 -0.345 6.719 -3.260 232 HE3 MET 882 HE3 MET 882 -1.386 5.423 -3.852 233 H ILE 883 H ILE 883 -4.864 3.103 -0.953 234 HA ILE 883 HA ILE 883 -5.894 3.470 1.754 235 HB ILE 883 HB ILE 883 -7.453 1.946 0.514 236 HG12 ILE 883 HG12 ILE 883 -5.743 0.367 2.450 237 HG13 ILE 883 HG11 ILE 883 -6.934 1.560 2.947 238 HG21 ILE 883 HG21 ILE 883 -6.714 -0.200 -0.350 239 HG22 ILE 883 HG22 ILE 883 -5.040 0.259 -0.053 240 HG23 ILE 883 HG23 ILE 883 -6.005 1.155 -1.220 241 HD11 ILE 883 HD11 ILE 883 -7.485 -0.962 1.417 242 HD12 ILE 883 HD12 ILE 883 -8.690 0.233 1.913 243 HD13 ILE 883 HD13 ILE 883 -7.805 -0.685 3.129 244 H GLY 884 H GLY 884 -4.568 2.430 3.366 245 HA2 GLY 884 HA2 GLY 884 -1.889 1.771 2.347 246 HA3 GLY 884 HA1 GLY 884 -2.206 2.547 3.892 247 H CYS 885 H CYS 885 -0.798 0.044 3.192 248 HA CYS 885 HA CYS 885 -2.359 -2.156 4.095 249 HB2 CYS 885 HB2 CYS 885 -0.373 -2.466 2.678 250 HB3 CYS 885 HB1 CYS 885 0.647 -1.798 3.941 251 H ASP 886 H ASP 886 -2.081 -3.280 6.038 252 HA ASP 886 HA ASP 886 -1.761 -1.509 8.316 253 HB2 ASP 886 HB2 ASP 886 -3.691 -3.120 8.192 254 HB3 ASP 886 HB1 ASP 886 -2.534 -4.435 8.288 255 H ASP 887 H ASP 887 -0.003 -3.938 6.613 256 HA ASP 887 HA ASP 887 1.747 -4.380 8.904 257 HB2 ASP 887 HB2 ASP 887 1.111 -6.385 7.595 258 HB3 ASP 887 HB1 ASP 887 1.900 -5.690 6.179 259 H CYS 888 H CYS 888 1.899 -3.102 5.617 260 HA CYS 888 HA CYS 888 4.554 -2.105 6.325 261 HB2 CYS 888 HB2 CYS 888 4.973 -1.677 3.925 262 HB3 CYS 888 HB1 CYS 888 4.560 -3.354 4.205 263 H ASP 889 H ASP 889 4.856 0.097 4.901 264 HA ASP 889 HA ASP 889 2.742 1.813 5.992 265 HB2 ASP 889 HB2 ASP 889 4.877 2.045 7.176 266 HB3 ASP 889 HB1 ASP 889 5.703 2.386 5.666 267 H ASP 890 H ASP 890 3.298 0.473 3.322 268 HA ASP 890 HA ASP 890 3.518 2.770 1.587 269 HB2 ASP 890 HB2 ASP 890 3.494 -0.191 1.069 270 HB3 ASP 890 HB1 ASP 890 3.228 0.950 -0.242 271 H TRP 891 H TRP 891 1.999 3.230 -0.045 272 HA TRP 891 HA TRP 891 -0.735 2.573 0.746 273 HD1 TRP 891 HD TRP 891 1.333 4.674 2.667 274 HE1 TRP 891 HE1 TRP 891 0.163 5.395 4.816 275 HE3 TRP 891 HE3 TRP 891 -3.308 5.555 0.772 276 HZ2 TRP 891 HZ2 TRP 891 -2.417 6.251 5.617 277 HZ3 TRP 891 HZ3 TRP 891 -5.071 6.331 2.286 278 HH2 TRP 891 HH TRP 891 -4.633 6.672 4.663 279 HB2 TRP 891 HB2 TRP 891 0.447 5.229 -0.035 280 HB3 TRP 891 HB1 TRP 891 -1.270 4.903 -0.226 281 H TYR 892 H TYR 892 -2.151 2.151 -0.794 282 HA TYR 892 HA TYR 892 -1.125 1.871 -3.542 283 HD1 TYR 892 HD1 TYR 892 -0.842 0.039 -0.349 284 HD2 TYR 892 HD2 TYR 892 -0.796 -1.537 -4.286 285 HE1 TYR 892 HE1 TYR 892 1.054 -1.358 0.256 286 HE2 TYR 892 HE2 TYR 892 1.123 -2.954 -3.700 287 HH TYR 892 HH TYR 892 1.904 -3.581 -0.603 288 HB2 TYR 892 HB2 TYR 892 -2.901 0.012 -1.958 289 HB3 TYR 892 HB1 TYR 892 -2.533 -0.158 -3.665 290 H HIS 893 H HIS 893 -2.858 1.814 -5.071 291 HA HIS 893 HA HIS 893 -4.985 3.720 -4.383 292 HD2 HIS 893 HD2 HIS 893 -4.349 6.233 -6.099 293 HE1 HIS 893 HE1 HIS 893 -0.741 5.151 -8.000 294 HE2 HIS 893 HE2 HIS 893 -2.094 7.047 -7.144 295 HB2 HIS 893 HB2 HIS 893 -4.415 2.413 -7.058 296 HB3 HIS 893 HB1 HIS 893 -5.592 3.682 -6.779 297 H TRP 894 H TRP 894 -7.172 3.263 -4.467 298 HA TRP 894 HA TRP 894 -8.060 0.812 -3.602 299 HD1 TRP 894 HD TRP 894 -7.804 2.438 -1.920 300 HE1 TRP 894 HE1 TRP 894 -9.018 3.317 0.199 301 HE3 TRP 894 HE3 TRP 894 -12.498 3.092 -3.845 302 HZ2 TRP 894 HZ2 TRP 894 -11.586 4.177 0.934 303 HZ3 TRP 894 HZ3 TRP 894 -14.271 3.944 -2.367 304 HH2 TRP 894 HH TRP 894 -13.815 4.472 -0.029 305 HB2 TRP 894 HB2 TRP 894 -9.496 3.107 -4.874 306 HB3 TRP 894 HB1 TRP 894 -10.377 1.624 -4.555 307 HA PRO 895 HA PRO 895 -9.492 -0.571 -8.039 308 HB2 PRO 895 HB2 PRO 895 -8.245 0.561 -10.174 309 HB3 PRO 895 HB1 PRO 895 -9.753 1.187 -9.497 310 HG2 PRO 895 HG2 PRO 895 -6.939 2.094 -8.966 311 HG3 PRO 895 HG1 PRO 895 -8.366 3.073 -9.372 312 HD2 PRO 895 HD2 PRO 895 -7.543 2.837 -6.855 313 HD3 PRO 895 HD1 PRO 895 -9.276 2.816 -7.240 314 H CYS 896 H CYS 896 -6.263 0.007 -7.010 315 HA CYS 896 HA CYS 896 -5.058 -1.862 -8.864 316 HB2 CYS 896 HB2 CYS 896 -3.990 -0.451 -6.450 317 HB3 CYS 896 HB1 CYS 896 -3.015 -1.334 -7.612 318 H VAL 897 H VAL 897 -6.173 -1.737 -5.607 319 HA VAL 897 HA VAL 897 -5.133 -4.416 -5.144 320 HB VAL 897 HB VAL 897 -5.580 -3.905 -2.715 321 HG11 VAL 897 HG11 VAL 897 -3.585 -2.463 -2.519 322 HG12 VAL 897 HG12 VAL 897 -3.733 -2.050 -4.227 323 HG13 VAL 897 HG13 VAL 897 -3.343 -3.700 -3.758 324 HG21 VAL 897 HG21 VAL 897 -5.933 -1.137 -3.826 325 HG22 VAL 897 HG22 VAL 897 -5.924 -1.552 -2.105 326 HG23 VAL 897 HG23 VAL 897 -7.205 -2.156 -3.180 327 H GLY 898 H GLY 898 -8.016 -2.706 -5.687 328 HA2 GLY 898 HA2 GLY 898 -9.959 -3.871 -6.326 329 HA3 GLY 898 HA1 GLY 898 -9.428 -5.216 -5.323 330 H ILE 899 H ILE 899 -9.804 -1.774 -4.539 331 HA ILE 899 HA ILE 899 -11.520 -2.604 -2.335 332 HB ILE 899 HB ILE 899 -10.423 0.164 -2.913 333 HG12 ILE 899 HG12 ILE 899 -8.631 -1.360 -2.338 334 HG13 ILE 899 HG11 ILE 899 -8.892 -0.199 -1.048 335 HG21 ILE 899 HG21 ILE 899 -11.849 -0.937 -0.504 336 HG22 ILE 899 HG22 ILE 899 -12.479 0.255 -1.644 337 HG23 ILE 899 HG23 ILE 899 -11.119 0.666 -0.601 338 HD11 ILE 899 HD11 ILE 899 -9.802 -3.072 -1.061 339 HD12 ILE 899 HD12 ILE 899 -10.109 -1.888 0.216 340 HD13 ILE 899 HD13 ILE 899 -8.456 -2.380 -0.150 341 H MET 900 H MET 900 -13.480 -2.854 -2.965 342 HA MET 900 HA MET 900 -14.668 -1.134 -4.977 343 HB2 MET 900 HB2 MET 900 -16.671 -2.602 -4.705 344 HB3 MET 900 HB1 MET 900 -15.217 -3.464 -5.179 345 HG2 MET 900 HG2 MET 900 -14.903 -4.242 -2.907 346 HG3 MET 900 HG1 MET 900 -16.316 -3.329 -2.375 347 HE1 MET 900 HE1 MET 900 -19.219 -5.217 -4.125 348 HE2 MET 900 HE2 MET 900 -18.366 -3.802 -4.736 349 HE3 MET 900 HE3 MET 900 -18.764 -3.920 -3.022 350 H ALA 901 H ALA 901 -14.442 -1.358 -1.582 351 HA ALA 901 HA ALA 901 -15.701 1.101 -1.114 352 HB1 ALA 901 HB1 ALA 901 -17.485 0.253 0.401 353 HB2 ALA 901 HB2 ALA 901 -17.140 -1.391 -0.144 354 HB3 ALA 901 HB3 ALA 901 -17.778 -0.199 -1.277 355 H ALA 902 H ALA 902 -15.242 1.738 1.028 356 HA ALA 902 HA ALA 902 -12.861 1.053 2.075 357 HB1 ALA 902 HB1 ALA 902 -15.260 2.029 3.632 358 HB2 ALA 902 HB2 ALA 902 -14.115 3.038 2.748 359 HB3 ALA 902 HB3 ALA 902 -13.585 2.132 4.164 360 HA PRO 903 HA PRO 903 -13.736 -3.146 3.408 361 HB2 PRO 903 HB2 PRO 903 -11.253 -3.495 4.585 362 HB3 PRO 903 HB1 PRO 903 -11.638 -3.857 2.898 363 HG2 PRO 903 HG2 PRO 903 -10.264 -1.496 4.074 364 HG3 PRO 903 HG1 PRO 903 -10.020 -2.269 2.501 365 HD2 PRO 903 HD2 PRO 903 -11.355 0.079 2.803 366 HD3 PRO 903 HD1 PRO 903 -11.752 -1.052 1.517 367 HA PRO 904 HA PRO 904 -15.105 -2.409 7.494 368 HB2 PRO 904 HB2 PRO 904 -15.194 -5.038 8.332 369 HB3 PRO 904 HB1 PRO 904 -16.475 -4.227 7.421 370 HG2 PRO 904 HG2 PRO 904 -14.304 -6.048 6.470 371 HG3 PRO 904 HG1 PRO 904 -15.995 -5.954 5.941 372 HD2 PRO 904 HD2 PRO 904 -13.996 -4.908 4.496 373 HD3 PRO 904 HD1 PRO 904 -15.587 -4.124 4.574 374 H GLU 905 H GLU 905 -14.123 -1.960 9.307 375 HA GLU 905 HA GLU 905 -11.378 -2.322 9.745 376 HB2 GLU 905 HB2 GLU 905 -11.759 -1.367 11.933 377 HB3 GLU 905 HB1 GLU 905 -12.689 -0.496 10.718 378 HG2 GLU 905 HG2 GLU 905 -14.688 -1.768 11.381 379 HG3 GLU 905 HG1 GLU 905 -13.737 -2.575 12.620 380 H GLU 906 H GLU 906 -14.033 -4.361 10.501 381 HA GLU 906 HA GLU 906 -12.752 -5.877 12.546 382 HB2 GLU 906 HB2 GLU 906 -14.629 -7.473 12.262 383 HB3 GLU 906 HB1 GLU 906 -15.168 -5.821 12.501 384 HG2 GLU 906 HG2 GLU 906 -15.745 -5.581 10.221 385 HG3 GLU 906 HG1 GLU 906 -14.959 -7.104 9.786 386 H MET 907 H MET 907 -12.027 -5.610 9.395 387 HA MET 907 HA MET 907 -10.859 -8.292 9.298 388 HB2 MET 907 HB2 MET 907 -12.635 -7.953 7.564 389 HB3 MET 907 HB1 MET 907 -11.758 -6.545 6.985 390 HG2 MET 907 HG2 MET 907 -9.842 -8.004 6.434 391 HG3 MET 907 HG1 MET 907 -10.798 -9.392 6.943 392 HE1 MET 907 HE1 MET 907 -11.955 -6.176 4.888 393 HE2 MET 907 HE2 MET 907 -11.727 -6.765 3.246 394 HE3 MET 907 HE3 MET 907 -10.331 -6.546 4.303 395 H GLN 908 H GLN 908 -8.656 -8.265 8.796 396 HA GLN 908 HA GLN 908 -7.365 -5.681 8.975 397 HB2 GLN 908 HB2 GLN 908 -6.205 -8.454 8.665 398 HB3 GLN 908 HB1 GLN 908 -5.274 -6.998 8.960 399 HG2 GLN 908 HG2 GLN 908 -7.332 -8.137 10.839 400 HG3 GLN 908 HG1 GLN 908 -5.587 -8.330 10.999 401 HE21 GLN 908 HE21 GLN 908 -4.931 -5.620 10.192 402 HE22 GLN 908 HE22 GLN 908 -5.442 -4.602 11.486 403 H TRP 909 H TRP 909 -6.088 -4.833 7.281 404 HA TRP 909 HA TRP 909 -6.702 -6.111 4.735 405 HD1 TRP 909 HD TRP 909 -8.653 -4.861 2.628 406 HE1 TRP 909 HE1 TRP 909 -7.786 -4.354 0.252 407 HE3 TRP 909 HE3 TRP 909 -4.326 -2.467 3.834 408 HZ2 TRP 909 HZ2 TRP 909 -5.594 -3.079 -0.920 409 HZ3 TRP 909 HZ3 TRP 909 -2.888 -1.624 2.011 410 HH2 TRP 909 HH TRP 909 -3.514 -1.934 -0.317 411 HB2 TRP 909 HB2 TRP 909 -7.936 -3.966 5.044 412 HB3 TRP 909 HB1 TRP 909 -6.387 -3.131 5.168 413 H PHE 910 H PHE 910 -5.090 -6.637 3.499 414 HA PHE 910 HA PHE 910 -2.492 -5.382 3.940 415 HD1 PHE 910 HD2 PHE 910 -0.977 -6.237 5.872 416 HD2 PHE 910 HD1 PHE 910 -3.946 -9.256 5.406 417 HE1 PHE 910 HE2 PHE 910 -1.074 -6.524 8.318 418 HE2 PHE 910 HE1 PHE 910 -4.043 -9.542 7.837 419 HZ PHE 910 HZ PHE 910 -2.610 -8.178 9.298 420 HB2 PHE 910 HB2 PHE 910 -2.940 -8.354 3.523 421 HB3 PHE 910 HB1 PHE 910 -1.377 -7.558 3.668 422 H CYS 911 H CYS 911 -1.252 -5.201 2.091 423 HA CYS 911 HA CYS 911 -2.712 -4.949 -0.346 424 HB2 CYS 911 HB2 CYS 911 -0.505 -4.148 -1.115 425 HB3 CYS 911 HB1 CYS 911 -1.077 -3.344 0.340 426 HA PRO 912 HA PRO 912 -1.687 -8.751 -2.519 427 HB2 PRO 912 HB2 PRO 912 -0.248 -7.696 -4.701 428 HB3 PRO 912 HB1 PRO 912 -1.998 -7.933 -4.634 429 HG2 PRO 912 HG2 PRO 912 -0.400 -5.461 -4.072 430 HG3 PRO 912 HG1 PRO 912 -1.945 -5.586 -4.928 431 HD2 PRO 912 HD2 PRO 912 -1.911 -4.718 -2.462 432 HD3 PRO 912 HD1 PRO 912 -3.140 -5.902 -2.940 433 H LYS 913 H LYS 913 0.787 -6.454 -1.747 434 HA LYS 913 HA LYS 913 3.007 -8.199 -2.277 435 HB2 LYS 913 HB2 LYS 913 2.817 -5.505 -0.909 436 HB3 LYS 913 HB1 LYS 913 4.319 -6.386 -1.155 437 HG2 LYS 913 HG2 LYS 913 2.517 -5.634 -3.423 438 HG3 LYS 913 HG1 LYS 913 3.734 -4.526 -2.797 439 HD2 LYS 913 HD2 LYS 913 5.474 -6.194 -3.256 440 HD3 LYS 913 HD1 LYS 913 4.254 -7.307 -3.873 441 HE2 LYS 913 HE2 LYS 913 4.759 -4.567 -4.982 442 HE3 LYS 913 HE1 LYS 913 5.516 -6.024 -5.630 443 HZ1 LYS 913 HZ1 LYS 913 2.570 -5.477 -5.568 444 HZ2 LYS 913 HZ2 LYS 913 3.306 -6.872 -6.128 445 HZ3 LYS 913 HZ3 LYS 913 3.575 -5.441 -6.923 446 H CYS 914 H CYS 914 1.531 -6.827 0.698 447 HA CYS 914 HA CYS 914 3.115 -8.603 2.273 448 HB2 CYS 914 HB2 CYS 914 0.971 -6.641 3.037 449 HB3 CYS 914 HB1 CYS 914 1.805 -7.656 4.206 450 H ALA 915 H ALA 915 -0.070 -8.756 0.956 451 HA ALA 915 HA ALA 915 -1.229 -10.568 2.729 452 HB1 ALA 915 HB1 ALA 915 -2.817 -11.103 0.970 453 HB2 ALA 915 HB2 ALA 915 -1.765 -10.337 -0.227 454 HB3 ALA 915 HB3 ALA 915 -2.516 -9.368 1.039 455 H ASN 916 H ASN 916 0.982 -11.156 0.095 456 HA ASN 916 HA ASN 916 0.683 -14.008 0.188 457 HB2 ASN 916 HB2 ASN 916 1.590 -12.912 -1.824 458 HB3 ASN 916 HB1 ASN 916 2.963 -12.339 -0.886 459 HD21 ASN 916 HD21 ASN 916 1.390 -15.155 -2.090 460 HD22 ASN 916 HD22 ASN 916 2.769 -16.211 -2.080 461 H LYS 917 H LYS 917 2.657 -11.692 1.695 462 HA LYS 917 HA LYS 917 4.577 -13.436 2.912 463 HB2 LYS 917 HB2 LYS 917 3.800 -10.639 3.738 464 HB3 LYS 917 HB1 LYS 917 5.272 -11.484 4.177 465 HG2 LYS 917 HG2 LYS 917 6.018 -11.446 1.869 466 HG3 LYS 917 HG1 LYS 917 4.512 -10.663 1.375 467 HD2 LYS 917 HD2 LYS 917 5.045 -8.776 2.861 468 HD3 LYS 917 HD1 LYS 917 6.567 -9.560 3.275 469 HE2 LYS 917 HE2 LYS 917 7.254 -9.401 0.917 470 HE3 LYS 917 HE1 LYS 917 5.726 -8.608 0.544 471 HZ1 LYS 917 HZ1 LYS 917 7.674 -7.547 2.506 472 HZ2 LYS 917 HZ2 LYS 917 6.301 -6.762 1.900 473 HZ3 LYS 917 HZ3 LYS 917 7.604 -7.040 0.905 474 H ILE 918 H ILE 918 1.350 -12.592 3.653 475 HA ILE 918 HA ILE 918 1.299 -12.840 6.430 476 HB ILE 918 HB ILE 918 -0.834 -13.319 4.346 477 HG12 ILE 918 HG12 ILE 918 0.030 -11.065 4.381 478 HG13 ILE 918 HG11 ILE 918 -1.626 -11.093 4.971 479 HG21 ILE 918 HG21 ILE 918 -2.504 -13.080 6.127 480 HG22 ILE 918 HG22 ILE 918 -1.201 -13.059 7.324 481 HG23 ILE 918 HG23 ILE 918 -1.479 -14.503 6.348 482 HD11 ILE 918 HD11 ILE 918 -0.735 -10.957 7.282 483 HD12 ILE 918 HD12 ILE 918 -0.305 -9.573 6.281 484 HD13 ILE 918 HD13 ILE 918 0.895 -10.818 6.614 485 H LYS 919 H LYS 919 1.540 -15.263 3.921 486 HA LYS 919 HA LYS 919 1.505 -17.414 3.768 487 HB2 LYS 919 HB2 LYS 919 2.908 -18.545 5.147 488 HB3 LYS 919 HB1 LYS 919 3.493 -16.916 5.251 489 HG2 LYS 919 HG2 LYS 919 2.345 -16.587 7.381 490 HG3 LYS 919 HG1 LYS 919 1.770 -18.250 7.307 491 HD2 LYS 919 HD2 LYS 919 4.110 -19.035 7.402 492 HD3 LYS 919 HD1 LYS 919 4.650 -17.354 7.539 493 HE2 LYS 919 HE2 LYS 919 3.332 -17.109 9.590 494 HE3 LYS 919 HE1 LYS 919 2.815 -18.779 9.460 495 HZ1 LYS 919 HZ1 LYS 919 5.605 -17.846 9.875 496 HZ2 LYS 919 HZ2 LYS 919 5.151 -19.446 9.662 497 HZ3 LYS 919 HZ3 LYS 919 4.614 -18.607 11.012 498 H LYS 920 H LYS 920 -0.908 -16.342 4.431 499 HA LYS 920 HA LYS 920 -2.998 -16.876 4.864 500 HB2 LYS 920 HB2 LYS 920 -2.570 -19.143 4.079 501 HB3 LYS 920 HB1 LYS 920 -1.894 -19.591 5.625 502 HG2 LYS 920 HG2 LYS 920 -4.055 -19.541 6.656 503 HG3 LYS 920 HG1 LYS 920 -4.778 -18.833 5.208 504 HD2 LYS 920 HD2 LYS 920 -4.245 -20.825 3.923 505 HD3 LYS 920 HD1 LYS 920 -3.417 -21.519 5.309 506 HE2 LYS 920 HE2 LYS 920 -6.350 -20.832 5.307 507 HE3 LYS 920 HE1 LYS 920 -5.727 -22.410 4.835 508 HZ1 LYS 920 HZ1 LYS 920 -5.381 -21.128 7.497 509 HZ2 LYS 920 HZ2 LYS 920 -4.703 -22.580 7.025 510 HZ3 LYS 920 HZ3 LYS 920 -6.387 -22.445 7.134 511 H ASP 921 H ASP 921 -1.027 -18.212 7.469 512 HA ASP 921 HA ASP 921 -0.889 -17.797 9.690 513 HB2 ASP 921 HB2 ASP 921 -0.489 -15.499 9.137 514 HB3 ASP 921 HB1 ASP 921 -2.209 -15.199 8.927 515 H LYS 922 H LYS 922 -4.120 -16.987 8.608 516 HA LYS 922 HA LYS 922 -5.287 -17.782 11.108 517 HB2 LYS 922 HB2 LYS 922 -6.519 -17.048 8.448 518 HB3 LYS 922 HB1 LYS 922 -7.494 -17.637 9.772 519 HG2 LYS 922 HG2 LYS 922 -7.680 -15.272 9.783 520 HG3 LYS 922 HG1 LYS 922 -6.640 -15.694 11.135 521 HD2 LYS 922 HD2 LYS 922 -5.684 -13.789 10.067 522 HD3 LYS 922 HD1 LYS 922 -4.679 -15.175 9.662 523 HE2 LYS 922 HE2 LYS 922 -5.788 -15.350 7.480 524 HE3 LYS 922 HE1 LYS 922 -6.803 -13.966 7.886 525 HZ1 LYS 922 HZ1 LYS 922 -3.849 -13.920 7.691 526 HZ2 LYS 922 HZ2 LYS 922 -4.825 -12.602 8.016 527 HZ3 LYS 922 HZ3 LYS 922 -4.898 -13.348 6.503 528 H LYS 923 H LYS 923 -5.699 -19.733 11.698 529 HA LYS 923 HA LYS 923 -4.994 -21.990 10.208 530 HB2 LYS 923 HB2 LYS 923 -4.811 -22.124 12.558 531 HB3 LYS 923 HB1 LYS 923 -6.482 -21.638 12.776 532 HG2 LYS 923 HG2 LYS 923 -7.264 -23.749 12.020 533 HG3 LYS 923 HG1 LYS 923 -5.643 -24.254 11.554 534 HD2 LYS 923 HD2 LYS 923 -6.205 -25.326 13.649 535 HD3 LYS 923 HD1 LYS 923 -4.965 -24.124 13.959 536 HE2 LYS 923 HE2 LYS 923 -7.923 -23.672 14.448 537 HE3 LYS 923 HE1 LYS 923 -6.815 -24.268 15.675 538 HZ1 LYS 923 HZ1 LYS 923 -5.553 -22.126 15.343 539 HZ2 LYS 923 HZ2 LYS 923 -7.062 -22.005 16.037 540 HZ3 LYS 923 HZ3 LYS 923 -6.875 -21.550 14.444 541 H HIS 924 H HIS 924 -7.935 -20.628 10.807 542 HA HIS 924 HA HIS 924 -9.219 -22.525 8.956 543 HD1 HIS 924 HD1 HIS 924 -10.497 -21.834 13.178 544 HD2 HIS 924 HD2 HIS 924 -10.805 -24.523 10.040 545 HE1 HIS 924 HE1 HIS 924 -10.706 -24.102 14.255 546 HE2 HIS 924 HE2 HIS 924 -10.614 -25.701 12.316 547 HB2 HIS 924 HB2 HIS 924 -10.472 -20.719 11.032 548 HB3 HIS 924 HB1 HIS 924 -11.427 -21.548 9.800 Start of MODEL 18 1 H1 GLY 850 HT1 GLY 850 14.941 6.991 6.939 2 H2 GLY 850 HT2 GLY 850 15.239 8.634 6.850 3 H3 GLY 850 HT3 GLY 850 16.153 7.685 7.892 4 HA2 GLY 850 HA1 GLY 850 16.164 7.581 4.936 5 HA3 GLY 850 HA2 GLY 850 17.448 8.218 5.959 6 H SER 851 H SER 851 18.949 6.861 6.743 7 HA SER 851 HA SER 851 20.197 5.028 7.106 8 HG SER 851 HG SER 851 19.116 4.994 9.219 9 HB2 SER 851 HB2 SER 851 17.528 3.611 7.315 10 HB3 SER 851 HB1 SER 851 19.062 3.032 7.966 11 H HIS 852 H HIS 852 19.013 5.627 4.340 12 HA HIS 852 HA HIS 852 19.219 4.956 2.221 13 HD2 HIS 852 HD2 HIS 852 22.215 5.098 4.792 14 HE1 HIS 852 HE1 HIS 852 24.227 6.427 1.313 15 HE2 HIS 852 HE2 HIS 852 23.786 6.884 3.740 16 HB2 HIS 852 HB2 HIS 852 21.083 2.828 3.332 17 HB3 HIS 852 HB1 HIS 852 20.861 3.164 1.623 18 H MET 853 H MET 853 17.068 4.466 2.070 19 HA MET 853 HA MET 853 16.055 1.910 2.816 20 HB2 MET 853 HB2 MET 853 14.647 3.947 2.820 21 HB3 MET 853 HB1 MET 853 14.790 4.034 1.070 22 HG2 MET 853 HG2 MET 853 13.577 1.940 0.843 23 HG3 MET 853 HG1 MET 853 13.500 1.778 2.594 24 HE1 MET 853 HE1 MET 853 13.003 5.120 0.489 25 HE2 MET 853 HE2 MET 853 11.259 5.094 0.246 26 HE3 MET 853 HE3 MET 853 12.273 3.876 -0.526 27 H ALA 854 H ALA 854 17.417 3.217 0.010 28 HA ALA 854 HA ALA 854 18.113 2.374 -2.004 29 HB1 ALA 854 HB1 ALA 854 18.729 -0.001 -2.104 30 HB2 ALA 854 HB2 ALA 854 17.814 -0.304 -0.624 31 HB3 ALA 854 HB3 ALA 854 19.248 0.719 -0.579 32 H MET 855 H MET 855 15.424 2.991 -1.761 33 HA MET 855 HA MET 855 14.243 1.522 -3.897 34 HB2 MET 855 HB2 MET 855 12.937 1.738 -1.152 35 HB3 MET 855 HB1 MET 855 12.070 1.342 -2.623 36 HG2 MET 855 HG2 MET 855 13.312 -0.732 -2.828 37 HG3 MET 855 HG1 MET 855 14.285 -0.302 -1.427 38 HE1 MET 855 HE1 MET 855 10.391 0.351 -1.769 39 HE2 MET 855 HE2 MET 855 9.746 -1.171 -1.160 40 HE3 MET 855 HE3 MET 855 10.638 -1.138 -2.679 41 H ALA 856 H ALA 856 12.430 2.894 -4.665 42 HA ALA 856 HA ALA 856 12.832 5.607 -3.650 43 HB1 ALA 856 HB1 ALA 856 12.104 4.852 -6.448 44 HB2 ALA 856 HB2 ALA 856 13.741 5.166 -5.867 45 HB3 ALA 856 HB3 ALA 856 12.535 6.465 -5.830 46 H TYR 857 H TYR 857 10.396 5.295 -5.871 47 HA TYR 857 HA TYR 857 8.247 5.569 -5.784 48 HD1 TYR 857 HD1 TYR 857 6.230 3.386 -5.781 49 HD2 TYR 857 HD2 TYR 857 9.798 2.517 -3.707 50 HE1 TYR 857 HE1 TYR 857 6.294 1.212 -6.882 51 HE2 TYR 857 HE2 TYR 857 9.917 0.312 -4.792 52 HH TYR 857 HH TYR 857 8.288 -1.281 -5.841 53 HB2 TYR 857 HB2 TYR 857 8.446 4.333 -3.043 54 HB3 TYR 857 HB1 TYR 857 6.907 4.674 -3.820 55 H VAL 858 H VAL 858 10.056 7.546 -4.901 56 HA VAL 858 HA VAL 858 8.355 9.183 -3.124 57 HB VAL 858 HB VAL 858 11.376 9.373 -3.287 58 HG11 VAL 858 HG11 VAL 858 10.330 11.498 -2.740 59 HG12 VAL 858 HG12 VAL 858 11.191 10.861 -1.344 60 HG13 VAL 858 HG13 VAL 858 9.439 10.748 -1.419 61 HG21 VAL 858 HG21 VAL 858 9.689 8.217 -1.071 62 HG22 VAL 858 HG22 VAL 858 11.434 8.446 -1.018 63 HG23 VAL 858 HG23 VAL 858 10.727 7.303 -2.165 64 H ILE 859 H ILE 859 7.514 10.821 -4.037 65 HA ILE 859 HA ILE 859 9.086 12.350 -5.989 66 HB ILE 859 HB ILE 859 6.047 12.079 -5.980 67 HG12 ILE 859 HG12 ILE 859 8.056 10.869 -7.886 68 HG13 ILE 859 HG11 ILE 859 7.115 9.995 -6.679 69 HG21 ILE 859 HG21 ILE 859 6.826 14.233 -6.817 70 HG22 ILE 859 HG22 ILE 859 6.139 13.272 -8.124 71 HG23 ILE 859 HG23 ILE 859 7.889 13.418 -7.968 72 HD11 ILE 859 HD11 ILE 859 5.997 11.499 -9.049 73 HD12 ILE 859 HD12 ILE 859 5.058 10.577 -7.875 74 HD13 ILE 859 HD13 ILE 859 6.188 9.750 -8.950 75 H ARG 860 H ARG 860 9.122 14.538 -5.495 76 HA ARG 860 HA ARG 860 7.680 15.163 -3.082 77 HE ARG 860 HE ARG 860 11.142 15.393 0.100 78 HB2 ARG 860 HB2 ARG 860 10.166 16.352 -4.205 79 HB3 ARG 860 HB1 ARG 860 9.158 17.305 -3.119 80 HG2 ARG 860 HG2 ARG 860 9.345 15.540 -1.431 81 HG3 ARG 860 HG1 ARG 860 10.409 14.638 -2.511 82 HD2 ARG 860 HD2 ARG 860 12.029 16.420 -2.464 83 HD3 ARG 860 HD1 ARG 860 10.936 17.431 -1.518 84 HH11 ARG 860 HH11 ARG 860 13.736 16.961 -1.745 85 HH12 ARG 860 HH12 ARG 860 14.948 16.634 -0.602 86 HH21 ARG 860 HH21 ARG 860 12.823 14.962 1.692 87 HH22 ARG 860 HH22 ARG 860 14.417 15.463 1.402 88 H ASP 861 H ASP 861 6.069 16.178 -3.041 89 HA ASP 861 HA ASP 861 4.702 17.430 -5.144 90 HB2 ASP 861 HB2 ASP 861 3.556 16.499 -3.246 91 HB3 ASP 861 HB1 ASP 861 4.521 17.516 -2.169 92 H GLU 862 H GLU 862 3.939 19.713 -4.743 93 HA GLU 862 HA GLU 862 6.061 21.482 -5.296 94 HB2 GLU 862 HB2 GLU 862 3.235 22.193 -4.523 95 HB3 GLU 862 HB1 GLU 862 4.377 23.222 -5.373 96 HG2 GLU 862 HG2 GLU 862 3.215 20.650 -6.401 97 HG3 GLU 862 HG1 GLU 862 2.734 22.272 -6.899 98 H TRP 863 H TRP 863 4.316 20.707 -2.378 99 HA TRP 863 HA TRP 863 5.654 22.858 -0.989 100 HD1 TRP 863 HD TRP 863 1.531 21.323 -1.445 101 HE1 TRP 863 HE1 TRP 863 0.314 23.367 -2.431 102 HE3 TRP 863 HE3 TRP 863 4.765 24.944 -0.009 103 HZ2 TRP 863 HZ2 TRP 863 0.676 26.152 -2.579 104 HZ3 TRP 863 HZ3 TRP 863 4.276 27.291 -0.608 105 HH2 TRP 863 HH TRP 863 2.269 27.872 -1.873 106 HB2 TRP 863 HB2 TRP 863 3.562 20.942 0.023 107 HB3 TRP 863 HB1 TRP 863 4.171 22.362 0.875 108 H GLY 864 H GLY 864 6.696 20.046 -1.943 109 HA2 GLY 864 HA2 GLY 864 8.624 18.970 -1.269 110 HA3 GLY 864 HA1 GLY 864 8.496 19.734 0.303 111 H ASN 865 H ASN 865 5.559 18.453 -0.405 112 HA ASN 865 HA ASN 865 5.727 16.423 1.579 113 HB2 ASN 865 HB2 ASN 865 3.587 16.684 -0.576 114 HB3 ASN 865 HB1 ASN 865 3.479 15.711 0.874 115 HD21 ASN 865 HD21 ASN 865 3.021 18.865 -0.515 116 HD22 ASN 865 HD22 ASN 865 2.495 19.593 0.949 117 H GLN 866 H GLN 866 6.109 14.239 1.382 118 HA GLN 866 HA GLN 866 7.034 13.400 -1.203 119 HB2 GLN 866 HB2 GLN 866 7.054 11.985 1.456 120 HB3 GLN 866 HB1 GLN 866 7.483 11.189 -0.041 121 HG2 GLN 866 HG2 GLN 866 9.488 11.800 0.891 122 HG3 GLN 866 HG1 GLN 866 9.210 12.960 -0.376 123 HE21 GLN 866 HE21 GLN 866 7.627 13.081 2.732 124 HE22 GLN 866 HE22 GLN 866 8.344 14.556 3.267 125 H ILE 867 H ILE 867 6.041 12.316 -2.505 126 HA ILE 867 HA ILE 867 3.255 11.647 -1.978 127 HB ILE 867 HB ILE 867 4.768 11.587 -4.590 128 HG12 ILE 867 HG12 ILE 867 4.534 13.888 -3.696 129 HG13 ILE 867 HG11 ILE 867 3.582 13.658 -5.155 130 HG21 ILE 867 HG21 ILE 867 2.578 11.378 -5.637 131 HG22 ILE 867 HG22 ILE 867 1.819 11.403 -4.038 132 HG23 ILE 867 HG23 ILE 867 2.847 10.050 -4.491 133 HD11 ILE 867 HD11 ILE 867 2.318 14.932 -3.562 134 HD12 ILE 867 HD12 ILE 867 2.570 13.697 -2.325 135 HD13 ILE 867 HD13 ILE 867 1.592 13.332 -3.751 136 H TRP 868 H TRP 868 2.602 9.713 -1.691 137 HA TRP 868 HA TRP 868 4.363 7.488 -1.732 138 HD1 TRP 868 HD TRP 868 -0.191 6.758 -2.079 139 HE1 TRP 868 HE1 TRP 868 -2.000 8.477 -1.571 140 HE3 TRP 868 HE3 TRP 868 2.557 9.967 0.758 141 HZ2 TRP 868 HZ2 TRP 868 -2.248 10.929 -0.126 142 HZ3 TRP 868 HZ3 TRP 868 1.470 11.977 1.673 143 HH2 TRP 868 HH TRP 868 -0.886 12.441 1.230 144 HB2 TRP 868 HB2 TRP 868 2.152 6.313 -1.242 145 HB3 TRP 868 HB1 TRP 868 2.831 7.316 0.047 146 H ILE 869 H ILE 869 4.199 5.675 -3.005 147 HA ILE 869 HA ILE 869 2.600 5.895 -5.443 148 HB ILE 869 HB ILE 869 5.543 5.197 -5.291 149 HG12 ILE 869 HG12 ILE 869 4.071 7.401 -6.727 150 HG13 ILE 869 HG11 ILE 869 5.122 7.593 -5.328 151 HG21 ILE 869 HG21 ILE 869 4.407 3.670 -6.839 152 HG22 ILE 869 HG22 ILE 869 5.470 4.778 -7.702 153 HG23 ILE 869 HG23 ILE 869 3.726 5.048 -7.699 154 HD11 ILE 869 HD11 ILE 869 6.174 8.300 -7.378 155 HD12 ILE 869 HD12 ILE 869 5.944 6.699 -8.080 156 HD13 ILE 869 HD13 ILE 869 7.031 6.919 -6.697 157 H CYS 870 H CYS 870 1.519 4.173 -5.941 158 HA CYS 870 HA CYS 870 1.425 1.873 -4.337 159 HB2 CYS 870 HB2 CYS 870 -0.534 2.882 -5.350 160 HB3 CYS 870 HB1 CYS 870 0.172 2.752 -6.944 161 HA PRO 871 HA PRO 871 4.668 -0.099 -6.846 162 HB2 PRO 871 HB2 PRO 871 4.134 -2.420 -5.131 163 HB3 PRO 871 HB1 PRO 871 5.630 -1.517 -5.349 164 HG2 PRO 871 HG2 PRO 871 4.172 -1.386 -3.072 165 HG3 PRO 871 HG1 PRO 871 5.145 -0.038 -3.681 166 HD2 PRO 871 HD2 PRO 871 2.178 -0.420 -3.800 167 HD3 PRO 871 HD1 PRO 871 3.140 1.052 -3.575 168 H GLY 872 H GLY 872 1.378 -0.683 -6.680 169 HA2 GLY 872 HA2 GLY 872 1.315 -3.201 -8.042 170 HA3 GLY 872 HA1 GLY 872 -0.038 -2.103 -7.802 171 H CYS 873 H CYS 873 0.820 0.180 -9.007 172 HA CYS 873 HA CYS 873 0.895 -0.618 -11.841 173 HB2 CYS 873 HB2 CYS 873 -0.211 1.630 -12.028 174 HB3 CYS 873 HB1 CYS 873 -1.135 0.371 -11.190 175 H ASN 874 H ASN 874 2.438 1.132 -9.326 176 HA ASN 874 HA ASN 874 4.333 2.260 -9.113 177 HB2 ASN 874 HB2 ASN 874 5.256 0.915 -11.087 178 HB3 ASN 874 HB1 ASN 874 4.724 2.214 -12.139 179 HD21 ASN 874 HD21 ASN 874 5.992 4.038 -12.304 180 HD22 ASN 874 HD22 ASN 874 7.500 4.245 -11.515 181 H LYS 875 H LYS 875 1.594 3.236 -9.770 182 HA LYS 875 HA LYS 875 2.232 5.956 -10.588 183 HB2 LYS 875 HB2 LYS 875 -0.419 4.599 -10.132 184 HB3 LYS 875 HB1 LYS 875 -0.204 6.336 -10.351 185 HG2 LYS 875 HG2 LYS 875 0.594 6.025 -12.578 186 HG3 LYS 875 HG1 LYS 875 0.618 4.270 -12.377 187 HD2 LYS 875 HD2 LYS 875 -1.359 5.014 -13.643 188 HD3 LYS 875 HD1 LYS 875 -1.796 4.233 -12.129 189 HE2 LYS 875 HE2 LYS 875 -3.202 6.179 -12.468 190 HE3 LYS 875 HE1 LYS 875 -2.142 6.463 -11.101 191 HZ1 LYS 875 HZ1 LYS 875 -0.728 7.841 -12.559 192 HZ2 LYS 875 HZ2 LYS 875 -2.300 8.412 -12.521 193 HZ3 LYS 875 HZ3 LYS 875 -1.761 7.519 -13.851 194 HA PRO 876 HA PRO 876 2.061 7.476 -6.369 195 HB2 PRO 876 HB2 PRO 876 1.804 10.084 -7.060 196 HB3 PRO 876 HB1 PRO 876 3.365 9.273 -7.092 197 HG2 PRO 876 HG2 PRO 876 1.503 9.953 -9.311 198 HG3 PRO 876 HG1 PRO 876 3.275 9.951 -9.296 199 HD2 PRO 876 HD2 PRO 876 1.775 7.979 -10.428 200 HD3 PRO 876 HD1 PRO 876 3.388 7.701 -9.773 201 H ASP 877 H ASP 877 0.569 8.921 -5.158 202 HA ASP 877 HA ASP 877 -2.135 8.456 -5.707 203 HB2 ASP 877 HB2 ASP 877 -1.533 9.122 -3.464 204 HB3 ASP 877 HB1 ASP 877 -0.897 10.657 -4.042 205 H ASP 878 H ASP 878 -3.405 9.250 -7.121 206 HA ASP 878 HA ASP 878 -2.486 11.499 -8.804 207 HB2 ASP 878 HB2 ASP 878 -3.015 9.017 -9.589 208 HB3 ASP 878 HB1 ASP 878 -4.684 9.543 -9.476 209 H GLY 879 H GLY 879 -3.882 11.600 -6.138 210 HA2 GLY 879 HA2 GLY 879 -5.627 12.738 -5.156 211 HA3 GLY 879 HA1 GLY 879 -6.201 13.195 -6.773 212 H SER 880 H SER 880 -5.559 10.210 -5.052 213 HA SER 880 HA SER 880 -7.957 9.099 -6.310 214 HG SER 880 HG SER 880 -4.708 8.574 -5.293 215 HB2 SER 880 HB2 SER 880 -6.470 7.031 -6.533 216 HB3 SER 880 HB1 SER 880 -6.187 8.380 -7.636 217 HA PRO 881 HA PRO 881 -8.662 7.216 -2.328 218 HB2 PRO 881 HB2 PRO 881 -10.114 5.028 -3.026 219 HB3 PRO 881 HB1 PRO 881 -10.790 6.658 -3.073 220 HG2 PRO 881 HG2 PRO 881 -9.814 4.948 -5.303 221 HG3 PRO 881 HG1 PRO 881 -11.154 6.104 -5.274 222 HD2 PRO 881 HD2 PRO 881 -8.647 6.594 -6.346 223 HD3 PRO 881 HD1 PRO 881 -9.796 7.846 -5.854 224 H MET 882 H MET 882 -6.857 6.445 -1.462 225 HA MET 882 HA MET 882 -5.822 3.949 -2.550 226 HB2 MET 882 HB2 MET 882 -4.245 6.150 -1.194 227 HB3 MET 882 HB1 MET 882 -3.589 4.612 -1.747 228 HG2 MET 882 HG2 MET 882 -4.287 5.212 -4.052 229 HG3 MET 882 HG1 MET 882 -4.775 6.787 -3.449 230 HE1 MET 882 HE1 MET 882 -1.797 4.390 -4.324 231 HE2 MET 882 HE2 MET 882 -1.594 4.550 -2.580 232 HE3 MET 882 HE3 MET 882 -0.414 5.267 -3.668 233 H ILE 883 H ILE 883 -4.638 2.675 -0.916 234 HA ILE 883 HA ILE 883 -5.853 2.979 1.695 235 HB ILE 883 HB ILE 883 -7.251 1.369 0.460 236 HG12 ILE 883 HG12 ILE 883 -5.521 -0.170 2.388 237 HG13 ILE 883 HG11 ILE 883 -6.681 1.046 2.903 238 HG21 ILE 883 HG21 ILE 883 -5.742 0.657 -1.245 239 HG22 ILE 883 HG22 ILE 883 -6.402 -0.728 -0.389 240 HG23 ILE 883 HG23 ILE 883 -4.756 -0.191 -0.058 241 HD11 ILE 883 HD11 ILE 883 -7.311 -1.460 1.381 242 HD12 ILE 883 HD12 ILE 883 -8.480 -0.243 1.900 243 HD13 ILE 883 HD13 ILE 883 -7.588 -1.180 3.099 244 H GLY 884 H GLY 884 -4.515 2.519 3.354 245 HA2 GLY 884 HA2 GLY 884 -1.758 1.920 2.635 246 HA3 GLY 884 HA1 GLY 884 -2.317 2.655 4.135 247 H CYS 885 H CYS 885 -0.598 0.434 3.871 248 HA CYS 885 HA CYS 885 -2.118 -1.937 4.470 249 HB2 CYS 885 HB2 CYS 885 0.031 -2.051 3.241 250 HB3 CYS 885 HB1 CYS 885 0.823 -1.344 4.641 251 H ASP 886 H ASP 886 -1.601 -3.129 6.427 252 HA ASP 886 HA ASP 886 -1.656 -1.395 8.781 253 HB2 ASP 886 HB2 ASP 886 -3.371 -3.160 8.678 254 HB3 ASP 886 HB1 ASP 886 -2.113 -4.385 8.552 255 H ASP 887 H ASP 887 0.305 -3.705 7.122 256 HA ASP 887 HA ASP 887 2.215 -3.883 9.335 257 HB2 ASP 887 HB2 ASP 887 1.686 -5.977 8.174 258 HB3 ASP 887 HB1 ASP 887 2.190 -5.271 6.644 259 H CYS 888 H CYS 888 1.867 -2.647 6.103 260 HA CYS 888 HA CYS 888 4.522 -1.440 6.261 261 HB2 CYS 888 HB2 CYS 888 2.573 -1.399 3.921 262 HB3 CYS 888 HB1 CYS 888 4.249 -0.903 3.917 263 H ASP 889 H ASP 889 4.581 0.862 5.526 264 HA ASP 889 HA ASP 889 2.288 2.359 6.613 265 HB2 ASP 889 HB2 ASP 889 3.844 4.213 6.990 266 HB3 ASP 889 HB1 ASP 889 4.500 2.762 7.733 267 H ASP 890 H ASP 890 3.029 1.109 3.946 268 HA ASP 890 HA ASP 890 3.253 3.438 2.207 269 HB2 ASP 890 HB2 ASP 890 4.536 1.073 2.112 270 HB3 ASP 890 HB1 ASP 890 3.162 0.713 1.073 271 H TRP 891 H TRP 891 1.966 2.923 -0.007 272 HA TRP 891 HA TRP 891 -0.821 2.413 0.779 273 HD1 TRP 891 HD TRP 891 1.422 5.418 1.841 274 HE1 TRP 891 HE1 TRP 891 0.408 6.634 3.879 275 HE3 TRP 891 HE3 TRP 891 -3.531 4.935 0.709 276 HZ2 TRP 891 HZ2 TRP 891 -2.137 7.316 4.854 277 HZ3 TRP 891 HZ3 TRP 891 -5.195 5.911 2.239 278 HH2 TRP 891 HH TRP 891 -4.505 7.076 4.272 279 HB2 TRP 891 HB2 TRP 891 0.187 4.889 -0.636 280 HB3 TRP 891 HB1 TRP 891 -1.501 4.432 -0.520 281 H TYR 892 H TYR 892 -2.030 1.492 -0.714 282 HA TYR 892 HA TYR 892 -1.050 1.195 -3.486 283 HD1 TYR 892 HD2 TYR 892 -0.041 -1.274 -0.943 284 HD2 TYR 892 HD1 TYR 892 -1.404 -1.673 -4.942 285 HE1 TYR 892 HE2 TYR 892 1.874 -2.733 -1.451 286 HE2 TYR 892 HE1 TYR 892 0.472 -3.128 -5.463 287 HH TYR 892 HH TYR 892 2.716 -3.578 -4.633 288 HB2 TYR 892 HB2 TYR 892 -2.377 -0.718 -1.618 289 HB3 TYR 892 HB1 TYR 892 -2.847 -0.788 -3.307 290 H HIS 893 H HIS 893 -2.796 1.204 -5.069 291 HA HIS 893 HA HIS 893 -4.934 3.042 -4.277 292 HD2 HIS 893 HD2 HIS 893 -4.972 5.572 -6.260 293 HE1 HIS 893 HE1 HIS 893 -1.052 5.036 -7.703 294 HE2 HIS 893 HE2 HIS 893 -2.713 6.687 -6.838 295 HB2 HIS 893 HB2 HIS 893 -4.351 1.802 -6.970 296 HB3 HIS 893 HB1 HIS 893 -5.691 2.888 -6.671 297 H TRP 894 H TRP 894 -7.138 2.626 -4.353 298 HA TRP 894 HA TRP 894 -8.030 0.158 -3.533 299 HD1 TRP 894 HD TRP 894 -7.734 1.619 -1.782 300 HE1 TRP 894 HE1 TRP 894 -8.868 2.544 0.360 301 HE3 TRP 894 HE3 TRP 894 -12.296 2.745 -3.711 302 HZ2 TRP 894 HZ2 TRP 894 -11.336 3.624 1.093 303 HZ3 TRP 894 HZ3 TRP 894 -13.999 3.728 -2.229 304 HH2 TRP 894 HH TRP 894 -13.515 4.144 0.122 305 HB2 TRP 894 HB2 TRP 894 -9.453 2.504 -4.727 306 HB3 TRP 894 HB1 TRP 894 -10.332 1.023 -4.383 307 HA PRO 895 HA PRO 895 -9.556 -0.953 -8.029 308 HB2 PRO 895 HB2 PRO 895 -8.149 0.201 -10.080 309 HB3 PRO 895 HB1 PRO 895 -9.698 0.801 -9.478 310 HG2 PRO 895 HG2 PRO 895 -6.930 1.712 -8.778 311 HG3 PRO 895 HG1 PRO 895 -8.354 2.692 -9.187 312 HD2 PRO 895 HD2 PRO 895 -7.647 2.370 -6.645 313 HD3 PRO 895 HD1 PRO 895 -9.358 2.304 -7.115 314 H CYS 896 H CYS 896 -6.284 -0.450 -7.024 315 HA CYS 896 HA CYS 896 -5.158 -2.367 -8.831 316 HB2 CYS 896 HB2 CYS 896 -4.080 -0.973 -6.395 317 HB3 CYS 896 HB1 CYS 896 -3.108 -1.955 -7.479 318 H VAL 897 H VAL 897 -6.576 -2.335 -5.697 319 HA VAL 897 HA VAL 897 -5.721 -5.096 -5.243 320 HB VAL 897 HB VAL 897 -6.064 -4.615 -2.780 321 HG11 VAL 897 HG11 VAL 897 -3.839 -4.624 -3.817 322 HG12 VAL 897 HG12 VAL 897 -3.927 -3.400 -2.549 323 HG13 VAL 897 HG13 VAL 897 -4.029 -2.927 -4.242 324 HG21 VAL 897 HG21 VAL 897 -6.099 -2.260 -2.078 325 HG22 VAL 897 HG22 VAL 897 -7.513 -2.634 -3.074 326 HG23 VAL 897 HG23 VAL 897 -6.137 -1.780 -3.774 327 H GLY 898 H GLY 898 -8.110 -3.666 -6.504 328 HA2 GLY 898 HA2 GLY 898 -10.202 -4.422 -7.037 329 HA3 GLY 898 HA1 GLY 898 -9.893 -5.779 -5.966 330 H ILE 899 H ILE 899 -9.862 -2.403 -4.997 331 HA ILE 899 HA ILE 899 -12.119 -3.057 -3.271 332 HB ILE 899 HB ILE 899 -9.900 -1.044 -2.887 333 HG12 ILE 899 HG12 ILE 899 -10.778 -3.479 -1.333 334 HG13 ILE 899 HG11 ILE 899 -9.349 -3.361 -2.348 335 HG21 ILE 899 HG21 ILE 899 -12.349 -1.436 -1.140 336 HG22 ILE 899 HG22 ILE 899 -12.005 -0.018 -2.122 337 HG23 ILE 899 HG23 ILE 899 -10.970 -0.405 -0.761 338 HD11 ILE 899 HD11 ILE 899 -8.800 -3.198 0.003 339 HD12 ILE 899 HD12 ILE 899 -9.900 -1.820 0.149 340 HD13 ILE 899 HD13 ILE 899 -8.442 -1.681 -0.837 341 H MET 900 H MET 900 -13.918 -2.094 -3.458 342 HA MET 900 HA MET 900 -14.204 0.054 -5.444 343 HB2 MET 900 HB2 MET 900 -16.284 -1.830 -4.326 344 HB3 MET 900 HB1 MET 900 -16.564 -0.612 -5.552 345 HG2 MET 900 HG2 MET 900 -14.798 -3.034 -5.836 346 HG3 MET 900 HG1 MET 900 -16.419 -2.854 -6.497 347 HE1 MET 900 HE1 MET 900 -14.319 -2.786 -9.742 348 HE2 MET 900 HE2 MET 900 -15.737 -3.444 -8.928 349 HE3 MET 900 HE3 MET 900 -14.121 -3.806 -8.318 350 H ALA 901 H ALA 901 -14.559 -0.739 -2.051 351 HA ALA 901 HA ALA 901 -15.472 1.910 -1.465 352 HB1 ALA 901 HB1 ALA 901 -17.389 1.137 -0.164 353 HB2 ALA 901 HB2 ALA 901 -17.099 -0.513 -0.699 354 HB3 ALA 901 HB3 ALA 901 -17.589 0.720 -1.868 355 H ALA 902 H ALA 902 -15.237 2.330 0.793 356 HA ALA 902 HA ALA 902 -12.912 1.517 1.855 357 HB1 ALA 902 HB1 ALA 902 -13.646 2.508 3.954 358 HB2 ALA 902 HB2 ALA 902 -15.306 2.546 3.352 359 HB3 ALA 902 HB3 ALA 902 -14.051 3.512 2.567 360 HA PRO 903 HA PRO 903 -13.933 -2.641 3.236 361 HB2 PRO 903 HB2 PRO 903 -11.440 -3.052 4.344 362 HB3 PRO 903 HB1 PRO 903 -11.846 -3.377 2.654 363 HG2 PRO 903 HG2 PRO 903 -10.474 -1.020 3.853 364 HG3 PRO 903 HG1 PRO 903 -10.158 -1.842 2.313 365 HD2 PRO 903 HD2 PRO 903 -11.472 0.493 2.423 366 HD3 PRO 903 HD1 PRO 903 -11.912 -0.717 1.232 367 HA PRO 904 HA PRO 904 -15.206 -2.107 7.377 368 HB2 PRO 904 HB2 PRO 904 -14.471 -4.631 8.337 369 HB3 PRO 904 HB1 PRO 904 -16.022 -4.227 7.585 370 HG2 PRO 904 HG2 PRO 904 -13.595 -5.507 6.435 371 HG3 PRO 904 HG1 PRO 904 -15.300 -5.815 6.069 372 HD2 PRO 904 HD2 PRO 904 -13.747 -4.426 4.406 373 HD3 PRO 904 HD1 PRO 904 -15.451 -3.982 4.646 374 H GLU 905 H GLU 905 -14.395 -1.486 9.297 375 HA GLU 905 HA GLU 905 -11.543 -1.077 9.487 376 HB2 GLU 905 HB2 GLU 905 -13.664 -0.471 11.544 377 HB3 GLU 905 HB1 GLU 905 -12.072 0.262 11.410 378 HG2 GLU 905 HG2 GLU 905 -12.728 1.291 9.294 379 HG3 GLU 905 HG1 GLU 905 -14.321 0.552 9.451 380 H GLU 906 H GLU 906 -13.932 -3.161 10.667 381 HA GLU 906 HA GLU 906 -12.604 -4.249 12.944 382 HB2 GLU 906 HB2 GLU 906 -14.328 -5.990 12.841 383 HB3 GLU 906 HB1 GLU 906 -15.026 -4.384 12.654 384 HG2 GLU 906 HG2 GLU 906 -14.975 -4.756 10.188 385 HG3 GLU 906 HG1 GLU 906 -14.548 -6.434 10.508 386 H MET 907 H MET 907 -11.942 -4.546 9.678 387 HA MET 907 HA MET 907 -10.605 -7.124 10.063 388 HB2 MET 907 HB2 MET 907 -12.399 -7.200 8.343 389 HB3 MET 907 HB1 MET 907 -11.601 -5.879 7.495 390 HG2 MET 907 HG2 MET 907 -9.616 -7.319 7.188 391 HG3 MET 907 HG1 MET 907 -10.493 -8.637 7.954 392 HE1 MET 907 HE1 MET 907 -11.648 -6.778 3.872 393 HE2 MET 907 HE2 MET 907 -10.226 -6.298 4.791 394 HE3 MET 907 HE3 MET 907 -11.835 -5.905 5.390 395 H GLN 908 H GLN 908 -8.453 -7.046 9.862 396 HA GLN 908 HA GLN 908 -7.142 -4.547 9.325 397 HB2 GLN 908 HB2 GLN 908 -5.968 -7.318 9.697 398 HB3 GLN 908 HB1 GLN 908 -5.070 -5.807 9.711 399 HG2 GLN 908 HG2 GLN 908 -6.261 -5.113 11.724 400 HG3 GLN 908 HG1 GLN 908 -7.179 -6.614 11.700 401 HE21 GLN 908 HE21 GLN 908 -3.750 -6.385 10.940 402 HE22 GLN 908 HE22 GLN 908 -3.225 -7.247 12.342 403 H TRP 909 H TRP 909 -5.792 -4.169 7.526 404 HA TRP 909 HA TRP 909 -6.418 -5.925 5.270 405 HD1 TRP 909 HD TRP 909 -8.205 -5.067 2.824 406 HE1 TRP 909 HE1 TRP 909 -7.294 -4.807 0.420 407 HE3 TRP 909 HE3 TRP 909 -3.986 -2.383 3.832 408 HZ2 TRP 909 HZ2 TRP 909 -5.102 -3.601 -0.853 409 HZ3 TRP 909 HZ3 TRP 909 -2.524 -1.721 1.969 410 HH2 TRP 909 HH TRP 909 -3.074 -2.325 -0.329 411 HB2 TRP 909 HB2 TRP 909 -7.615 -3.760 5.108 412 HB3 TRP 909 HB1 TRP 909 -6.072 -2.918 5.176 413 H PHE 910 H PHE 910 -4.802 -6.384 3.853 414 HA PHE 910 HA PHE 910 -2.145 -5.388 4.490 415 HD1 PHE 910 HD2 PHE 910 -0.933 -6.422 6.569 416 HD2 PHE 910 HD1 PHE 910 -4.133 -9.098 5.741 417 HE1 PHE 910 HE2 PHE 910 -1.330 -6.685 8.974 418 HE2 PHE 910 HE1 PHE 910 -4.542 -9.364 8.151 419 HZ PHE 910 HZ PHE 910 -3.147 -8.153 9.770 420 HB2 PHE 910 HB2 PHE 910 -2.849 -8.300 3.990 421 HB3 PHE 910 HB1 PHE 910 -1.241 -7.662 4.307 422 H CYS 911 H CYS 911 -0.947 -5.007 2.713 423 HA CYS 911 HA CYS 911 -2.122 -4.709 0.169 424 HB2 CYS 911 HB2 CYS 911 0.243 -4.157 -0.411 425 HB3 CYS 911 HB1 CYS 911 -0.355 -3.287 1.005 426 HA PRO 912 HA PRO 912 -1.193 -8.628 -1.875 427 HB2 PRO 912 HB2 PRO 912 0.356 -7.662 -4.021 428 HB3 PRO 912 HB1 PRO 912 -1.386 -7.926 -4.036 429 HG2 PRO 912 HG2 PRO 912 0.141 -5.408 -3.649 430 HG3 PRO 912 HG1 PRO 912 -1.452 -5.649 -4.378 431 HD2 PRO 912 HD2 PRO 912 -1.142 -4.582 -1.942 432 HD3 PRO 912 HD1 PRO 912 -2.523 -5.616 -2.345 433 H LYS 913 H LYS 913 1.281 -6.402 -0.966 434 HA LYS 913 HA LYS 913 3.527 -8.148 -1.341 435 HB2 LYS 913 HB2 LYS 913 3.195 -5.605 0.281 436 HB3 LYS 913 HB1 LYS 913 4.725 -6.440 0.062 437 HG2 LYS 913 HG2 LYS 913 3.055 -5.417 -2.194 438 HG3 LYS 913 HG1 LYS 913 4.334 -4.437 -1.514 439 HD2 LYS 913 HD2 LYS 913 5.934 -6.270 -2.067 440 HD3 LYS 913 HD1 LYS 913 4.603 -7.184 -2.765 441 HE2 LYS 913 HE2 LYS 913 4.225 -5.382 -4.370 442 HE3 LYS 913 HE1 LYS 913 5.594 -4.502 -3.689 443 HZ1 LYS 913 HZ1 LYS 913 5.765 -7.196 -4.921 444 HZ2 LYS 913 HZ2 LYS 913 7.057 -6.233 -4.374 445 HZ3 LYS 913 HZ3 LYS 913 6.137 -5.739 -5.684 446 H CYS 914 H CYS 914 1.619 -7.072 1.454 447 HA CYS 914 HA CYS 914 2.846 -9.055 3.103 448 HB2 CYS 914 HB2 CYS 914 0.590 -7.148 3.565 449 HB3 CYS 914 HB1 CYS 914 1.029 -8.373 4.759 450 H ALA 915 H ALA 915 -0.009 -8.920 1.192 451 HA ALA 915 HA ALA 915 -1.100 -11.288 2.261 452 HB1 ALA 915 HB1 ALA 915 -1.599 -10.071 -0.445 453 HB2 ALA 915 HB2 ALA 915 -2.434 -9.653 1.059 454 HB3 ALA 915 HB3 ALA 915 -2.600 -11.275 0.385 455 H ASN 916 H ASN 916 1.553 -10.729 0.265 456 HA ASN 916 HA ASN 916 1.579 -13.363 -0.903 457 HB2 ASN 916 HB2 ASN 916 2.804 -11.402 -1.918 458 HB3 ASN 916 HB1 ASN 916 3.893 -11.430 -0.541 459 HD21 ASN 916 HD21 ASN 916 2.593 -14.241 -2.262 460 HD22 ASN 916 HD22 ASN 916 4.113 -14.790 -2.847 461 H LYS 917 H LYS 917 2.692 -11.765 1.991 462 HA LYS 917 HA LYS 917 4.225 -13.987 2.966 463 HB2 LYS 917 HB2 LYS 917 3.240 -11.465 4.326 464 HB3 LYS 917 HB1 LYS 917 4.337 -12.622 5.059 465 HG2 LYS 917 HG2 LYS 917 6.010 -12.138 3.315 466 HG3 LYS 917 HG1 LYS 917 4.899 -10.994 2.581 467 HD2 LYS 917 HD2 LYS 917 5.911 -10.743 5.415 468 HD3 LYS 917 HD1 LYS 917 6.684 -9.966 4.024 469 HE2 LYS 917 HE2 LYS 917 4.688 -8.733 3.555 470 HE3 LYS 917 HE1 LYS 917 3.812 -9.557 4.851 471 HZ1 LYS 917 HZ1 LYS 917 4.436 -7.375 5.459 472 HZ2 LYS 917 HZ2 LYS 917 6.057 -7.601 5.160 473 HZ3 LYS 917 HZ3 LYS 917 5.298 -8.418 6.441 474 H ILE 918 H ILE 918 0.997 -12.631 3.477 475 HA ILE 918 HA ILE 918 0.146 -14.538 5.423 476 HB ILE 918 HB ILE 918 -1.581 -13.067 3.400 477 HG12 ILE 918 HG12 ILE 918 -0.223 -11.430 4.615 478 HG13 ILE 918 HG11 ILE 918 -1.911 -11.289 5.061 479 HG21 ILE 918 HG21 ILE 918 -2.764 -14.849 4.512 480 HG22 ILE 918 HG22 ILE 918 -3.378 -13.288 5.060 481 HG23 ILE 918 HG23 ILE 918 -2.291 -14.217 6.090 482 HD11 ILE 918 HD11 ILE 918 -0.480 -11.026 6.970 483 HD12 ILE 918 HD12 ILE 918 0.262 -12.602 6.667 484 HD13 ILE 918 HD13 ILE 918 -1.443 -12.498 7.133 485 H LYS 919 H LYS 919 -0.798 -14.095 2.036 486 HA LYS 919 HA LYS 919 -1.440 -15.269 0.421 487 HB2 LYS 919 HB2 LYS 919 0.835 -16.177 0.576 488 HB3 LYS 919 HB1 LYS 919 0.231 -17.487 1.583 489 HG2 LYS 919 HG2 LYS 919 -1.170 -18.239 -0.188 490 HG3 LYS 919 HG1 LYS 919 -0.634 -16.928 -1.231 491 HD2 LYS 919 HD2 LYS 919 1.190 -19.061 -0.102 492 HD3 LYS 919 HD1 LYS 919 0.555 -19.062 -1.748 493 HE2 LYS 919 HE2 LYS 919 1.690 -16.898 -2.150 494 HE3 LYS 919 HE1 LYS 919 2.381 -16.974 -0.530 495 HZ1 LYS 919 HZ1 LYS 919 3.529 -18.996 -1.150 496 HZ2 LYS 919 HZ2 LYS 919 3.934 -17.775 -2.243 497 HZ3 LYS 919 HZ3 LYS 919 2.833 -18.963 -2.676 498 H LYS 920 H LYS 920 -3.378 -15.763 0.108 499 HA LYS 920 HA LYS 920 -5.092 -16.927 2.049 500 HB2 LYS 920 HB2 LYS 920 -5.583 -16.458 -0.903 501 HB3 LYS 920 HB1 LYS 920 -6.812 -16.770 0.305 502 HG2 LYS 920 HG2 LYS 920 -6.351 -14.656 1.387 503 HG3 LYS 920 HG1 LYS 920 -5.003 -14.354 0.294 504 HD2 LYS 920 HD2 LYS 920 -6.538 -14.286 -1.611 505 HD3 LYS 920 HD1 LYS 920 -7.895 -14.647 -0.548 506 HE2 LYS 920 HE2 LYS 920 -6.144 -12.192 -0.354 507 HE3 LYS 920 HE1 LYS 920 -7.711 -12.240 -1.148 508 HZ1 LYS 920 HZ1 LYS 920 -7.863 -11.359 1.095 509 HZ2 LYS 920 HZ2 LYS 920 -7.236 -12.789 1.739 510 HZ3 LYS 920 HZ3 LYS 920 -8.735 -12.792 0.957 511 H ASP 921 H ASP 921 -4.075 -18.915 2.467 512 HA ASP 921 HA ASP 921 -3.792 -21.153 2.459 513 HB2 ASP 921 HB2 ASP 921 -6.112 -21.463 1.698 514 HB3 ASP 921 HB1 ASP 921 -5.626 -21.168 0.033 515 H LYS 922 H LYS 922 -3.904 -20.239 -0.886 516 HA LYS 922 HA LYS 922 -1.189 -20.225 -1.414 517 HB2 LYS 922 HB2 LYS 922 -1.308 -22.691 -1.233 518 HB3 LYS 922 HB1 LYS 922 -2.652 -22.722 -2.367 519 HG2 LYS 922 HG2 LYS 922 -1.128 -21.663 -4.057 520 HG3 LYS 922 HG1 LYS 922 0.191 -21.925 -2.922 521 HD2 LYS 922 HD2 LYS 922 -1.581 -24.107 -3.977 522 HD3 LYS 922 HD1 LYS 922 -0.052 -23.644 -4.713 523 HE2 LYS 922 HE2 LYS 922 1.085 -24.197 -2.584 524 HE3 LYS 922 HE1 LYS 922 -0.465 -24.717 -1.922 525 HZ1 LYS 922 HZ1 LYS 922 0.797 -25.863 -4.337 526 HZ2 LYS 922 HZ2 LYS 922 -0.599 -26.436 -3.581 527 HZ3 LYS 922 HZ3 LYS 922 0.908 -26.548 -2.810 528 H LYS 923 H LYS 923 -1.006 -19.116 -3.332 529 HA LYS 923 HA LYS 923 -3.433 -18.920 -4.932 530 HB2 LYS 923 HB2 LYS 923 -2.761 -16.735 -4.124 531 HB3 LYS 923 HB1 LYS 923 -1.105 -16.998 -4.657 532 HG2 LYS 923 HG2 LYS 923 -1.779 -16.954 -6.959 533 HG3 LYS 923 HG1 LYS 923 -3.465 -16.881 -6.524 534 HD2 LYS 923 HD2 LYS 923 -1.467 -14.753 -5.741 535 HD3 LYS 923 HD1 LYS 923 -2.426 -14.666 -7.210 536 HE2 LYS 923 HE2 LYS 923 -3.506 -14.773 -4.377 537 HE3 LYS 923 HE1 LYS 923 -3.424 -13.346 -5.400 538 HZ1 LYS 923 HZ1 LYS 923 -5.074 -15.772 -5.967 539 HZ2 LYS 923 HZ2 LYS 923 -4.991 -14.411 -6.945 540 HZ3 LYS 923 HZ3 LYS 923 -5.646 -14.299 -5.411 541 H HIS 924 H HIS 924 -3.293 -19.428 -7.081 542 HA HIS 924 HA HIS 924 -0.706 -20.490 -7.968 543 HD1 HIS 924 HD1 HIS 924 -1.506 -24.363 -7.497 544 HD2 HIS 924 HD2 HIS 924 -1.297 -22.031 -10.924 545 HE1 HIS 924 HE1 HIS 924 -0.318 -25.777 -9.177 546 HE2 HIS 924 HE2 HIS 924 -0.390 -24.447 -11.296 547 HB2 HIS 924 HB2 HIS 924 -2.482 -22.137 -7.122 548 HB3 HIS 924 HB1 HIS 924 -3.389 -21.686 -8.555 Start of MODEL 19 1 H1 GLY 850 HT1 GLY 850 7.130 14.956 3.289 2 H2 GLY 850 HT2 GLY 850 7.052 16.596 3.692 3 H3 GLY 850 HT3 GLY 850 8.003 15.514 4.607 4 HA2 GLY 850 HA1 GLY 850 8.473 16.216 1.787 5 HA3 GLY 850 HA2 GLY 850 9.394 16.808 3.175 6 H SER 851 H SER 851 11.285 15.888 2.345 7 HA SER 851 HA SER 851 12.923 14.384 2.342 8 HG SER 851 HG SER 851 11.198 14.066 5.316 9 HB2 SER 851 HB2 SER 851 11.036 12.568 3.878 10 HB3 SER 851 HB1 SER 851 12.793 12.439 3.807 11 H HIS 852 H HIS 852 13.368 11.921 1.700 12 HA HIS 852 HA HIS 852 13.362 10.283 0.174 13 HD2 HIS 852 HD2 HIS 852 9.599 11.059 2.256 14 HE1 HIS 852 HE1 HIS 852 10.617 7.051 3.159 15 HE2 HIS 852 HE2 HIS 852 9.186 8.990 3.807 16 HB2 HIS 852 HB2 HIS 852 10.455 10.972 -0.366 17 HB3 HIS 852 HB1 HIS 852 11.268 9.503 -0.882 18 H MET 853 H MET 853 13.236 13.366 -0.484 19 HA MET 853 HA MET 853 13.787 14.747 -2.134 20 HB2 MET 853 HB2 MET 853 15.626 13.065 -2.532 21 HB3 MET 853 HB1 MET 853 14.603 12.288 -3.717 22 HG2 MET 853 HG2 MET 853 15.455 15.163 -3.966 23 HG3 MET 853 HG1 MET 853 16.442 13.842 -4.563 24 HE1 MET 853 HE1 MET 853 16.442 15.056 -6.930 25 HE2 MET 853 HE2 MET 853 15.400 16.337 -6.305 26 HE3 MET 853 HE3 MET 853 14.976 15.505 -7.801 27 H ALA 854 H ALA 854 12.645 12.159 -4.040 28 HA ALA 854 HA ALA 854 10.090 12.795 -4.702 29 HB1 ALA 854 HB1 ALA 854 11.934 14.206 -6.660 30 HB2 ALA 854 HB2 ALA 854 10.825 15.018 -5.552 31 HB3 ALA 854 HB3 ALA 854 10.191 14.021 -6.861 32 H MET 855 H MET 855 13.060 11.991 -5.706 33 HA MET 855 HA MET 855 12.205 9.974 -7.626 34 HB2 MET 855 HB2 MET 855 15.006 10.503 -6.599 35 HB3 MET 855 HB1 MET 855 14.585 9.397 -7.900 36 HG2 MET 855 HG2 MET 855 14.201 12.381 -7.920 37 HG3 MET 855 HG1 MET 855 15.461 11.486 -8.768 38 HE1 MET 855 HE1 MET 855 14.800 12.710 -11.027 39 HE2 MET 855 HE2 MET 855 13.547 13.599 -10.159 40 HE3 MET 855 HE3 MET 855 13.153 12.760 -11.660 41 H ALA 856 H ALA 856 10.877 9.008 -6.071 42 HA ALA 856 HA ALA 856 11.762 6.561 -5.099 43 HB1 ALA 856 HB1 ALA 856 11.203 8.654 -2.966 44 HB2 ALA 856 HB2 ALA 856 12.765 7.902 -3.296 45 HB3 ALA 856 HB3 ALA 856 11.439 6.919 -2.689 46 H TYR 857 H TYR 857 9.726 6.332 -3.092 47 HA TYR 857 HA TYR 857 7.446 6.399 -4.876 48 HD1 TYR 857 HD2 TYR 857 9.937 3.943 -3.113 49 HD2 TYR 857 HD1 TYR 857 6.181 3.520 -5.065 50 HE1 TYR 857 HE2 TYR 857 10.834 2.081 -4.404 51 HE2 TYR 857 HE1 TYR 857 7.061 1.651 -6.371 52 HH TYR 857 HH TYR 857 9.898 0.052 -5.627 53 HB2 TYR 857 HB2 TYR 857 7.872 5.012 -2.221 54 HB3 TYR 857 HB1 TYR 857 6.373 4.931 -3.137 55 H VAL 858 H VAL 858 8.671 8.653 -3.122 56 HA VAL 858 HA VAL 858 6.105 9.695 -2.222 57 HB VAL 858 HB VAL 858 8.695 9.892 -0.637 58 HG11 VAL 858 HG11 VAL 858 5.972 11.017 -0.026 59 HG12 VAL 858 HG12 VAL 858 7.390 11.953 -0.497 60 HG13 VAL 858 HG13 VAL 858 7.370 11.097 1.047 61 HG21 VAL 858 HG21 VAL 858 7.635 7.708 -0.366 62 HG22 VAL 858 HG22 VAL 858 6.111 8.488 0.060 63 HG23 VAL 858 HG23 VAL 858 7.511 8.649 1.123 64 H ILE 859 H ILE 859 5.751 11.467 -3.281 65 HA ILE 859 HA ILE 859 7.971 13.284 -4.035 66 HB ILE 859 HB ILE 859 5.353 12.930 -5.605 67 HG12 ILE 859 HG12 ILE 859 8.073 11.778 -6.298 68 HG13 ILE 859 HG11 ILE 859 6.713 10.840 -5.692 69 HG21 ILE 859 HG21 ILE 859 7.940 14.302 -6.349 70 HG22 ILE 859 HG22 ILE 859 6.424 15.094 -5.923 71 HG23 ILE 859 HG23 ILE 859 6.530 14.127 -7.396 72 HD11 ILE 859 HD11 ILE 859 5.439 11.392 -7.697 73 HD12 ILE 859 HD12 ILE 859 6.967 10.613 -8.106 74 HD13 ILE 859 HD13 ILE 859 6.786 12.359 -8.295 75 H ARG 860 H ARG 860 7.015 15.680 -4.196 76 HA ARG 860 HA ARG 860 4.966 15.940 -2.109 77 HE ARG 860 HE ARG 860 8.383 19.428 -2.225 78 HB2 ARG 860 HB2 ARG 860 6.959 18.050 -2.991 79 HB3 ARG 860 HB1 ARG 860 5.817 18.178 -1.662 80 HG2 ARG 860 HG2 ARG 860 6.991 16.403 -0.471 81 HG3 ARG 860 HG1 ARG 860 8.124 16.255 -1.813 82 HD2 ARG 860 HD2 ARG 860 7.724 18.667 -0.045 83 HD3 ARG 860 HD1 ARG 860 9.117 17.592 -0.037 84 HH11 ARG 860 HH11 ARG 860 10.900 17.529 -0.614 85 HH12 ARG 860 HH12 ARG 860 12.187 18.316 -1.405 86 HH21 ARG 860 HH21 ARG 860 10.123 20.494 -3.269 87 HH22 ARG 860 HH22 ARG 860 11.735 20.072 -2.938 88 H ASP 861 H ASP 861 3.128 16.792 -2.627 89 HA ASP 861 HA ASP 861 2.450 17.617 -5.294 90 HB2 ASP 861 HB2 ASP 861 0.813 16.438 -3.893 91 HB3 ASP 861 HB1 ASP 861 0.954 17.696 -2.668 92 H GLU 862 H GLU 862 1.110 19.727 -5.358 93 HA GLU 862 HA GLU 862 2.917 21.915 -5.003 94 HB2 GLU 862 HB2 GLU 862 0.973 23.293 -5.852 95 HB3 GLU 862 HB1 GLU 862 1.514 21.999 -6.914 96 HG2 GLU 862 HG2 GLU 862 -0.319 20.598 -6.184 97 HG3 GLU 862 HG1 GLU 862 -0.822 21.837 -5.041 98 H TRP 863 H TRP 863 0.197 20.684 -3.207 99 HA TRP 863 HA TRP 863 0.011 22.973 -1.450 100 HD1 TRP 863 HD TRP 863 -0.977 21.001 1.717 101 HE1 TRP 863 HE1 TRP 863 -2.797 22.264 3.033 102 HE3 TRP 863 HE3 TRP 863 -3.568 22.974 -2.199 103 HZ2 TRP 863 HZ2 TRP 863 -5.039 23.881 2.472 104 HZ3 TRP 863 HZ3 TRP 863 -5.552 24.366 -1.731 105 HH2 TRP 863 HH TRP 863 -6.263 24.800 0.563 106 HB2 TRP 863 HB2 TRP 863 -1.843 21.275 -2.049 107 HB3 TRP 863 HB1 TRP 863 -1.008 20.189 -0.952 108 H GLY 864 H GLY 864 2.019 20.283 -1.833 109 HA2 GLY 864 HA2 GLY 864 4.020 20.034 -0.676 110 HA3 GLY 864 HA1 GLY 864 3.334 20.763 0.752 111 H ASN 865 H ASN 865 0.983 18.764 -0.170 112 HA ASN 865 HA ASN 865 1.624 16.795 1.786 113 HB2 ASN 865 HB2 ASN 865 -0.535 16.741 -0.344 114 HB3 ASN 865 HB1 ASN 865 -0.333 15.489 0.865 115 HD21 ASN 865 HD21 ASN 865 -1.547 18.611 0.194 116 HD22 ASN 865 HD22 ASN 865 -2.258 18.899 1.740 117 H GLN 866 H GLN 866 2.220 14.627 1.531 118 HA GLN 866 HA GLN 866 3.970 14.277 -0.607 119 HB2 GLN 866 HB2 GLN 866 4.497 12.224 0.466 120 HB3 GLN 866 HB1 GLN 866 4.443 13.511 1.655 121 HG2 GLN 866 HG2 GLN 866 2.154 12.715 2.260 122 HG3 GLN 866 HG1 GLN 866 2.421 11.338 1.190 123 HE21 GLN 866 HE21 GLN 866 2.385 9.836 2.753 124 HE22 GLN 866 HE22 GLN 866 3.598 9.618 3.942 125 H ILE 867 H ILE 867 3.895 12.879 -2.177 126 HA ILE 867 HA ILE 867 1.313 11.763 -3.001 127 HB ILE 867 HB ILE 867 3.846 12.374 -4.516 128 HG12 ILE 867 HG12 ILE 867 2.549 14.380 -3.966 129 HG13 ILE 867 HG11 ILE 867 2.560 14.034 -5.701 130 HG21 ILE 867 HG21 ILE 867 1.258 11.260 -5.588 131 HG22 ILE 867 HG22 ILE 867 2.796 10.402 -5.471 132 HG23 ILE 867 HG23 ILE 867 2.630 11.779 -6.566 133 HD11 ILE 867 HD11 ILE 867 0.368 14.757 -4.976 134 HD12 ILE 867 HD12 ILE 867 0.311 13.433 -3.808 135 HD13 ILE 867 HD13 ILE 867 0.354 13.085 -5.540 136 H TRP 868 H TRP 868 1.162 9.709 -2.749 137 HA TRP 868 HA TRP 868 3.507 8.070 -2.164 138 HD1 TRP 868 HD TRP 868 3.291 6.794 0.482 139 HE1 TRP 868 HE1 TRP 868 2.468 7.740 2.700 140 HE3 TRP 868 HE3 TRP 868 -1.013 8.982 -1.170 141 HZ2 TRP 868 HZ2 TRP 868 0.236 9.257 3.645 142 HZ3 TRP 868 HZ3 TRP 868 -2.440 10.161 0.452 143 HH2 TRP 868 HH TRP 868 -1.824 10.296 2.802 144 HB2 TRP 868 HB2 TRP 868 0.566 7.404 -2.155 145 HB3 TRP 868 HB1 TRP 868 1.840 6.253 -1.800 146 H ILE 869 H ILE 869 4.228 6.515 -3.502 147 HA ILE 869 HA ILE 869 2.718 6.120 -5.958 148 HB ILE 869 HB ILE 869 5.672 5.618 -5.440 149 HG12 ILE 869 HG12 ILE 869 4.214 7.543 -7.259 150 HG13 ILE 869 HG11 ILE 869 5.139 7.967 -5.823 151 HG21 ILE 869 HG21 ILE 869 4.777 3.836 -6.869 152 HG22 ILE 869 HG22 ILE 869 5.832 4.905 -7.796 153 HG23 ILE 869 HG23 ILE 869 4.082 5.043 -7.953 154 HD11 ILE 869 HD11 ILE 869 6.324 8.517 -7.839 155 HD12 ILE 869 HD12 ILE 869 6.171 6.867 -8.420 156 HD13 ILE 869 HD13 ILE 869 7.179 7.215 -7.003 157 H CYS 870 H CYS 870 1.718 4.389 -6.264 158 HA CYS 870 HA CYS 870 1.540 2.396 -4.273 159 HB2 CYS 870 HB2 CYS 870 -0.400 3.227 -5.485 160 HB3 CYS 870 HB1 CYS 870 0.331 2.778 -7.010 161 HA PRO 871 HA PRO 871 4.877 0.071 -6.297 162 HB2 PRO 871 HB2 PRO 871 4.263 -1.872 -4.185 163 HB3 PRO 871 HB1 PRO 871 5.785 -1.041 -4.519 164 HG2 PRO 871 HG2 PRO 871 4.271 -0.454 -2.365 165 HG3 PRO 871 HG1 PRO 871 5.231 0.770 -3.213 166 HD2 PRO 871 HD2 PRO 871 2.270 0.271 -3.361 167 HD3 PRO 871 HD1 PRO 871 3.196 1.788 -3.365 168 H GLY 872 H GLY 872 1.599 -0.519 -6.042 169 HA2 GLY 872 HA2 GLY 872 1.571 -3.228 -6.996 170 HA3 GLY 872 HA1 GLY 872 0.192 -2.137 -6.879 171 H CYS 873 H CYS 873 1.224 0.008 -8.425 172 HA CYS 873 HA CYS 873 1.156 -1.229 -11.098 173 HB2 CYS 873 HB2 CYS 873 0.055 0.947 -11.665 174 HB3 CYS 873 HB1 CYS 873 -0.861 -0.132 -10.610 175 H ASN 874 H ASN 874 2.877 0.768 -8.927 176 HA ASN 874 HA ASN 874 4.722 2.010 -8.991 177 HB2 ASN 874 HB2 ASN 874 5.685 0.292 -10.577 178 HB3 ASN 874 HB1 ASN 874 4.995 1.178 -11.924 179 HD21 ASN 874 HD21 ASN 874 7.023 1.493 -12.889 180 HD22 ASN 874 HD22 ASN 874 8.187 2.576 -12.252 181 H LYS 875 H LYS 875 2.069 2.959 -9.486 182 HA LYS 875 HA LYS 875 2.685 5.417 -10.974 183 HB2 LYS 875 HB2 LYS 875 -0.027 4.228 -10.370 184 HB3 LYS 875 HB1 LYS 875 0.281 5.759 -11.173 185 HG2 LYS 875 HG2 LYS 875 1.273 4.606 -13.048 186 HG3 LYS 875 HG1 LYS 875 1.066 3.053 -12.227 187 HD2 LYS 875 HD2 LYS 875 -1.370 3.421 -12.189 188 HD3 LYS 875 HD1 LYS 875 -1.147 4.945 -13.041 189 HE2 LYS 875 HE2 LYS 875 -1.845 3.228 -14.580 190 HE3 LYS 875 HE1 LYS 875 -0.190 3.709 -14.942 191 HZ1 LYS 875 HZ1 LYS 875 0.599 1.709 -13.818 192 HZ2 LYS 875 HZ2 LYS 875 -0.481 1.328 -15.037 193 HZ3 LYS 875 HZ3 LYS 875 -0.997 1.272 -13.437 194 HA PRO 876 HA PRO 876 2.231 7.582 -7.069 195 HB2 PRO 876 HB2 PRO 876 1.882 10.051 -8.117 196 HB3 PRO 876 HB1 PRO 876 3.469 9.304 -7.998 197 HG2 PRO 876 HG2 PRO 876 1.644 9.552 -10.343 198 HG3 PRO 876 HG1 PRO 876 3.411 9.677 -10.282 199 HD2 PRO 876 HD2 PRO 876 2.125 7.437 -11.159 200 HD3 PRO 876 HD1 PRO 876 3.695 7.391 -10.355 201 H ASP 877 H ASP 877 0.721 8.880 -5.981 202 HA ASP 877 HA ASP 877 -2.008 8.447 -6.516 203 HB2 ASP 877 HB2 ASP 877 -1.349 8.926 -4.247 204 HB3 ASP 877 HB1 ASP 877 -0.668 10.481 -4.723 205 H ASP 878 H ASP 878 -3.468 9.650 -7.461 206 HA ASP 878 HA ASP 878 -2.535 12.063 -8.886 207 HB2 ASP 878 HB2 ASP 878 -2.780 9.913 -10.249 208 HB3 ASP 878 HB1 ASP 878 -4.505 10.024 -9.928 209 H GLY 879 H GLY 879 -3.781 11.904 -6.318 210 HA2 GLY 879 HA2 GLY 879 -5.498 12.891 -5.161 211 HA3 GLY 879 HA1 GLY 879 -6.169 13.458 -6.700 212 H SER 880 H SER 880 -5.366 10.299 -5.403 213 HA SER 880 HA SER 880 -7.976 9.363 -6.297 214 HG SER 880 HG SER 880 -4.652 8.654 -5.770 215 HB2 SER 880 HB2 SER 880 -6.636 7.202 -6.745 216 HB3 SER 880 HB1 SER 880 -6.451 8.544 -7.872 217 HA PRO 881 HA PRO 881 -8.379 7.691 -2.153 218 HB2 PRO 881 HB2 PRO 881 -9.783 5.388 -3.346 219 HB3 PRO 881 HB1 PRO 881 -10.380 6.573 -2.191 220 HG2 PRO 881 HG2 PRO 881 -11.213 6.547 -4.735 221 HG3 PRO 881 HG1 PRO 881 -11.019 8.056 -3.824 222 HD2 PRO 881 HD2 PRO 881 -9.225 6.856 -5.897 223 HD3 PRO 881 HD1 PRO 881 -9.672 8.553 -5.620 224 H MET 882 H MET 882 -6.911 6.570 -1.071 225 HA MET 882 HA MET 882 -5.746 4.224 -2.355 226 HB2 MET 882 HB2 MET 882 -4.170 6.368 -0.907 227 HB3 MET 882 HB1 MET 882 -3.520 4.844 -1.497 228 HG2 MET 882 HG2 MET 882 -4.101 5.512 -3.789 229 HG3 MET 882 HG1 MET 882 -4.672 7.060 -3.177 230 HE1 MET 882 HE1 MET 882 -1.477 4.798 -2.415 231 HE2 MET 882 HE2 MET 882 -0.292 5.667 -3.401 232 HE3 MET 882 HE3 MET 882 -1.664 4.876 -4.170 233 H ILE 883 H ILE 883 -4.727 2.788 -0.870 234 HA ILE 883 HA ILE 883 -5.751 3.009 1.837 235 HB ILE 883 HB ILE 883 -7.348 1.563 0.542 236 HG12 ILE 883 HG12 ILE 883 -5.696 -0.175 2.375 237 HG13 ILE 883 HG11 ILE 883 -6.735 1.110 2.978 238 HG21 ILE 883 HG21 ILE 883 -4.975 -0.141 -0.095 239 HG22 ILE 883 HG22 ILE 883 -5.955 0.789 -1.229 240 HG23 ILE 883 HG23 ILE 883 -6.657 -0.577 -0.373 241 HD11 ILE 883 HD11 ILE 883 -8.666 -0.001 1.976 242 HD12 ILE 883 HD12 ILE 883 -7.819 -1.047 3.118 243 HD13 ILE 883 HD13 ILE 883 -7.610 -1.286 1.387 244 H GLY 884 H GLY 884 -4.339 2.200 3.378 245 HA2 GLY 884 HA2 GLY 884 -1.732 1.422 2.301 246 HA3 GLY 884 HA1 GLY 884 -2.009 2.220 3.850 247 H CYS 885 H CYS 885 -0.542 -0.259 3.418 248 HA CYS 885 HA CYS 885 -2.335 -2.256 4.207 249 HB2 CYS 885 HB2 CYS 885 -0.100 -3.548 4.516 250 HB3 CYS 885 HB1 CYS 885 -0.648 -3.156 2.951 251 H ASP 886 H ASP 886 -2.699 -3.170 6.107 252 HA ASP 886 HA ASP 886 -2.715 -1.443 8.348 253 HB2 ASP 886 HB2 ASP 886 -4.420 -3.228 7.919 254 HB3 ASP 886 HB1 ASP 886 -3.206 -4.417 8.321 255 H ASP 887 H ASP 887 -0.897 -4.359 7.668 256 HA ASP 887 HA ASP 887 0.459 -4.418 10.237 257 HB2 ASP 887 HB2 ASP 887 -0.051 -6.487 8.525 258 HB3 ASP 887 HB1 ASP 887 1.314 -5.824 7.765 259 H CYS 888 H CYS 888 1.114 -3.855 6.876 260 HA CYS 888 HA CYS 888 3.832 -3.915 7.107 261 HB2 CYS 888 HB2 CYS 888 2.538 -3.118 4.685 262 HB3 CYS 888 HB1 CYS 888 3.539 -4.517 5.075 263 H ASP 889 H ASP 889 2.627 -1.432 4.973 264 HA ASP 889 HA ASP 889 3.881 0.809 6.302 265 HB2 ASP 889 HB2 ASP 889 5.843 -0.564 6.313 266 HB3 ASP 889 HB1 ASP 889 5.660 -0.918 4.611 267 H ASP 890 H ASP 890 2.846 -0.652 3.285 268 HA ASP 890 HA ASP 890 3.681 1.663 1.714 269 HB2 ASP 890 HB2 ASP 890 2.435 -0.925 0.776 270 HB3 ASP 890 HB1 ASP 890 3.021 0.362 -0.253 271 H TRP 891 H TRP 891 2.095 2.248 -0.073 272 HA TRP 891 HA TRP 891 -0.672 2.257 0.819 273 HD1 TRP 891 HD TRP 891 1.941 4.480 2.597 274 HE1 TRP 891 HE1 TRP 891 0.866 5.360 4.782 275 HE3 TRP 891 HE3 TRP 891 -2.862 5.027 0.961 276 HZ2 TRP 891 HZ2 TRP 891 -1.697 6.168 5.665 277 HZ3 TRP 891 HZ3 TRP 891 -4.566 5.857 2.527 278 HH2 TRP 891 HH TRP 891 -3.991 6.411 4.829 279 HB2 TRP 891 HB2 TRP 891 1.007 4.627 0.007 280 HB3 TRP 891 HB1 TRP 891 -0.739 4.640 -0.188 281 H TYR 892 H TYR 892 -2.011 1.684 -0.721 282 HA TYR 892 HA TYR 892 -1.007 1.568 -3.487 283 HD1 TYR 892 HD2 TYR 892 -0.020 -1.134 -4.301 284 HD2 TYR 892 HD1 TYR 892 -1.338 -0.965 -0.274 285 HE1 TYR 892 HE2 TYR 892 1.969 -2.407 -3.598 286 HE2 TYR 892 HE1 TYR 892 0.609 -2.198 0.447 287 HH TYR 892 HH TYR 892 3.334 -2.655 -1.433 288 HB2 TYR 892 HB2 TYR 892 -2.822 -0.412 -2.085 289 HB3 TYR 892 HB1 TYR 892 -2.290 -0.497 -3.759 290 H HIS 893 H HIS 893 -2.750 1.520 -5.024 291 HA HIS 893 HA HIS 893 -4.803 3.493 -4.335 292 HD2 HIS 893 HD2 HIS 893 -4.264 5.942 -6.054 293 HE1 HIS 893 HE1 HIS 893 -0.737 4.935 -8.140 294 HE2 HIS 893 HE2 HIS 893 -2.240 6.785 -7.441 295 HB2 HIS 893 HB2 HIS 893 -4.279 2.119 -6.983 296 HB3 HIS 893 HB1 HIS 893 -5.471 3.377 -6.724 297 H TRP 894 H TRP 894 -7.047 3.152 -4.526 298 HA TRP 894 HA TRP 894 -8.038 0.755 -3.622 299 HD1 TRP 894 HD TRP 894 -7.829 2.262 -1.882 300 HE1 TRP 894 HE1 TRP 894 -9.082 3.233 0.166 301 HE3 TRP 894 HE3 TRP 894 -12.331 3.269 -4.082 302 HZ2 TRP 894 HZ2 TRP 894 -11.650 4.254 0.750 303 HZ3 TRP 894 HZ3 TRP 894 -14.133 4.229 -2.710 304 HH2 TRP 894 HH TRP 894 -13.790 4.706 -0.345 305 HB2 TRP 894 HB2 TRP 894 -9.347 3.097 -4.937 306 HB3 TRP 894 HB1 TRP 894 -10.284 1.641 -4.661 307 HA PRO 895 HA PRO 895 -9.464 -0.630 -8.041 308 HB2 PRO 895 HB2 PRO 895 -8.128 0.419 -10.184 309 HB3 PRO 895 HB1 PRO 895 -9.656 1.065 -9.575 310 HG2 PRO 895 HG2 PRO 895 -6.858 1.997 -9.025 311 HG3 PRO 895 HG1 PRO 895 -8.292 2.960 -9.429 312 HD2 PRO 895 HD2 PRO 895 -7.455 2.751 -6.905 313 HD3 PRO 895 HD1 PRO 895 -9.185 2.740 -7.295 314 H CYS 896 H CYS 896 -6.207 -0.116 -7.059 315 HA CYS 896 HA CYS 896 -5.032 -2.023 -8.856 316 HB2 CYS 896 HB2 CYS 896 -4.058 -0.720 -6.344 317 HB3 CYS 896 HB1 CYS 896 -3.059 -1.774 -7.336 318 H VAL 897 H VAL 897 -6.164 -1.982 -5.585 319 HA VAL 897 HA VAL 897 -5.388 -4.767 -5.283 320 HB VAL 897 HB VAL 897 -5.829 -4.393 -2.845 321 HG11 VAL 897 HG11 VAL 897 -3.939 -2.429 -4.163 322 HG12 VAL 897 HG12 VAL 897 -3.572 -4.110 -3.783 323 HG13 VAL 897 HG13 VAL 897 -3.857 -2.954 -2.481 324 HG21 VAL 897 HG21 VAL 897 -6.155 -2.092 -2.059 325 HG22 VAL 897 HG22 VAL 897 -7.458 -2.631 -3.141 326 HG23 VAL 897 HG23 VAL 897 -6.204 -1.548 -3.742 327 H GLY 898 H GLY 898 -8.147 -2.679 -5.533 328 HA2 GLY 898 HA2 GLY 898 -10.142 -3.706 -6.427 329 HA3 GLY 898 HA1 GLY 898 -9.794 -5.079 -5.384 330 H ILE 899 H ILE 899 -9.592 -1.731 -4.370 331 HA ILE 899 HA ILE 899 -11.686 -2.319 -2.431 332 HB ILE 899 HB ILE 899 -10.146 0.277 -2.726 333 HG12 ILE 899 HG12 ILE 899 -8.560 -1.481 -2.180 334 HG13 ILE 899 HG11 ILE 899 -8.799 -0.412 -0.814 335 HG21 ILE 899 HG21 ILE 899 -11.820 -0.837 -0.495 336 HG22 ILE 899 HG22 ILE 899 -12.243 0.506 -1.559 337 HG23 ILE 899 HG23 ILE 899 -10.910 0.673 -0.414 338 HD11 ILE 899 HD11 ILE 899 -10.258 -2.032 0.225 339 HD12 ILE 899 HD12 ILE 899 -8.652 -2.694 -0.095 340 HD13 ILE 899 HD13 ILE 899 -10.016 -3.143 -1.133 341 H MET 900 H MET 900 -13.576 -2.145 -3.263 342 HA MET 900 HA MET 900 -14.103 -0.202 -5.351 343 HB2 MET 900 HB2 MET 900 -15.901 -2.314 -4.170 344 HB3 MET 900 HB1 MET 900 -16.241 -1.346 -5.597 345 HG2 MET 900 HG2 MET 900 -14.033 -3.376 -5.305 346 HG3 MET 900 HG1 MET 900 -15.527 -3.581 -6.211 347 HE1 MET 900 HE1 MET 900 -15.076 -1.064 -9.156 348 HE2 MET 900 HE2 MET 900 -15.875 -0.762 -7.616 349 HE3 MET 900 HE3 MET 900 -16.109 -2.304 -8.438 350 H ALA 901 H ALA 901 -14.587 -0.776 -2.002 351 HA ALA 901 HA ALA 901 -15.792 1.792 -1.631 352 HB1 ALA 901 HB1 ALA 901 -17.145 -0.761 -0.741 353 HB2 ALA 901 HB2 ALA 901 -17.765 0.369 -1.944 354 HB3 ALA 901 HB3 ALA 901 -17.614 0.865 -0.256 355 H ALA 902 H ALA 902 -15.462 2.491 0.473 356 HA ALA 902 HA ALA 902 -13.072 1.711 1.605 357 HB1 ALA 902 HB1 ALA 902 -14.030 3.941 1.874 358 HB2 ALA 902 HB2 ALA 902 -13.608 3.232 3.433 359 HB3 ALA 902 HB3 ALA 902 -15.292 3.277 2.910 360 HA PRO 903 HA PRO 903 -14.547 -1.862 3.945 361 HB2 PRO 903 HB2 PRO 903 -12.066 -2.622 4.789 362 HB3 PRO 903 HB1 PRO 903 -12.691 -3.014 3.184 363 HG2 PRO 903 HG2 PRO 903 -10.809 -0.847 4.011 364 HG3 PRO 903 HG1 PRO 903 -10.765 -1.877 2.569 365 HD2 PRO 903 HD2 PRO 903 -11.684 0.687 2.498 366 HD3 PRO 903 HD1 PRO 903 -12.313 -0.569 1.441 367 HA PRO 904 HA PRO 904 -14.672 0.019 7.982 368 HB2 PRO 904 HB2 PRO 904 -14.727 -2.752 9.008 369 HB3 PRO 904 HB1 PRO 904 -15.866 -1.434 9.301 370 HG2 PRO 904 HG2 PRO 904 -16.542 -3.440 7.695 371 HG3 PRO 904 HG1 PRO 904 -16.985 -1.769 7.304 372 HD2 PRO 904 HD2 PRO 904 -14.781 -3.443 6.172 373 HD3 PRO 904 HD1 PRO 904 -15.893 -2.320 5.352 374 H GLU 905 H GLU 905 -12.986 0.720 9.038 375 HA GLU 905 HA GLU 905 -10.419 -0.499 8.779 376 HB2 GLU 905 HB2 GLU 905 -9.580 1.393 10.124 377 HB3 GLU 905 HB1 GLU 905 -10.550 1.893 8.750 378 HG2 GLU 905 HG2 GLU 905 -12.431 2.327 10.186 379 HG3 GLU 905 HG1 GLU 905 -11.539 1.719 11.581 380 H GLU 906 H GLU 906 -12.844 -1.142 10.867 381 HA GLU 906 HA GLU 906 -11.309 -1.832 13.176 382 HB2 GLU 906 HB2 GLU 906 -13.361 -3.069 13.848 383 HB3 GLU 906 HB1 GLU 906 -13.662 -1.391 13.417 384 HG2 GLU 906 HG2 GLU 906 -14.334 -2.232 11.134 385 HG3 GLU 906 HG1 GLU 906 -14.294 -3.853 11.822 386 H MET 907 H MET 907 -11.736 -3.172 10.111 387 HA MET 907 HA MET 907 -10.851 -5.836 10.931 388 HB2 MET 907 HB2 MET 907 -12.739 -5.676 9.334 389 HB3 MET 907 HB1 MET 907 -11.733 -4.731 8.247 390 HG2 MET 907 HG2 MET 907 -11.876 -6.994 7.451 391 HG3 MET 907 HG1 MET 907 -10.238 -6.661 7.993 392 HE1 MET 907 HE1 MET 907 -10.720 -10.458 8.836 393 HE2 MET 907 HE2 MET 907 -9.734 -9.272 7.977 394 HE3 MET 907 HE3 MET 907 -11.391 -9.589 7.458 395 H GLN 908 H GLN 908 -8.855 -6.661 9.971 396 HA GLN 908 HA GLN 908 -7.010 -4.509 9.347 397 HB2 GLN 908 HB2 GLN 908 -6.509 -7.437 9.818 398 HB3 GLN 908 HB1 GLN 908 -5.272 -6.264 9.441 399 HG2 GLN 908 HG2 GLN 908 -5.836 -5.035 11.507 400 HG3 GLN 908 HG1 GLN 908 -6.980 -6.310 11.917 401 HE21 GLN 908 HE21 GLN 908 -3.652 -5.488 11.537 402 HE22 GLN 908 HE22 GLN 908 -2.991 -6.851 12.370 403 H TRP 909 H TRP 909 -5.931 -4.379 7.481 404 HA TRP 909 HA TRP 909 -6.846 -6.108 5.301 405 HD1 TRP 909 HD TRP 909 -8.781 -5.068 2.918 406 HE1 TRP 909 HE1 TRP 909 -7.981 -4.749 0.500 407 HE3 TRP 909 HE3 TRP 909 -4.373 -2.654 3.829 408 HZ2 TRP 909 HZ2 TRP 909 -5.774 -3.607 -0.836 409 HZ3 TRP 909 HZ3 TRP 909 -2.966 -1.993 1.926 410 HH2 TRP 909 HH TRP 909 -3.650 -2.464 -0.359 411 HB2 TRP 909 HB2 TRP 909 -8.029 -3.959 5.213 412 HB3 TRP 909 HB1 TRP 909 -6.494 -3.104 5.246 413 H PHE 910 H PHE 910 -5.163 -7.027 4.301 414 HA PHE 910 HA PHE 910 -2.653 -5.547 4.352 415 HD1 PHE 910 HD2 PHE 910 -1.320 -6.301 6.614 416 HD2 PHE 910 HD1 PHE 910 -4.070 -9.437 5.880 417 HE1 PHE 910 HE2 PHE 910 -1.826 -6.480 9.085 418 HE2 PHE 910 HE1 PHE 910 -4.534 -9.640 8.283 419 HZ PHE 910 HZ PHE 910 -3.398 -8.157 9.879 420 HB2 PHE 910 HB2 PHE 910 -2.746 -8.594 4.131 421 HB3 PHE 910 HB1 PHE 910 -1.384 -7.559 4.482 422 H CYS 911 H CYS 911 -1.436 -5.614 2.442 423 HA CYS 911 HA CYS 911 -3.033 -5.324 0.154 424 HB2 CYS 911 HB2 CYS 911 -0.649 -4.715 -0.544 425 HB3 CYS 911 HB1 CYS 911 -1.461 -3.760 0.718 426 HA PRO 912 HA PRO 912 -1.907 -9.190 -1.897 427 HB2 PRO 912 HB2 PRO 912 -1.111 -8.296 -4.382 428 HB3 PRO 912 HB1 PRO 912 -2.809 -8.412 -3.895 429 HG2 PRO 912 HG2 PRO 912 -0.982 -6.026 -3.783 430 HG3 PRO 912 HG1 PRO 912 -2.616 -6.058 -4.452 431 HD2 PRO 912 HD2 PRO 912 -2.233 -5.115 -2.039 432 HD3 PRO 912 HD1 PRO 912 -3.581 -6.243 -2.299 433 H LYS 913 H LYS 913 0.344 -6.715 -1.378 434 HA LYS 913 HA LYS 913 2.607 -8.294 -2.273 435 HB2 LYS 913 HB2 LYS 913 2.555 -5.582 -0.944 436 HB3 LYS 913 HB1 LYS 913 3.993 -6.379 -1.571 437 HG2 LYS 913 HG2 LYS 913 1.616 -5.404 -3.124 438 HG3 LYS 913 HG1 LYS 913 3.211 -4.669 -3.119 439 HD2 LYS 913 HD2 LYS 913 4.082 -6.851 -4.056 440 HD3 LYS 913 HD1 LYS 913 2.401 -7.359 -4.229 441 HE2 LYS 913 HE2 LYS 913 2.958 -6.482 -6.332 442 HE3 LYS 913 HE1 LYS 913 2.062 -5.213 -5.495 443 HZ1 LYS 913 HZ1 LYS 913 4.166 -4.174 -4.887 444 HZ2 LYS 913 HZ2 LYS 913 3.983 -4.255 -6.556 445 HZ3 LYS 913 HZ3 LYS 913 5.006 -5.329 -5.770 446 H CYS 914 H CYS 914 1.628 -6.736 0.823 447 HA CYS 914 HA CYS 914 3.595 -8.237 2.197 448 HB2 CYS 914 HB2 CYS 914 1.516 -6.294 2.942 449 HB3 CYS 914 HB1 CYS 914 2.344 -6.986 4.253 450 H ALA 915 H ALA 915 0.162 -8.703 1.586 451 HA ALA 915 HA ALA 915 -0.156 -10.592 3.694 452 HB1 ALA 915 HB1 ALA 915 -2.037 -9.420 2.571 453 HB2 ALA 915 HB2 ALA 915 -2.224 -11.177 2.624 454 HB3 ALA 915 HB3 ALA 915 -1.715 -10.381 1.130 455 H ASN 916 H ASN 916 1.166 -10.601 0.539 456 HA ASN 916 HA ASN 916 1.040 -13.489 0.314 457 HB2 ASN 916 HB2 ASN 916 0.597 -11.964 -1.632 458 HB3 ASN 916 HB1 ASN 916 2.287 -11.500 -1.583 459 HD21 ASN 916 HD21 ASN 916 1.229 -14.809 -0.968 460 HD22 ASN 916 HD22 ASN 916 1.855 -15.477 -2.409 461 H LYS 917 H LYS 917 3.003 -11.248 1.707 462 HA LYS 917 HA LYS 917 5.473 -12.757 1.469 463 HB2 LYS 917 HB2 LYS 917 4.659 -10.581 3.400 464 HB3 LYS 917 HB1 LYS 917 6.277 -11.254 3.289 465 HG2 LYS 917 HG2 LYS 917 4.846 -9.749 1.123 466 HG3 LYS 917 HG1 LYS 917 6.037 -9.068 2.228 467 HD2 LYS 917 HD2 LYS 917 7.682 -10.717 1.359 468 HD3 LYS 917 HD1 LYS 917 6.472 -11.203 0.162 469 HE2 LYS 917 HE2 LYS 917 7.960 -9.584 -0.828 470 HE3 LYS 917 HE1 LYS 917 6.353 -8.890 -0.616 471 HZ1 LYS 917 HZ1 LYS 917 8.649 -8.410 1.214 472 HZ2 LYS 917 HZ2 LYS 917 7.131 -7.672 1.335 473 HZ3 LYS 917 HZ3 LYS 917 8.135 -7.368 0.016 474 H ILE 918 H ILE 918 3.005 -12.080 3.870 475 HA ILE 918 HA ILE 918 3.845 -13.889 5.885 476 HB ILE 918 HB ILE 918 1.044 -12.841 5.314 477 HG12 ILE 918 HG12 ILE 918 3.167 -11.674 7.126 478 HG13 ILE 918 HG11 ILE 918 2.751 -11.041 5.542 479 HG21 ILE 918 HG21 ILE 918 1.077 -14.727 6.880 480 HG22 ILE 918 HG22 ILE 918 0.644 -13.234 7.713 481 HG23 ILE 918 HG23 ILE 918 2.272 -13.894 7.877 482 HD11 ILE 918 HD11 ILE 918 1.733 -9.740 7.330 483 HD12 ILE 918 HD12 ILE 918 0.903 -11.182 7.919 484 HD13 ILE 918 HD13 ILE 918 0.506 -10.520 6.336 485 H LYS 919 H LYS 919 1.122 -13.998 3.617 486 HA LYS 919 HA LYS 919 1.052 -16.894 3.804 487 HB2 LYS 919 HB2 LYS 919 -0.825 -14.975 2.438 488 HB3 LYS 919 HB1 LYS 919 -1.120 -16.675 2.761 489 HG2 LYS 919 HG2 LYS 919 -1.212 -16.249 5.142 490 HG3 LYS 919 HG1 LYS 919 -0.779 -14.563 4.878 491 HD2 LYS 919 HD2 LYS 919 -3.306 -15.910 3.896 492 HD3 LYS 919 HD1 LYS 919 -3.200 -14.818 5.275 493 HE2 LYS 919 HE2 LYS 919 -2.463 -13.005 3.785 494 HE3 LYS 919 HE1 LYS 919 -2.561 -14.093 2.406 495 HZ1 LYS 919 HZ1 LYS 919 -4.495 -12.780 2.458 496 HZ2 LYS 919 HZ2 LYS 919 -4.803 -13.107 4.068 497 HZ3 LYS 919 HZ3 LYS 919 -4.957 -14.336 2.916 498 H LYS 920 H LYS 920 3.102 -16.725 2.687 499 HA LYS 920 HA LYS 920 3.296 -15.799 0.024 500 HB2 LYS 920 HB2 LYS 920 5.289 -16.072 1.396 501 HB3 LYS 920 HB1 LYS 920 4.992 -17.778 1.563 502 HG2 LYS 920 HG2 LYS 920 6.849 -17.408 0.092 503 HG3 LYS 920 HG1 LYS 920 5.514 -18.084 -0.829 504 HD2 LYS 920 HD2 LYS 920 5.941 -15.114 -0.771 505 HD3 LYS 920 HD1 LYS 920 6.954 -16.124 -1.792 506 HE2 LYS 920 HE2 LYS 920 3.938 -15.994 -1.889 507 HE3 LYS 920 HE1 LYS 920 5.040 -15.203 -3.012 508 HZ1 LYS 920 HZ1 LYS 920 4.817 -18.168 -2.633 509 HZ2 LYS 920 HZ2 LYS 920 5.834 -17.370 -3.711 510 HZ3 LYS 920 HZ3 LYS 920 4.177 -17.272 -3.912 511 H ASP 921 H ASP 921 3.283 -19.105 1.242 512 HA ASP 921 HA ASP 921 1.471 -19.804 -0.954 513 HB2 ASP 921 HB2 ASP 921 3.973 -21.347 -0.201 514 HB3 ASP 921 HB1 ASP 921 2.694 -22.002 -1.212 515 H LYS 922 H LYS 922 1.929 -19.583 2.211 516 HA LYS 922 HA LYS 922 -0.250 -21.112 3.028 517 HB2 LYS 922 HB2 LYS 922 1.363 -22.993 2.652 518 HB3 LYS 922 HB1 LYS 922 2.505 -22.196 3.721 519 HG2 LYS 922 HG2 LYS 922 1.043 -22.511 5.591 520 HG3 LYS 922 HG1 LYS 922 -0.210 -23.176 4.542 521 HD2 LYS 922 HD2 LYS 922 0.964 -24.979 5.709 522 HD3 LYS 922 HD1 LYS 922 1.272 -25.057 3.979 523 HE2 LYS 922 HE2 LYS 922 3.456 -24.014 4.321 524 HE3 LYS 922 HE1 LYS 922 3.125 -23.876 6.048 525 HZ1 LYS 922 HZ1 LYS 922 3.302 -26.404 4.519 526 HZ2 LYS 922 HZ2 LYS 922 2.988 -26.279 6.159 527 HZ3 LYS 922 HZ3 LYS 922 4.495 -25.809 5.553 528 H LYS 923 H LYS 923 -0.584 -20.605 5.364 529 HA LYS 923 HA LYS 923 1.105 -18.362 6.204 530 HB2 LYS 923 HB2 LYS 923 -1.410 -18.048 6.088 531 HB3 LYS 923 HB1 LYS 923 -1.555 -19.265 7.341 532 HG2 LYS 923 HG2 LYS 923 -0.215 -17.858 8.855 533 HG3 LYS 923 HG1 LYS 923 -0.144 -16.615 7.613 534 HD2 LYS 923 HD2 LYS 923 -2.590 -16.451 7.657 535 HD3 LYS 923 HD1 LYS 923 -2.648 -17.668 8.934 536 HE2 LYS 923 HE2 LYS 923 -1.273 -16.189 10.360 537 HE3 LYS 923 HE1 LYS 923 -1.311 -14.964 9.096 538 HZ1 LYS 923 HZ1 LYS 923 -3.625 -16.019 10.613 539 HZ2 LYS 923 HZ2 LYS 923 -3.767 -14.964 9.325 540 HZ3 LYS 923 HZ3 LYS 923 -2.975 -14.479 10.735 541 H HIS 924 H HIS 924 2.033 -18.412 8.316 542 HA HIS 924 HA HIS 924 2.359 -21.136 9.310 543 HD1 HIS 924 HD1 HIS 924 5.088 -18.051 7.876 544 HD2 HIS 924 HD2 HIS 924 5.075 -22.138 8.593 545 HE1 HIS 924 HE1 HIS 924 6.530 -19.054 6.075 546 HE2 HIS 924 HE2 HIS 924 6.392 -21.559 6.473 547 HB2 HIS 924 HB2 HIS 924 3.930 -18.627 9.980 548 HB3 HIS 924 HB1 HIS 924 4.249 -20.223 10.641 Start of MODEL 20 1 H1 GLY 850 HT1 GLY 850 13.054 17.619 -15.132 2 H2 GLY 850 HT2 GLY 850 12.959 19.294 -15.412 3 H3 GLY 850 HT3 GLY 850 11.660 18.279 -15.802 4 HA2 GLY 850 HA1 GLY 850 11.286 19.509 -13.727 5 HA3 GLY 850 HA2 GLY 850 11.287 17.760 -13.524 6 H SER 851 H SER 851 12.124 20.294 -11.864 7 HA SER 851 HA SER 851 14.847 20.096 -11.288 8 HG SER 851 HG SER 851 14.015 22.796 -10.705 9 HB2 SER 851 HB2 SER 851 12.589 20.850 -9.429 10 HB3 SER 851 HB1 SER 851 14.284 21.326 -9.283 11 H HIS 852 H HIS 852 12.027 18.475 -9.930 12 HA HIS 852 HA HIS 852 13.764 16.364 -8.930 13 HD2 HIS 852 HD2 HIS 852 12.158 19.815 -6.361 14 HE1 HIS 852 HE1 HIS 852 15.977 18.567 -5.030 15 HE2 HIS 852 HE2 HIS 852 14.436 20.529 -5.351 16 HB2 HIS 852 HB2 HIS 852 11.371 17.494 -7.415 17 HB3 HIS 852 HB1 HIS 852 12.313 16.097 -6.934 18 H MET 853 H MET 853 12.516 14.335 -8.811 19 HA MET 853 HA MET 853 10.014 14.428 -10.274 20 HB2 MET 853 HB2 MET 853 11.770 14.058 -11.997 21 HB3 MET 853 HB1 MET 853 12.260 12.600 -11.140 22 HG2 MET 853 HG2 MET 853 10.838 12.083 -13.052 23 HG3 MET 853 HG1 MET 853 10.077 11.604 -11.536 24 HE1 MET 853 HE1 MET 853 7.729 11.381 -12.676 25 HE2 MET 853 HE2 MET 853 8.429 11.813 -14.238 26 HE3 MET 853 HE3 MET 853 6.979 12.636 -13.659 27 H ALA 854 H ALA 854 12.082 11.808 -9.434 28 HA ALA 854 HA ALA 854 10.272 11.027 -7.298 29 HB1 ALA 854 HB1 ALA 854 10.828 9.188 -9.625 30 HB2 ALA 854 HB2 ALA 854 9.312 10.025 -9.350 31 HB3 ALA 854 HB3 ALA 854 9.865 8.809 -8.196 32 H MET 855 H MET 855 11.297 9.890 -5.749 33 HA MET 855 HA MET 855 14.163 9.579 -5.910 34 HB2 MET 855 HB2 MET 855 12.706 10.142 -3.815 35 HB3 MET 855 HB1 MET 855 12.337 8.430 -3.779 36 HG2 MET 855 HG2 MET 855 15.100 9.614 -3.586 37 HG3 MET 855 HG1 MET 855 14.129 9.109 -2.215 38 HE1 MET 855 HE1 MET 855 12.866 6.378 -3.136 39 HE2 MET 855 HE2 MET 855 13.687 6.560 -1.585 40 HE3 MET 855 HE3 MET 855 14.092 5.211 -2.645 41 H ALA 856 H ALA 856 11.276 7.688 -5.903 42 HA ALA 856 HA ALA 856 12.133 5.594 -7.539 43 HB1 ALA 856 HB1 ALA 856 13.480 4.881 -5.639 44 HB2 ALA 856 HB2 ALA 856 12.131 3.749 -5.880 45 HB3 ALA 856 HB3 ALA 856 12.064 4.972 -4.602 46 H TYR 857 H TYR 857 10.321 5.316 -4.669 47 HA TYR 857 HA TYR 857 7.862 5.280 -6.268 48 HD1 TYR 857 HD1 TYR 857 10.213 2.531 -4.466 49 HD2 TYR 857 HD2 TYR 857 6.383 2.602 -6.300 50 HE1 TYR 857 HE1 TYR 857 10.768 0.472 -5.673 51 HE2 TYR 857 HE2 TYR 857 6.915 0.548 -7.523 52 HH TYR 857 HH TYR 857 8.954 -0.702 -8.284 53 HB2 TYR 857 HB2 TYR 857 8.438 3.952 -3.602 54 HB3 TYR 857 HB1 TYR 857 6.853 3.986 -4.356 55 H VAL 858 H VAL 858 9.506 7.419 -4.808 56 HA VAL 858 HA VAL 858 7.233 8.687 -3.448 57 HB VAL 858 HB VAL 858 10.159 9.078 -2.724 58 HG11 VAL 858 HG11 VAL 858 9.308 10.320 -0.781 59 HG12 VAL 858 HG12 VAL 858 7.662 10.110 -1.371 60 HG13 VAL 858 HG13 VAL 858 8.816 11.066 -2.303 61 HG21 VAL 858 HG21 VAL 858 8.028 7.570 -1.220 62 HG22 VAL 858 HG22 VAL 858 9.652 7.909 -0.622 63 HG23 VAL 858 HG23 VAL 858 9.428 6.864 -2.028 64 H ILE 859 H ILE 859 6.657 10.510 -4.257 65 HA ILE 859 HA ILE 859 8.482 12.116 -5.919 66 HB ILE 859 HB ILE 859 5.487 11.588 -6.416 67 HG12 ILE 859 HG12 ILE 859 7.920 10.772 -7.994 68 HG13 ILE 859 HG11 ILE 859 6.825 9.718 -7.104 69 HG21 ILE 859 HG21 ILE 859 6.012 13.890 -7.003 70 HG22 ILE 859 HG22 ILE 859 5.671 12.926 -8.447 71 HG23 ILE 859 HG23 ILE 859 7.333 13.334 -8.034 72 HD11 ILE 859 HD11 ILE 859 6.095 11.365 -9.526 73 HD12 ILE 859 HD12 ILE 859 5.023 10.255 -8.681 74 HD13 ILE 859 HD13 ILE 859 6.437 9.639 -9.541 75 H ARG 860 H ARG 860 7.675 14.507 -5.855 76 HA ARG 860 HA ARG 860 6.291 15.052 -3.339 77 HE ARG 860 HE ARG 860 10.947 15.208 -1.591 78 HB2 ARG 860 HB2 ARG 860 8.323 16.760 -4.807 79 HB3 ARG 860 HB1 ARG 860 7.504 17.185 -3.309 80 HG2 ARG 860 HG2 ARG 860 8.605 15.391 -2.144 81 HG3 ARG 860 HG1 ARG 860 9.355 14.846 -3.644 82 HD2 ARG 860 HD2 ARG 860 10.525 17.013 -3.801 83 HD3 ARG 860 HD1 ARG 860 9.814 17.477 -2.249 84 HH11 ARG 860 HH11 ARG 860 12.289 17.961 -3.389 85 HH12 ARG 860 HH12 ARG 860 13.911 17.568 -3.019 86 HH21 ARG 860 HH21 ARG 860 13.187 14.723 -1.071 87 HH22 ARG 860 HH22 ARG 860 14.426 15.712 -1.698 88 H ASP 861 H ASP 861 4.608 16.457 -3.499 89 HA ASP 861 HA ASP 861 3.546 16.785 -6.172 90 HB2 ASP 861 HB2 ASP 861 1.470 17.363 -5.238 91 HB3 ASP 861 HB1 ASP 861 2.116 16.246 -4.023 92 H GLU 862 H GLU 862 2.177 19.135 -6.044 93 HA GLU 862 HA GLU 862 4.054 21.030 -6.912 94 HB2 GLU 862 HB2 GLU 862 1.176 21.436 -6.107 95 HB3 GLU 862 HB1 GLU 862 2.127 22.482 -7.152 96 HG2 GLU 862 HG2 GLU 862 1.423 19.622 -7.778 97 HG3 GLU 862 HG1 GLU 862 0.540 21.027 -8.361 98 H TRP 863 H TRP 863 2.381 20.485 -3.876 99 HA TRP 863 HA TRP 863 3.284 22.993 -2.782 100 HD1 TRP 863 HD TRP 863 -0.491 20.692 -2.861 101 HE1 TRP 863 HE1 TRP 863 -2.131 22.462 -3.797 102 HE3 TRP 863 HE3 TRP 863 2.134 24.880 -1.758 103 HZ2 TRP 863 HZ2 TRP 863 -2.279 25.268 -4.028 104 HZ3 TRP 863 HZ3 TRP 863 1.191 27.093 -2.365 105 HH2 TRP 863 HH TRP 863 -0.973 27.267 -3.474 106 HB2 TRP 863 HB2 TRP 863 1.690 20.756 -1.538 107 HB3 TRP 863 HB1 TRP 863 2.056 22.291 -0.749 108 H GLY 864 H GLY 864 4.072 19.606 -2.508 109 HA2 GLY 864 HA2 GLY 864 6.529 19.271 -2.105 110 HA3 GLY 864 HA1 GLY 864 6.340 20.383 -0.761 111 H ASN 865 H ASN 865 3.745 18.230 -1.269 112 HA ASN 865 HA ASN 865 4.356 16.797 1.160 113 HB2 ASN 865 HB2 ASN 865 2.068 16.473 -0.813 114 HB3 ASN 865 HB1 ASN 865 2.183 15.688 0.755 115 HD21 ASN 865 HD21 ASN 865 1.553 18.613 -0.950 116 HD22 ASN 865 HD22 ASN 865 0.845 19.475 0.372 117 H GLN 866 H GLN 866 4.676 14.460 1.126 118 HA GLN 866 HA GLN 866 5.942 13.670 -1.252 119 HB2 GLN 866 HB2 GLN 866 6.448 11.653 -0.046 120 HB3 GLN 866 HB1 GLN 866 6.897 13.068 0.887 121 HG2 GLN 866 HG2 GLN 866 4.818 12.787 2.168 122 HG3 GLN 866 HG1 GLN 866 4.513 11.299 1.286 123 HE21 GLN 866 HE21 GLN 866 4.617 10.041 3.116 124 HE22 GLN 866 HE22 GLN 866 6.103 9.640 3.897 125 H ILE 867 H ILE 867 5.290 12.365 -2.628 126 HA ILE 867 HA ILE 867 2.513 11.460 -2.666 127 HB ILE 867 HB ILE 867 4.549 11.891 -4.828 128 HG12 ILE 867 HG12 ILE 867 3.389 13.928 -4.051 129 HG13 ILE 867 HG11 ILE 867 3.020 13.562 -5.731 130 HG21 ILE 867 HG21 ILE 867 3.285 9.850 -5.314 131 HG22 ILE 867 HG22 ILE 867 2.874 11.113 -6.482 132 HG23 ILE 867 HG23 ILE 867 1.777 10.730 -5.145 133 HD11 ILE 867 HD11 ILE 867 0.902 12.589 -5.044 134 HD12 ILE 867 HD12 ILE 867 1.038 14.287 -4.580 135 HD13 ILE 867 HD13 ILE 867 1.239 13.018 -3.364 136 H TRP 868 H TRP 868 2.178 9.433 -2.526 137 HA TRP 868 HA TRP 868 4.366 7.572 -2.491 138 HD1 TRP 868 HD TRP 868 -0.077 6.666 -2.771 139 HE1 TRP 868 HE1 TRP 868 -1.947 8.151 -1.828 140 HE3 TRP 868 HE3 TRP 868 2.645 9.290 0.598 141 HZ2 TRP 868 HZ2 TRP 868 -2.228 10.179 0.121 142 HZ3 TRP 868 HZ3 TRP 868 1.512 10.998 1.981 143 HH2 TRP 868 HH TRP 868 -0.881 11.421 1.729 144 HB2 TRP 868 HB2 TRP 868 2.310 6.101 -1.985 145 HB3 TRP 868 HB1 TRP 868 3.054 7.027 -0.668 146 H ILE 869 H ILE 869 4.566 5.943 -3.845 147 HA ILE 869 HA ILE 869 2.753 5.792 -6.130 148 HB ILE 869 HB ILE 869 5.699 5.138 -5.884 149 HG12 ILE 869 HG12 ILE 869 4.185 7.081 -7.632 150 HG13 ILE 869 HG11 ILE 869 5.254 7.491 -6.291 151 HG21 ILE 869 HG21 ILE 869 3.914 4.564 -8.233 152 HG22 ILE 869 HG22 ILE 869 4.614 3.371 -7.150 153 HG23 ILE 869 HG23 ILE 869 5.665 4.345 -8.184 154 HD11 ILE 869 HD11 ILE 869 7.151 6.626 -7.599 155 HD12 ILE 869 HD12 ILE 869 6.269 7.906 -8.436 156 HD13 ILE 869 HD13 ILE 869 6.023 6.231 -8.907 157 H CYS 870 H CYS 870 1.569 4.092 -6.284 158 HA CYS 870 HA CYS 870 1.432 2.055 -4.368 159 HB2 CYS 870 HB2 CYS 870 -0.480 2.961 -5.605 160 HB3 CYS 870 HB1 CYS 870 0.213 2.426 -7.116 161 HA PRO 871 HA PRO 871 4.836 -0.306 -6.311 162 HB2 PRO 871 HB2 PRO 871 4.090 -2.271 -4.242 163 HB3 PRO 871 HB1 PRO 871 5.651 -1.504 -4.545 164 HG2 PRO 871 HG2 PRO 871 4.128 -0.846 -2.435 165 HG3 PRO 871 HG1 PRO 871 5.140 0.344 -3.272 166 HD2 PRO 871 HD2 PRO 871 2.161 -0.036 -3.427 167 HD3 PRO 871 HD1 PRO 871 3.146 1.434 -3.471 168 H GLY 872 H GLY 872 1.553 -0.985 -6.150 169 HA2 GLY 872 HA2 GLY 872 1.623 -3.656 -7.179 170 HA3 GLY 872 HA1 GLY 872 0.212 -2.612 -7.078 171 H CYS 873 H CYS 873 1.284 -0.406 -8.574 172 HA CYS 873 HA CYS 873 1.243 -1.555 -11.301 173 HB2 CYS 873 HB2 CYS 873 -0.013 0.542 -11.758 174 HB3 CYS 873 HB1 CYS 873 -0.832 -0.582 -10.663 175 H ASN 874 H ASN 874 2.891 0.302 -9.041 176 HA ASN 874 HA ASN 874 4.295 1.896 -8.872 177 HB2 ASN 874 HB2 ASN 874 6.232 2.125 -10.410 178 HB3 ASN 874 HB1 ASN 874 5.952 0.471 -9.935 179 HD21 ASN 874 HD21 ASN 874 5.412 -0.994 -11.493 180 HD22 ASN 874 HD22 ASN 874 5.530 -0.683 -13.179 181 H LYS 875 H LYS 875 1.833 2.607 -9.750 182 HA LYS 875 HA LYS 875 2.409 5.111 -11.159 183 HB2 LYS 875 HB2 LYS 875 -0.225 3.849 -10.390 184 HB3 LYS 875 HB1 LYS 875 -0.029 5.389 -11.213 185 HG2 LYS 875 HG2 LYS 875 0.891 4.294 -13.140 186 HG3 LYS 875 HG1 LYS 875 0.874 2.740 -12.299 187 HD2 LYS 875 HD2 LYS 875 -1.565 2.860 -12.127 188 HD3 LYS 875 HD1 LYS 875 -1.545 4.430 -12.924 189 HE2 LYS 875 HE2 LYS 875 -0.623 3.395 -14.931 190 HE3 LYS 875 HE1 LYS 875 -0.649 1.822 -14.135 191 HZ1 LYS 875 HZ1 LYS 875 -3.057 2.022 -13.942 192 HZ2 LYS 875 HZ2 LYS 875 -2.550 2.097 -15.544 193 HZ3 LYS 875 HZ3 LYS 875 -3.003 3.514 -14.756 194 HA PRO 876 HA PRO 876 2.263 7.292 -7.233 195 HB2 PRO 876 HB2 PRO 876 1.935 9.775 -8.246 196 HB3 PRO 876 HB1 PRO 876 3.491 8.952 -8.232 197 HG2 PRO 876 HG2 PRO 876 1.539 9.325 -10.460 198 HG3 PRO 876 HG1 PRO 876 3.305 9.329 -10.517 199 HD2 PRO 876 HD2 PRO 876 1.775 7.191 -11.302 200 HD3 PRO 876 HD1 PRO 876 3.420 7.041 -10.681 201 H ASP 877 H ASP 877 0.955 8.808 -6.085 202 HA ASP 877 HA ASP 877 -1.853 8.421 -6.355 203 HB2 ASP 877 HB2 ASP 877 -0.968 8.638 -4.131 204 HB3 ASP 877 HB1 ASP 877 -0.156 10.137 -4.522 205 H ASP 878 H ASP 878 -3.408 9.876 -6.952 206 HA ASP 878 HA ASP 878 -2.507 12.346 -8.322 207 HB2 ASP 878 HB2 ASP 878 -4.948 10.626 -8.894 208 HB3 ASP 878 HB1 ASP 878 -4.646 12.185 -9.636 209 H GLY 879 H GLY 879 -3.782 11.283 -5.562 210 HA2 GLY 879 HA2 GLY 879 -4.829 12.580 -3.915 211 HA3 GLY 879 HA1 GLY 879 -5.592 13.557 -5.186 212 H SER 880 H SER 880 -5.260 10.103 -4.892 213 HA SER 880 HA SER 880 -8.124 9.831 -5.501 214 HG SER 880 HG SER 880 -6.763 10.079 -7.311 215 HB2 SER 880 HB2 SER 880 -5.846 7.897 -5.926 216 HB3 SER 880 HB1 SER 880 -7.479 7.786 -6.591 217 HA PRO 881 HA PRO 881 -8.556 7.475 -1.709 218 HB2 PRO 881 HB2 PRO 881 -10.085 5.293 -2.731 219 HB3 PRO 881 HB1 PRO 881 -10.681 6.706 -1.881 220 HG2 PRO 881 HG2 PRO 881 -11.141 6.143 -4.578 221 HG3 PRO 881 HG1 PRO 881 -11.395 7.700 -3.775 222 HD2 PRO 881 HD2 PRO 881 -9.186 6.809 -5.536 223 HD3 PRO 881 HD1 PRO 881 -9.811 8.444 -5.264 224 H MET 882 H MET 882 -6.875 6.440 -0.994 225 HA MET 882 HA MET 882 -6.107 4.030 -2.409 226 HB2 MET 882 HB2 MET 882 -4.220 6.055 -1.160 227 HB3 MET 882 HB1 MET 882 -3.746 4.489 -1.821 228 HG2 MET 882 HG2 MET 882 -4.617 5.190 -4.027 229 HG3 MET 882 HG1 MET 882 -4.984 6.769 -3.354 230 HE1 MET 882 HE1 MET 882 -0.698 5.141 -3.996 231 HE2 MET 882 HE2 MET 882 -2.165 4.245 -4.401 232 HE3 MET 882 HE3 MET 882 -1.736 4.528 -2.714 233 H ILE 883 H ILE 883 -4.913 2.557 -0.962 234 HA ILE 883 HA ILE 883 -6.095 2.780 1.679 235 HB ILE 883 HB ILE 883 -7.405 1.198 0.336 236 HG12 ILE 883 HG12 ILE 883 -5.763 -0.428 2.272 237 HG13 ILE 883 HG11 ILE 883 -6.914 0.791 2.806 238 HG21 ILE 883 HG21 ILE 883 -5.839 0.549 -1.338 239 HG22 ILE 883 HG22 ILE 883 -6.485 -0.875 -0.546 240 HG23 ILE 883 HG23 ILE 883 -4.867 -0.306 -0.147 241 HD11 ILE 883 HD11 ILE 883 -8.708 -0.421 1.690 242 HD12 ILE 883 HD12 ILE 883 -7.878 -1.433 2.875 243 HD13 ILE 883 HD13 ILE 883 -7.553 -1.641 1.157 244 H GLY 884 H GLY 884 -4.859 2.349 3.352 245 HA2 GLY 884 HA2 GLY 884 -2.050 1.805 2.780 246 HA3 GLY 884 HA1 GLY 884 -2.691 2.533 4.251 247 H CYS 885 H CYS 885 -0.953 0.197 3.749 248 HA CYS 885 HA CYS 885 -2.407 -2.161 4.411 249 HB2 CYS 885 HB2 CYS 885 -0.252 -2.194 3.190 250 HB3 CYS 885 HB1 CYS 885 0.528 -1.515 4.613 251 H ASP 886 H ASP 886 -1.881 -3.373 6.375 252 HA ASP 886 HA ASP 886 -2.086 -1.671 8.716 253 HB2 ASP 886 HB2 ASP 886 -3.508 -3.696 8.586 254 HB3 ASP 886 HB1 ASP 886 -2.058 -4.697 8.548 255 H ASP 887 H ASP 887 0.209 -3.549 7.003 256 HA ASP 887 HA ASP 887 2.149 -3.301 9.188 257 HB2 ASP 887 HB2 ASP 887 2.102 -5.477 8.081 258 HB3 ASP 887 HB1 ASP 887 2.413 -4.712 6.525 259 H CYS 888 H CYS 888 1.730 -2.415 5.791 260 HA CYS 888 HA CYS 888 4.098 -0.772 5.883 261 HB2 CYS 888 HB2 CYS 888 2.047 -0.814 3.649 262 HB3 CYS 888 HB1 CYS 888 3.740 -0.386 3.579 263 H ASP 889 H ASP 889 4.051 1.427 5.840 264 HA ASP 889 HA ASP 889 1.500 2.715 6.555 265 HB2 ASP 889 HB2 ASP 889 2.817 4.633 7.374 266 HB3 ASP 889 HB1 ASP 889 3.350 3.148 8.140 267 H ASP 890 H ASP 890 2.580 1.846 3.958 268 HA ASP 890 HA ASP 890 2.512 4.405 2.565 269 HB2 ASP 890 HB2 ASP 890 4.558 2.900 2.345 270 HB3 ASP 890 HB1 ASP 890 3.526 1.803 1.436 271 H TRP 891 H TRP 891 1.511 4.000 0.218 272 HA TRP 891 HA TRP 891 -1.098 2.823 0.892 273 HD1 TRP 891 HD TRP 891 0.784 6.289 1.554 274 HE1 TRP 891 HE1 TRP 891 -0.224 7.409 3.636 275 HE3 TRP 891 HE3 TRP 891 -4.037 4.732 1.060 276 HZ2 TRP 891 HZ2 TRP 891 -2.728 7.619 4.890 277 HZ3 TRP 891 HZ3 TRP 891 -5.676 5.435 2.709 278 HH2 TRP 891 HH TRP 891 -5.036 6.859 4.603 279 HB2 TRP 891 HB2 TRP 891 -0.504 5.311 -0.700 280 HB3 TRP 891 HB1 TRP 891 -2.105 4.631 -0.431 281 H TYR 892 H TYR 892 -2.298 1.882 -0.684 282 HA TYR 892 HA TYR 892 -1.087 1.416 -3.338 283 HD1 TYR 892 HD2 TYR 892 -1.003 -0.333 0.111 284 HD2 TYR 892 HD1 TYR 892 -0.258 -1.733 -3.832 285 HE1 TYR 892 HE2 TYR 892 1.026 -1.442 0.902 286 HE2 TYR 892 HE1 TYR 892 1.779 -2.869 -3.047 287 HH TYR 892 HH TYR 892 2.310 -3.439 0.164 288 HB2 TYR 892 HB2 TYR 892 -2.792 -0.441 -1.648 289 HB3 TYR 892 HB1 TYR 892 -2.336 -0.753 -3.317 290 H HIS 893 H HIS 893 -2.616 1.380 -5.027 291 HA HIS 893 HA HIS 893 -4.807 3.243 -4.593 292 HD2 HIS 893 HD2 HIS 893 -4.371 5.574 -6.310 293 HE1 HIS 893 HE1 HIS 893 -0.825 4.756 -8.456 294 HE2 HIS 893 HE2 HIS 893 -2.090 6.488 -7.201 295 HB2 HIS 893 HB2 HIS 893 -4.062 1.727 -7.095 296 HB3 HIS 893 HB1 HIS 893 -5.379 2.873 -7.008 297 H TRP 894 H TRP 894 -6.968 2.887 -4.551 298 HA TRP 894 HA TRP 894 -7.992 0.422 -3.853 299 HD1 TRP 894 HD TRP 894 -7.553 1.732 -2.043 300 HE1 TRP 894 HE1 TRP 894 -8.645 2.321 0.249 301 HE3 TRP 894 HE3 TRP 894 -12.214 3.041 -3.606 302 HZ2 TRP 894 HZ2 TRP 894 -11.032 3.124 1.230 303 HZ3 TRP 894 HZ3 TRP 894 -13.865 3.740 -1.904 304 HH2 TRP 894 HH TRP 894 -13.276 3.796 0.462 305 HB2 TRP 894 HB2 TRP 894 -9.250 2.974 -4.763 306 HB3 TRP 894 HB1 TRP 894 -10.253 1.534 -4.644 307 HA PRO 895 HA PRO 895 -9.479 -0.268 -8.470 308 HB2 PRO 895 HB2 PRO 895 -7.754 0.822 -10.323 309 HB3 PRO 895 HB1 PRO 895 -9.302 1.536 -9.860 310 HG2 PRO 895 HG2 PRO 895 -6.553 2.177 -8.858 311 HG3 PRO 895 HG1 PRO 895 -7.855 3.287 -9.326 312 HD2 PRO 895 HD2 PRO 895 -7.406 2.793 -6.760 313 HD3 PRO 895 HD1 PRO 895 -9.067 2.876 -7.377 314 H CYS 896 H CYS 896 -6.220 -0.145 -7.225 315 HA CYS 896 HA CYS 896 -5.213 -2.117 -9.091 316 HB2 CYS 896 HB2 CYS 896 -4.024 -0.878 -6.631 317 HB3 CYS 896 HB1 CYS 896 -3.149 -1.965 -7.700 318 H VAL 897 H VAL 897 -6.767 -2.066 -6.085 319 HA VAL 897 HA VAL 897 -6.100 -4.883 -5.725 320 HB VAL 897 HB VAL 897 -6.555 -4.496 -3.240 321 HG11 VAL 897 HG11 VAL 897 -4.269 -4.732 -4.138 322 HG12 VAL 897 HG12 VAL 897 -4.301 -3.541 -2.836 323 HG13 VAL 897 HG13 VAL 897 -4.239 -3.010 -4.510 324 HG21 VAL 897 HG21 VAL 897 -7.727 -2.341 -3.497 325 HG22 VAL 897 HG22 VAL 897 -6.224 -1.622 -4.078 326 HG23 VAL 897 HG23 VAL 897 -6.336 -2.216 -2.418 327 H GLY 898 H GLY 898 -8.329 -3.213 -7.009 328 HA2 GLY 898 HA2 GLY 898 -10.522 -3.573 -7.530 329 HA3 GLY 898 HA1 GLY 898 -10.335 -5.145 -6.770 330 H ILE 899 H ILE 899 -10.219 -1.854 -5.461 331 HA ILE 899 HA ILE 899 -12.352 -2.651 -3.611 332 HB ILE 899 HB ILE 899 -9.951 -0.882 -3.124 333 HG12 ILE 899 HG12 ILE 899 -10.872 -3.477 -1.890 334 HG13 ILE 899 HG11 ILE 899 -9.516 -3.277 -2.981 335 HG21 ILE 899 HG21 ILE 899 -12.279 -1.389 -1.278 336 HG22 ILE 899 HG22 ILE 899 -11.890 0.141 -2.060 337 HG23 ILE 899 HG23 ILE 899 -10.796 -0.532 -0.852 338 HD11 ILE 899 HD11 ILE 899 -9.769 -2.144 -0.218 339 HD12 ILE 899 HD12 ILE 899 -8.396 -1.888 -1.294 340 HD13 ILE 899 HD13 ILE 899 -8.761 -3.513 -0.692 341 H MET 900 H MET 900 -14.054 -1.357 -3.402 342 HA MET 900 HA MET 900 -13.979 1.266 -4.740 343 HB2 MET 900 HB2 MET 900 -16.321 -0.639 -4.631 344 HB3 MET 900 HB1 MET 900 -16.417 1.008 -5.221 345 HG2 MET 900 HG2 MET 900 -14.726 0.396 -6.957 346 HG3 MET 900 HG1 MET 900 -14.869 -1.273 -6.411 347 HE1 MET 900 HE1 MET 900 -16.776 -1.325 -9.829 348 HE2 MET 900 HE2 MET 900 -15.482 -2.044 -8.873 349 HE3 MET 900 HE3 MET 900 -15.337 -0.381 -9.435 350 H ALA 901 H ALA 901 -14.435 -0.369 -1.871 351 HA ALA 901 HA ALA 901 -15.108 2.040 -0.447 352 HB1 ALA 901 HB1 ALA 901 -16.988 0.990 0.754 353 HB2 ALA 901 HB2 ALA 901 -16.870 -0.416 -0.309 354 HB3 ALA 901 HB3 ALA 901 -17.341 1.151 -0.970 355 H ALA 902 H ALA 902 -14.175 1.926 1.602 356 HA ALA 902 HA ALA 902 -11.999 0.326 2.005 357 HB1 ALA 902 HB1 ALA 902 -12.365 2.490 3.091 358 HB2 ALA 902 HB2 ALA 902 -11.864 1.243 4.233 359 HB3 ALA 902 HB3 ALA 902 -13.555 1.735 4.155 360 HA PRO 903 HA PRO 903 -14.099 -3.318 3.583 361 HB2 PRO 903 HB2 PRO 903 -12.883 -5.059 2.131 362 HB3 PRO 903 HB1 PRO 903 -13.937 -3.851 1.378 363 HG2 PRO 903 HG2 PRO 903 -10.927 -3.896 1.526 364 HG3 PRO 903 HG1 PRO 903 -11.958 -3.472 0.145 365 HD2 PRO 903 HD2 PRO 903 -10.874 -1.452 1.898 366 HD3 PRO 903 HD1 PRO 903 -12.241 -1.369 0.837 367 HA PRO 904 HA PRO 904 -10.806 -5.264 6.032 368 HB2 PRO 904 HB2 PRO 904 -12.523 -6.426 7.767 369 HB3 PRO 904 HB1 PRO 904 -11.928 -4.784 8.003 370 HG2 PRO 904 HG2 PRO 904 -14.622 -5.689 7.302 371 HG3 PRO 904 HG1 PRO 904 -14.098 -4.076 7.798 372 HD2 PRO 904 HD2 PRO 904 -14.642 -5.071 5.104 373 HD3 PRO 904 HD1 PRO 904 -14.313 -3.408 5.628 374 H GLU 905 H GLU 905 -10.336 -7.582 6.053 375 HA GLU 905 HA GLU 905 -12.081 -8.979 4.235 376 HB2 GLU 905 HB2 GLU 905 -10.333 -10.785 4.228 377 HB3 GLU 905 HB1 GLU 905 -9.821 -9.204 3.661 378 HG2 GLU 905 HG2 GLU 905 -8.711 -8.802 5.799 379 HG3 GLU 905 HG1 GLU 905 -9.215 -10.405 6.348 380 H GLU 906 H GLU 906 -11.445 -8.883 7.503 381 HA GLU 906 HA GLU 906 -13.388 -9.845 8.822 382 HB2 GLU 906 HB2 GLU 906 -13.069 -12.214 9.263 383 HB3 GLU 906 HB1 GLU 906 -13.284 -11.931 7.524 384 HG2 GLU 906 HG2 GLU 906 -10.961 -12.228 7.111 385 HG3 GLU 906 HG1 GLU 906 -10.608 -12.337 8.829 386 H MET 907 H MET 907 -10.260 -9.581 7.999 387 HA MET 907 HA MET 907 -9.229 -9.163 10.682 388 HB2 MET 907 HB2 MET 907 -8.462 -11.397 9.759 389 HB3 MET 907 HB1 MET 907 -7.839 -10.563 8.350 390 HG2 MET 907 HG2 MET 907 -6.248 -9.354 9.775 391 HG3 MET 907 HG1 MET 907 -6.892 -10.195 11.178 392 HE1 MET 907 HE1 MET 907 -5.785 -13.889 10.492 393 HE2 MET 907 HE2 MET 907 -7.323 -13.154 10.050 394 HE3 MET 907 HE3 MET 907 -6.593 -12.793 11.612 395 H GLN 908 H GLN 908 -7.243 -7.780 10.342 396 HA GLN 908 HA GLN 908 -7.776 -5.443 9.021 397 HB2 GLN 908 HB2 GLN 908 -5.103 -6.607 9.810 398 HB3 GLN 908 HB1 GLN 908 -5.323 -4.958 9.260 399 HG2 GLN 908 HG2 GLN 908 -5.163 -4.952 11.655 400 HG3 GLN 908 HG1 GLN 908 -6.817 -4.565 11.198 401 HE21 GLN 908 HE21 GLN 908 -4.742 -6.989 12.549 402 HE22 GLN 908 HE22 GLN 908 -5.968 -7.932 13.298 403 H TRP 909 H TRP 909 -6.170 -4.518 7.356 404 HA TRP 909 HA TRP 909 -6.501 -6.275 5.044 405 HD1 TRP 909 HD TRP 909 -8.394 -5.332 2.687 406 HE1 TRP 909 HE1 TRP 909 -7.532 -4.999 0.286 407 HE3 TRP 909 HE3 TRP 909 -4.156 -2.694 3.704 408 HZ2 TRP 909 HZ2 TRP 909 -5.347 -3.769 -1.008 409 HZ3 TRP 909 HZ3 TRP 909 -2.716 -1.976 1.825 410 HH2 TRP 909 HH TRP 909 -3.310 -2.510 -0.479 411 HB2 TRP 909 HB2 TRP 909 -7.773 -4.141 4.993 412 HB3 TRP 909 HB1 TRP 909 -6.252 -3.261 5.077 413 H PHE 910 H PHE 910 -4.862 -6.861 3.883 414 HA PHE 910 HA PHE 910 -2.283 -5.603 4.349 415 HD1 PHE 910 HD1 PHE 910 -0.711 -6.550 6.360 416 HD2 PHE 910 HD2 PHE 910 -4.095 -9.108 5.972 417 HE1 PHE 910 HE1 PHE 910 -0.971 -6.582 8.794 418 HE2 PHE 910 HE2 PHE 910 -4.360 -9.144 8.393 419 HZ PHE 910 HZ PHE 910 -2.821 -7.863 9.819 420 HB2 PHE 910 HB2 PHE 910 -2.787 -8.588 4.071 421 HB3 PHE 910 HB1 PHE 910 -1.208 -7.827 4.245 422 H CYS 911 H CYS 911 -1.084 -5.319 2.565 423 HA CYS 911 HA CYS 911 -2.415 -5.099 0.104 424 HB2 CYS 911 HB2 CYS 911 -0.149 -4.363 -0.598 425 HB3 CYS 911 HB1 CYS 911 -0.783 -3.530 0.811 426 HA PRO 912 HA PRO 912 -1.292 -8.814 -2.196 427 HB2 PRO 912 HB2 PRO 912 0.244 -7.633 -4.241 428 HB3 PRO 912 HB1 PRO 912 -1.499 -7.898 -4.283 429 HG2 PRO 912 HG2 PRO 912 0.022 -5.424 -3.547 430 HG3 PRO 912 HG1 PRO 912 -1.484 -5.563 -4.467 431 HD2 PRO 912 HD2 PRO 912 -1.555 -4.775 -1.966 432 HD3 PRO 912 HD1 PRO 912 -2.753 -5.944 -2.552 433 H LYS 913 H LYS 913 1.086 -6.546 -1.111 434 HA LYS 913 HA LYS 913 3.329 -8.269 -1.605 435 HB2 LYS 913 HB2 LYS 913 3.121 -5.676 -0.067 436 HB3 LYS 913 HB1 LYS 913 4.622 -6.525 -0.381 437 HG2 LYS 913 HG2 LYS 913 2.889 -5.718 -2.677 438 HG3 LYS 913 HG1 LYS 913 3.868 -4.497 -1.887 439 HD2 LYS 913 HD2 LYS 913 5.088 -5.315 -3.795 440 HD3 LYS 913 HD1 LYS 913 5.882 -5.931 -2.355 441 HE2 LYS 913 HE2 LYS 913 4.868 -8.110 -2.700 442 HE3 LYS 913 HE1 LYS 913 3.966 -7.503 -4.098 443 HZ1 LYS 913 HZ1 LYS 913 5.942 -8.721 -4.763 444 HZ2 LYS 913 HZ2 LYS 913 6.914 -7.702 -3.836 445 HZ3 LYS 913 HZ3 LYS 913 6.129 -7.090 -5.173 446 H CYS 914 H CYS 914 1.613 -7.069 1.329 447 HA CYS 914 HA CYS 914 3.077 -8.891 2.951 448 HB2 CYS 914 HB2 CYS 914 0.753 -7.094 3.584 449 HB3 CYS 914 HB1 CYS 914 1.475 -8.170 4.775 450 H ALA 915 H ALA 915 -0.005 -9.072 1.353 451 HA ALA 915 HA ALA 915 -0.969 -11.320 2.761 452 HB1 ALA 915 HB1 ALA 915 -2.384 -9.935 1.341 453 HB2 ALA 915 HB2 ALA 915 -2.467 -11.634 0.867 454 HB3 ALA 915 HB3 ALA 915 -1.512 -10.490 -0.087 455 H ASN 916 H ASN 916 1.385 -10.915 0.319 456 HA ASN 916 HA ASN 916 1.575 -13.564 -0.678 457 HB2 ASN 916 HB2 ASN 916 2.535 -11.551 -1.795 458 HB3 ASN 916 HB1 ASN 916 3.697 -11.408 -0.491 459 HD21 ASN 916 HD21 ASN 916 2.658 -14.389 -2.128 460 HD22 ASN 916 HD22 ASN 916 4.205 -14.744 -2.779 461 H LYS 917 H LYS 917 2.743 -11.902 2.125 462 HA LYS 917 HA LYS 917 4.736 -13.819 2.952 463 HB2 LYS 917 HB2 LYS 917 3.343 -11.681 4.577 464 HB3 LYS 917 HB1 LYS 917 4.855 -12.478 4.966 465 HG2 LYS 917 HG2 LYS 917 6.003 -11.315 3.231 466 HG3 LYS 917 HG1 LYS 917 4.486 -10.707 2.556 467 HD2 LYS 917 HD2 LYS 917 4.093 -9.483 4.700 468 HD3 LYS 917 HD1 LYS 917 5.673 -10.017 5.248 469 HE2 LYS 917 HE2 LYS 917 6.774 -8.773 3.515 470 HE3 LYS 917 HE1 LYS 917 5.234 -8.392 2.747 471 HZ1 LYS 917 HZ1 LYS 917 6.023 -7.465 5.470 472 HZ2 LYS 917 HZ2 LYS 917 4.615 -7.056 4.619 473 HZ3 LYS 917 HZ3 LYS 917 6.086 -6.513 4.073 474 H ILE 918 H ILE 918 1.421 -12.961 3.686 475 HA ILE 918 HA ILE 918 0.926 -14.559 5.938 476 HB ILE 918 HB ILE 918 -1.055 -13.658 3.829 477 HG12 ILE 918 HG12 ILE 918 0.165 -11.744 4.752 478 HG13 ILE 918 HG11 ILE 918 -1.508 -11.733 5.285 479 HG21 ILE 918 HG21 ILE 918 -2.011 -15.387 5.221 480 HG22 ILE 918 HG22 ILE 918 -2.755 -13.832 5.597 481 HG23 ILE 918 HG23 ILE 918 -1.539 -14.514 6.678 482 HD11 ILE 918 HD11 ILE 918 0.880 -12.596 6.907 483 HD12 ILE 918 HD12 ILE 918 -0.797 -12.618 7.459 484 HD13 ILE 918 HD13 ILE 918 -0.016 -11.083 7.068 485 H LYS 919 H LYS 919 0.350 -15.201 2.494 486 HA LYS 919 HA LYS 919 -0.728 -17.815 3.011 487 HB2 LYS 919 HB2 LYS 919 0.086 -16.485 0.424 488 HB3 LYS 919 HB1 LYS 919 -0.824 -17.977 0.552 489 HG2 LYS 919 HG2 LYS 919 -2.644 -16.734 1.679 490 HG3 LYS 919 HG1 LYS 919 -1.732 -15.243 1.441 491 HD2 LYS 919 HD2 LYS 919 -1.778 -15.659 -1.005 492 HD3 LYS 919 HD1 LYS 919 -2.772 -17.080 -0.705 493 HE2 LYS 919 HE2 LYS 919 -4.175 -15.207 -1.369 494 HE3 LYS 919 HE1 LYS 919 -4.503 -15.659 0.301 495 HZ1 LYS 919 HZ1 LYS 919 -3.174 -13.765 1.040 496 HZ2 LYS 919 HZ2 LYS 919 -4.391 -13.275 -0.009 497 HZ3 LYS 919 HZ3 LYS 919 -2.821 -13.368 -0.577 498 H LYS 920 H LYS 920 0.315 -19.708 1.522 499 HA LYS 920 HA LYS 920 3.194 -19.589 1.959 500 HB2 LYS 920 HB2 LYS 920 1.452 -22.049 1.964 501 HB3 LYS 920 HB1 LYS 920 3.168 -21.964 2.259 502 HG2 LYS 920 HG2 LYS 920 2.371 -22.233 4.395 503 HG3 LYS 920 HG1 LYS 920 2.414 -20.472 4.298 504 HD2 LYS 920 HD2 LYS 920 0.057 -20.381 3.825 505 HD3 LYS 920 HD1 LYS 920 -0.024 -22.138 3.683 506 HE2 LYS 920 HE2 LYS 920 0.708 -22.289 6.049 507 HE3 LYS 920 HE1 LYS 920 0.552 -20.536 6.164 508 HZ1 LYS 920 HZ1 LYS 920 -1.399 -21.657 6.987 509 HZ2 LYS 920 HZ2 LYS 920 -1.626 -22.454 5.536 510 HZ3 LYS 920 HZ3 LYS 920 -1.815 -20.784 5.618 511 H ASP 921 H ASP 921 4.210 -19.580 0.073 512 HA ASP 921 HA ASP 921 2.931 -20.466 -2.373 513 HB2 ASP 921 HB2 ASP 921 4.481 -18.604 -2.489 514 HB3 ASP 921 HB1 ASP 921 5.768 -19.563 -1.773 515 H LYS 922 H LYS 922 5.486 -21.439 -0.303 516 HA LYS 922 HA LYS 922 5.143 -24.251 -0.981 517 HB2 LYS 922 HB2 LYS 922 7.033 -23.459 -2.358 518 HB3 LYS 922 HB1 LYS 922 7.771 -22.740 -0.946 519 HG2 LYS 922 HG2 LYS 922 8.303 -24.862 -0.036 520 HG3 LYS 922 HG1 LYS 922 7.326 -25.697 -1.244 521 HD2 LYS 922 HD2 LYS 922 9.736 -25.817 -1.767 522 HD3 LYS 922 HD1 LYS 922 8.831 -24.972 -3.016 523 HE2 LYS 922 HE2 LYS 922 10.890 -23.802 -2.600 524 HE3 LYS 922 HE1 LYS 922 9.553 -22.814 -2.027 525 HZ1 LYS 922 HZ1 LYS 922 11.406 -24.442 -0.373 526 HZ2 LYS 922 HZ2 LYS 922 10.061 -23.678 0.249 527 HZ3 LYS 922 HZ3 LYS 922 11.313 -22.763 -0.425 528 H LYS 923 H LYS 923 6.639 -21.766 0.945 529 HA LYS 923 HA LYS 923 5.644 -22.840 3.396 530 HB2 LYS 923 HB2 LYS 923 7.848 -22.652 4.512 531 HB3 LYS 923 HB1 LYS 923 7.955 -23.827 3.220 532 HG2 LYS 923 HG2 LYS 923 9.095 -22.193 1.802 533 HG3 LYS 923 HG1 LYS 923 8.932 -20.976 3.070 534 HD2 LYS 923 HD2 LYS 923 10.246 -22.449 4.581 535 HD3 LYS 923 HD1 LYS 923 10.485 -23.556 3.230 536 HE2 LYS 923 HE2 LYS 923 11.617 -21.757 1.994 537 HE3 LYS 923 HE1 LYS 923 11.400 -20.683 3.375 538 HZ1 LYS 923 HZ1 LYS 923 13.602 -21.604 3.453 539 HZ2 LYS 923 HZ2 LYS 923 12.992 -23.181 3.317 540 HZ3 LYS 923 HZ3 LYS 923 12.713 -22.307 4.703 541 H HIS 924 H HIS 924 7.096 -20.755 4.867 542 HA HIS 924 HA HIS 924 5.983 -18.443 3.494 543 HD1 HIS 924 HD1 HIS 924 3.987 -16.817 5.176 544 HD2 HIS 924 HD2 HIS 924 4.969 -20.256 7.276 545 HE1 HIS 924 HE1 HIS 924 1.864 -17.596 6.171 546 HE2 HIS 924 HE2 HIS 924 2.618 -19.315 7.804 547 HB2 HIS 924 HB2 HIS 924 7.025 -18.738 6.321 548 HB3 HIS 924 HB1 HIS 924 6.571 -17.197 5.612
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