NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 846 M 4.4541 8.1476 120.3487 55.3323 34.4974 177.5697 847 K 3.8790 8.0344 118.9152 59.1317 32.5240 175.5325 848 E 3.9345 8.0595 120.6571 58.6549 29.7657 179.7392 849 Q 3.9901 8.0140 117.2954 59.4589 28.6916 178.1500 850 L 3.6377 7.5225 121.5444 57.4445 41.8521 179.0532 851 K 3.8728 7.7347 119.5196 59.5619 32.4252 178.5034 852 Q 3.9294 9.4311 119.9128 59.5764 28.7584 178.2063 853 M 4.0790 9.1322 120.3014 58.1543 31.7321 177.6585 854 D 4.2844 7.9369 118.3767 57.1703 41.4230 178.2040 855 K 3.9236 8.1941 120.1302 59.8361 32.1799 178.2574 856 M 4.0217 7.9315 118.1406 58.8128 32.0213 178.3675 857 K 3.9872 8.2174 118.6864 59.3877 32.2020 179.1494 858 E 4.0728 7.8753 117.9313 59.0398 29.3748 179.0953 859 D 4.3318 8.0209 119.3402 57.0737 40.9583 178.4119 860 L 3.8982 8.1998 120.8717 58.1857 42.1602 178.7361 861 A 4.0452 8.0611 120.6813 55.0310 18.1927 179.6208 862 K 3.8521 8.0167 117.9063 60.1345 32.3699 179.1810 863 T 3.8672 8.3204 116.3988 66.6901 68.2706 176.5203 864 E 3.9330 8.7327 120.7752 59.4616 29.5931 179.2875 865 R 3.8870 8.0166 118.7137 59.5800 30.1010 178.6280 866 I 3.9781 8.0351 119.7351 63.9297 37.1000 178.2575 867 K 3.9449 8.1829 120.8792 59.3911 32.0400 178.8397 868 K 4.1710 8.2930 120.0163 59.4030 32.0749 178.7260 869 E 3.9837 8.0954 119.0200 59.3790 29.3172 179.2956 870 L 4.0783 8.0154 119.0349 57.6480 41.5547 179.4173 871 E 3.9545 8.2663 118.5366 59.4446 29.4158 179.1643 872 E 3.9331 8.1475 118.4958 59.5283 29.5345 179.1591 873 Q 3.9347 8.5135 119.8550 59.1969 29.1444 177.7948 874 N 4.2478 8.7533 118.4815 56.8461 39.0392 176.9254 875 V 3.6050 8.0393 119.6579 66.3679 31.5992 178.1364 876 T 3.9032 8.1287 115.5534 66.5516 68.1956 176.7125 877 L 3.9974 8.1414 121.0259 57.7593 41.7726 179.5149 878 L 4.0477 7.9039 119.0699 57.7670 41.5680 179.4263 879 E 4.0908 8.2165 117.2752 59.2198 29.5571 179.2319 880 Q 4.0026 8.1587 119.3980 58.6045 28.8212 178.3886 881 K 3.7865 8.4159 120.0430 59.3832 32.0902 178.8234 882 N 4.5489 8.1376 116.9340 56.8821 38.8505 176.6339 883 D 4.4005 8.0232 120.2615 57.4631 40.8308 178.8378 884 L 3.9441 8.0288 119.4728 57.7065 41.5845 179.5846 885 F 4.4395 8.2545 118.0222 60.5319 38.3313 177.9518 886 G 3.6833 8.3797 105.4353 47.9583 0.0000 176.0199 887 S 4.2314 8.2961 117.6061 61.5505 62.7769 176.6613 888 M 4.1151 8.4477 121.8745 58.1859 31.6061 178.6950 889 K 4.1386 8.1367 119.8215 59.5809 32.3359 178.9805 890 Q 4.0419 7.7742 117.7707 58.8461 28.6345 178.5531 891 L 4.0709 7.9425 120.1419 57.6218 41.6658 179.3407 892 E 4.0438 8.5761 119.1225 59.4961 29.2946 179.1282 893 D 4.3799 8.0044 118.7154 56.9880 40.7669 178.6835 894 K 3.8869 7.9521 120.2652 59.5589 32.2601 179.0017 895 V 3.5430 8.2474 118.8921 65.9200 31.3468 177.6827 896 E 3.8992 8.1425 118.2888 59.3962 29.3756 178.6181 897 E 3.8763 8.3716 119.3477 59.7154 29.6882 179.1585 898 L 3.9955 8.1681 118.8474 57.4333 41.4930 179.3032 899 L 3.5992 7.7922 120.5291 58.0150 41.9015 179.2239 900 S 4.1245 7.9118 115.0950 61.5989 62.7193 176.8280 901 K 3.9778 7.9879 121.1957 59.3648 31.7619 178.9678 902 N 4.2467 8.4140 117.7186 56.9557 38.8752 176.6603 903 Y 4.4719 7.9804 118.5237 61.2864 38.0578 177.8623 904 H 4.2480 8.7140 119.6183 59.3355 30.0115 177.3556 905 L 3.9610 8.2251 120.9728 57.8501 41.4385 179.3644 906 E 4.0171 8.3785 118.5509 59.5146 29.3631 179.1864 907 N 4.4395 8.1100 116.1489 55.9340 38.4868 177.5229 908 E 3.8533 7.8945 119.8263 59.3863 29.5934 179.2281 909 V 3.5539 7.8496 118.0099 66.0531 31.6619 177.8143 910 A 3.9863 8.0299 120.2344 55.2694 18.2246 179.8158 911 R 3.8755 7.9245 116.4678 59.5575 30.0660 179.4444 912 L 4.0927 8.3600 118.9130 57.2732 41.4207 179.7836 913 K 3.9755 8.3056 119.2857 59.3066 31.9947 179.3504 914 K 3.9118 7.8962 118.1813 59.5836 31.8506 178.9145 915 L 3.9934 7.4810 119.1546 57.8149 41.9342 178.2886 916 V 4.1863 7.4150 114.7909 61.3519 32.8604 174.8181 917 G 3.7229 8.3544 104.8211 47.6308 0.0000 173.2787 918 E 4.4430 8.1833 119.0983 56.0285 32.7380 177.9989 *919 R 3.9734 8.1367 118.0224 56.6270 29.3046 176.9841 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 846 M 8.15 4.45 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 847 K 8.03 3.88 0.00 2.10 2.05 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.55 7.81 848 E 8.06 3.93 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 849 Q 8.01 3.99 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 850 L 7.52 3.64 0.00 1.78 1.94 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 851 K 7.73 3.87 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 852 Q 9.43 3.93 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 853 M 9.13 4.08 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 854 D 7.94 4.28 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 855 K 8.19 3.92 0.00 1.86 1.78 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.45 7.81 856 M 7.93 4.02 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 857 K 8.22 3.99 0.00 2.04 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 858 E 7.88 4.07 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 859 D 8.02 4.33 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 L 8.20 3.90 0.00 1.84 1.66 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 861 A 8.06 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 K 8.02 3.85 0.00 1.98 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 863 T 8.32 3.87 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 864 E 8.73 3.93 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 865 R 8.02 3.89 0.00 1.96 2.07 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 866 I 8.04 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 867 K 8.18 3.94 0.00 1.82 2.05 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 868 K 8.29 4.17 0.00 1.99 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.62 7.81 869 E 8.10 3.98 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 870 L 8.02 4.08 0.00 1.87 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 871 E 8.27 3.95 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 872 E 8.15 3.93 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 873 Q 8.51 3.93 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 874 N 8.75 4.25 0.00 2.87 2.99 0.00 0.00 6.88 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 V 8.04 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 876 T 8.13 3.90 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 877 L 8.14 4.00 0.00 1.83 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 878 L 7.90 4.05 0.00 1.88 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 879 E 8.22 4.09 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 880 Q 8.16 4.00 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 881 K 8.42 3.79 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.41 7.81 882 N 8.14 4.55 0.00 3.06 2.97 0.00 0.00 7.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 D 8.02 4.40 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 L 8.03 3.94 0.00 1.59 1.51 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 885 F 8.25 4.44 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 G 8.38 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 S 8.30 4.23 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 888 M 8.45 4.12 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 889 K 8.14 4.14 0.00 1.94 2.00 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.54 7.81 890 Q 7.77 4.04 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 891 L 7.94 4.07 0.00 1.86 1.71 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 892 E 8.58 4.04 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 893 D 8.00 4.38 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 894 K 7.95 3.89 0.00 2.00 1.99 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 895 V 8.25 3.54 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 896 E 8.14 3.90 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 897 E 8.37 3.88 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 898 L 8.17 4.00 0.00 1.65 1.64 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 899 L 7.79 3.60 0.00 1.97 1.49 0.66 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 900 S 7.91 4.12 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 K 7.99 3.98 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.52 7.81 902 N 8.41 4.25 0.00 2.71 2.64 0.00 0.00 7.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 903 Y 7.98 4.47 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 904 H 8.71 4.25 0.00 3.26 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 L 8.23 3.96 0.00 1.96 1.70 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 906 E 8.38 4.02 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 907 N 8.11 4.44 0.00 2.94 2.87 0.00 0.00 6.99 8.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 908 E 7.89 3.85 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 909 V 7.85 3.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 910 A 8.03 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 911 R 7.92 3.88 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 912 L 8.36 4.09 0.00 1.78 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 913 K 8.31 3.98 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.59 7.81 914 K 7.90 3.91 0.00 1.94 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.59 7.81 915 L 7.48 3.99 0.00 1.63 1.91 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 916 V 7.42 4.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.97 0.00 0.00 917 G 8.35 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 918 E 8.18 4.44 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 *919 R 8.14 3.97 0.00 1.91 2.09 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.