NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 778 S 4.6201 8.3193 116.7611 58.5276 65.3817 174.1792 779 E 3.8797 7.6839 118.6162 56.0967 30.0348 173.9687 780 I 5.0871 8.7093 124.6393 59.2413 40.7525 175.3795 781 F 5.4568 9.3974 130.2279 56.6191 43.1249 173.3745 782 T 4.6257 7.7170 113.8688 59.6525 71.0406 172.7645 783 L 4.4466 8.5626 126.8892 53.4145 46.2480 174.0459 784 L 4.9772 8.2719 123.7043 52.9198 44.6062 177.8078 785 V 2.1327 7.6442 118.7465 60.2912 30.1090 175.3179 786 E 3.8041 7.0302 123.2211 56.6709 30.4928 177.6452 787 K 3.5353 9.1729 118.9637 57.7355 31.6040 174.6893 788 V 3.0099 6.8670 115.6305 63.9642 29.4739 171.7350 789 W 4.7367 8.1873 123.7294 56.5901 29.8149 175.9129 790 N 4.9350 8.8797 120.7813 54.1743 38.9809 175.7716 791 F 3.9824 9.2417 125.5224 59.5559 39.4919 176.2213 792 D 3.9038 7.9178 119.2671 57.3630 40.4790 178.4166 793 D 4.1554 7.9605 118.8438 57.0423 40.7893 178.5080 794 L 2.5771 7.3108 120.2192 57.6379 42.0937 178.8512 795 I 3.3473 7.6376 119.9701 64.5970 37.0219 178.2919 796 M 3.8123 8.0164 119.5544 58.2496 31.7179 178.7289 797 A 3.7804 7.6171 120.9984 54.9334 18.4169 179.6089 798 I 3.7817 7.7314 118.6786 64.8520 37.0103 178.4777 799 N 4.2506 7.9243 115.8313 56.1550 38.3614 177.2014 800 S 4.2216 8.1087 116.1598 61.6424 63.0161 176.8528 801 K 4.2763 7.8474 119.4501 58.4663 32.0479 177.7381 802 I 3.5180 7.5777 121.8909 61.7247 37.6779 176.8223 803 S 3.6316 8.7022 122.4783 58.8634 61.3674 173.0593 804 N 4.2968 7.9059 116.7201 56.2292 38.3079 177.0673 805 T 3.8773 7.2504 107.2859 63.3156 67.9028 174.5196 806 H 4.7618 8.1484 113.3410 53.8390 30.3410 175.3254 807 N 5.0322 7.7948 128.7164 54.3522 37.2789 177.5901 808 N 4.6514 8.5480 120.4298 53.6931 36.6913 174.3400 809 N 4.7371 7.6547 110.7828 55.2789 39.9146 174.7468 810 I 4.3193 7.6082 117.2074 62.3954 39.7746 176.8679 811 S 4.4684 7.4272 112.8359 56.9539 67.2664 173.8980 812 P 4.4053 0.0000 0.0000 62.3987 29.8936 177.9382 813 I 3.1842 7.9119 117.3160 61.0510 35.6917 175.3937 814 T 3.5270 7.5210 107.9729 62.2614 68.2184 172.5097 815 K 4.6230 7.2781 120.9858 56.1453 32.4522 176.7984 816 I 4.1107 7.6875 112.8639 60.9125 39.2395 175.0986 817 K 5.0623 8.9912 126.5210 54.7545 35.6331 174.2003 818 Y 5.9815 9.5274 124.6856 54.3247 41.5077 174.0288 819 Q 5.2604 8.5444 121.3402 53.2056 32.9971 173.3466 820 D 5.5630 8.1236 123.3195 51.1911 42.8129 175.2777 821 E 3.5822 9.6174 119.7207 56.4133 28.2569 173.2129 822 D 4.6225 8.5643 113.0465 54.8079 39.6367 174.4652 823 G 4.1502 8.4230 104.1886 44.9874 0.0000 172.9850 824 D 5.0827 7.9726 118.0632 52.2616 44.9640 174.4747 825 F 5.0735 8.4739 121.7758 55.5877 41.8954 174.9327 826 V 4.6252 8.4696 122.3979 60.1575 34.9638 173.7883 827 V 5.0515 8.4189 121.6181 59.9614 34.0485 174.2146 828 L 5.0589 7.7619 122.4353 53.7106 43.5133 175.0040 829 G 4.1832 8.3429 108.8542 46.5113 0.0000 174.2132 830 S 4.3389 7.5936 115.6153 56.9926 63.7001 173.5942 831 D 4.7338 8.2469 126.1548 53.8309 39.1165 174.1173 832 E 4.8790 7.7018 122.0886 56.8813 35.5327 176.6019 833 D 4.4543 7.8947 117.4485 57.1239 40.7791 178.6225 834 W 4.3222 8.0416 128.4730 60.3545 30.6916 177.6043 835 N 4.0192 7.9683 116.0847 56.1749 38.0047 177.1768 836 V 3.4908 7.8046 119.2674 65.8939 31.5918 177.8739 837 A 3.9257 7.8444 120.3062 55.1064 18.1194 179.6374 838 K 3.3007 7.3743 117.1683 59.4996 32.0205 179.3992 839 E 3.8181 7.9772 118.7046 59.4099 29.2811 178.9387 840 M 3.9296 8.1790 118.5350 58.6883 32.2670 178.0293 841 L 4.0715 8.5758 120.2663 57.0969 41.6330 179.5624 842 A 3.8788 7.8331 119.1655 55.1366 18.4428 179.0599 843 E 3.9843 8.4209 116.6424 59.6043 29.8558 178.4505 844 N 4.3794 8.4859 115.9222 54.5322 38.6870 175.9239 845 N 4.6198 8.3600 116.4503 52.3432 36.8762 174.7132 846 E 4.2609 7.7717 118.3365 56.5959 29.4955 176.7814 847 K 4.5647 8.3541 118.6004 56.0316 35.8231 175.5717 848 F 4.3253 8.4812 123.3925 58.5715 40.4120 173.4964 849 L 5.3178 8.2747 127.5157 53.3669 45.7307 174.7088 850 N 5.4349 9.2216 121.5687 51.4805 42.9813 173.3508 851 I 5.8124 9.1872 122.5861 58.7878 40.5753 174.2906 852 R 5.3089 8.9525 127.0764 54.7177 32.4277 174.4228 853 L 5.0079 8.8107 125.4707 53.0159 45.1959 176.4247 854 Y 4.4685 7.5530 119.7141 57.3245 38.1112 174.8556 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 778 S 8.32 4.62 0.00 3.80 4.01 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 0.00 779 E 7.68 3.88 0.00 2.08 2.14 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 0.00 2.32 2.45 0.00 780 I 8.71 5.09 2.02 0.00 0.00 1.19 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 0.96 1.02 0.00 0.00 781 F 9.40 5.46 0.00 3.07 3.03 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 0.00 782 T 7.72 4.63 3.86 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 0.00 0.00 0.00 1.40 0.00 0.00 783 L 8.56 4.45 0.00 1.00 1.33 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 784 L 8.27 4.98 0.00 1.42 1.42 0.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 785 V 7.64 2.13 1.73 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 1.13 0.00 0.00 0.78 0.00 0.00 786 E 7.03 3.80 0.00 2.06 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 2.41 2.38 0.00 787 K 9.17 3.54 0.00 1.98 1.94 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.35 1.48 7.81 788 V 6.87 3.01 2.05 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 0.67 0.00 0.00 0.83 0.00 0.00 789 W 8.19 4.74 0.00 3.87 3.16 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 0.00 790 N 8.88 4.94 0.00 2.86 3.09 0.00 0.00 7.41 7.37 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 0.00 791 F 9.24 3.98 0.00 3.36 3.22 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 0.00 0.00 0.00 792 D 7.92 3.90 0.00 2.74 2.56 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 0.00 793 D 7.96 4.16 0.00 2.83 2.56 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 0.00 794 L 7.31 2.58 0.00 1.89 1.40 0.84 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 795 I 7.64 3.35 1.50 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.22 0.64 0.00 0.00 796 M 8.02 3.81 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 797 A 7.62 3.78 0.62 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 0.00 798 I 7.73 3.78 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.72 0.78 0.00 0.00 799 N 7.92 4.25 0.00 2.67 2.97 0.00 0.00 6.97 8.21 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 0.00 800 S 8.11 4.22 0.00 3.90 3.90 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 0.00 801 K 7.85 4.28 0.00 1.95 2.01 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 2.05 7.81 802 I 7.58 3.52 1.59 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.33 0.72 0.00 0.00 803 S 8.70 3.63 0.00 4.02 3.97 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 0.00 804 N 7.91 4.30 0.00 2.82 3.23 0.00 0.00 6.33 7.70 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 0.00 805 T 7.25 3.88 4.15 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 1.18 0.00 0.00 806 H 8.15 4.76 0.00 3.16 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 N 7.79 5.03 0.00 2.66 2.21 0.00 0.00 7.09 7.89 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 0.00 808 N 8.55 4.65 0.00 2.76 2.83 0.00 0.00 5.69 7.94 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 0.00 809 N 7.65 4.74 0.00 2.77 2.77 0.00 0.00 7.23 7.93 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 0.00 810 I 7.61 4.32 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.86 0.00 0.00 811 S 7.43 4.47 0.00 3.75 3.65 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 0.00 812 P 0.00 4.41 0.00 2.11 1.92 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 813 I 7.91 3.18 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.78 0.00 0.00 814 T 7.52 3.53 4.26 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 1.19 0.00 0.00 815 K 7.28 4.62 0.00 1.28 1.17 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.22 7.81 816 I 7.69 4.11 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.93 0.00 0.00 817 K 8.99 5.06 0.00 2.31 2.14 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.73 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.76 1.53 7.81 818 Y 9.53 5.98 0.00 2.98 3.04 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 0.00 0.00 0.00 819 Q 8.54 5.26 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 820 D 8.12 5.56 0.00 2.88 2.88 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 0.00 821 E 9.62 3.58 0.00 2.14 2.06 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 2.17 2.27 0.00 822 D 8.56 4.62 0.00 2.52 2.54 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 0.00 823 G 8.42 4.15 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 0.00 824 D 7.97 5.08 0.00 2.70 2.61 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 0.00 825 F 8.47 5.07 0.00 2.93 2.83 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 0.00 826 V 8.47 4.63 1.91 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 -0.09 0.00 0.00 0.90 0.00 0.00 827 V 8.42 5.05 2.19 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 0.84 0.00 0.00 1.20 0.00 0.00 828 L 7.76 5.06 0.00 1.61 1.91 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 829 G 8.34 4.18 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 0.00 830 S 7.59 4.34 0.00 3.87 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 0.00 831 D 8.25 4.73 0.00 2.70 2.63 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 0.00 832 E 7.70 4.88 0.00 1.98 1.83 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 2.28 2.33 0.00 833 D 7.89 4.45 0.00 2.88 2.89 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 0.00 834 W 8.04 4.32 0.00 3.01 2.85 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 0.00 0.00 0.00 835 N 7.97 4.02 0.00 2.94 2.76 0.00 0.00 6.70 7.91 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 0.00 836 V 7.80 3.49 2.30 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 0.96 0.00 0.00 837 A 7.84 3.93 0.91 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 0.00 0.00 838 K 7.37 3.30 0.00 1.37 1.44 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.43 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.21 7.81 839 E 7.98 3.82 0.00 2.07 1.92 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 2.23 2.35 0.00 840 M 8.18 3.93 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 841 L 8.58 4.07 0.00 1.68 1.80 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 842 A 7.83 3.88 1.25 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 0.00 843 E 8.42 3.98 0.00 1.98 1.97 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 2.46 0.00 844 N 8.49 4.38 0.00 2.73 2.86 0.00 0.00 7.37 8.65 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 0.00 845 N 8.36 4.62 0.00 2.86 3.33 0.00 0.00 7.04 7.66 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 0.00 846 E 7.77 4.26 0.00 2.04 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 2.40 2.25 0.00 847 K 8.35 4.56 0.00 1.75 1.71 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.60 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 848 F 8.48 4.33 0.00 3.17 2.95 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 0.00 0.00 0.00 849 L 8.27 5.32 0.00 1.82 1.62 1.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 850 N 9.22 5.43 0.00 2.49 2.69 0.00 0.00 6.89 8.51 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 0.00 851 I 9.19 5.81 2.22 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.86 1.14 0.00 0.00 852 R 8.95 5.31 0.00 2.48 2.28 0.00 2.88 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 853 L 8.81 5.01 0.00 1.74 1.42 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 854 Y 7.55 4.47 0.00 3.01 2.85 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 0.00 0.00 0.00