NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 839 S 4.4518 8.3193 116.7950 58.7172 64.1821 172.0018 840 D 4.6681 8.2504 120.6198 52.3050 42.3339 173.6791 841 D 4.8771 8.5087 115.2533 52.6505 42.2296 174.8690 842 G 3.8406 8.3503 108.9326 46.1181 0.0000 174.0498 843 N 4.5987 8.4171 118.7471 53.4917 39.5686 174.7951 844 I 4.5032 8.1574 120.1371 60.4397 39.3463 175.7272 845 L 4.5937 8.1223 121.6474 51.1282 42.2141 173.8877 846 P 4.3268 0.0000 0.0000 62.4111 33.3278 176.4503 847 S 4.1673 8.7959 116.6084 61.9872 62.3793 176.5373 848 D 4.3219 8.0387 120.8803 57.1484 41.1836 178.1483 849 I 4.0467 7.6997 119.8672 64.2243 37.2669 177.5091 850 M 3.9715 8.4975 119.6309 59.0201 32.0558 177.5461 851 D 4.4152 8.2434 117.7880 57.5606 40.7601 178.2926 852 F 4.3885 7.8621 121.0715 61.4505 39.5244 177.3710 853 V 3.3813 7.7393 117.4295 65.7815 31.0786 177.9718 854 L 3.9881 8.1718 118.4227 57.5878 41.5001 179.1460 855 K 4.0907 7.9325 118.7075 59.5636 32.2574 178.3579 856 N 4.4758 7.4990 114.9611 56.2016 38.6648 177.3592 857 T 4.0438 7.5465 109.7344 62.9867 69.2057 173.0497 858 P 4.4398 0.0000 0.0000 62.5628 32.0189 174.7496 859 S 4.7004 8.0735 112.1348 57.2574 65.3795 172.2254 860 M 4.8827 8.1690 122.8744 54.2645 35.9885 173.6819 861 Q 4.6041 8.2410 117.4553 54.5910 33.0239 174.0800 862 A 4.7277 8.1080 120.6409 51.1446 22.1987 174.7659 863 L 4.5819 7.8327 118.5028 55.5042 43.1256 175.5724 864 G 4.0517 8.0036 103.2589 45.1544 0.0000 173.6178 865 E 4.2541 8.2679 117.8771 55.9935 30.4478 175.6371 866 S 4.6271 7.9669 112.5483 56.2787 65.2421 172.1358 867 P 4.4392 0.0000 0.0000 63.9046 31.6996 176.3601 868 E 4.1302 7.5872 120.2296 56.8568 30.1826 176.6184 869 S 4.1813 8.2706 118.9309 59.1590 63.9162 174.2633 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 839 S 8.32 4.45 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 840 D 8.25 4.67 0.00 2.80 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 0.00 841 D 8.51 4.88 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.60 0.00 2.68 2.73 0.00 0.00 6.81 8.19 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 0.00 844 I 8.16 4.50 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 1.30 1.06 0.92 0.00 0.00 845 L 8.12 4.59 0.00 1.54 1.55 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 846 P 0.00 4.33 0.00 2.21 1.99 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 847 S 8.80 4.17 0.00 4.05 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 0.00 848 D 8.04 4.32 0.00 2.73 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 0.00 849 I 7.70 4.05 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 1.01 0.00 0.00 850 M 8.50 3.97 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 851 D 8.24 4.42 0.00 2.87 2.73 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 0.00 0.00 0.00 0.00 852 F 7.86 4.39 0.00 3.11 3.26 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 0.00 853 V 7.74 3.38 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 0.89 0.00 0.00 0.99 0.00 0.00 854 L 8.17 3.99 0.00 1.76 1.72 0.93 0.88 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 0.00 855 K 7.93 4.09 0.00 1.89 1.86 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 856 N 7.50 4.48 0.00 2.58 2.67 0.00 0.00 6.91 7.35 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 0.00 857 T 7.55 4.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 858 P 0.00 4.44 0.00 2.04 2.05 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 859 S 8.07 4.70 0.00 3.74 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 0.00 860 M 8.17 4.88 0.00 1.98 1.90 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 2.49 2.55 0.00 861 Q 8.24 4.60 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 862 A 8.11 4.73 1.18 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 0.00 863 L 7.83 4.58 0.00 1.71 1.62 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 864 G 8.00 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 E 8.27 4.25 0.00 2.09 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 2.27 2.29 0.00 866 S 7.97 4.63 0.00 3.79 3.71 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 0.00 867 P 0.00 4.44 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 868 E 7.59 4.13 0.00 1.91 1.89 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 2.32 2.33 0.00 869 S 8.27 4.18 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00