NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3467 0.0000 0.0000 62.3678 32.2014 176.6585 4 R 4.2247 7.9541 123.1547 53.7086 31.0531 175.2250 5 P 4.1866 0.0000 0.0000 66.1873 31.8897 178.8520 6 L 4.0279 7.8474 116.4233 57.2335 41.5868 179.1592 7 D 4.4959 7.4658 118.1887 57.1787 40.6557 178.6913 8 V 3.6352 7.5656 117.6298 65.7175 31.5666 177.7056 9 L 4.0205 7.2506 117.5623 57.2646 40.9716 178.4452 10 N 4.4567 7.9226 117.6911 56.6553 38.9754 176.0795 11 R 4.3630 7.9286 111.0364 56.7859 29.9280 176.6191 12 S 4.6183 8.0946 114.8493 58.2883 64.1741 174.1029 13 L 4.1088 7.3383 119.9510 56.4772 41.8186 177.2536 14 K 3.9356 9.2377 122.4645 57.0894 30.0219 175.9057 15 S 4.8174 7.8673 113.4385 56.1053 67.9403 172.8945 16 P 4.7190 0.0000 0.0000 63.9024 32.0833 175.4621 17 V 5.0815 8.8465 114.0749 60.3351 37.2876 173.5860 18 I 4.6530 8.7243 122.7155 59.7913 39.8852 175.2177 19 V 4.5218 8.8766 128.8212 61.0850 33.0653 174.4086 20 R 4.1722 8.0622 129.9211 55.8362 31.0019 175.7312 21 L 4.9637 8.1159 126.8257 52.0995 44.8053 175.8971 22 K 4.1868 8.3568 117.7482 57.7589 32.9006 177.6843 23 G 3.7206 8.9679 109.5775 46.0866 0.0000 174.8942 24 G 3.9095 8.1303 107.7072 44.7767 0.0000 174.0117 25 R 4.7122 7.1570 120.0505 56.2424 31.3024 174.8802 26 E 5.1400 8.9711 124.4848 54.9794 33.7860 173.6666 27 F 5.2091 9.2231 122.7950 55.7854 43.4849 174.1775 28 R 5.0654 9.3721 120.6028 53.9127 34.1048 175.4320 29 G 4.0201 7.7316 108.7994 46.5976 0.0000 170.7488 30 T 4.6695 8.0880 117.5688 62.4006 69.9585 174.4906 31 L 4.3546 8.5145 129.6478 55.7265 42.5844 176.4210 32 D 4.9048 9.1633 126.4371 53.6342 42.5346 175.6410 33 G 4.1983 7.6133 105.0743 47.2227 0.0000 170.9200 34 Y 5.6604 7.8983 116.8910 57.5722 40.5029 172.0267 35 D 4.7853 8.1111 118.0511 51.4454 42.7624 175.9011 36 I 3.7142 8.4686 118.7311 64.8323 37.0386 176.8277 37 H 4.6630 8.5208 115.4890 55.5711 28.4327 175.3576 38 M 3.2551 8.3878 118.6376 56.3735 31.0915 175.8629 39 N 4.8703 8.2956 113.5262 52.9255 40.1390 173.9922 40 L 5.3710 9.0827 121.3525 53.0476 46.7347 175.5126 41 V 4.9011 8.3138 119.1242 61.4169 34.9602 174.0892 42 L 5.3635 8.8177 126.3771 53.0177 45.8885 175.4861 43 L 5.0216 8.9426 121.7623 53.2509 44.6650 175.7176 44 D 4.1483 8.5155 118.4369 55.5709 38.7070 172.5107 45 A 5.6874 8.6477 122.3119 49.5122 23.4889 176.3013 46 E 5.0026 8.5323 117.3697 54.5387 33.8113 174.5581 47 E 3.6781 8.7425 125.7748 55.0599 30.9523 174.8389 48 I 4.8260 8.9123 128.9124 59.5523 40.7523 174.8549 49 Q 4.4754 8.9539 124.6130 54.1388 31.8981 175.2784 50 N 4.3983 9.5306 122.1636 54.4496 36.9623 174.8776 51 G 4.1437 8.6498 106.9953 45.3132 0.0000 174.5597 52 E 4.5180 7.8279 116.8653 54.1471 31.3065 175.9878 53 V 4.0298 8.1003 121.0183 63.1856 32.4764 175.0539 54 V 4.2660 8.5217 123.7493 64.2159 33.5954 175.5135 55 R 4.6660 7.5695 117.8019 55.0267 33.6150 173.0352 56 K 5.1322 8.5780 124.3865 54.7409 34.7230 175.5970 57 V 4.4770 9.4249 120.0785 59.6011 35.8971 176.5070 58 G 3.8458 9.0346 112.3970 49.1291 0.0000 173.2815 59 S 5.8318 7.7256 112.0727 56.4815 66.5767 174.0644 60 V 4.4224 8.0911 113.2365 60.1378 36.1059 173.4303 61 V 4.6167 8.3328 125.1291 61.4444 32.9520 174.6889 62 I 4.4131 8.4176 129.2582 59.1900 40.0118 175.4784 63 R 4.5104 8.6231 126.7860 55.7930 30.7111 177.5715 64 G 4.0888 9.4936 112.7283 47.4930 0.0000 174.7676 65 D 4.3580 8.2687 118.3867 57.3408 41.1966 177.5549 66 T 4.0729 8.1047 108.8812 63.6189 69.3320 174.9910 67 V 3.6439 7.3180 122.4180 63.2045 31.9566 175.1333 68 V 4.2692 8.5257 127.7705 64.5184 32.7245 175.7181 69 F 4.9427 7.2030 111.9885 56.0071 40.5877 172.9677 70 V 5.0545 8.5795 119.8342 61.5600 34.4199 175.1433 71 S 4.5759 9.1107 121.6992 56.4643 65.5738 171.4431 72 P 4.6082 0.0000 0.0000 63.7699 31.3653 176.0332 73 A 4.4264 8.5660 124.0658 52.0147 18.7744 176.4796 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 3 P 0.00 4.35 0.00 2.05 2.09 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 R 7.95 4.22 0.00 2.10 1.85 0.00 3.15 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 5 P 0.00 4.19 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 L 7.85 4.03 0.00 1.78 1.85 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.47 4.50 0.00 2.92 2.72 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 8 V 7.57 3.64 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 9 L 7.25 4.02 0.00 1.23 0.97 0.36 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.92 4.46 0.00 2.94 3.06 0.00 0.00 6.97 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 11 R 7.93 4.36 0.00 1.97 2.03 0.00 3.05 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 12 S 8.09 4.62 0.00 4.00 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 13 L 7.34 4.11 0.00 1.71 1.69 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.24 3.94 0.00 1.87 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 15 S 7.87 4.82 0.00 3.83 3.70 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 16 P 0.00 4.72 0.00 2.13 2.21 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 17 V 8.85 5.08 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 0.75 0.00 0.00 0.99 0.00 0.00 18 I 8.72 4.65 2.09 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 1.16 1.03 0.99 0.00 0.00 19 V 8.88 4.52 2.15 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 0.90 0.00 0.00 0.94 0.00 0.00 20 R 8.06 4.17 0.00 0.78 0.66 0.00 3.13 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.00 21 L 8.12 4.96 0.00 1.71 1.59 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.36 4.19 0.00 1.78 1.71 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.37 7.81 23 G 8.97 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 24 G 8.13 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 0.00 0.00 0.00 25 R 7.16 4.71 0.00 2.02 1.81 0.00 3.24 0.00 0.00 3.15 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.27 0.00 26 E 8.97 5.14 0.00 1.95 1.61 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 2.18 2.33 0.00 27 F 9.22 5.21 0.00 3.00 2.84 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 28 R 9.37 5.07 0.00 1.75 1.80 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 29 G 7.73 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.09 4.67 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 1.23 0.00 0.00 31 L 8.51 4.35 0.00 1.74 1.76 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.16 4.90 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.61 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 0.00 0.00 0.00 0.00 34 Y 7.90 5.66 0.00 3.00 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 35 D 8.11 4.79 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.47 3.71 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.41 0.84 0.00 0.00 37 H 8.52 4.66 0.00 3.24 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.39 3.26 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 39 N 8.30 4.87 0.00 3.02 2.72 0.00 0.00 6.78 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.08 5.37 0.00 1.45 1.51 0.88 0.65 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 41 V 8.31 4.90 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 1.03 0.00 0.00 0.92 0.00 0.00 42 L 8.82 5.36 0.00 1.54 1.48 0.89 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.94 5.02 0.00 1.55 1.55 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.52 4.15 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.65 5.69 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.53 5.00 0.00 1.86 1.76 0.00 0.00 0.00 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 2.29 0.00 47 E 8.74 3.68 0.00 1.46 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 48 I 8.91 4.83 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.91 0.00 0.00 49 Q 8.95 4.48 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.25 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 50 N 9.53 4.40 0.00 2.88 2.86 0.00 0.00 7.31 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.65 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.83 4.52 0.00 2.17 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 0.00 2.29 2.23 0.00 53 V 8.10 4.03 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 0.78 0.00 0.00 0.90 0.00 0.00 54 V 8.52 4.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 55 R 7.57 4.67 0.00 1.87 1.68 0.00 3.19 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 56 K 8.58 5.13 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.44 7.81 57 V 9.42 4.48 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.15 0.00 0.00 58 G 9.03 3.85 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 0.00 0.00 0.00 59 S 7.73 5.83 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.09 4.42 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.60 0.00 0.00 61 V 8.33 4.62 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 0.81 0.00 0.00 0.90 0.00 0.00 62 I 8.42 4.41 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.15 0.82 0.00 0.00 63 R 8.62 4.51 0.00 1.82 1.85 0.00 3.31 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 64 G 9.49 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.27 4.36 0.00 2.61 2.72 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 66 T 8.10 4.07 4.25 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 1.21 0.00 0.00 67 V 7.32 3.64 2.20 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 0.72 0.00 0.00 0.91 0.00 0.00 68 V 8.53 4.27 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 0.96 0.00 0.00 0.98 0.00 0.00 69 F 7.20 4.94 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.58 5.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 71 S 9.11 4.58 0.00 3.98 3.82 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 72 P 0.00 4.61 0.00 2.11 2.08 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 73 A 8.57 4.43 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