NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0251 8.0249 121.4507 61.3146 39.2709 176.2829 2 C 4.1797 7.6243 126.2272 58.5017 27.2796 170.3848 3 E 4.5071 8.1897 124.8776 55.0457 31.9024 176.9759 4 E 4.3248 8.4611 117.4975 56.6949 30.4054 175.6530 5 P 4.5926 0.0000 0.0000 63.7449 31.9317 177.1540 6 T 4.2764 8.0949 116.6945 66.4195 69.0021 176.4333 7 C 3.9516 8.0874 117.9825 63.0309 28.0541 176.2304 8 R 3.8842 7.9082 119.5539 59.6085 29.6609 177.9858 9 N 4.1560 8.2257 115.6853 56.7433 38.2873 177.0899 10 R 4.1115 8.0659 118.3835 58.5452 30.0990 179.0720 11 T 3.8634 9.1213 115.5212 66.4660 68.4876 176.0189 12 R 4.0021 7.6978 119.3733 60.0833 30.4656 177.8404 13 H 4.3013 8.2674 115.8213 58.8031 28.3963 177.1830 14 L 3.9882 9.7178 121.1048 57.7601 42.0320 177.1515 15 P 4.4516 0.0000 0.0000 63.4392 31.4519 176.5200 16 L 4.3561 7.8723 120.6846 55.1715 41.6993 178.0785 17 Q 4.5907 7.9101 116.9894 54.3760 27.2951 175.1404 18 F 4.0526 8.7734 125.3266 60.1804 39.4857 175.7198 19 S 4.6717 7.9842 115.9155 56.7813 65.5769 175.0281 20 R 4.2748 8.4848 128.9322 55.1078 28.4035 175.3688 21 T 3.2854 7.8780 108.2861 63.2316 66.5614 173.4269 22 G 4.0984 8.2088 105.9545 45.4558 0.0000 171.2675 23 P 4.8904 0.0000 0.0000 60.4461 32.9191 173.8968 24 L 4.7029 8.3453 122.3672 53.2913 45.5906 175.7827 25 C 4.5651 8.9681 122.2419 58.7375 31.8645 172.3246 26 P 4.6915 0.0000 0.0000 63.7776 30.7242 176.4947 27 A 4.2706 7.9385 119.8787 53.1207 18.6066 177.9156 28 C 4.2951 7.7034 112.5211 58.3910 30.6066 175.1019 29 M 4.3872 8.3865 127.8217 53.6500 30.1906 176.1003 30 K 4.3021 7.1463 117.7349 55.2968 36.0601 177.0986 31 A 4.0236 8.7815 125.9178 52.6406 18.4405 176.9376 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 1 I 8.02 4.03 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 1.06 0.91 0.00 0.00 2 C 7.62 4.18 0.00 3.05 2.92 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 3 E 8.19 4.51 0.00 2.02 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 2.35 2.28 0.00 4 E 8.46 4.32 0.00 2.14 2.18 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 2.32 2.28 0.00 5 P 0.00 4.59 0.00 2.19 2.18 0.00 3.65 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 1.97 1.97 0.00 6 T 8.09 4.28 4.34 0.00 0.00 0.00 0.00 0.00 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 7 C 8.09 3.95 0.00 2.95 3.12 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 0.00 0.00 0.00 8 R 7.91 3.88 0.00 1.90 2.16 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 9 N 8.23 4.16 0.00 2.88 2.74 0.00 0.00 7.05 7.64 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 10 R 8.07 4.11 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 11 T 9.12 3.86 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 12 R 7.70 4.00 0.00 1.82 2.05 0.00 3.35 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 13 H 8.27 4.30 0.00 3.21 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.72 3.99 0.00 1.63 1.78 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.45 0.00 2.29 2.10 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 16 L 7.87 4.36 0.00 1.61 1.78 0.77 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.91 4.59 0.00 2.42 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 18 F 8.77 4.05 0.00 2.99 3.08 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 0.00 0.00 0.00 0.00 19 S 7.98 4.67 0.00 3.86 3.88 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 20 R 8.48 4.27 0.00 1.75 1.86 0.00 3.37 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 21 T 7.88 3.29 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 1.22 0.00 0.00 22 G 8.21 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.89 0.00 2.35 2.04 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 24 L 8.35 4.70 0.00 1.59 1.81 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.97 4.57 0.00 2.99 2.92 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 26 P 0.00 4.69 0.00 2.22 2.11 0.00 3.88 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 1.98 1.96 0.00 27 A 7.94 4.27 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.70 4.30 0.00 3.11 3.20 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 29 M 8.39 4.39 0.00 2.02 2.07 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 2.54 2.54 0.00 30 K 7.15 4.30 0.00 1.79 1.66 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 31 A 8.78 4.02 1.35 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 0.00 0.00 0.00