NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.8797 8.0093 120.7756 60.7338 39.2604 176.2354 2 F 4.4401 7.5513 122.4224 57.8760 36.6281 175.2594 3 E 3.3933 8.7516 119.7524 56.8885 32.6904 181.1231 4 C 4.2474 5.7800 113.4956 58.3252 34.7468 174.7588 5 V 4.1595 8.2761 116.4529 64.1613 34.1904 174.1725 6 F 3.4467 7.5963 116.5593 59.2246 37.1473 174.8759 7 S 4.4477 7.5791 115.4583 58.2211 63.6654 175.8231 8 C 3.3815 7.6019 118.8123 59.3534 30.3090 172.6888 9 D 4.4984 7.3628 118.5050 54.6054 40.9788 177.3091 10 I 3.6278 8.3539 121.5146 63.0602 38.2084 177.3224 11 K 4.3821 7.7717 118.7887 56.8958 33.9325 177.0537 12 K 4.2429 7.9718 117.9118 58.3424 33.0868 175.2600 13 E 4.7226 8.2695 122.4780 57.1622 30.5960 176.7223 14 G 4.5437 8.7645 98.9213 45.2557 0.0000 171.6658 15 K 4.1596 7.2687 117.9465 55.6734 34.1299 172.0069 16 P 4.9953 0.0000 0.0000 63.4435 31.4007 174.7588 17 C 5.6329 9.5361 125.7716 58.1294 32.6927 172.8175 18 K 4.0716 8.9104 120.3836 54.9508 33.4975 174.2437 19 P 2.0000 0.0000 0.0000 61.9282 30.4273 175.7692 20 K 4.0287 7.7932 124.9511 56.7029 32.4895 176.6700 21 G 3.9245 8.9052 115.4383 44.9829 0.0000 172.2183 22 E 4.3934 7.4770 119.7448 55.1082 30.7338 175.7104 23 K 4.3224 8.4225 122.5666 56.6471 33.7139 177.4671 24 K 4.2333 8.1225 116.5575 57.8487 33.4814 176.8360 25 C 2.7212 8.3301 116.0102 59.2072 28.4835 173.0831 26 T 4.1918 5.7900 119.4567 60.7002 71.1865 173.9634 27 G 3.6276 8.1204 111.4925 47.3790 0.0000 173.8464 28 G 4.1695 9.8088 111.3598 45.2034 0.0000 172.1637 29 W 5.1331 8.5671 119.0536 54.6169 31.9642 175.2795 30 R 5.5602 8.9475 124.7192 54.7247 30.7764 175.8364 31 C 4.5738 9.2579 123.6709 59.8602 29.3093 173.5588 32 K 4.4366 9.1770 124.7172 55.2746 32.2424 175.3953 33 I 3.3836 8.0522 126.6903 61.8978 36.0961 175.3056 34 K 4.2597 7.9214 117.4508 58.1677 33.0420 176.1751 35 L 4.5881 7.4376 116.6324 55.1862 44.1452 173.2771 36 C 5.0420 8.8173 116.7404 59.2169 29.3892 173.4516 37 L 4.4791 9.3165 126.3362 52.5201 44.1895 175.3387 38 K 3.5553 6.9862 125.1728 57.1290 32.8307 176.5438 39 I 3.8784 8.0430 121.5019 61.1966 37.8641 175.1803 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 8.01 3.88 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.00 0.85 0.00 0.00 2 F 7.55 4.44 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 3 E 8.75 3.39 0.00 2.14 1.93 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 0.00 2.28 2.34 0.00 4 C 5.78 4.25 0.00 3.27 2.62 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 5 V 8.28 4.16 2.32 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 0.81 0.00 0.00 0.96 0.00 0.00 6 F 7.60 3.45 0.00 3.32 3.05 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 7 S 7.58 4.45 0.00 4.01 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 8 C 7.60 3.38 0.00 2.74 2.91 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 9 D 7.36 4.50 0.00 2.79 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 10 I 8.35 3.63 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.89 0.00 0.00 11 K 7.77 4.38 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.41 7.81 12 K 7.97 4.24 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 13 E 8.27 4.72 0.00 1.67 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.47 0.00 14 G 8.76 4.54 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 0.00 0.00 0.00 15 K 7.27 4.16 0.00 2.04 2.02 0.00 1.54 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.21 7.81 16 P 0.00 5.00 0.00 2.05 2.17 0.00 3.70 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 1.91 1.97 0.00 17 C 9.54 5.63 0.00 3.59 3.34 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 0.00 18 K 8.91 4.07 0.00 1.28 1.04 0.00 1.33 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.78 1.45 7.81 19 P 0.00 2.00 0.00 1.68 1.63 0.00 3.24 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 20 K 7.79 4.03 0.00 1.57 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.32 7.81 21 G 8.91 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 0.00 0.00 0.00 22 E 7.48 4.39 0.00 1.80 1.69 0.00 0.00 0.00 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 2.37 0.00 23 K 8.42 4.32 0.00 1.73 1.78 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.39 7.81 24 K 8.12 4.23 0.00 1.82 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 25 C 8.33 2.72 0.00 2.72 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 26 T 5.79 4.19 3.98 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 0.00 0.00 1.11 0.00 0.00 27 G 8.12 3.63 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 0.00 0.00 0.00 28 G 9.81 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.57 5.13 0.00 3.45 3.29 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 0.00 0.00 0.00 0.00 30 R 8.95 5.56 0.00 1.88 1.90 0.00 3.12 0.00 0.00 3.24 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 31 C 9.26 4.57 0.00 2.81 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 32 K 9.18 4.44 0.00 1.66 1.62 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.37 7.81 33 I 8.05 3.38 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.90 0.00 0.00 34 K 7.92 4.26 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 35 L 7.44 4.59 0.00 1.78 1.82 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.82 5.04 0.00 3.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 9.32 4.48 0.00 1.65 1.61 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 K 6.99 3.56 0.00 1.23 0.74 0.00 0.61 0.00 0.00 0.67 0.00 0.00 2.51 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.99 1.03 7.81 39 I 8.04 3.88 1.84 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 1.12 1.11 0.99 0.00 0.00