NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1477 8.0093 120.7866 61.0181 39.1794 174.5453 2 T 4.4991 8.2080 115.6449 59.4608 71.3968 171.4201 3 A 4.6684 7.9262 125.1097 50.5313 23.2495 177.2362 4 K 4.3186 8.2698 118.6856 55.3244 33.8062 175.3699 5 P 4.2664 0.0000 0.0000 62.1818 31.8128 176.2372 6 A 3.9651 8.5953 122.8576 52.8535 18.4561 178.2204 7 K 4.1750 8.8479 123.2426 59.0454 32.5541 177.5875 8 T 4.5502 7.3355 107.5523 57.8344 68.2769 170.3145 9 P 4.0270 0.0000 0.0000 64.4063 32.1097 176.1268 10 T 4.3435 8.2799 120.0562 61.7812 68.5372 175.2714 11 S 4.3915 8.2600 122.1416 57.1870 65.2231 173.1978 12 P 4.2270 0.0000 0.0000 65.6870 31.1712 178.6632 13 K 3.8527 8.0875 117.7918 59.8534 32.0453 178.4143 14 E 4.0567 7.9129 118.3047 59.0511 29.2065 179.1298 15 Q 4.0739 8.1196 118.1221 58.2201 28.8678 178.0953 16 A 3.8625 7.8435 121.5027 55.0629 18.5057 179.5542 17 I 3.6994 7.7102 118.1402 64.4650 37.2536 178.7439 18 G 3.6994 8.0030 106.4641 48.0405 0.0000 174.9532 19 L 3.8582 8.5844 123.6657 57.5998 42.0299 178.9198 20 S 3.9999 8.3543 115.2577 61.9303 62.9627 177.4384 21 V 3.6517 7.9423 120.4760 66.1613 31.1730 178.0544 22 T 4.0649 8.0879 115.5645 66.8037 68.2955 176.4416 23 F 4.0753 8.8978 119.7888 60.8216 39.0595 177.8823 24 L 4.1265 8.4134 118.6170 57.6100 41.1367 179.5937 25 S 4.2664 8.2036 113.3283 60.5519 62.3913 175.7651 26 F 4.3446 7.8499 120.9427 59.6216 39.4263 178.0305 27 L 4.2751 8.3437 118.7918 57.4427 41.4977 179.4994 28 L 4.0533 8.1453 118.9682 57.4411 41.5925 177.4984 29 P 4.2814 0.0000 0.0000 65.7443 31.2849 178.3686 30 A 4.1911 7.6908 116.2456 55.2533 18.3070 179.8560 31 G 3.6688 8.3343 104.1178 47.6657 0.0000 175.6313 32 W 4.1723 8.8418 131.3297 60.1733 30.5772 177.8746 33 V 3.7202 8.1411 116.8052 66.4585 30.7685 177.7059 34 L 4.1560 8.3704 118.6804 57.9204 41.1742 179.0169 35 Y 3.9813 7.9283 118.9122 60.4898 38.7795 176.4846 36 H 4.3265 7.7637 115.7641 55.6394 28.9262 177.0952 37 L 3.9040 7.1398 123.8028 58.0967 41.5421 178.9845 38 D 4.2512 7.7245 117.2622 57.3085 41.0030 177.7146 39 N 4.4534 7.3855 115.6380 55.3253 38.4854 176.4522 40 Y 4.6583 7.2466 117.1344 60.4060 38.7649 177.1166 41 K 4.2668 7.6633 117.9105 58.2731 33.0121 177.6725 42 K 4.4259 6.9366 123.1863 54.1320 32.0123 176.0502 43 S 4.3294 8.1549 119.3334 58.9076 63.7354 176.1412 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 4.15 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 1.47 1.35 0.91 0.00 0.00 2 T 8.21 4.50 4.24 0.00 0.00 0.00 0.00 0.00 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 3 A 7.93 4.67 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.27 4.32 0.00 1.88 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 5 P 0.00 4.27 0.00 2.06 2.03 0.00 3.71 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 2.03 2.09 0.00 6 A 8.60 3.97 1.29 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 0.00 0.00 7 K 8.85 4.18 0.00 1.76 1.89 0.00 1.69 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 1.44 1.43 7.81 8 T 7.34 4.55 4.24 0.00 0.00 0.00 0.00 0.00 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 9 P 0.00 4.03 0.00 2.05 2.07 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 10 T 8.28 4.34 4.24 0.00 0.00 0.00 0.00 0.00 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 11 S 8.26 4.39 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.23 0.00 2.16 2.13 0.00 3.60 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 2.10 2.13 0.00 13 K 8.09 3.85 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 E 7.91 4.06 0.00 2.27 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 0.00 2.32 2.34 0.00 15 Q 8.12 4.07 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 16 A 7.84 3.86 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 17 I 7.71 3.70 2.02 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 1.44 1.01 0.91 0.00 0.00 18 G 8.00 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 0.00 0.00 0.00 19 L 8.58 3.86 0.00 1.73 1.63 0.63 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.35 4.00 0.00 4.02 3.93 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 0.00 0.00 0.00 21 V 7.94 3.65 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.09 4.06 4.70 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 1.39 0.00 0.00 23 F 8.90 4.08 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.13 0.00 1.77 1.79 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.20 4.27 0.00 4.04 4.16 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 26 F 7.85 4.34 0.00 3.32 3.09 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 27 L 8.34 4.28 0.00 1.78 1.78 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.15 4.05 0.00 1.82 1.75 0.95 0.95 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 29 P 0.00 4.28 0.00 2.18 2.11 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 30 A 7.69 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.33 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 0.00 0.00 0.00 32 W 8.84 4.17 0.00 3.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.72 2.39 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 1.05 0.00 0.00 1.28 0.00 0.00 34 L 8.37 4.16 0.00 2.06 1.76 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.93 3.98 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.76 4.33 0.00 2.33 2.26 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.14 3.90 0.00 1.79 1.64 0.92 1.05 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 38 D 7.72 4.25 0.00 2.60 2.50 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 39 N 7.39 4.45 0.00 2.40 2.74 0.00 0.00 7.02 7.32 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 40 Y 7.25 4.66 0.00 3.06 2.87 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 41 K 7.66 4.27 0.00 1.86 1.92 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.76 7.81 42 K 6.94 4.43 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 S 8.15 4.33 0.00 3.97 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