NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.4154 8.2493 123.5826 52.4543 20.0184 175.9241 13 R 4.4780 8.0889 113.5261 55.2538 29.3246 173.1165 14 A 4.7378 8.7722 120.9889 51.6038 22.5158 177.6441 15 E 4.5809 8.5044 119.3761 55.0531 31.4995 177.4145 16 L 4.6590 8.1613 124.3597 53.4344 41.6115 176.6098 17 A 4.1985 7.9907 123.1047 55.4094 18.8674 178.7340 18 R 4.1447 7.7104 116.0141 56.2928 28.2191 174.7492 19 V 4.1328 7.2203 121.3169 60.3712 34.7228 174.8713 20 T 3.6741 8.0966 123.6939 63.6261 68.9862 174.8953 21 W 4.7182 7.9630 126.7160 53.8448 28.4032 174.5881 22 P 4.3608 0.0000 0.0000 64.1354 31.3509 176.3708 23 T 4.5645 7.7169 108.3649 59.8526 70.2542 173.5914 24 R 4.3924 8.7923 126.3683 57.7705 30.9751 176.8575 25 E 4.7458 7.7777 114.1253 55.4724 31.2340 176.5373 26 Q 4.1704 8.2408 120.8306 57.5177 29.2004 176.9035 27 V 3.5549 7.8835 119.4269 66.6462 31.3620 177.6352 28 V 3.5885 7.8100 116.9682 66.3115 31.4313 177.6408 29 E 4.4900 7.5839 118.8586 58.0889 29.4086 179.2418 30 G 3.5826 8.3934 106.5591 48.3202 0.0000 175.8400 31 T 3.9362 8.3331 119.4302 66.3080 67.8814 176.7512 32 Q 4.0556 8.1966 119.7193 58.5263 28.6541 178.6165 33 A 4.0492 7.8777 121.8886 55.1348 18.5075 179.6684 34 I 3.6578 7.7335 118.2803 64.7467 37.2350 178.7871 35 L 4.0961 7.9381 119.5598 57.4410 41.2431 179.5785 36 L 3.9228 7.7159 119.5962 58.0812 42.0833 178.2352 37 F 4.0960 8.4025 120.9275 61.8167 39.1546 177.1321 38 T 3.9617 8.2339 108.8388 65.1734 68.6623 176.3345 39 L 3.5566 7.9373 122.1526 57.4696 41.5857 178.3344 40 A 3.9837 8.5175 121.5086 54.0463 17.7308 179.0901 41 F 3.6201 8.2676 113.5923 60.4527 39.3705 177.6209 42 M 4.0115 8.8397 118.5093 59.1549 32.0560 178.5979 43 V 3.5966 7.7401 117.7779 65.5792 31.1913 177.9482 44 I 3.5425 7.9632 120.1086 64.5128 36.7834 178.3528 45 L 3.4882 8.5878 118.5846 56.6889 41.6111 179.4507 46 G 3.7454 8.1465 106.6293 47.8493 0.0000 175.8918 47 L 4.1373 7.9434 121.1012 57.4255 41.4320 178.8032 48 Y 4.7020 7.8185 115.5751 61.2157 37.9629 178.6608 49 D 4.6134 8.0980 120.0365 57.8685 41.1745 178.9158 50 T 4.0829 7.9863 115.6677 66.4937 68.8684 176.9182 51 V 4.0196 8.8350 120.4926 65.3950 31.3176 177.1378 52 F 4.1999 7.9635 115.0219 58.0406 39.5175 177.7507 53 R 4.2411 8.1628 119.2078 58.9157 29.9972 178.1695 54 F 4.5453 8.3452 110.1939 58.0464 38.3317 175.7496 55 L 3.8380 6.7560 119.2342 55.6920 41.9270 177.9550 56 I 3.8801 7.5533 119.7588 63.8282 37.3872 176.2729 57 G 3.7518 7.7380 112.7820 46.2923 0.0000 172.9465 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 12 A 8.25 4.42 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.48 0.00 1.95 1.94 0.00 3.01 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 14 A 8.77 4.74 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 15 E 8.50 4.58 0.00 1.99 1.92 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 2.27 2.33 0.00 16 L 8.16 4.66 0.00 1.60 1.59 0.90 0.80 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 17 A 7.99 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.14 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 19 V 7.22 4.13 1.47 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 -0.05 0.00 0.00 0.80 0.00 0.00 20 T 8.10 3.67 4.08 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 1.18 0.00 0.00 21 W 7.96 4.72 0.00 3.39 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 22 P 0.00 4.36 0.00 2.06 2.13 0.00 3.69 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 2.03 2.06 0.00 23 T 7.72 4.56 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 1.32 0.00 0.00 24 R 8.79 4.39 0.00 1.82 2.01 0.00 3.38 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 25 E 7.78 4.75 0.00 1.93 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 2.19 2.27 0.00 26 Q 8.24 4.17 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 27 V 7.88 3.55 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 0.97 0.00 0.00 0.93 0.00 0.00 28 V 7.81 3.59 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 1.04 0.00 0.00 0.93 0.00 0.00 29 E 7.58 4.49 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 30 G 8.39 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.94 4.39 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 1.21 0.00 0.00 32 Q 8.20 4.06 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 33 A 7.88 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.66 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.90 0.89 0.00 0.00 35 L 7.94 4.10 0.00 1.82 1.75 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.72 3.92 0.00 2.05 1.92 0.94 0.84 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 37 F 8.40 4.10 0.00 3.34 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 38 T 8.23 3.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 39 L 7.94 3.56 0.00 1.77 1.78 0.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.52 3.98 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 41 F 8.27 3.62 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.84 4.01 0.00 2.12 2.15 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 2.61 2.58 0.00 43 V 7.74 3.60 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 0.96 0.00 0.00 0.97 0.00 0.00 44 I 7.96 3.54 1.58 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.56 0.00 0.00 45 L 8.59 3.49 0.00 1.36 1.60 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.15 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.94 4.14 0.00 1.85 1.83 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.82 4.70 0.00 3.05 3.14 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 49 D 8.10 4.61 0.00 2.90 2.78 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 50 T 7.99 4.08 4.32 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 1.26 0.00 0.00 51 V 8.83 4.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.10 0.00 0.00 52 F 7.96 4.20 0.00 3.24 3.10 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 53 R 8.16 4.24 0.00 2.14 2.06 0.00 3.35 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 54 F 8.35 4.55 0.00 3.14 3.10 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 55 L 6.76 3.84 0.00 1.41 1.46 0.37 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.55 3.88 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.92 0.00 0.00 57 G 7.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00