NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7830 8.2048 120.4473 55.6544 33.6514 174.2027 2 R 5.0345 8.8646 123.9315 53.8810 34.6315 172.7635 3 A 4.8886 9.0820 121.7692 49.8377 23.1949 175.0331 4 C 4.3873 9.0858 122.7073 59.6531 32.0881 175.0296 5 L 4.1351 8.8286 126.1328 56.9323 41.7003 178.0280 6 K 4.3163 8.1889 118.4026 57.8029 33.0513 176.5598 7 C 4.6343 7.8662 110.3685 57.1331 30.6292 174.8903 8 K 4.1733 8.3764 119.4519 56.7851 30.3059 174.7968 9 Y 3.8336 7.5116 120.1087 58.0418 39.6936 174.9974 10 L 4.5165 7.2097 126.8047 53.9067 42.8390 175.9158 11 T 4.3777 8.5697 116.6793 61.4213 70.5820 173.9246 12 N 4.4779 8.7682 122.3885 54.9119 39.2080 175.2133 13 D 4.4732 7.8757 118.3989 54.2902 41.9600 175.8828 14 E 4.5595 8.6333 123.5129 57.2773 30.6657 176.1680 15 I 5.0232 7.6306 120.5860 59.1169 41.0031 174.8957 16 C 4.2457 9.1911 128.2950 59.0320 31.7680 172.9330 17 P 4.2480 0.0000 0.0000 65.0473 31.3519 177.8757 18 I 3.7517 7.3306 118.7649 63.4529 37.6999 176.3989 19 C 4.4878 7.5623 111.6962 57.5352 30.2912 174.6249 20 H 4.2288 8.1837 116.5441 56.2892 26.8043 174.9092 21 S 4.6094 7.3438 114.0860 56.8862 64.8976 172.0940 22 P 4.9552 0.0000 0.0000 63.1544 32.4756 175.5681 23 T 5.0959 8.4697 111.8030 60.2346 72.2437 172.8949 24 S 4.9146 8.9639 116.0589 56.7805 65.8161 174.6616 25 E 4.4886 9.1360 123.9231 58.4129 30.0958 177.2664 26 N 4.8237 8.1608 120.7060 51.7293 37.2062 173.3581 27 W 5.7062 7.5508 118.0388 54.4296 32.4538 175.4119 28 I 4.4978 9.0921 120.3907 60.9138 41.4572 176.0767 29 G 4.4436 9.5463 110.2222 45.8031 0.0000 171.9167 30 L 5.1940 8.2455 120.8150 53.0831 45.2025 175.1617 31 L 4.6853 9.5058 128.3904 53.4886 44.8280 175.0556 32 I 4.7131 8.4686 128.0607 59.9940 38.6088 175.6325 33 V 4.0952 8.9009 129.1178 61.8521 32.0180 176.5077 34 I 3.8907 8.5404 129.4034 63.0189 38.0210 175.6494 35 N 4.8473 7.6831 119.4841 50.6589 39.5862 172.3231 36 P 4.3046 0.0000 0.0000 65.3419 31.8268 178.1398 37 E 4.0820 8.3574 116.3128 58.7938 29.4161 178.3457 38 K 4.5436 8.0021 115.0948 55.3116 33.1918 176.7065 39 S 4.4727 7.4822 115.3360 57.0930 63.2479 173.9814 40 E 3.9728 8.7042 130.5475 59.2666 29.5436 178.6233 41 I 3.6783 7.7193 119.3309 64.1843 37.2600 177.8427 42 A 3.9213 8.2335 121.9289 55.2039 18.1914 179.7856 43 K 3.8670 7.8666 116.3319 59.7192 31.9451 179.8155 44 K 4.0188 7.9567 117.0713 58.9121 32.0207 178.3552 45 A 4.3429 7.8444 118.5928 51.3798 18.7588 177.4261 46 G 3.7723 7.7046 105.1859 46.3859 0.0000 173.6168 47 I 4.1879 7.9472 121.1161 59.3471 38.2425 175.4854 48 D 4.8963 8.6482 122.5138 52.5237 40.2656 175.1063 49 I 4.6388 7.5211 119.0926 58.6848 40.8989 175.0166 50 K 4.3044 8.8501 126.2969 56.4651 33.1431 177.1228 51 G 3.9938 7.4399 107.6656 45.2255 0.0000 170.7753 52 K 4.9569 7.1629 118.1048 54.7562 34.8450 175.4779 53 Y 5.0326 8.9269 120.8817 55.9387 42.0539 175.1595 54 A 5.1581 8.5157 124.6620 51.5437 19.0319 177.5426 55 L 4.5077 9.0248 119.7698 56.7725 42.7264 177.7740 56 S 4.8450 7.9767 111.4487 56.8962 66.5745 173.4487 57 V 5.0755 8.3297 120.0473 61.5940 34.5976 174.1852 58 K 4.8006 8.9379 124.4292 54.3832 36.7064 176.3935 59 E 4.1555 8.7341 119.9111 56.9343 29.4124 177.2166 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 M 8.20 4.78 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 2 R 8.86 5.03 0.00 1.88 1.95 0.00 3.15 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 3 A 9.08 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.09 4.39 0.00 3.03 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 5 L 8.83 4.14 0.00 1.72 1.75 0.95 0.75 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 6 K 8.19 4.32 0.00 1.72 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 7 C 7.87 4.63 0.00 3.20 3.16 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 8 K 8.38 4.17 0.00 2.21 2.22 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 9 Y 7.51 3.83 0.00 2.99 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.21 4.52 0.00 0.97 1.02 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.57 4.38 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 N 8.77 4.48 0.00 2.79 2.85 0.00 0.00 6.50 8.08 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 13 D 7.88 4.47 0.00 2.66 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 14 E 8.63 4.56 0.00 1.98 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 2.41 2.19 0.00 15 I 7.63 5.02 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.97 0.00 0.00 16 C 9.19 4.25 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 1.85 2.02 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 18 I 7.33 3.75 1.65 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.33 0.81 0.00 0.00 19 C 7.56 4.49 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 20 H 8.18 4.23 0.00 3.33 3.51 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.34 4.61 0.00 4.01 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 22 P 0.00 4.96 0.00 2.12 2.03 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 23 T 8.47 5.10 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 1.25 0.00 0.00 24 S 8.96 4.91 0.00 3.88 3.76 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 0.00 0.00 0.00 25 E 9.14 4.49 0.00 2.05 2.03 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 2.42 2.37 0.00 26 N 8.16 4.82 0.00 2.81 3.02 0.00 0.00 6.53 7.44 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 27 W 7.55 5.71 0.00 3.51 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.09 4.50 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.98 0.93 0.00 0.00 29 G 9.55 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.25 5.19 0.00 1.81 1.61 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.51 4.69 0.00 1.75 1.55 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.47 4.71 1.89 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 1.21 0.73 0.92 0.00 0.00 33 V 8.90 4.10 2.26 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 0.99 0.00 0.00 0.94 0.00 0.00 34 I 8.54 3.89 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.92 0.00 0.00 35 N 7.68 4.85 0.00 2.67 2.66 0.00 0.00 7.19 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.30 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 37 E 8.36 4.08 0.00 2.11 2.02 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 2.32 2.40 0.00 38 K 8.00 4.54 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 S 7.48 4.47 0.00 3.96 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 40 E 8.70 3.97 0.00 2.07 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 2.37 2.39 0.00 41 I 7.72 3.68 1.86 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 1.57 0.68 0.90 0.00 0.00 42 A 8.23 3.92 1.31 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 0.00 0.00 0.00 43 K 7.87 3.87 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 44 K 7.96 4.02 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 45 A 7.84 4.34 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 46 G 7.70 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 4.19 1.62 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.44 0.53 0.00 0.00 48 D 8.65 4.90 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.52 4.64 1.89 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 1.53 0.99 0.99 0.00 0.00 50 K 8.85 4.30 0.00 2.12 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.50 7.81 51 G 7.44 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.16 4.96 0.00 1.30 1.48 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.26 7.81 53 Y 8.93 5.03 0.00 2.75 2.76 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 0.00 0.00 0.00 54 A 8.52 5.16 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 55 L 9.02 4.51 0.00 1.74 1.79 0.97 0.77 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 56 S 7.98 4.85 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.33 5.08 2.16 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 0.99 0.00 0.00 1.08 0.00 0.00 58 K 8.94 4.80 0.00 1.65 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 59 E 8.73 4.16 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00