NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5417 8.3293 115.6080 57.2920 31.4006 172.8638 9 F 4.6731 6.9490 112.8475 55.3754 39.9686 172.2034 10 A 4.2007 8.5729 125.7251 52.7220 20.0858 179.2860 11 T 4.7106 8.3131 111.1221 61.7826 69.4218 176.9700 12 L 4.0687 7.8991 123.9436 58.3949 41.7723 179.2301 13 G 3.6867 8.1928 104.9645 47.9407 0.0000 175.3651 14 A 4.1336 8.0643 122.6152 55.0084 18.1861 179.7809 15 T 3.8184 7.4974 113.2988 66.8164 68.8376 176.5245 16 L 3.8793 7.6568 120.7612 57.7983 41.3677 179.5763 17 Q 4.3591 8.2080 117.9086 59.2724 28.5218 178.5093 18 D 4.5820 8.1530 117.8398 56.1632 41.1148 177.7155 19 S 4.6233 7.9206 115.0906 57.2025 63.2909 173.8812 20 I 4.0686 7.0366 124.1578 62.7968 37.1768 176.6852 21 G 3.9768 9.6155 113.9283 45.1942 0.0000 173.1192 22 K 4.6940 7.8648 119.1363 54.3334 35.4004 175.7097 23 Q 4.6445 8.5257 121.5390 56.2550 29.9470 175.7168 24 V 4.9097 9.4489 117.5288 59.4213 36.0735 174.1777 25 L 5.0100 9.1799 126.4414 53.6818 44.1052 175.2663 26 V 4.7710 9.3469 126.6357 60.9981 34.7467 174.1354 27 K 4.8410 7.7659 126.0239 54.5300 35.2789 175.1241 28 L 5.1692 8.4625 122.4755 52.3257 46.0375 176.0689 29 R 4.0035 8.6559 119.5467 57.3171 30.7698 176.6170 30 D 4.4096 9.0472 118.0251 55.5608 37.9449 174.2689 31 S 3.8026 8.1072 111.6053 60.0126 60.1457 170.8694 32 H 4.6782 7.6238 115.5453 54.9040 30.5481 174.2618 33 E 4.9390 8.6621 122.2931 54.5492 32.5551 174.3163 34 I 5.1933 9.1406 127.1206 59.6305 41.7850 174.6596 35 R 5.0452 8.8153 123.1247 54.3499 34.2975 174.8591 36 G 4.1757 8.2510 108.5987 46.3975 0.0000 171.6254 37 I 4.8099 7.9780 121.3148 59.5845 38.8231 175.5155 38 L 4.3509 8.8193 130.5461 55.4161 42.2140 177.1579 39 R 4.3846 8.7634 125.5561 57.2851 32.4899 176.0315 40 S 4.7027 7.7155 111.1875 57.8062 65.8227 173.3089 41 F 5.6662 7.9090 116.6500 57.4312 40.3862 171.9832 42 D 4.9843 8.3720 118.4552 51.0314 42.2746 176.2949 43 Q 4.0949 8.6321 116.0062 59.1512 28.7559 176.7376 44 H 4.5977 8.3170 114.6123 55.3115 29.1550 175.8136 45 V 3.4803 8.1342 118.7160 63.6215 30.6769 170.9132 46 N 4.9726 8.4440 115.7090 52.9126 39.6386 174.2081 47 L 5.3349 9.2910 122.1400 52.8485 46.3525 175.1501 48 L 5.1237 8.8214 123.7488 53.4628 44.3066 175.1231 49 L 5.3404 9.2763 126.3125 53.0400 45.2968 175.4789 50 E 4.9177 8.8992 120.5588 54.4607 33.7056 175.3064 51 D 4.4453 8.6667 117.6456 55.2783 39.0042 174.0594 52 A 4.8077 8.1090 119.7776 51.8436 20.3187 177.5357 53 E 5.0912 9.5208 117.5430 55.0593 33.8445 173.7994 54 E 5.0440 9.4580 120.7782 55.0066 32.2754 175.3032 55 I 4.9279 8.4945 124.8185 59.9526 38.6827 175.4100 56 I 4.3842 8.6933 128.9093 60.3376 39.1532 175.8802 57 D 4.4762 9.9354 125.6218 55.3686 38.3101 174.9065 58 G 3.9810 8.6598 104.7246 45.4672 0.0000 173.5165 59 N 5.0862 8.2121 116.8962 51.2393 42.1955 173.5347 60 V 4.7401 8.1106 120.9700 61.6033 33.4961 174.3653 61 Y 4.5091 9.2396 126.2570 56.0609 40.1271 175.1182 62 K 4.5801 8.7255 124.6480 56.3195 32.4668 177.2085 63 R 4.4818 9.5052 122.8593 54.1339 33.0723 176.8449 64 G 4.0200 8.4822 106.2184 45.4611 0.0000 175.8406 65 T 4.7490 8.4809 120.4345 63.0636 69.2995 172.5138 66 M 4.7638 9.2334 125.6680 54.1743 36.1207 173.6575 67 V 4.7581 8.4901 119.3463 59.9087 33.6013 175.2280 68 V 4.3722 8.8591 126.1041 60.9092 33.9859 174.9363 69 R 4.6346 8.6100 127.3965 55.5888 30.7649 177.8004 70 G 3.9838 9.5150 112.7785 47.1514 0.0000 175.0428 71 E 3.8663 8.2944 119.7876 58.6660 29.7560 176.9848 72 N 4.8216 7.9508 114.0706 52.6565 39.0728 174.3677 73 V 4.0601 7.6405 119.3196 62.7648 32.3531 175.3967 74 L 4.6076 8.7137 127.9209 56.3767 42.5613 176.6404 75 F 5.0947 7.2953 111.5328 55.7060 41.5661 172.5049 76 I 5.0913 8.5140 119.7258 59.6896 40.3489 175.0910 77 S 4.5523 9.5187 121.4400 55.7986 65.4734 171.3006 78 P 4.6671 0.0000 0.0000 62.6361 31.7244 176.4969 79 V 3.7350 8.6666 126.1599 61.9341 32.0615 174.2861 80 P 4.4292 0.0000 0.0000 63.0455 31.1685 176.0770 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 8 C 8.33 4.54 0.00 3.15 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 9 F 6.95 4.67 0.00 3.19 3.02 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 0.00 0.00 0.00 10 A 8.57 4.20 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 11 T 8.31 4.71 4.29 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 1.16 0.00 0.00 12 L 7.90 4.07 0.00 1.77 1.75 0.94 0.89 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 13 G 8.19 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.06 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 3.82 4.37 0.00 0.00 0.00 0.00 0.00 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 16 L 7.66 3.88 0.00 1.12 0.30 0.47 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.21 4.36 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 18 D 8.15 4.58 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.62 0.00 3.94 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 20 I 7.04 4.07 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.96 0.00 0.00 21 G 9.62 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 0.00 0.00 0.00 0.00 22 K 7.86 4.69 0.00 1.89 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 23 Q 8.53 4.64 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 24 V 9.45 4.91 2.11 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 0.91 0.00 0.00 1.03 0.00 0.00 25 L 9.18 5.01 0.00 1.80 1.80 1.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.35 4.77 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 0.73 0.00 0.00 0.92 0.00 0.00 27 K 7.77 4.84 0.00 0.79 1.27 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.01 7.81 28 L 8.46 5.17 0.00 1.51 1.61 0.85 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.66 4.00 0.00 1.65 1.87 0.00 3.43 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 30 D 9.05 4.41 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 3.80 0.00 3.96 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 32 H 7.62 4.68 0.00 3.09 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.66 4.94 0.00 1.98 1.91 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 2.26 2.29 0.00 34 I 9.14 5.19 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 1.23 0.89 0.91 0.00 0.00 35 R 8.82 5.05 0.00 1.73 1.78 0.00 3.22 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 36 G 8.25 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.98 4.81 1.99 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 0.64 0.90 0.00 0.00 38 L 8.82 4.35 0.00 1.82 1.78 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.76 4.38 0.00 1.84 1.96 0.00 3.44 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 40 S 7.72 4.70 0.00 3.84 3.64 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 0.00 0.00 0.00 0.00 41 F 7.91 5.67 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 4.98 0.00 2.86 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 43 Q 8.63 4.09 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.09 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 44 H 8.32 4.60 0.00 3.38 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.13 3.48 2.12 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 0.92 0.00 0.00 0.96 0.00 0.00 46 N 8.44 4.97 0.00 3.06 2.75 0.00 0.00 6.80 6.24 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 47 L 9.29 5.33 0.00 1.53 1.56 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.82 5.12 0.00 1.76 1.61 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.28 5.34 0.00 1.56 1.52 0.93 0.71 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 50 E 8.90 4.92 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 51 D 8.67 4.45 0.00 2.77 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 52 A 8.11 4.81 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.52 5.09 0.00 2.09 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 2.38 2.32 0.00 54 E 9.46 5.04 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 55 I 8.49 4.93 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.95 0.00 0.00 56 I 8.69 4.38 1.89 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.83 0.00 0.00 57 D 9.94 4.48 0.00 2.86 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 58 G 8.66 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 0.00 0.00 0.00 0.00 59 N 8.21 5.09 0.00 2.84 2.54 0.00 0.00 6.49 7.54 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 60 V 8.11 4.74 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 0.81 0.00 0.00 0.93 0.00 0.00 61 Y 9.24 4.51 0.00 2.95 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 62 K 8.73 4.58 0.00 1.65 1.76 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 R 9.51 4.48 0.00 1.62 1.95 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 1.78 1.71 0.00 64 G 8.48 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.48 4.75 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 66 M 9.23 4.76 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 67 V 8.49 4.76 2.09 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 0.73 0.00 0.00 0.93 0.00 0.00 68 V 8.86 4.37 2.09 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 0.87 0.00 0.00 0.93 0.00 0.00 69 R 8.61 4.63 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 70 G 9.52 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 0.00 0.00 0.00 0.00 71 E 8.29 3.87 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 72 N 7.95 4.82 0.00 2.73 2.76 0.00 0.00 6.54 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.64 4.06 2.21 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 0.75 0.00 0.00 0.91 0.00 0.00 74 L 8.71 4.61 0.00 1.45 1.74 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.30 5.09 0.00 3.01 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 76 I 8.51 5.09 1.89 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 1.25 0.92 0.91 0.00 0.00 77 S 9.52 4.55 0.00 3.82 3.84 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 78 P 0.00 4.67 0.00 1.98 1.99 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 79 V 8.67 3.74 2.10 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 0.75 0.00 0.00 1.00 0.00 0.00 80 P 0.00 4.43 0.00 2.08 1.96 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00