NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1533 8.0093 121.4523 60.7227 38.6766 175.6970 2 P 4.4359 0.0000 0.0000 61.5102 33.8893 173.0425 3 A 5.0448 9.2093 120.2012 50.9201 23.5375 176.9400 4 F 4.7331 8.9958 121.8589 56.4269 41.3189 174.9116 5 V 4.0642 8.1461 127.2644 62.9057 31.7757 174.4413 6 K 4.5401 9.0180 124.5553 57.5110 33.2218 176.5257 7 F 4.3928 8.1769 119.3058 56.5624 40.8038 174.3569 8 A 5.1339 8.3771 121.8899 49.6400 21.5317 175.3428 9 Y 4.9735 8.8978 122.0312 56.0344 42.5162 174.4114 10 V 4.4346 7.9178 119.8061 60.5807 32.7693 175.4519 11 A 4.2379 7.4874 123.6705 51.3428 21.6364 175.0522 12 E 4.6777 8.8683 122.4502 55.1175 31.7947 175.8123 13 R 4.4501 8.5219 123.1111 54.4017 33.4532 173.3036 14 E 3.9969 8.4750 120.0993 59.8481 28.9116 176.1826 15 D 4.2113 9.1485 122.4349 53.0620 39.5389 173.4818 16 E 5.0944 9.2668 119.4875 54.4787 32.7514 174.4586 17 L 5.1238 9.0998 125.5610 53.9904 43.9082 175.5538 18 S 4.8538 8.6186 115.2581 57.5724 64.6831 173.4316 19 L 4.5895 9.0051 123.7216 53.5324 43.7579 176.6244 20 V 4.2724 8.0409 121.0920 61.7719 32.8763 177.1641 21 K 3.9021 8.4894 122.4391 59.3282 32.5969 178.0009 22 G 4.1293 7.0204 99.3923 45.9858 0.0000 171.8689 23 S 4.7591 7.0144 117.1088 57.2355 68.1547 173.6441 24 R 4.9841 8.4480 117.9298 55.0584 32.7685 175.6702 25 V 4.6270 8.4955 121.5524 61.5174 36.0723 174.6115 26 T 4.6238 9.0258 116.2607 60.4722 69.1967 173.4384 27 V 4.5108 7.9776 128.3165 61.0759 32.4700 175.9454 28 M 4.0339 8.0968 120.1960 54.7939 31.4917 173.6058 29 E 4.3383 7.5826 123.7317 54.2900 33.0764 175.2770 30 K 3.9661 7.8541 120.7047 54.5277 33.4877 175.3186 31 C 4.5995 8.2999 122.8789 57.2769 33.7053 173.7572 32 S 4.3070 8.3851 116.8557 59.2063 62.6434 173.1274 33 D 4.9852 7.4042 119.1423 52.6004 43.3871 177.2091 34 G 3.4389 8.5954 108.9123 47.9688 0.0000 174.3373 35 W 4.7682 7.6286 115.5106 55.8361 29.2349 175.5487 36 W 4.6816 7.7627 122.0457 54.6656 31.4688 174.9357 37 R 5.0457 8.2992 122.8349 55.8050 31.2612 175.4607 38 G 4.5510 9.0539 109.6159 45.0846 0.0000 171.5551 39 S 4.8723 9.6686 116.8118 56.5786 66.9586 172.9532 40 Y 5.1527 8.2488 119.5096 55.9587 42.0978 175.0166 41 N 4.7460 9.1502 121.6276 53.0873 35.1615 173.0130 42 G 3.5437 7.9659 116.6119 46.0699 0.0000 171.1745 43 Q 4.5983 8.4633 117.3590 55.7829 31.4733 172.9852 44 I 3.8724 8.3683 118.7852 58.9033 42.9972 178.3284 45 G 4.4815 7.5399 116.2330 46.7024 0.0000 175.5841 46 W 5.5930 7.8030 130.4251 55.1202 32.3220 174.9028 47 F 4.4511 8.9238 120.6280 56.7183 37.8426 173.2062 48 P 4.3474 0.0000 0.0000 62.5599 31.3531 177.5909 49 S 4.0361 7.4551 116.1688 61.4138 62.8998 175.2561 50 N 3.6849 6.7376 117.1466 56.5976 39.0411 175.3432 51 Y 4.9909 7.1213 112.9493 57.1674 39.2388 173.7177 52 V 5.0865 7.4426 112.3387 59.8188 37.2372 175.9749 53 L 4.6084 9.4268 125.0110 53.7905 43.4028 174.5583 54 E 4.9784 8.8555 127.4504 54.4869 31.6869 174.8560 55 E 4.5892 8.6333 125.1100 54.7191 32.1929 176.8223 56 V 3.9105 8.1647 125.7191 61.3198 30.1300 175.2141 57 D 4.4883 8.0429 122.5570 53.9834 41.0385 175.8021 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 1.89 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 1.48 1.27 1.00 0.00 0.00 2 P 0.00 4.44 0.00 2.39 2.13 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 3 A 9.21 5.04 1.34 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 0.00 0.00 4 F 9.00 4.73 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.06 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 0.94 0.00 0.00 0.89 0.00 0.00 6 K 9.02 4.54 0.00 1.90 1.91 0.00 2.03 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.64 7.81 7 F 8.18 4.39 0.00 2.54 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 8 A 8.38 5.13 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 9 Y 8.90 4.97 0.00 3.05 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 10 V 7.92 4.43 1.96 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 0.78 0.00 0.00 0.81 0.00 0.00 11 A 7.49 4.24 0.99 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 12 E 8.87 4.68 0.00 1.82 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 2.21 2.25 0.00 13 R 8.52 4.45 0.00 1.76 1.69 0.00 3.22 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 14 E 8.48 4.00 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 15 D 9.15 4.21 0.00 2.32 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.27 5.09 0.00 1.90 1.84 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 2.36 2.40 0.00 17 L 9.10 5.12 0.00 1.71 1.98 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.62 4.85 0.00 3.98 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 19 L 9.01 4.59 0.00 1.74 1.75 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.04 4.27 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 0.96 0.00 0.00 0.85 0.00 0.00 21 K 8.49 3.90 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.43 7.81 22 G 7.02 4.13 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 0.00 0.00 0.00 23 S 7.01 4.76 0.00 3.62 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 4.98 0.00 1.64 1.88 0.00 3.52 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.56 0.00 25 V 8.50 4.63 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 1.21 0.00 0.00 0.88 0.00 0.00 26 T 9.03 4.62 4.26 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 1.24 0.00 0.00 27 V 7.98 4.51 2.17 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 0.92 0.00 0.00 1.15 0.00 0.00 28 M 8.10 4.03 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 29 E 7.58 4.34 0.00 1.71 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 2.01 1.98 0.00 30 K 7.85 3.97 0.00 1.54 1.58 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.53 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 0.99 7.81 31 C 8.30 4.60 0.00 2.51 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.31 0.00 3.86 3.86 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 33 D 7.40 4.99 0.00 2.79 2.72 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 34 G 8.60 3.44 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 35 W 7.63 4.77 0.00 4.07 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.76 4.68 0.00 1.78 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 0.00 0.00 0.00 0.00 37 R 8.30 5.05 0.00 1.86 1.96 0.00 3.79 0.00 0.00 3.72 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.11 0.00 38 G 9.05 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.67 4.87 0.00 3.67 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 40 Y 8.25 5.15 0.00 2.85 2.72 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 41 N 9.15 4.75 0.00 2.86 2.91 0.00 0.00 6.29 7.27 0.00 0.00 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 G 7.97 3.54 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 43 Q 8.46 4.60 0.00 2.44 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 44 I 8.37 3.87 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.20 0.86 0.00 0.00 45 G 7.54 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.80 5.59 0.00 3.42 3.40 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 47 F 8.92 4.45 0.00 3.26 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 48 P 0.00 4.35 0.00 2.13 2.14 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 49 S 7.46 4.04 0.00 3.55 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.74 3.68 0.00 2.40 2.38 0.00 0.00 6.45 7.31 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 51 Y 7.12 4.99 0.00 2.90 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 52 V 7.44 5.09 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 0.67 0.00 0.00 0.95 0.00 0.00 53 L 9.43 4.61 0.00 1.85 1.79 0.95 0.86 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 54 E 8.86 4.98 0.00 2.07 1.86 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 2.22 2.51 0.00 55 E 8.63 4.59 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 56 V 8.16 3.91 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 0.72 0.00 0.00 1.00 0.00 0.00 57 D 8.04 4.49 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00