NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3494 8.2649 123.5772 51.8447 20.6587 177.9326 2 V 3.6914 7.7986 108.5607 62.7849 31.8970 175.3555 3 C 5.1404 7.6148 115.7590 53.9736 39.6846 171.4960 4 P 4.5740 0.0000 0.0000 62.2418 31.8940 175.7938 5 T 4.4420 8.0622 109.4606 62.0423 70.3843 175.6582 6 G 3.9392 8.3929 107.7835 44.9520 0.0000 174.6871 7 L 3.8440 8.6186 121.1177 57.9741 42.6269 178.1981 8 F 5.2149 7.7257 116.7723 56.4816 37.7126 176.0490 9 S 5.1721 7.7039 112.4222 57.8649 64.5483 174.0897 10 N 5.0520 7.9155 120.1665 50.6487 40.5926 172.2419 11 P 4.9824 0.0000 0.0000 62.8496 32.0941 175.7288 12 L 5.0555 9.5568 123.2911 53.1823 46.7930 174.5318 13 C 5.3489 9.1992 118.5045 55.7817 42.4151 172.6146 14 C 5.8233 9.3894 121.0223 54.0158 43.3481 175.2480 15 A 4.0045 8.6354 123.7986 55.2571 18.5165 178.2213 16 T 4.6332 7.7080 109.8297 62.1432 73.5865 172.5861 17 N 5.1532 8.6768 122.9837 52.0880 40.6219 173.9685 18 V 4.0070 9.0350 128.0129 61.7793 33.0778 175.9100 19 L 3.7714 9.3067 128.3151 56.1038 39.2011 174.2663 20 D 4.4980 8.4579 112.7141 55.3280 38.8239 174.3620 21 L 4.6824 8.3836 118.1838 55.8254 45.5710 176.5856 22 I 4.8631 7.6793 119.3197 59.1923 40.3852 174.9851 23 G 4.0559 9.1417 115.7408 45.8648 0.0000 172.3616 24 V 4.5188 8.6441 125.8686 61.9729 33.4669 174.3467 25 D 4.7366 8.5508 127.0708 55.2831 39.5640 170.7771 26 C 5.1845 8.7543 118.9641 55.3816 42.9137 173.8298 27 K 5.1721 9.0750 121.7600 54.4977 36.3725 175.8532 28 T 4.4291 8.4815 112.4164 60.7979 69.7005 172.8227 29 P 4.5142 0.0000 0.0000 63.3621 31.9058 176.4198 30 T 4.4469 8.6854 110.7952 61.3882 69.2663 173.9896 31 I 4.5939 7.0355 114.0273 58.5773 40.8266 174.6855 32 A 3.9430 8.3832 124.0011 52.1737 18.6663 177.7368 33 V 4.2295 7.9329 115.7587 59.6681 32.4509 175.5824 34 D 4.5026 8.6231 126.2033 56.4342 41.3195 177.2596 35 T 4.8852 7.5381 107.9874 58.7432 73.3041 174.7600 36 G 3.7477 8.7262 107.5878 48.0422 0.0000 175.7381 37 A 4.0220 7.9712 122.5541 55.0160 18.4337 179.6384 38 I 3.7069 7.8603 118.4003 64.3561 37.1795 178.4478 39 F 4.4363 8.5204 121.6318 61.4344 39.2129 176.8701 40 Q 3.7658 8.4041 119.1529 59.2243 28.8632 178.1933 41 A 3.9791 8.1888 121.7749 55.2441 18.2524 179.1165 42 H 4.0978 8.5748 116.9043 59.7975 30.0735 176.9454 43 C 4.3731 8.4071 118.0928 59.9876 34.2091 176.0466 44 A 3.9768 8.2808 122.7468 54.9659 17.7047 179.7260 45 S 4.2064 7.9986 111.9248 60.6001 63.1446 175.7751 46 K 4.4276 7.2713 119.0730 55.4040 32.0626 176.5035 47 G 3.8421 7.9603 106.5870 46.4810 0.0000 173.4100 48 S 4.8490 8.0435 114.7410 56.6715 67.6285 173.3402 49 K 4.6802 8.8344 118.9886 54.0980 35.8321 174.3431 50 P 4.4868 0.0000 0.0000 62.3611 31.9647 175.4558 51 L 4.8435 8.9407 123.1806 53.0791 46.6885 174.5811 52 C 5.3814 9.1425 119.4264 55.9281 36.4725 172.5142 53 C 5.8344 9.2801 120.8155 55.0585 44.1408 175.3569 54 V 4.1090 8.9757 112.2859 62.6980 31.4733 176.8860 55 A 4.7626 7.8384 122.0686 49.9249 22.0002 173.3389 56 P 4.8783 0.0000 0.0000 62.5976 32.0887 175.6909 57 V 4.3838 7.5001 116.6439 61.3044 34.5318 174.4538 58 A 4.3240 8.4835 127.4818 53.2992 18.8933 176.2750 59 D 4.5992 8.6949 118.4236 53.3390 44.8042 176.4691 60 Q 4.1155 8.9693 123.8445 58.5924 30.2466 175.6955 61 A 4.8544 8.5862 121.0091 51.1094 21.5271 175.7760 62 L 4.8687 8.9466 122.1096 52.9962 46.1875 176.2968 63 L 4.6142 8.5387 124.6713 55.7745 43.0947 176.4567 64 C 5.4032 9.1771 122.8121 55.7942 43.5609 172.9249 65 Q 4.3417 8.4095 120.3355 53.7161 32.1233 174.2475 66 K 4.3362 8.5286 124.7061 56.8861 33.4483 176.2177 67 A 4.3998 8.3752 125.1451 51.3733 19.0495 177.6007 68 I 3.6944 8.4391 116.3303 62.0497 38.3030 175.9970 69 G 3.9191 8.8599 109.8795 46.5651 0.0000 173.7386 70 T 4.1378 7.7875 114.9254 61.3682 68.8959 173.5935 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 A 8.26 4.35 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 2 V 7.80 3.69 2.22 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 0.79 0.00 0.00 0.54 0.00 0.00 3 C 7.61 5.14 0.00 3.01 3.23 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 0.00 0.00 0.00 0.00 4 P 0.00 4.57 0.00 2.28 2.25 0.00 3.96 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.06 0.00 5 T 8.06 4.44 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 1.22 0.00 0.00 6 G 8.39 3.94 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 0.00 0.00 0.00 7 L 8.62 3.84 0.00 1.46 1.15 0.72 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.73 5.21 0.00 3.12 2.89 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 0.00 0.00 0.00 9 S 7.70 5.17 0.00 3.98 4.09 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 10 N 7.92 5.05 0.00 2.88 2.78 0.00 0.00 6.64 9.26 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 11 P 0.00 4.98 0.00 1.36 1.38 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 12 L 9.56 5.06 0.00 1.63 1.71 1.03 0.71 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 13 C 9.20 5.35 0.00 2.90 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 14 C 9.39 5.82 0.00 2.78 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 15 A 8.64 4.00 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 16 T 7.71 4.63 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 17 N 8.68 5.15 0.00 2.66 2.67 0.00 0.00 6.91 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 18 V 9.04 4.01 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 0.89 0.00 0.00 0.93 0.00 0.00 19 L 9.31 3.77 0.00 1.80 1.71 0.92 1.12 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 20 D 8.46 4.50 0.00 2.80 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 21 L 8.38 4.68 0.00 1.68 1.65 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.68 4.86 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.98 0.00 0.00 23 G 9.14 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.64 4.52 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 25 D 8.55 4.74 0.00 2.93 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 26 C 8.75 5.18 0.00 3.04 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 27 K 9.08 5.17 0.00 1.65 1.66 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 T 8.48 4.43 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 1.25 0.00 0.00 29 P 0.00 4.51 0.00 2.16 2.10 0.00 3.67 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 1.95 2.22 0.00 30 T 8.69 4.45 4.28 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 1.25 0.00 0.00 31 I 7.04 4.59 1.80 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 0.84 0.53 0.88 0.00 0.00 32 A 8.38 3.94 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 33 V 7.93 4.23 2.01 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 0.74 0.00 0.00 0.42 0.00 0.00 34 D 8.62 4.50 0.00 2.66 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 35 T 7.54 4.89 4.27 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 1.22 0.00 0.00 36 G 8.73 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 37 A 7.97 4.02 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 38 I 7.86 3.71 2.06 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 1.43 0.63 0.94 0.00 0.00 39 F 8.52 4.44 0.00 3.12 3.18 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 40 Q 8.40 3.77 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 41 A 8.19 3.98 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 42 H 8.57 4.10 0.00 3.41 3.61 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.41 4.37 0.00 2.92 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 44 A 8.28 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.00 4.21 0.00 4.04 4.14 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 46 K 7.27 4.43 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 47 G 7.96 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 0.00 0.00 0.00 48 S 8.04 4.85 0.00 3.82 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 49 K 8.83 4.68 0.00 1.57 1.54 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.30 7.81 50 P 0.00 4.49 0.00 0.49 0.74 0.00 3.50 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 51 L 8.94 4.84 0.00 1.57 1.49 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.14 5.38 0.00 2.83 3.34 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 53 C 9.28 5.83 0.00 2.88 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 54 V 8.98 4.11 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 0.96 0.00 0.00 0.98 0.00 0.00 55 A 7.84 4.76 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.88 0.00 2.19 2.34 0.00 3.72 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 1.93 1.94 0.00 57 V 7.50 4.38 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 0.85 0.00 0.00 0.94 0.00 0.00 58 A 8.48 4.32 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 59 D 8.69 4.60 0.00 2.89 2.48 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 60 Q 8.97 4.12 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 61 A 8.59 4.85 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.95 4.87 0.00 1.59 1.58 0.96 0.69 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 63 L 8.54 4.61 0.00 1.85 1.65 1.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 C 9.18 5.40 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 4.34 0.00 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 66 K 8.53 4.34 0.00 1.72 1.72 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.39 7.81 67 A 8.38 4.40 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 68 I 8.44 3.69 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.92 0.00 0.00 69 G 8.86 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.79 4.14 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 1.15 0.00 0.00