NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3018 8.1744 110.9435 61.3305 70.5980 173.4823 6 N 4.6586 8.0120 119.6693 53.1168 38.9536 173.1593 7 S 4.3633 8.8231 113.6043 58.3006 64.5933 173.2998 8 D 4.7915 8.6292 121.6380 55.2181 41.8094 175.4755 9 F 5.3716 7.9858 113.8897 55.6389 41.5082 173.8291 10 V 4.6125 8.8151 112.3471 59.5945 35.3138 174.7694 11 V 4.8859 8.6030 123.3039 61.3677 33.9811 174.5563 12 I 4.9227 9.0801 128.1489 59.4341 40.9058 174.0078 13 K 5.0457 9.0664 129.0255 54.1787 34.4619 175.1290 14 A 4.3958 8.7451 130.4282 52.4189 19.0887 177.4429 15 L 4.7139 8.8834 121.9000 54.6415 42.7007 175.9789 16 E 4.6795 7.7062 115.4505 54.7651 32.3929 174.4281 17 D 4.4780 8.3730 119.2928 55.6038 41.3549 176.7351 18 G 3.8639 8.7580 108.7730 46.1108 0.0000 173.8889 19 V 3.9019 7.4800 119.8475 62.7652 32.8958 174.5636 20 N 5.2893 9.1826 124.9284 51.5221 41.3816 173.6569 21 V 4.4410 8.7460 125.2540 61.4805 33.2795 174.2888 22 I 4.5013 8.6414 130.5416 59.3731 39.2755 175.2444 23 G 4.0147 8.9073 115.7691 45.3890 0.0000 172.3593 24 L 5.4107 8.9740 126.7107 53.1366 43.9131 176.3889 25 T 4.4242 8.7563 114.5442 61.9421 69.0301 174.2069 26 R 4.1708 7.9180 126.4350 57.1877 30.9768 174.8680 27 G 3.7202 8.8357 108.7732 44.0786 0.0000 173.0159 28 A 4.0558 8.6076 120.7111 54.7031 18.5664 177.8757 29 D 4.6356 7.8459 114.1656 53.6235 42.2115 176.0691 30 T 4.5001 8.3204 122.2000 61.6439 69.5431 172.7534 31 R 4.7360 8.9131 123.0539 54.1019 33.9191 173.9310 32 F 5.3354 8.6496 117.9254 57.6852 39.0653 175.7156 33 H 4.9254 9.0944 118.7409 56.8663 30.4709 174.5710 34 H 4.7997 7.6371 117.0679 54.8130 33.3655 172.0784 35 S 4.8462 8.2229 119.3538 56.3854 64.5122 172.4255 36 E 4.4013 9.0777 129.6392 55.0169 30.8736 174.8259 37 K 4.8704 8.5814 126.6855 55.4170 33.6289 175.9716 38 L 4.9509 8.8840 124.9059 52.9738 44.7431 176.1181 39 D 4.7652 8.9849 123.6090 53.1309 42.5976 175.9791 40 K 3.9542 8.7937 122.3705 58.5673 32.3782 177.2414 41 G 4.0356 9.1565 115.3736 45.2234 0.0000 173.5855 42 E 4.1997 8.0509 119.7697 56.3682 30.7502 176.0206 43 V 4.8748 8.3154 122.5014 61.0037 34.1348 174.2055 44 L 4.7298 9.2381 129.8314 53.2401 44.7966 174.8770 45 I 5.0361 8.4588 126.2848 59.6187 39.3169 174.6308 46 A 4.6817 8.7942 129.2221 50.0488 21.7138 175.4705 47 Q 4.7733 8.6394 121.2875 55.1254 30.3148 175.8251 48 F 4.7125 8.5681 120.3574 57.9028 39.8471 175.1299 49 T 4.7277 8.7883 111.4753 59.8753 72.0796 173.1635 50 E 4.0149 9.0032 121.5350 59.6497 29.5637 177.4835 51 H 4.4663 8.1917 114.2081 56.7983 29.7464 174.3413 52 T 5.3441 8.2378 116.7079 61.9797 70.6426 174.6537 53 S 4.9515 9.0806 120.2254 58.0934 65.2244 173.5987 54 A 5.0526 8.0482 121.7238 50.6225 22.8397 174.8199 55 I 4.9764 8.5890 120.2666 59.3612 40.5424 174.7814 56 K 4.6363 8.9611 128.1836 54.4966 34.9409 174.7152 57 V 4.8640 8.3525 125.7930 61.1407 33.9216 174.5764 58 R 4.5559 9.2199 126.8956 55.5685 33.2144 176.8145 59 G 4.1433 8.9864 108.1610 44.5704 0.0000 172.4131 60 K 4.7369 9.6011 120.4410 55.6402 33.0173 175.6110 61 A 5.0629 8.5652 126.7139 51.0165 23.3936 173.7018 62 Y 5.0565 9.0614 121.5779 56.0266 41.1608 174.5648 63 I 4.8781 8.4654 127.2268 59.4850 40.7701 174.3136 64 Q 5.0372 8.8257 125.8734 54.2859 31.8073 174.8929 65 T 4.8625 8.6257 112.9097 59.4453 72.4681 174.4278 66 R 3.7286 8.5611 120.7112 59.5187 29.7318 176.3857 67 H 4.7365 9.0077 112.1429 55.3007 29.6338 175.0753 68 G 3.7190 6.5036 106.9746 44.2712 0.0000 172.8833 69 V 4.8106 7.7327 113.0883 59.9619 34.9841 175.0547 70 I 4.4661 8.0985 121.0037 60.2557 41.9083 172.7412 71 E 5.3273 8.6808 126.2188 54.4947 31.9972 176.1207 72 S 4.5697 8.7912 118.9764 58.2071 64.8526 172.9540 73 E 4.9057 8.6604 119.7661 54.5888 33.3485 176.1232 74 G 3.7284 8.6301 110.0892 45.7596 0.0000 173.5663 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 5 T 8.17 4.30 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 6 N 8.01 4.66 0.00 2.80 2.85 0.00 0.00 7.09 6.75 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 7 S 8.82 4.36 0.00 4.09 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 8 D 8.63 4.79 0.00 2.77 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 9 F 7.99 5.37 0.00 2.97 2.93 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 10 V 8.82 4.61 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 0.65 0.00 0.00 0.84 0.00 0.00 11 V 8.60 4.89 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 1.11 0.00 0.00 1.16 0.00 0.00 12 I 9.08 4.92 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.90 0.00 0.00 13 K 9.07 5.05 0.00 1.90 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.75 4.40 1.35 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 0.00 0.00 0.00 15 L 8.88 4.71 0.00 1.67 1.71 0.97 1.11 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 16 E 7.71 4.68 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 17 D 8.37 4.48 0.00 2.69 2.64 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 18 G 8.76 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 0.00 0.00 0.00 19 V 7.48 3.90 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 1.05 0.00 0.00 20 N 9.18 5.29 0.00 2.58 2.58 0.00 0.00 6.36 7.69 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 21 V 8.75 4.44 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 0.86 0.00 0.00 0.89 0.00 0.00 22 I 8.64 4.50 1.51 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.29 -0.60 0.00 0.00 23 G 8.91 4.01 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 0.00 0.00 0.00 24 L 8.97 5.41 0.00 1.90 1.72 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.76 4.42 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 1.39 0.00 0.00 26 R 7.92 4.17 0.00 1.89 1.95 0.00 3.19 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 3.72 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 0.00 0.00 0.00 28 A 8.61 4.06 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 29 D 7.85 4.64 0.00 2.64 2.58 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 30 T 8.32 4.50 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 1.28 0.00 0.00 31 R 8.91 4.74 0.00 1.78 1.98 0.00 2.78 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 32 F 8.65 5.34 0.00 2.89 2.92 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 33 H 9.09 4.93 0.00 3.16 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.64 4.80 0.00 3.24 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.22 4.85 0.00 3.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.08 4.40 0.00 2.13 1.77 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 2.25 2.31 0.00 37 K 8.58 4.87 0.00 1.63 1.70 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.49 7.81 38 L 8.88 4.95 0.00 1.51 1.53 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.98 4.77 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 3.95 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 9.16 4.04 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 0.00 0.00 0.00 42 E 8.05 4.20 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 43 V 8.32 4.87 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.24 4.73 0.00 1.70 1.45 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 5.04 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.57 0.00 0.00 46 A 8.79 4.68 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.64 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 48 F 8.57 4.71 0.00 3.02 2.99 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 49 T 8.79 4.73 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 1.31 0.00 0.00 50 E 9.00 4.01 0.00 1.93 2.05 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 1.98 2.27 0.00 51 H 8.19 4.47 0.00 3.22 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.24 5.34 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 53 S 9.08 4.95 0.00 3.82 4.10 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 54 A 8.05 5.05 1.30 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 0.00 0.00 0.00 55 I 8.59 4.98 1.84 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.82 0.00 0.00 56 K 8.96 4.64 0.00 1.82 1.53 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.36 7.81 57 V 8.35 4.86 2.06 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 0.91 0.00 0.00 0.89 0.00 0.00 58 R 9.22 4.56 0.00 1.71 1.76 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 59 G 8.99 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 0.00 0.00 0.00 60 K 9.60 4.74 0.00 1.82 1.72 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.57 5.06 1.27 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 0.00 0.00 62 Y 9.06 5.06 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.47 4.88 1.86 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 1.17 0.65 0.82 0.00 0.00 64 Q 8.83 5.04 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 65 T 8.63 4.86 4.12 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.56 3.73 0.00 1.58 1.75 0.00 3.15 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 67 H 9.01 4.74 0.00 3.17 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.50 3.72 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 0.00 0.00 0.00 69 V 7.73 4.81 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 0.71 0.00 0.00 1.03 0.00 0.00 70 I 8.10 4.47 1.85 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 1.23 1.08 0.86 0.00 0.00 71 E 8.68 5.33 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 72 S 8.79 4.57 0.00 3.92 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 73 E 8.66 4.91 0.00 1.83 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 2.22 2.30 0.00 74 G 8.63 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00