NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6878 8.5298 119.7221 55.0705 33.5194 174.4578 2 D 4.4478 7.7630 119.0005 50.5435 40.4183 174.7650 3 P 4.3273 0.0000 0.0000 65.8722 32.0897 178.4327 4 N 4.5824 8.7322 115.3664 54.0692 39.1153 174.2078 5 C 4.9216 7.8897 117.4386 57.8374 34.2900 173.9777 6 S 4.6904 8.6664 121.4280 58.6046 62.7742 173.9159 7 C 4.4215 7.6896 118.5467 58.5582 28.8973 173.0113 8 A 4.2261 8.2944 124.0958 52.7170 18.3874 177.6889 9 T 4.6100 8.3421 111.1029 61.7175 69.3361 174.7094 10 D 4.7382 8.4412 119.0075 53.8710 39.9389 176.5409 11 G 4.0476 8.2913 109.3624 45.8148 0.0000 175.0181 12 S 4.2645 7.7803 112.4173 60.0531 63.5133 174.4338 13 C 4.2948 7.9457 121.8073 59.7171 31.7478 173.1999 14 S 4.8495 8.3070 122.7735 57.9416 63.6463 175.2407 15 C 3.8887 8.5878 117.6788 60.4277 29.8736 173.5008 16 A 4.5923 8.2849 119.9823 52.3406 15.0922 176.7024 17 G 3.9211 7.9550 108.1172 45.3432 0.0000 172.7110 18 S 4.5719 8.0378 112.8583 57.8583 63.2058 173.9505 19 C 4.4827 7.7098 116.3341 57.9087 30.8560 173.1981 20 K 4.4972 8.2075 116.0491 56.1602 32.1940 176.7082 21 C 4.3308 7.7939 117.0766 59.8158 28.7426 174.0961 22 K 4.1606 8.6631 123.2511 59.3133 32.1678 178.0571 23 Q 4.4906 8.0102 118.6714 54.0463 29.3998 172.5552 24 C 4.1325 8.0808 119.9740 59.4087 32.3567 173.3979 25 K 4.3550 8.4899 124.7875 56.6449 32.5910 176.5568 26 C 4.3591 7.7717 118.9455 59.5375 28.5817 174.6292 27 T 4.0784 8.4515 114.3965 63.5533 68.9204 175.3955 28 S 4.2829 8.0204 116.5583 59.4242 63.7154 172.7872 29 C 4.9179 8.0445 122.1569 57.5625 33.4740 173.8819 30 K 4.6298 8.3777 128.1128 55.0603 31.7595 175.3060 31 K 4.3524 7.5276 119.0691 55.3251 33.8100 177.5366 32 S 4.3443 8.2553 115.7666 58.2339 62.8755 174.1345 33 C 4.3748 8.4840 118.3078 59.8000 29.7742 172.7291 34 C 4.7085 7.8456 114.9061 57.1982 32.3986 174.8167 35 S 4.0730 8.5769 114.3188 60.1409 63.1285 175.3130 36 C 4.5273 7.9533 114.0705 58.5988 30.2708 173.0303 37 C 4.9323 7.2594 117.6438 56.7932 31.2872 172.1343 38 P 4.4729 0.0000 0.0000 62.4290 31.5136 177.6548 39 V 3.6159 8.4430 119.2910 64.8704 31.1360 177.4764 40 G 3.6919 7.9881 106.6674 45.9502 0.0000 172.8929 41 C 3.7041 8.0242 120.9099 59.8126 32.1422 174.2920 42 A 3.9316 8.8562 129.9593 55.3323 18.3020 179.5416 43 K 4.0227 8.0236 113.6601 59.5636 32.4223 177.8009 44 C 4.7885 7.9645 114.0633 59.4955 28.4643 175.5872 45 S 4.1820 7.8492 114.4720 60.7987 62.5284 175.2118 46 Q 4.3528 8.3409 117.6182 54.9511 29.3444 175.5390 47 G 4.5083 7.2505 115.7814 44.8454 0.0000 171.7306 48 C 4.1268 8.4514 124.2410 59.6124 31.8637 173.3299 49 I 4.2564 8.2093 118.9040 61.0037 38.2869 175.5278 50 C 4.3935 7.8616 121.1802 59.5723 28.9834 173.5556 51 K 4.3274 8.2932 123.4099 53.9220 32.0680 179.3931 52 E 4.3726 8.5815 124.9708 55.1014 28.8795 178.2884 53 A 4.1079 7.9064 124.0722 55.9663 20.0018 178.0976 54 S 5.0990 8.0084 103.6657 55.6593 61.0934 172.4247 55 D 4.1654 9.2011 116.7945 53.9839 39.9206 173.8941 56 K 4.3131 8.1797 117.2723 56.3343 35.6915 172.9955 57 C 4.9754 8.5592 119.4131 56.3198 32.2009 174.1181 58 S 4.3921 8.5369 115.7289 60.4153 63.3482 175.1677 59 C 4.3193 8.0454 114.5890 59.6183 30.0108 173.1168 60 C 4.8483 7.7612 116.7125 57.5944 30.9906 173.5857 61 A 4.1928 8.4926 123.9926 52.5624 18.1904 177.5325 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 8.53 4.69 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 D 7.76 4.45 0.00 2.98 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 3 P 0.00 4.33 0.00 2.20 2.23 0.00 3.75 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 1.99 2.00 0.00 4 N 8.73 4.58 0.00 2.94 2.89 0.00 0.00 6.35 7.90 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 5 C 7.89 4.92 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 6 S 8.67 4.69 0.00 3.89 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 7 C 7.69 4.42 0.00 2.96 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 8 A 8.29 4.23 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 9 T 8.34 4.61 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 1.28 0.00 0.00 10 D 8.44 4.74 0.00 2.78 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 11 G 8.29 4.05 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 0.00 0.00 0.00 12 S 7.78 4.26 0.00 4.03 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 13 C 7.95 4.29 0.00 2.95 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 14 S 8.31 4.85 0.00 3.86 3.81 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 15 C 8.59 3.89 0.00 3.10 3.21 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 16 A 8.28 4.59 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 17 G 7.95 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 18 S 8.04 4.57 0.00 3.99 3.96 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 0.00 0.00 0.00 0.00 19 C 7.71 4.48 0.00 3.10 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 20 K 8.21 4.50 0.00 1.74 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 21 C 7.79 4.33 0.00 2.96 3.03 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 0.00 0.00 0.00 22 K 8.66 4.16 0.00 1.72 1.86 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 23 Q 8.01 4.49 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 24 C 8.08 4.13 0.00 2.97 2.83 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 0.00 0.00 0.00 25 K 8.49 4.36 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.39 7.81 26 C 7.77 4.36 0.00 2.98 2.85 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 0.00 0.00 0.00 27 T 8.45 4.08 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 1.21 0.00 0.00 28 S 8.02 4.28 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.04 4.92 0.00 2.92 2.95 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 30 K 8.38 4.63 0.00 1.70 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.41 7.81 31 K 7.53 4.35 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 32 S 8.26 4.34 0.00 3.90 3.82 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 33 C 8.48 4.37 0.00 3.12 3.04 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 34 C 7.85 4.71 0.00 3.11 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 35 S 8.58 4.07 0.00 4.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.95 4.53 0.00 3.14 3.08 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 0.00 0.00 0.00 0.00 37 C 7.26 4.93 0.00 2.98 2.83 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 0.00 0.00 0.00 38 P 0.00 4.47 0.00 2.21 2.18 0.00 3.71 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 2.07 1.96 0.00 39 V 8.44 3.62 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 0.72 0.00 0.00 0.96 0.00 0.00 40 G 7.99 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 41 C 8.02 3.70 0.00 3.09 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 42 A 8.86 3.93 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 8.02 4.02 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 44 C 7.96 4.79 0.00 3.04 2.95 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 45 S 7.85 4.18 0.00 3.98 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 46 Q 8.34 4.35 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 47 G 7.25 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 4.13 0.00 2.94 2.86 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 49 I 8.21 4.26 1.87 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 1.41 0.79 0.91 0.00 0.00 50 C 7.86 4.39 0.00 2.99 2.90 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 0.00 0.00 0.00 51 K 8.29 4.33 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 0.99 7.81 52 E 8.58 4.37 0.00 2.07 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 0.00 2.27 2.30 0.00 53 A 7.91 4.11 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 54 S 8.01 5.10 0.00 3.90 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 55 D 9.20 4.17 0.00 2.80 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.31 0.00 1.64 1.61 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.32 7.81 57 C 8.56 4.98 0.00 3.07 2.85 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 0.00 0.00 0.00 58 S 8.54 4.39 0.00 4.00 4.03 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 0.00 0.00 0.00 59 C 8.05 4.32 0.00 3.10 3.10 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 60 C 7.76 4.85 0.00 2.93 2.83 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 0.00 0.00 0.00 61 A 8.49 4.19 1.23 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 0.00 0.00