NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5563 8.1133 121.1211 56.2345 32.1358 173.7352 2 I 4.7213 8.9046 126.6211 59.3169 40.0888 172.6963 3 C 5.1381 9.6092 124.2173 54.7920 45.0100 173.4588 4 F 5.0112 8.8354 120.4123 57.6355 39.2800 175.2147 5 N 5.5314 9.3871 116.9965 51.9952 38.9630 174.2506 6 H 4.5760 8.4822 114.4188 55.4033 29.9298 174.2189 7 Q 4.4951 8.4186 121.4935 56.7069 31.2530 176.1250 8 S 3.5839 8.2204 120.4163 60.0168 63.6812 173.0237 9 S 4.6220 8.6768 124.6595 59.2310 62.4573 173.9202 10 Q 4.1999 8.0193 120.2293 54.8241 28.9966 174.5475 11 P 4.2422 0.0000 0.0000 62.7510 31.8859 176.7057 12 Q 3.5382 8.3087 121.0475 56.5240 29.3443 175.9996 13 T 5.0027 8.1916 110.5225 60.5500 72.5903 172.3722 14 T 5.4352 8.4684 112.1304 60.0865 72.7083 172.7030 15 K 4.6922 9.0425 120.1350 55.5942 36.4549 175.3747 16 T 4.5840 8.4221 119.3134 63.2075 69.1351 175.6137 17 C 4.7065 8.8704 124.8894 55.9865 42.9221 173.9211 18 S 4.4177 8.4823 115.7377 57.7101 63.0929 172.6000 19 P 4.4981 0.0000 0.0000 64.2020 31.5694 176.5836 20 G 3.9994 8.8628 110.3451 45.3879 0.0000 173.3472 21 E 4.0604 7.9862 121.1523 56.1968 29.6871 176.3588 22 S 4.6240 8.7249 119.7716 58.0567 64.5552 173.0848 23 S 5.0950 8.7358 116.7128 56.9154 65.5881 171.7578 24 C 5.6553 9.1097 120.4610 55.2963 38.6457 172.5485 25 Y 5.4989 8.7415 117.9343 55.4804 41.8864 173.7256 26 N 5.3133 9.5669 118.8558 51.9220 42.2557 172.7191 27 K 5.1797 9.6732 128.6482 54.8003 34.7761 174.4362 28 Q 5.3057 9.6512 129.1078 54.3169 32.5916 173.9506 29 W 5.5060 8.5141 121.6789 55.7835 32.3812 172.9129 30 S 4.9620 8.8750 114.5505 56.7989 64.7661 173.6041 31 D 5.2720 8.3883 124.7617 51.8507 41.5380 176.1852 32 F 4.0238 9.1517 119.5864 61.5133 39.3312 176.9519 33 R 4.2466 8.8266 115.3830 55.6436 29.7953 176.5252 34 G 3.7112 8.0517 106.3480 44.3066 0.0000 172.4896 35 T 4.2959 8.1493 114.8510 64.3584 68.9805 174.0696 36 I 4.3281 8.6940 126.4614 59.2383 41.1007 174.4640 37 I 4.9409 8.0623 125.7874 59.4901 40.4862 174.3065 38 E 5.1153 9.4285 126.3837 54.7646 32.9835 175.3548 39 R 4.5657 8.1779 120.2816 54.7983 35.2599 175.3286 40 G 3.9755 6.4376 106.7797 46.1754 0.0000 171.8616 41 C 4.7900 8.8581 116.6341 57.2262 41.7158 175.2889 42 G 3.8029 10.2774 109.7608 45.2541 0.0000 173.3175 43 C 4.8671 8.1090 113.8871 54.7735 44.3368 172.7686 44 P 4.4870 0.0000 0.0000 61.6426 32.1322 177.2731 45 T 4.0522 8.0738 116.5505 63.5174 69.0000 174.5085 46 V 4.4129 7.7556 123.4088 59.2637 34.8526 175.2564 47 K 4.1324 8.0888 121.5469 55.3021 32.8405 174.5030 48 P 4.5008 0.0000 0.0000 63.9664 31.6745 177.1901 49 G 3.9964 9.0816 111.0587 44.8718 0.0000 172.9813 50 I 4.4687 7.2098 120.6422 59.8040 38.7455 175.5770 51 K 4.3851 9.2542 127.4638 55.6409 33.1655 175.5200 52 L 5.3462 8.6395 127.4437 53.1130 44.6061 175.4794 53 S 4.9123 9.3485 120.4148 56.7385 66.2536 172.1640 54 C 5.7028 8.9445 119.7102 55.3291 44.1024 172.1479 55 C 5.1915 9.3677 117.3771 52.9829 45.0597 173.6007 56 E 5.0057 8.4588 116.6410 53.6007 29.2646 174.9345 57 S 4.5989 7.4011 111.7151 56.6761 66.3275 174.5869 58 E 3.8778 8.8173 120.5897 58.7930 29.7359 178.1866 59 V 2.9005 8.3773 117.7818 62.3497 29.5252 172.1859 60 C 4.5958 8.0149 113.6367 56.6109 42.5865 173.4462 61 N 4.8844 7.9362 117.6947 52.9661 37.7663 174.4240 62 N 4.3304 8.4523 122.8277 54.9154 39.0240 174.2548 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 R 8.11 4.56 0.00 1.97 1.95 0.00 3.19 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 2 I 8.90 4.72 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.12 0.81 0.00 0.00 3 C 9.61 5.14 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 4 F 8.84 5.01 0.00 3.12 2.98 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 5 N 9.39 5.53 0.00 2.65 2.81 0.00 0.00 6.96 8.46 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 6 H 8.48 4.58 0.00 3.26 3.45 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.42 4.50 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 5.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 8 S 8.22 3.58 0.00 3.85 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 9 S 8.68 4.62 0.00 3.81 3.83 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 10 Q 8.02 4.20 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 11 P 0.00 4.24 0.00 2.01 1.97 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 12 Q 8.31 3.54 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 1.63 2.05 0.00 13 T 8.19 5.00 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 1.26 0.00 0.00 14 T 8.47 5.44 4.20 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 1.07 0.00 0.00 15 K 9.04 4.69 0.00 1.75 1.89 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.39 7.81 16 T 8.42 4.58 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 C 8.87 4.71 0.00 2.85 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 18 S 8.48 4.42 0.00 3.89 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 19 P 0.00 4.50 0.00 2.04 1.98 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 G 8.86 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 0.00 0.00 0.00 21 E 7.99 4.06 0.00 1.95 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 2.35 2.31 0.00 22 S 8.72 4.62 0.00 4.02 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 23 S 8.74 5.09 0.00 3.89 3.88 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 0.00 0.00 0.00 24 C 9.11 5.66 0.00 2.87 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 25 Y 8.74 5.50 0.00 3.13 3.24 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 0.00 26 N 9.57 5.31 0.00 2.77 2.74 0.00 0.00 6.95 6.83 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 27 K 9.67 5.18 0.00 2.08 2.03 0.00 1.86 0.00 0.00 1.46 0.00 0.00 2.65 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.44 7.81 28 Q 9.65 5.31 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.29 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 29 W 8.51 5.51 0.00 3.45 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 30 S 8.87 4.96 0.00 3.84 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 31 D 8.39 5.27 0.00 3.06 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 32 F 9.15 4.02 0.00 3.01 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 33 R 8.83 4.25 0.00 1.93 2.11 0.00 3.11 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 34 G 8.05 3.71 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 0.00 0.00 0.00 35 T 8.15 4.30 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 1.09 0.00 0.00 36 I 8.69 4.33 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.76 0.25 0.00 0.00 37 I 8.06 4.94 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.91 0.00 0.00 38 E 9.43 5.12 0.00 2.27 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 0.00 2.38 2.61 0.00 39 R 8.18 4.57 0.00 1.67 1.75 0.00 3.00 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 40 G 6.44 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 41 C 8.86 4.79 0.00 3.04 3.07 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 0.00 0.00 0.00 42 G 10.28 3.80 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 0.00 0.00 0.00 43 C 8.11 4.87 0.00 2.94 2.96 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 44 P 0.00 4.49 0.00 1.95 1.78 0.00 3.32 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.77 0.00 45 T 8.07 4.05 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 1.16 0.00 0.00 46 V 7.76 4.41 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 0.72 0.00 0.00 0.83 0.00 0.00 47 K 8.09 4.13 0.00 1.67 1.57 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.39 7.81 48 P 0.00 4.50 0.00 2.06 1.95 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 49 G 9.08 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 0.00 0.00 0.00 50 I 7.21 4.47 1.92 0.00 0.00 0.60 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 0.64 1.03 0.00 0.00 51 K 9.25 4.39 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 52 L 8.64 5.35 0.00 1.61 1.53 0.99 0.93 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 53 S 9.35 4.91 0.00 3.91 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 54 C 8.94 5.70 0.00 2.87 3.05 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 55 C 9.37 5.19 0.00 2.96 3.17 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 0.00 0.00 0.00 0.00 56 E 8.46 5.01 0.00 1.94 1.92 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 2.21 2.23 0.00 57 S 7.40 4.60 0.00 3.92 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 58 E 8.82 3.88 0.00 1.92 1.87 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 2.29 2.26 0.00 59 V 8.38 2.90 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 0.00 0.00 0.04 0.00 0.00 0.76 0.00 0.00 60 C 8.01 4.60 0.00 3.11 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 61 N 7.94 4.88 0.00 2.95 2.97 0.00 0.00 6.02 8.04 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 62 N 8.45 4.33 0.00 1.74 2.65 0.00 0.00 7.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00