NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5635 8.3044 118.3347 54.7508 32.6087 175.0186 2 K 3.9280 8.6506 125.0921 56.1502 33.1153 172.0620 3 V 3.6723 9.2706 119.5705 63.6240 33.2170 177.6622 4 R 3.6133 7.8280 115.6114 56.3809 29.1241 175.2489 5 A 4.7615 8.2403 116.5028 52.3774 21.0066 175.9299 6 S 4.9417 7.4735 110.2326 58.4656 62.6641 174.2354 7 V 2.8784 6.7475 116.7764 60.7976 32.9634 174.1882 8 K 3.6653 7.8644 129.7485 54.1254 33.0484 175.7277 9 K 4.4034 8.2421 122.4446 56.7478 33.9079 175.8947 10 L 4.5122 8.2838 114.7664 55.9291 45.6959 175.8958 11 C 4.9548 7.5523 110.9246 55.7219 32.9672 174.5820 12 R 3.8793 8.6155 115.4811 59.4560 29.1222 177.4384 13 N 4.5456 8.1188 113.4636 54.0962 38.6991 173.9348 14 C 4.8669 8.0016 118.2099 59.2335 28.7122 173.1396 15 K 3.9381 8.9096 126.9191 58.7154 32.2399 174.0210 16 I 3.6956 7.8802 127.5514 62.2497 33.9850 172.7365 17 V 4.5060 7.9270 123.6686 60.8093 34.7049 174.3979 18 K 5.0233 7.9906 122.3830 53.4754 31.9165 175.3412 19 R 4.0814 7.7413 121.0270 56.4417 31.0085 174.7632 20 D 4.6571 8.5772 120.6457 54.2625 39.6207 174.5596 21 G 3.9852 7.8687 106.6714 46.4339 0.0000 172.4042 22 V 4.2265 7.9262 121.7859 60.7884 33.3646 175.0880 23 I 4.2824 8.4944 129.5598 61.7294 37.4775 175.5018 24 R 4.6955 9.2537 128.7159 54.5586 33.7286 175.2875 25 V 4.7451 8.0468 117.6001 61.8255 35.3071 174.3075 26 I 4.8593 8.4026 126.9372 59.5879 41.1075 173.5950 27 C 5.6712 8.8258 126.8857 56.5360 33.1967 174.3619 28 S 3.7659 9.0218 121.9124 61.5342 62.6310 174.5781 29 A 4.0335 7.8180 123.4994 52.2905 18.7893 176.5822 30 E 4.4486 7.8256 111.3837 53.1743 31.6838 176.1234 31 P 4.3282 0.0000 0.0000 65.1555 31.6533 178.4291 32 K 4.2050 7.9575 116.4601 58.6518 32.0718 177.7888 33 H 4.3411 8.0230 116.1543 57.9751 28.8823 174.0372 34 K 4.3444 7.5049 120.6818 56.5778 32.3175 175.5554 35 Q 5.5689 8.2871 126.6675 52.7269 32.1874 175.2495 36 R 4.4163 8.6839 125.0022 56.8757 36.3807 178.0859 37 Q 3.5006 7.7555 118.2377 54.1971 28.8425 176.7441 38 G 3.9159 8.5800 113.8727 46.6752 0.0000 171.8092 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 8.30 4.56 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 K 8.65 3.93 0.00 1.90 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 3 V 9.27 3.67 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 0.78 0.00 0.00 0.93 0.00 0.00 4 R 7.83 3.61 0.00 1.92 1.94 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.24 4.76 1.25 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 0.00 0.00 0.00 6 S 7.47 4.94 0.00 3.81 3.77 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 7 V 6.75 2.88 2.38 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 0.67 0.00 0.00 0.93 0.00 0.00 8 K 7.86 3.67 0.00 1.88 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.39 7.81 9 K 8.24 4.40 0.00 1.87 1.84 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 L 8.28 4.51 0.00 1.16 1.30 0.84 0.73 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 11 C 7.55 4.95 0.00 3.08 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 12 R 8.62 3.88 0.00 1.94 2.12 0.00 3.04 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 13 N 8.12 4.55 0.00 2.83 2.98 0.00 0.00 7.18 7.66 0.00 0.00 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 8.00 4.87 0.00 3.10 2.88 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 15 K 8.91 3.94 0.00 1.69 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 16 I 7.88 3.70 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 1.28 1.53 0.91 0.00 0.00 17 V 7.93 4.51 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 1.01 0.00 0.00 0.93 0.00 0.00 18 K 7.99 5.02 0.00 1.70 1.66 0.00 1.65 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.37 7.81 19 R 7.74 4.08 0.00 1.92 1.82 0.00 3.32 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 20 D 8.58 4.66 0.00 2.83 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 21 G 7.87 3.99 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 0.00 22 V 7.93 4.23 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 0.96 0.00 0.00 0.93 0.00 0.00 23 I 8.49 4.28 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 1.34 0.65 0.91 0.00 0.00 24 R 9.25 4.70 0.00 1.72 1.87 0.00 3.18 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 25 V 8.05 4.75 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 1.09 0.00 0.00 0.97 0.00 0.00 26 I 8.40 4.86 1.88 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 0.86 0.91 0.00 0.00 27 C 8.83 5.67 0.00 3.06 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 28 S 9.02 3.77 0.00 3.91 3.99 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 29 A 7.82 4.03 1.28 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 0.00 0.00 0.00 30 E 7.83 4.45 0.00 1.70 1.67 0.00 0.00 0.00 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 2.23 0.00 31 P 0.00 4.33 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.96 4.21 0.00 1.82 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 H 8.02 4.34 0.00 3.23 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.50 4.34 0.00 1.80 1.94 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.31 7.81 35 Q 8.29 5.57 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 36 R 8.68 4.42 0.00 1.77 1.01 0.00 3.27 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 37 Q 7.76 3.50 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 38 G 8.58 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