NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3184 8.3044 120.3294 54.8293 33.3578 174.2064 2 K 3.9791 8.4278 121.2654 55.9576 31.3606 174.7458 3 R 4.3982 8.5776 126.2854 55.3395 32.2326 176.3562 4 T 4.0590 8.1065 118.8992 61.6792 67.4681 172.1977 5 F 4.5882 8.2526 125.5595 56.4748 44.8965 174.3375 6 Q 3.4134 9.7012 135.0000 55.8846 27.2382 169.8784 7 P 4.6730 0.0000 0.0000 62.3900 32.4598 176.8701 8 S 4.4429 8.0825 109.8192 57.2819 65.6367 173.7713 9 V 3.4319 7.7680 123.8208 63.9616 30.9024 173.3348 10 L 4.0410 7.9849 120.8465 58.4113 41.9496 178.4026 11 K 4.3046 7.7721 114.2285 57.1083 31.4713 177.0006 12 R 4.5281 8.0952 119.1220 55.9985 31.9145 176.0464 13 N 5.0992 8.1155 114.6174 51.9948 38.9410 176.7331 14 R 3.7412 9.5346 118.2495 58.9280 30.5336 175.9864 15 S 4.3701 7.8874 110.5280 59.7567 62.7444 172.9776 16 H 4.3356 9.2385 117.9231 56.7592 33.7037 174.6892 17 G 3.9445 8.3050 111.5697 44.9412 0.0000 173.3060 18 F 4.3851 8.6520 125.3333 58.4826 37.4233 177.7899 19 R 4.4833 8.8770 126.7393 56.7679 30.7213 177.3544 20 A 3.9992 7.5696 122.8595 55.2641 18.8201 179.5694 21 R 3.9929 8.2432 114.5082 59.8405 30.1641 176.9737 22 M 4.6144 8.2054 116.4431 55.9451 31.9950 176.4697 23 A 4.7669 7.8535 117.9646 51.0509 20.7123 177.3967 24 T 4.6660 7.6093 107.0200 59.7320 72.2898 174.5107 25 K 3.9589 8.9011 123.1927 59.9719 31.9519 179.1308 26 N 4.4728 8.1112 115.9530 56.0090 39.0206 177.2119 27 G 4.2195 7.5884 108.1286 47.5325 0.0000 175.8558 28 R 4.0802 8.5203 121.1345 58.5642 30.1084 179.1666 29 Q 3.9743 7.6632 117.0169 59.0000 28.7401 178.7262 30 V 3.5808 7.8865 119.3628 66.2588 31.4431 177.8184 31 L 3.9544 7.5037 116.8090 58.6120 41.5399 178.6449 32 A 3.9450 7.8916 120.3079 55.2798 18.4496 179.2865 33 R 3.8894 8.3392 112.7606 59.9031 29.2213 178.2487 34 R 4.0991 8.0109 119.0810 58.7641 30.2521 178.0065 35 R 3.9400 8.9935 118.2370 59.6364 30.2405 178.4912 36 A 3.7753 8.2688 120.1927 55.1825 18.6040 177.0820 37 K 3.6761 6.7398 121.3608 56.5888 32.9218 176.2786 38 G 3.7338 8.1512 114.8093 45.3075 0.0000 170.8859 39 R 4.4580 7.7830 116.9040 56.7012 30.6863 175.8313 40 A 4.7456 8.4203 125.3522 49.8924 21.4152 176.8695 41 R 3.7748 8.7785 123.0398 57.1334 30.3948 177.2350 42 L 3.4829 6.9763 119.5899 55.5028 42.4939 172.7183 43 T 4.3979 8.6835 115.3810 62.9864 69.1823 175.6434 44 V 2.5892 6.8639 106.5984 63.1477 33.0027 176.4020 45 S 4.9423 8.3542 116.4299 59.1384 64.4704 174.6238 46 K 4.0992 8.5953 122.3987 57.2257 31.7547 175.2333 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 4.32 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 8.43 3.98 0.00 1.79 1.77 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.61 7.81 3 R 8.58 4.40 0.00 2.08 2.45 0.00 3.53 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 4 T 8.11 4.06 4.02 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 0.67 0.00 0.00 5 F 8.25 4.59 0.00 2.99 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.70 3.41 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 7 P 0.00 4.67 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 8 S 8.08 4.44 0.00 3.94 3.93 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 9 V 7.77 3.43 2.12 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 1.04 0.00 0.00 0.95 0.00 0.00 10 L 7.98 4.04 0.00 1.69 1.74 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.77 4.30 0.00 1.71 1.79 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.37 7.81 12 R 8.10 4.53 0.00 1.48 0.66 0.00 3.06 0.00 0.00 2.77 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 13 N 8.12 5.10 0.00 3.39 2.29 0.00 0.00 7.30 7.65 0.00 0.00 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 R 9.53 3.74 0.00 1.85 2.00 0.00 3.46 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 15 S 7.89 4.37 0.00 3.88 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 16 H 9.24 4.34 0.00 3.12 3.01 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.31 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 18 F 8.65 4.39 0.00 3.39 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.88 4.48 0.00 2.00 2.07 0.00 2.84 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 20 A 7.57 4.00 1.47 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 0.00 0.00 21 R 8.24 3.99 0.00 1.86 2.20 0.00 3.29 0.00 0.00 3.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 22 M 8.21 4.61 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 23 A 7.85 4.77 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 24 T 7.61 4.67 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 25 K 8.90 3.96 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.63 7.81 26 N 8.11 4.47 0.00 2.73 2.85 0.00 0.00 7.01 7.58 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 27 G 7.59 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.52 4.08 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 29 Q 7.66 3.97 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 30 V 7.89 3.58 2.31 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 1.03 0.00 0.00 0.93 0.00 0.00 31 L 7.50 3.95 0.00 1.99 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.89 3.95 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 33 R 8.34 3.89 0.00 2.09 2.24 0.00 2.78 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 34 R 8.01 4.10 0.00 2.00 2.08 0.00 3.28 0.00 0.00 3.16 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 35 R 8.99 3.94 0.00 1.91 1.97 0.00 3.28 0.00 0.00 3.17 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 36 A 8.27 3.78 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 37 K 6.74 3.68 0.00 2.07 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.42 7.81 38 G 8.15 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 39 R 7.78 4.46 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.89 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 40 A 8.42 4.75 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 41 R 8.78 3.77 0.00 1.77 1.99 0.00 3.44 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 42 L 6.98 3.48 0.00 1.90 1.65 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.68 4.40 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 1.24 0.00 0.00 44 V 6.86 2.59 2.31 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 0.78 0.00 0.00 0.97 0.00 0.00 45 S 8.35 4.94 0.00 3.82 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.10 0.00 1.75 1.71 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.45 7.81