NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3607 8.3044 120.3500 55.1707 33.3197 178.1683 2 K 3.9684 8.8568 117.5885 55.0360 32.3798 174.7232 3 R 4.2671 8.6024 125.6456 56.4182 32.3046 176.7486 4 T 4.3377 7.9160 114.3206 58.6842 65.4844 173.9531 5 F 5.3913 7.1290 125.1572 58.2120 40.9624 171.5516 6 Q 4.2036 8.2258 124.7851 52.4217 28.6157 173.7404 7 P 3.9601 0.0000 0.0000 63.5352 31.5745 177.7598 8 S 4.4138 8.3993 115.0028 55.8341 63.4709 174.4743 9 V 3.5986 8.3266 129.0390 64.9946 30.9696 177.5190 10 L 3.9123 7.9538 120.0668 57.7238 41.6557 178.5289 11 K 3.8531 8.1435 117.4950 60.0626 32.0805 178.7843 12 R 3.9583 8.0195 118.1176 60.0157 30.0544 177.8847 13 N 4.4429 8.2215 115.6995 56.0842 38.3859 176.7903 14 R 4.4198 7.7494 114.9381 56.6091 30.1460 177.2568 15 S 4.5196 7.8913 114.7554 60.0737 65.9493 174.7864 16 H 4.9028 8.8058 114.4130 55.2574 30.4434 173.6714 17 G 4.4420 7.9251 108.2878 44.0883 0.0000 174.2500 18 F 4.2784 8.7417 121.3210 61.6915 39.1707 177.2826 19 R 3.9914 8.2796 116.7764 59.5274 30.3967 178.1005 20 A 4.1054 8.0651 119.4223 55.1631 19.2659 178.2722 21 R 4.2197 8.5557 117.0269 55.0303 27.1841 174.9802 22 M 4.4243 7.1481 118.9566 56.4521 39.8369 177.2037 23 A 4.2048 7.9501 120.5888 53.5889 18.6325 176.7836 24 T 4.6696 7.1890 104.4304 58.7506 72.0252 175.2125 25 K 3.9471 8.4646 122.1074 59.9751 32.1229 178.6791 26 N 4.5784 8.0787 114.6995 55.2565 38.6555 177.2836 27 G 3.6974 8.4823 108.3430 47.9453 0.0000 175.9505 28 R 3.9882 7.6627 120.5314 58.0973 30.0244 178.0588 29 Q 4.2213 7.8576 116.7804 57.0770 29.0809 176.8535 30 V 4.0565 7.1922 118.2634 65.7866 32.1319 177.3848 31 L 3.9659 7.8250 117.8686 57.9950 41.5541 179.3705 32 A 3.7949 8.2049 120.3964 55.0296 17.7093 179.5695 33 R 3.9493 8.2513 117.6085 59.0787 29.9859 178.6246 34 R 4.1259 7.7228 117.3762 58.5400 30.4180 178.7482 35 R 3.9151 9.1124 118.6966 59.0830 29.8579 178.7722 36 A 3.9816 7.7724 119.2357 55.2080 18.5893 179.4461 37 K 4.0912 7.6712 114.8352 56.5241 33.5802 176.3529 38 G 3.8477 7.7558 107.8144 46.6596 0.0000 172.7892 39 R 4.4063 8.0016 120.1345 55.2013 32.0935 176.3996 40 A 3.9916 8.5975 126.8356 55.1718 18.6472 178.8381 41 R 4.3107 7.6398 119.3911 54.5916 29.4475 176.3050 42 L 4.0805 8.5456 125.2156 57.2273 42.1247 178.2557 43 T 4.1249 8.0064 107.4354 61.9931 69.4075 172.8335 44 V 3.1904 8.4973 130.3691 63.5471 28.9913 172.7005 45 S 3.7427 6.9292 113.5373 60.9900 63.7575 175.4053 46 K 4.0170 7.6591 127.1850 56.2023 31.8072 175.1868 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 4.36 0.00 2.00 1.11 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 2.48 2.54 0.00 2 K 8.86 3.97 0.00 1.84 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 3 R 8.60 4.27 0.00 1.88 1.95 0.00 3.43 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.92 4.34 4.28 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 1.24 0.00 0.00 5 F 7.13 5.39 0.00 2.92 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 6 Q 8.23 4.20 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 7 P 0.00 3.96 0.00 1.99 1.63 0.00 3.43 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 8 S 8.40 4.41 0.00 3.84 3.74 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 V 8.33 3.60 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 0.77 0.00 0.00 0.94 0.00 0.00 10 L 7.95 3.91 0.00 1.74 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.14 3.85 0.00 1.88 1.90 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.54 7.81 12 R 8.02 3.96 0.00 1.95 2.15 0.00 3.18 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 13 N 8.22 4.44 0.00 2.94 2.89 0.00 0.00 6.89 8.96 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 14 R 7.75 4.42 0.00 1.99 2.03 0.00 3.02 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 15 S 7.89 4.52 0.00 4.04 3.75 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 0.00 0.00 0.00 0.00 16 H 8.81 4.90 0.00 3.04 3.26 0.00 5.84 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 17 G 7.93 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.28 0.00 3.04 3.12 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 19 R 8.28 3.99 0.00 1.89 2.03 0.00 3.36 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 20 A 8.07 4.11 1.37 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 0.00 0.00 21 R 8.56 4.22 0.00 1.69 1.86 0.00 3.30 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 22 M 7.15 4.42 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 23 A 7.95 4.20 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 7.19 4.67 4.21 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 1.17 0.00 0.00 25 K 8.46 3.95 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 26 N 8.08 4.58 0.00 2.69 2.85 0.00 0.00 6.85 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 27 G 8.48 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.99 0.00 1.80 1.93 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 29 Q 7.86 4.22 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 30 V 7.19 4.06 2.29 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 1.09 0.00 0.00 0.95 0.00 0.00 31 L 7.83 3.97 0.00 1.73 1.78 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.20 3.79 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 33 R 8.25 3.95 0.00 2.06 2.06 0.00 3.08 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 34 R 7.72 4.13 0.00 2.08 1.97 0.00 3.20 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 35 R 9.11 3.92 0.00 1.86 2.00 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 36 A 7.77 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.67 4.09 0.00 1.95 1.99 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 7.76 3.85 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 0.00 0.00 0.00 39 R 8.00 4.41 0.00 1.88 1.84 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 40 A 8.60 3.99 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 41 R 7.64 4.31 0.00 1.82 1.94 0.00 3.23 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 42 L 8.55 4.08 0.00 1.63 1.79 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.01 4.12 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 1.27 0.00 0.00 44 V 8.50 3.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 45 S 6.93 3.74 0.00 4.00 3.87 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 46 K 7.66 4.02 0.00 1.66 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.31 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.42 7.81