NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6348 8.2227 120.3128 53.0843 41.1747 175.8282 2 H 3.7739 8.7031 117.6717 58.5811 29.5941 174.8341 3 Y 3.9212 8.9103 122.1220 61.0404 39.2347 177.4358 4 N 4.3388 8.9483 117.5071 56.2734 38.6264 176.3259 5 C 4.0615 8.3641 120.2033 60.0035 44.8144 176.0040 6 V 3.7211 7.6297 120.7463 65.4912 30.8991 178.1719 7 S 3.9820 7.5592 114.3103 61.0986 62.6328 175.8194 8 S 4.6443 7.5831 114.1884 57.9955 63.0771 174.6311 9 G 3.7355 8.0071 109.2082 46.2969 0.0000 174.1159 10 G 4.0254 8.2832 108.2082 44.7425 0.0000 172.7732 11 Q 4.7540 8.9652 120.4792 54.2498 32.4181 173.4592 12 C 4.9594 8.6986 122.7731 55.9408 37.9767 173.0503 13 L 4.9232 8.9205 123.8418 53.2905 44.9090 177.6833 14 Y 4.0540 9.0909 121.2157 60.8213 38.2959 176.3865 15 S 4.4340 7.9188 112.5660 57.3495 64.3170 173.2720 16 A 4.2024 8.2125 122.5523 51.9258 18.6679 178.1820 17 C 4.3024 8.5911 117.9390 56.4342 37.5951 172.6576 18 P 4.4762 0.0000 0.0000 61.9166 31.7395 175.2887 19 I 3.3671 7.9958 118.4794 63.0299 37.8930 175.4619 20 F 4.0847 8.3740 123.7879 58.1319 36.0713 174.2852 21 T 5.0085 7.7834 109.8463 59.9017 71.9338 172.9409 22 K 4.7444 8.2669 119.8724 54.8886 36.8060 175.2907 23 I 4.1562 8.3730 121.9432 60.9887 37.3355 176.6313 24 A 4.5431 9.2108 130.8442 50.8476 18.0007 173.8015 25 G 3.6896 8.3395 108.2958 44.1806 0.0000 171.5123 26 T 4.9367 7.9052 107.2208 60.0196 71.9294 172.9437 27 C 4.6676 7.9918 118.0790 55.9151 42.2966 173.1106 28 Y 3.8480 8.6557 115.8800 60.3889 34.0725 170.7224 29 R 3.5705 9.0185 112.2906 57.1839 28.3768 178.2729 30 G 3.9851 8.5030 105.0719 45.5052 0.0000 175.1729 31 K 4.1928 7.8941 117.6949 57.4499 32.7542 176.2210 32 A 4.5929 7.9495 120.3985 49.7303 22.9203 174.8759 33 K 4.6291 8.7495 118.5877 54.9574 34.7524 175.3628 34 C 4.8705 9.1054 125.1344 56.2011 42.4701 171.3764 35 C 5.4287 9.4405 124.8495 55.1204 42.4072 174.1412 36 K 4.1931 8.8046 124.2923 56.6703 31.8159 175.6698 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 D 8.22 4.63 0.00 2.96 2.92 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 2 H 8.70 3.77 0.00 3.25 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.91 3.92 0.00 3.19 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 4 N 8.95 4.34 0.00 2.93 2.86 0.00 0.00 6.74 8.50 0.00 0.00 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 8.36 4.06 0.00 2.99 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 6 V 7.63 3.72 1.89 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 1.07 0.00 0.00 0.70 0.00 0.00 7 S 7.56 3.98 0.00 3.70 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 8 S 7.58 4.64 0.00 4.02 3.90 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 9 G 8.01 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 0.00 0.00 0.00 10 G 8.28 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 0.00 0.00 0.00 11 Q 8.97 4.75 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 12 C 8.70 4.96 0.00 2.72 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 0.00 0.00 0.00 0.00 13 L 8.92 4.92 0.00 1.48 1.54 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.09 4.05 0.00 3.00 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 15 S 7.92 4.43 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.20 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 17 C 8.59 4.30 0.00 2.95 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 18 P 0.00 4.48 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 19 I 8.00 3.37 1.63 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.00 0.90 0.00 0.00 20 F 8.37 4.08 0.00 3.31 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 21 T 7.78 5.01 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 1.25 0.00 0.00 22 K 8.27 4.74 0.00 1.77 1.88 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 23 I 8.37 4.16 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.88 0.00 0.00 24 A 9.21 4.54 1.15 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 0.00 0.00 25 G 8.34 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 26 T 7.91 4.94 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 1.17 0.00 0.00 27 C 7.99 4.67 0.00 1.91 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 0.00 0.00 0.00 28 Y 8.66 3.85 0.00 3.10 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 29 R 9.02 3.57 0.00 2.00 2.03 0.00 3.43 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.50 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 31 K 7.89 4.19 0.00 2.07 2.10 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.65 7.81 32 A 7.95 4.59 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.75 4.63 0.00 1.60 1.66 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.41 7.81 34 C 9.11 4.87 0.00 2.84 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 35 C 9.44 5.43 0.00 2.84 2.94 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 36 K 8.80 4.19 0.00 1.66 1.57 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81