NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4238 8.1076 123.5932 51.6364 20.2402 177.5747 2 V 3.0359 8.2194 119.0159 64.3480 31.4307 177.1745 3 S 4.0812 8.5321 117.4545 60.5361 63.6721 175.8717 4 A 4.7121 7.4481 121.6680 51.5133 19.1868 175.9196 5 C 4.1894 7.7084 119.1359 61.4099 32.0325 173.3672 6 A 4.4685 8.4381 127.4393 53.2544 19.9053 177.7612 7 L 4.2688 7.6892 114.7135 53.7967 42.7785 176.1141 8 P 4.4789 0.0000 0.0000 63.0440 28.8232 172.2413 9 K 3.8242 7.9162 126.5850 56.9734 32.6719 174.1064 10 C 4.5131 8.6227 118.1263 61.1915 30.4508 174.1996 11 A 3.9533 8.0268 127.6698 53.0796 17.1186 176.0948 12 A 4.5954 8.1977 123.4091 52.4332 19.1624 176.7035 13 A 4.3465 8.0565 117.4971 53.3265 20.9661 177.2136 14 A 3.6124 8.5198 118.1303 54.8810 15.2757 180.2682 15 N 4.7864 7.3639 118.4819 50.4004 41.5024 173.4338 16 V 3.6494 8.3321 127.6180 65.7438 31.7735 177.0906 17 A 4.0534 8.0790 119.7289 55.4222 18.0324 179.3933 18 A 3.9858 7.9979 116.7305 55.1840 18.5525 178.3891 19 H 4.4245 7.7163 116.0344 58.8222 29.5986 176.7209 20 M 3.6419 8.8524 121.1751 58.8028 31.7603 178.0607 21 T 3.9170 7.4362 112.4232 64.5997 67.3229 173.8984 22 H 4.6935 7.8728 113.5962 56.4773 30.6053 173.6092 23 C 4.2972 7.2951 113.0833 59.2068 30.0102 172.4054 24 A 3.6835 8.4868 119.5944 52.5283 14.7400 177.4526 25 K 4.0780 7.5509 124.2957 56.2540 32.1166 175.1364 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 A 8.11 4.42 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 2 V 8.22 3.04 2.02 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 0.60 0.00 0.00 0.86 0.00 0.00 3 S 8.53 4.08 0.00 3.87 3.96 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 4 A 7.45 4.71 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 5 C 7.71 4.19 0.00 2.70 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 6 A 8.44 4.47 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 7 L 7.69 4.27 0.00 1.68 1.60 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.48 0.00 2.17 2.09 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 9 K 7.92 3.82 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.44 7.81 10 C 8.62 4.51 0.00 3.05 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 11 A 8.03 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.60 1.27 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 0.00 0.00 13 A 8.06 4.35 1.23 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 0.00 0.00 0.00 14 A 8.52 3.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.36 4.79 0.00 2.71 2.67 0.00 0.00 6.68 7.71 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 16 V 8.33 3.65 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 1.11 0.00 0.00 0.96 0.00 0.00 17 A 8.08 4.05 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 18 A 8.00 3.99 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 19 H 7.72 4.42 0.00 3.33 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.85 3.64 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 21 T 7.44 3.92 4.32 0.00 0.00 0.00 0.00 0.00 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 22 H 7.87 4.69 0.00 3.20 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.30 4.30 0.00 2.86 2.93 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 24 A 8.49 3.68 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 25 K 7.55 4.08 0.00 1.68 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81