NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4169 8.1814 115.2897 58.3555 64.7691 175.8290 2 G 3.3823 8.0753 106.9611 47.3324 0.0000 173.9280 3 I 3.6775 7.9104 122.3249 64.1003 37.7004 176.5695 4 V 3.6158 8.0173 120.7652 67.1697 31.0312 178.6657 5 Q 4.1048 7.9282 118.4237 59.4581 27.4574 179.6792 6 Q 4.3750 8.0542 119.1041 59.5473 29.4574 177.5696 7 Q 4.2361 8.6995 119.8887 59.3282 28.6839 179.2397 8 N 4.3253 8.0987 117.2560 57.0076 38.7708 176.5456 9 N 4.3831 9.5545 117.7415 55.4035 38.4924 177.5804 10 L 3.9681 7.6842 120.4625 57.5989 42.0878 178.3807 11 L 3.9057 8.2046 120.6963 58.5959 41.9798 179.3462 12 R 3.8919 8.1738 117.5269 59.2635 29.9829 178.9852 13 A 4.0111 7.6995 120.5643 55.2443 18.3014 179.6928 14 I 3.6603 8.0365 118.5445 64.6491 37.1570 178.5509 15 E 3.9527 8.2573 119.1009 59.2484 29.2624 179.1979 16 A 4.1094 7.8601 120.4017 54.9295 18.3590 179.7424 17 Q 3.9665 8.2570 117.0663 58.9682 28.8833 178.2836 18 Q 3.8529 8.3924 121.0427 59.6881 29.0287 178.1769 19 H 4.2098 8.1626 118.6476 58.9744 30.0000 177.0282 20 L 4.0107 7.9370 122.3635 57.8781 41.9816 178.8981 21 L 4.0463 8.7609 120.1807 57.8496 41.5505 179.4852 22 Q 4.0783 8.0319 117.6333 58.8016 28.6786 178.6353 23 L 4.0405 7.9102 120.4752 57.8052 41.5393 179.6581 24 T 3.9416 7.9053 109.5943 64.8354 68.7681 176.7055 25 V 3.5754 7.7119 120.8790 65.2787 31.4547 177.4899 26 W 4.2166 8.4305 128.1798 60.5957 30.5420 177.8227 27 G 3.9209 8.3430 104.9200 48.1301 0.0000 175.3461 28 I 3.6578 7.9311 122.5770 64.1233 37.2176 178.6564 29 K 3.9642 8.4169 119.4054 59.6528 31.8118 179.4378 30 Q 3.7322 7.8290 118.2582 58.4906 28.4358 178.6136 31 L 3.9932 7.6571 120.2429 57.2790 41.5200 178.8010 32 Q 3.8729 8.3083 118.8663 59.2602 29.0295 178.3143 33 A 4.1348 7.7982 122.3387 55.7661 18.5409 180.1550 34 R 4.0643 7.7989 120.0428 61.8426 30.2716 181.4602 35 I 4.5157 8.6465 122.9023 60.4946 35.1836 178.2582 36 L 4.5364 7.8941 126.3925 54.5059 41.4874 175.5614 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 S 8.18 4.42 0.00 3.87 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 2 G 8.08 3.38 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 0.00 3 I 7.91 3.68 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 1.52 0.76 0.91 0.00 0.00 4 V 8.02 3.62 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 1.02 0.00 0.00 0.93 0.00 0.00 5 Q 7.93 4.10 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 6 Q 8.05 4.37 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 7 Q 8.70 4.24 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 8 N 8.10 4.33 0.00 2.94 3.00 0.00 0.00 7.25 6.84 0.00 0.00 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 N 9.55 4.38 0.00 2.91 2.85 0.00 0.00 6.98 6.61 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 10 L 7.68 3.97 0.00 1.87 1.70 0.92 0.54 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 11 L 8.20 3.91 0.00 1.84 1.91 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.17 3.89 0.00 2.12 1.96 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 13 A 7.70 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.66 2.04 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 1.52 0.82 0.92 0.00 0.00 15 E 8.26 3.95 0.00 2.24 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 2.33 2.48 0.00 16 A 7.86 4.11 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 17 Q 8.26 3.97 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 18 Q 8.39 3.85 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 19 H 8.16 4.21 0.00 3.23 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.94 4.01 0.00 1.90 1.81 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.76 4.05 0.00 1.90 1.71 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.03 4.08 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 23 L 7.91 4.04 0.00 1.87 1.69 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.91 3.94 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 1.31 0.00 0.00 25 V 7.71 3.58 2.32 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 0.93 0.00 0.00 1.01 0.00 0.00 26 W 8.43 4.22 0.00 3.55 3.38 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 27 G 8.34 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 28 I 7.93 3.66 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.89 0.00 0.00 29 K 8.42 3.96 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.60 7.81 30 Q 7.83 3.73 0.00 1.65 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.46 0.00 0.00 0.00 0.00 0.00 1.54 2.06 0.00 31 L 7.66 3.99 0.00 1.81 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.31 3.87 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 33 A 7.80 4.13 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 34 R 7.80 4.06 0.00 1.94 1.86 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 35 I 8.65 4.52 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 1.38 1.13 0.91 0.00 0.00 36 L 7.89 4.54 0.00 1.76 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00