NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4404 8.2893 120.3291 54.6393 33.4290 174.6553 2 Q 3.8333 8.4250 118.6033 55.5529 28.1927 170.7545 3 V 3.5664 8.7707 126.1334 62.1111 33.2183 176.9397 4 I 3.2065 8.2726 125.5717 60.9093 37.3018 172.7275 5 L 4.4262 7.6126 120.1542 55.0802 45.0472 173.8713 6 L 4.5187 8.2727 120.2675 55.1494 47.0536 174.8017 7 E 4.4513 8.0561 119.9775 53.8446 29.7140 172.8074 8 P 4.8791 0.0000 0.0000 64.6592 30.7851 178.6261 9 S 4.0761 10.2361 113.9706 58.4967 60.2276 169.9234 10 R 4.1705 7.7501 118.6925 56.0826 32.3225 173.7900 11 L 3.4296 9.2466 123.4140 55.7839 38.6844 176.5277 12 G 3.8698 8.1347 111.6349 46.5789 0.0000 169.5669 13 K 4.4655 8.3283 115.7033 57.2872 37.9764 176.8594 14 T 4.1334 7.8442 108.9192 61.9302 69.7198 173.2074 15 G 4.4988 8.2324 108.0238 45.4084 0.0000 172.9537 16 E 4.9326 8.2607 115.0581 54.9858 32.1003 176.5933 17 V 4.1697 8.0569 122.4085 60.5555 30.8430 176.1855 18 V 4.4815 7.2072 117.8982 61.9096 34.9553 174.8793 19 S 4.5711 8.3102 120.4648 55.7357 63.0329 173.6649 20 V 3.7029 8.3624 127.5474 66.5635 31.6045 176.9316 21 K 4.2471 7.7397 117.0671 56.2923 32.9673 177.6021 22 D 4.5832 8.4545 121.3103 54.3651 38.6778 177.7039 23 G 4.1007 7.9322 104.3223 46.3800 0.0000 172.0727 24 Y 4.4571 7.5198 116.9090 57.1638 36.6526 175.3391 25 A 4.2860 7.0764 125.5098 54.4899 20.1449 178.3357 26 R 4.1369 7.5394 118.5331 54.2001 27.9864 175.4364 27 N 4.2989 7.6956 118.1667 52.7481 43.0231 174.4680 28 W 5.1064 8.1025 124.6884 57.8591 37.4735 174.5663 29 L 4.3415 7.9079 120.3904 52.6525 40.3548 175.1976 30 I 4.3160 6.9891 117.6388 61.1635 44.6602 172.3085 31 P 4.8521 0.0000 0.0000 62.4666 31.5041 175.7960 32 Q 4.4009 7.6423 116.5861 55.8427 29.5974 175.7334 33 G 4.0619 8.5165 107.6181 45.4496 0.0000 175.8012 34 L 5.2935 7.4489 125.3692 54.2245 41.1313 175.8171 35 A 4.2221 8.8841 130.1781 54.3030 23.8466 178.4501 36 V 3.2789 8.7879 105.6152 62.1641 29.3760 169.9963 37 S 3.9014 8.5993 120.0302 58.3062 62.5768 170.8198 38 A 4.4217 7.9134 124.6922 52.5553 22.5380 175.9067 39 T 4.8385 7.8052 111.5549 60.8040 69.4498 173.5816 40 R 4.5013 8.4724 116.7481 56.3752 30.6453 176.7864 41 T 4.3490 7.5688 110.4359 61.0836 67.6133 174.9812 42 N 5.2457 7.6300 111.9707 53.7612 38.1531 175.3860 43 M 4.7447 7.5254 117.3127 52.6497 33.7110 174.7233 44 K 4.6444 8.9296 123.6107 57.2529 34.4404 173.4409 45 T 4.5048 7.8946 117.1227 63.1877 65.9968 171.6226 46 L 5.0512 7.2943 118.8981 54.1336 44.5916 174.4714 47 E 5.8620 8.0406 130.7591 57.4481 29.9675 177.3771 48 A 4.6164 6.8925 122.4449 50.1178 18.2691 176.3018 49 Q 4.7002 7.0753 113.9433 55.1186 31.1924 173.1499 50 L 4.3026 8.0687 113.1625 54.7472 44.3940 172.6285 51 R 4.2365 8.5602 127.9876 56.4907 33.5494 175.2388 52 S 4.0545 8.8017 115.2092 59.8989 63.3248 172.5418 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 8.29 4.44 0.00 2.03 2.10 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 Q 8.42 3.83 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 3 V 8.77 3.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 4 I 8.27 3.21 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 1.18 0.42 0.91 0.00 0.00 5 L 7.61 4.43 0.00 1.35 1.83 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.27 4.52 0.00 1.58 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.06 4.45 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 8 P 0.00 4.88 0.00 2.25 1.99 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 S 10.24 4.08 0.00 4.05 4.09 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 10 R 7.75 4.17 0.00 1.69 1.85 0.00 3.31 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 L 9.25 3.43 0.00 1.76 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.13 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 0.00 0.00 0.00 13 K 8.33 4.47 0.00 1.68 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.52 7.81 14 T 7.84 4.13 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 1.21 0.00 0.00 15 G 8.23 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.26 4.93 0.00 1.96 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 2.17 2.15 0.00 17 V 8.06 4.17 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 0.73 0.00 0.00 0.94 0.00 0.00 18 V 7.21 4.48 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 0.89 0.00 0.00 0.94 0.00 0.00 19 S 8.31 4.57 0.00 3.99 3.84 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 0.00 0.00 0.00 0.00 20 V 8.36 3.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 21 K 7.74 4.25 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 D 8.45 4.58 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.93 4.10 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 0.00 0.00 0.00 24 Y 7.52 4.46 0.00 2.90 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 25 A 7.08 4.29 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 26 R 7.54 4.14 0.00 1.75 1.83 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 N 7.70 4.30 0.00 1.64 1.57 0.00 0.00 6.96 7.68 0.00 0.00 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 W 8.10 5.11 0.00 3.24 3.33 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 29 L 7.91 4.34 0.00 1.73 1.55 0.83 1.04 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 30 I 6.99 4.32 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.32 0.85 0.00 0.00 31 P 0.00 4.85 0.00 2.16 2.08 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 32 Q 7.64 4.40 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 33 G 8.52 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 5.29 0.00 1.55 1.48 0.90 0.79 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 35 A 8.88 4.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.79 3.28 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 0.74 0.00 0.00 1.00 0.00 0.00 37 S 8.60 3.90 0.00 4.10 3.89 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 38 A 7.91 4.42 1.21 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 0.00 0.00 0.00 39 T 7.81 4.84 4.23 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 1.22 0.00 0.00 40 R 8.47 4.50 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 41 T 7.57 4.35 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 1.21 0.00 0.00 42 N 7.63 5.25 0.00 2.78 2.86 0.00 0.00 6.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.53 4.74 0.00 1.99 2.04 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 2.54 2.47 0.00 44 K 8.93 4.64 0.00 1.90 1.73 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.18 7.81 45 T 7.89 4.50 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 1.31 0.00 0.00 46 L 7.29 5.05 0.00 1.58 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.04 5.86 0.00 2.02 1.98 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 2.05 2.10 0.00 48 A 6.89 4.62 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 49 Q 7.08 4.70 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 50 L 8.07 4.30 0.00 1.58 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.56 4.24 0.00 1.79 1.76 0.00 3.41 0.00 0.00 3.15 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 52 S 8.80 4.05 0.00 3.98 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00