NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 4.8727 8.2593 130.5404 57.6763 30.8850 173.3799 2 C 4.3485 7.7596 117.2886 53.2710 38.3083 171.7232 3 K 4.2205 8.0518 118.9010 54.1398 34.5029 177.0255 4 Q 3.9606 8.5807 125.2644 56.7003 29.9954 176.1918 5 S 4.4187 8.7567 121.9737 62.4178 61.7068 172.5873 6 G 3.7678 8.1976 116.2263 44.3076 0.0000 171.5867 7 E 4.4645 8.0232 122.0114 54.9680 32.5572 174.5631 8 M 4.5954 8.0387 120.3458 56.6936 32.5004 173.3793 9 C 5.3428 8.3560 121.8846 53.6282 44.9482 172.5320 10 N 5.1786 8.5165 115.0991 52.1641 41.5327 174.7924 11 L 4.3326 8.5480 122.5773 56.1664 42.3590 177.6878 12 L 4.6081 7.9571 116.6419 55.1064 44.4158 176.3641 13 D 4.9643 7.5451 115.9464 53.2523 41.1656 175.1426 14 Q 4.3711 7.7713 119.5963 56.2631 30.9691 174.7838 15 N 4.9908 8.0801 117.0518 52.0099 39.6470 175.3710 16 C 4.6949 8.0365 114.8141 56.9488 41.4906 175.3264 17 C 4.2826 8.2760 121.6213 59.6732 43.3285 175.7690 18 D 4.6210 7.4726 116.7205 52.1384 42.2033 174.8340 19 G 4.4337 7.4571 111.8734 45.1681 0.0000 175.9779 20 Y 4.7639 8.8613 122.4737 57.1036 42.7610 172.2785 21 C 5.3259 9.0330 121.4128 55.0294 45.0590 172.7270 22 I 4.4520 8.2223 119.6425 59.7971 39.0740 174.1772 23 V 3.5785 8.3552 123.4754 63.2771 31.4310 172.4803 24 L 4.7349 7.6751 113.1376 54.7872 45.5242 175.4695 25 V 5.5769 8.1365 112.3855 59.4239 36.1380 174.5336 26 C 4.9376 8.9310 122.2883 57.4366 37.5422 173.6658 27 T 4.2435 8.6979 114.7851 62.4511 67.4997 173.4763 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 W 8.26 4.87 0.00 3.37 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.76 4.35 0.00 2.95 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 3 K 8.05 4.22 0.00 1.68 1.61 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.97 1.29 7.81 4 Q 8.58 3.96 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 5 S 8.76 4.42 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.46 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 8 M 8.04 4.60 0.00 2.08 2.01 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 2.63 2.56 0.00 9 C 8.36 5.34 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 5.18 0.00 2.73 2.80 0.00 0.00 6.92 7.80 0.00 0.00 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 L 8.55 4.33 0.00 1.70 1.72 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.96 4.61 0.00 1.60 1.68 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.55 4.96 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 4.37 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.16 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 15 N 8.08 4.99 0.00 2.74 2.69 0.00 0.00 6.98 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 16 C 8.04 4.69 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.28 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.47 4.62 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.46 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.86 4.76 0.00 2.94 2.81 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 21 C 9.03 5.33 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 22 I 8.22 4.45 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.92 0.00 0.00 23 V 8.36 3.58 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 0.78 0.00 0.00 0.93 0.00 0.00 24 L 7.68 4.73 0.00 1.60 1.58 0.93 0.81 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 25 V 8.14 5.58 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 0.98 0.00 0.00 0.97 0.00 0.00 26 C 8.93 4.94 0.00 2.85 2.97 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 27 T 8.70 4.24 4.27 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 1.34 0.00 0.00