NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1204 8.2649 123.5675 52.1336 19.8951 176.6011 2 C 4.5245 7.8976 116.5211 55.6059 42.9722 171.4766 3 Y 4.9027 9.5145 119.3216 56.6764 43.0363 173.0403 4 C 5.5389 8.7145 118.0470 55.5974 39.5820 173.7782 5 R 5.2667 9.3670 121.6245 54.6385 34.4812 174.0852 6 I 4.9122 8.6931 122.5808 59.1340 39.4741 173.7978 7 P 4.5542 0.0000 0.0000 62.8479 32.1591 174.5933 8 A 4.5909 7.3097 120.1370 51.0862 21.9421 176.1807 9 C 4.5822 8.5191 117.5195 56.9006 35.3475 173.7190 10 I 4.2599 8.2639 114.6060 59.1786 38.7180 175.2500 11 A 4.1478 8.2152 124.4833 53.8727 18.4800 178.0678 12 G 4.0569 9.2468 110.4495 45.0856 0.0000 172.8448 13 E 4.9011 7.6943 117.3765 54.2527 33.0836 174.8423 14 R 4.4960 8.7697 121.0982 54.3745 32.6804 174.8042 15 R 4.4549 8.4018 126.9430 56.6832 30.1040 175.3400 16 Y 4.4030 9.2309 124.3058 57.7062 39.3084 177.5513 17 G 4.2861 7.4104 107.8691 46.4994 0.0000 171.4856 18 T 5.3085 8.4962 119.1972 62.1178 72.5319 174.2408 19 C 4.8821 9.5934 122.9300 55.7173 42.8635 172.9730 20 I 5.0142 8.4081 123.3012 59.9871 38.5700 174.9270 21 Y 4.4716 9.0545 128.8039 56.6872 41.2032 175.1953 22 Q 2.9621 9.4110 128.5869 57.0643 26.1797 174.8762 23 G 3.9089 8.4140 101.9896 45.4632 0.0000 172.7011 24 A 4.7660 8.0414 121.6558 50.0107 22.1614 175.0586 25 L 5.4243 8.0984 119.1525 53.4321 43.5709 176.3050 26 W 5.3457 9.2157 121.1168 54.6822 34.3158 174.3141 27 A 4.5432 9.3958 125.2422 52.0986 19.3566 176.3169 28 F 5.3221 9.4042 125.9422 57.4135 41.1440 173.9388 29 C 5.4407 8.6812 123.1902 55.3046 41.0676 173.6571 30 C 4.5850 9.1890 119.7360 57.1117 41.8356 173.9547 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 8.26 4.12 0.98 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 0.00 0.00 0.00 0.00 0.00 2 C 7.90 4.52 0.00 2.75 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.51 4.90 0.00 2.76 2.74 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 4 C 8.71 5.54 0.00 2.19 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.37 5.27 0.00 1.90 1.94 0.00 3.09 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 6 I 8.69 4.91 1.60 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.15 0.73 0.00 0.00 7 P 0.00 4.55 0.00 2.15 2.11 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 8 A 7.31 4.59 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 9 C 8.52 4.58 0.00 2.97 3.20 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 10 I 8.26 4.26 1.85 0.00 0.00 0.78 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 0.62 0.88 0.00 0.00 11 A 8.22 4.15 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 12 G 9.25 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 13 E 7.69 4.90 0.00 2.12 1.84 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 2.27 2.21 0.00 14 R 8.77 4.50 0.00 1.75 1.60 0.00 2.94 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.81 0.00 15 R 8.40 4.45 0.00 1.83 1.75 0.00 3.31 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 16 Y 9.23 4.40 0.00 3.09 3.23 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 17 G 7.41 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 5.31 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 1.37 0.00 0.00 19 C 9.59 4.88 0.00 3.00 3.02 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 0.00 0.00 0.00 0.00 20 I 8.41 5.01 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.98 0.00 0.00 21 Y 9.05 4.47 0.00 2.80 2.36 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 0.00 22 Q 9.41 2.96 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 1.16 1.69 0.00 23 G 8.41 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.04 4.77 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 5.42 0.00 1.51 1.65 0.93 0.91 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 26 W 9.22 5.35 0.00 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.40 4.54 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 28 F 9.40 5.32 0.00 3.16 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 29 C 8.68 5.44 0.00 2.89 3.02 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 0.00 0.00 0.00 0.00 30 C 9.19 4.59 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00