NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3149 8.2649 123.5340 51.9278 19.9427 175.6926 2 F 4.7664 8.4903 117.1792 55.5489 42.6119 172.9433 3 T 4.6464 9.6252 121.1412 62.0937 71.0590 172.6468 4 C 5.3576 8.4937 122.3273 55.6779 42.5744 173.1177 5 H 4.7493 8.8331 117.4147 54.3565 33.2549 172.5232 6 C 5.1273 8.8375 120.0164 56.6800 38.3210 172.9699 7 R 4.6260 8.7450 123.2344 53.8651 33.0385 177.3849 8 R 3.6301 8.3835 122.2169 58.8059 30.3319 177.1422 9 S 4.6737 7.4504 109.3140 56.2553 66.0322 174.2903 10 C 4.4797 8.5632 120.1565 56.8630 39.5615 173.4180 11 Y 4.6993 8.7233 121.3517 57.8918 38.0823 177.8064 12 S 4.2251 8.7094 116.5565 61.5662 63.0836 175.4718 13 T 4.2146 8.0255 108.5987 62.4802 69.0631 173.5785 14 E 5.0684 8.2182 122.0772 55.2013 32.4756 174.3856 15 Y 4.7345 8.7266 120.3055 56.1595 42.8896 173.5324 16 S 5.1446 7.8503 119.7775 57.9136 63.1308 173.1525 17 Y 4.4514 9.9812 124.4680 57.1874 38.5737 177.4254 18 G 4.0487 6.5518 106.2419 46.4815 0.0000 171.2022 19 T 5.2260 8.1974 117.6923 61.9780 72.4240 174.2440 20 C 5.0968 9.2819 122.6766 55.4895 43.1428 173.0370 21 T 5.1811 8.5807 119.6999 61.6914 71.5316 173.7722 22 V 4.2489 8.5388 125.1675 61.8624 34.3949 175.8672 23 M 3.4728 8.3931 129.6742 56.9173 31.2838 178.2386 24 G 3.9118 8.8941 115.8895 46.6931 0.0000 172.3490 25 I 4.3175 8.0888 122.3956 59.3504 38.6553 174.1904 26 N 5.3224 8.6999 122.4674 52.0671 40.3791 174.0350 27 H 4.9577 9.3351 121.9775 54.6935 31.5618 174.6261 28 R 4.7567 9.1342 119.5351 55.3660 32.2373 176.3309 29 F 4.6983 9.1561 126.1874 57.6187 39.3108 172.4510 30 C 5.1820 9.0771 122.9033 55.9523 36.5979 171.9047 31 C 5.4937 9.6199 121.0460 54.8928 45.2345 174.0158 32 L 4.4835 8.8647 123.6300 55.2658 42.0270 175.9544 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 4.31 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 2 F 8.49 4.77 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.63 4.65 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 1.20 0.00 0.00 4 C 8.49 5.36 0.00 2.11 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 0.00 0.00 0.00 5 H 8.83 4.75 0.00 2.78 2.99 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.84 5.13 0.00 2.91 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 4.63 0.00 1.57 1.70 0.00 2.91 0.00 0.00 2.75 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 8 R 8.38 3.63 0.00 1.62 1.87 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 9 S 7.45 4.67 0.00 3.94 3.74 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 10 C 8.56 4.48 0.00 2.96 3.06 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 11 Y 8.72 4.70 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.71 4.23 0.00 4.01 4.04 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 13 T 8.03 4.21 4.33 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 1.26 0.00 0.00 14 E 8.22 5.07 0.00 2.02 1.96 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 2.27 2.29 0.00 15 Y 8.73 4.73 0.00 3.19 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 16 S 7.85 5.14 0.00 3.81 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.98 4.45 0.00 3.09 3.06 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 18 G 6.55 4.05 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 0.00 19 T 8.20 5.23 4.25 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 1.28 0.00 0.00 20 C 9.28 5.10 0.00 2.91 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 5.18 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 1.28 0.00 0.00 22 V 8.54 4.25 2.05 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 0.99 0.00 0.00 0.91 0.00 0.00 23 M 8.39 3.47 0.00 2.14 1.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 24 G 8.89 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 25 I 8.09 4.32 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.88 0.00 0.00 26 N 8.70 5.32 0.00 2.59 2.76 0.00 0.00 7.06 8.16 0.00 0.00 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 H 9.34 4.96 0.00 3.18 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.13 4.76 0.00 1.67 1.84 0.00 3.24 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 29 F 9.16 4.70 0.00 3.15 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 30 C 9.08 5.18 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 9.62 5.49 0.00 2.51 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.86 4.48 0.00 1.71 1.48 1.01 0.96 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