NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.7193 8.3193 115.5426 58.9603 64.5713 171.2366 4 C 4.3689 9.1153 116.3676 54.3470 45.5730 169.9635 5 E 4.2556 9.2204 119.5033 55.0942 30.0814 176.1003 6 P 4.6365 0.0000 0.0000 63.5183 31.7789 177.4771 7 G 3.9375 8.6012 109.9331 45.6121 0.0000 173.3340 8 K 4.2591 8.1277 122.8580 55.4683 32.9324 175.3103 9 T 4.7289 8.5663 117.4817 61.4304 69.5946 173.4738 10 F 5.2691 8.1656 125.9705 55.5408 41.5752 174.7366 11 K 4.3912 8.8244 121.7628 55.7865 33.9514 176.9563 12 D 4.8917 8.7561 128.3074 54.0562 44.2630 177.2298 13 K 4.1366 8.1058 113.2113 57.8578 32.1422 175.7492 14 C 4.6893 9.4378 120.4462 55.9155 41.1737 173.3229 15 N 5.1794 7.4672 115.8088 51.9582 40.8092 173.6996 16 T 4.6315 8.0437 112.5452 60.7578 70.8531 173.4057 17 C 4.9615 8.0493 122.5388 54.9540 40.0435 172.8874 18 R 4.6705 8.2999 117.7730 54.7354 33.8972 174.5425 19 C 4.8812 9.4379 125.7560 56.8445 39.2215 174.3978 20 G 4.1187 9.4020 115.4261 44.8803 0.0000 173.8120 21 A 3.9361 8.5724 121.2356 55.3489 18.3880 179.5561 22 D 4.3953 8.1254 112.8909 54.1972 39.4437 177.1617 23 G 3.9628 8.2430 108.3592 46.1204 0.0000 174.8390 24 K 4.3526 8.5684 115.8798 55.5514 33.9767 175.4807 25 S 4.9688 7.6852 113.6851 56.9957 66.7481 172.0584 26 A 4.8779 8.0907 119.9843 51.5149 22.2836 175.2061 27 A 4.7199 8.5714 120.3660 50.5610 21.4773 175.0839 28 C 5.4727 8.6622 119.0404 54.9071 44.4692 174.0461 29 T 4.2198 8.0345 110.8509 61.1010 69.5336 174.3755 30 L 4.7307 7.9329 120.2785 54.1395 42.1915 177.1788 31 K 4.2134 8.4822 117.4111 55.7422 33.2639 176.9113 32 A 4.4837 8.3044 124.1072 51.1706 19.7916 177.5415 33 C 4.7578 8.5120 121.1868 54.3752 41.8750 171.9568 34 P 4.3680 0.0000 0.0000 63.0385 31.2969 176.0757 35 N 4.5227 8.7099 119.7873 53.2790 38.6539 174.9223 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 3 S 8.32 4.72 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.12 4.37 0.00 2.47 2.37 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 5 E 9.22 4.26 0.00 1.93 1.93 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 2.35 2.27 0.00 6 P 0.00 4.64 0.00 2.04 2.21 0.00 3.81 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 7 G 8.60 3.94 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 0.00 0.00 0.00 8 K 8.13 4.26 0.00 1.81 1.88 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.72 7.81 9 T 8.57 4.73 4.31 0.00 0.00 0.00 0.00 0.00 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 10 F 8.17 5.27 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.39 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.53 7.81 12 D 8.76 4.89 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.14 0.00 1.81 1.33 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 14 C 9.44 4.69 0.00 3.06 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 15 N 7.47 5.18 0.00 2.66 2.67 0.00 0.00 6.66 6.93 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 16 T 8.04 4.63 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 17 C 8.05 4.96 0.00 1.23 2.56 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 18 R 8.30 4.67 0.00 1.69 1.79 0.00 3.12 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 19 C 9.44 4.88 0.00 3.35 3.24 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 0.00 20 G 9.40 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 3.94 1.32 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 0.00 0.00 0.00 22 D 8.13 4.40 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.24 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.57 4.35 0.00 1.81 1.85 0.00 1.46 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.32 1.59 7.81 25 S 7.69 4.97 0.00 3.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.88 1.40 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 0.00 0.00 27 A 8.57 4.72 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 28 C 8.66 5.47 0.00 2.76 2.87 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 29 T 8.03 4.22 4.21 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 1.17 0.00 0.00 30 L 7.93 4.73 0.00 1.61 1.66 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.48 4.21 0.00 1.88 1.72 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.36 7.81 32 A 8.30 4.48 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 33 C 8.51 4.76 0.00 2.97 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 34 P 0.00 4.37 0.00 2.17 2.08 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 35 N 8.71 4.52 0.00 2.73 2.76 0.00 0.00 7.00 7.56 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