NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9522 8.3549 109.7365 45.7645 0.0000 173.5605 2 S 3.9136 8.7736 115.7333 61.3565 63.0500 173.4895 3 S 4.0619 7.9452 120.6404 61.3486 62.7939 173.9936 4 G 3.8579 8.7833 112.1048 44.6803 0.0000 170.8714 5 S 4.6820 8.1940 114.3182 56.6154 64.2681 174.0266 6 S 4.5205 8.8678 119.7173 58.0508 64.2332 174.3887 7 G 3.9364 9.6801 110.7094 44.8307 0.0000 171.8106 8 K 4.2279 7.6636 115.4321 55.7338 34.6132 174.0659 9 K 4.5576 8.5457 124.7062 54.0674 33.7200 174.7602 10 P 4.5114 0.0000 0.0000 62.5791 32.1525 175.4982 11 A 4.6489 8.1618 121.7216 51.0913 20.3215 178.0990 12 C 4.3065 8.3853 116.0124 56.2085 28.0238 173.2124 13 K 3.7275 7.8523 125.5400 60.7158 32.2935 177.9059 14 F 4.0064 7.6209 116.3816 57.3701 39.2713 173.4822 15 E 4.7055 8.3394 120.6328 54.3620 32.4233 174.4966 16 E 4.1337 8.7422 124.3957 57.4003 29.9790 176.9276 17 G 3.8354 9.3762 112.8509 45.2198 0.0000 172.0070 18 Q 4.4524 7.7871 121.2447 54.2917 30.6692 174.3596 19 D 4.9566 8.6821 127.0809 54.6162 41.6728 175.9396 20 V 4.5811 9.0965 116.3001 59.9900 37.4600 173.9552 21 L 5.3258 8.6555 121.0027 53.6655 43.1552 175.9610 22 A 5.1379 8.9919 126.5432 50.3145 21.6804 175.6510 23 R 4.2811 7.7984 121.7929 54.6180 30.6938 176.5976 24 W 4.1591 9.1314 127.2841 55.9790 29.9331 177.5492 25 S 4.2434 8.9910 115.2790 62.0100 62.3611 176.1520 26 D 4.4413 8.2621 119.2829 57.0955 40.6458 176.8743 27 G 4.0339 7.8397 105.0075 45.2738 0.0000 173.8759 28 L 4.6589 8.0119 119.8749 54.0495 43.7814 175.5190 29 F 5.2114 8.7756 119.6525 56.8587 40.5295 174.8804 30 Y 5.0185 9.7725 119.8052 55.9103 42.7344 174.3729 31 L 4.6336 8.9184 123.2687 55.3146 43.6920 175.7966 32 G 4.0333 8.8180 111.3844 45.7660 0.0000 171.6086 33 T 5.0590 8.0100 116.7219 61.1257 71.5630 174.2668 34 I 3.8160 8.4469 127.7214 61.7941 37.5182 176.6070 35 K 4.4098 9.0783 126.1132 57.2135 34.6564 176.5218 36 K 4.7999 7.6121 116.5488 54.9177 37.2500 175.9371 37 I 5.0601 8.4617 121.5121 60.1276 40.4804 174.3487 38 N 4.8041 9.9868 128.0246 52.2584 39.6460 175.8843 39 I 3.4904 8.5700 127.7807 63.8732 38.0237 178.3204 40 L 3.8394 8.0164 119.2248 57.4051 41.4185 178.0934 41 K 4.0414 8.4100 114.8661 55.4490 32.9111 176.2126 42 Q 2.0000 6.9621 118.1343 56.5274 26.6588 172.3360 43 S 5.3660 7.6751 111.0365 57.3649 67.7451 172.8214 44 C 5.2570 9.5351 116.6289 58.6383 32.8758 173.9141 45 F 3.9383 7.8695 126.8643 57.6935 38.7939 173.6180 46 I 4.5639 7.4811 125.6533 59.2090 40.2476 174.9776 47 I 4.4541 8.0313 126.8755 59.5624 38.7476 175.4942 48 F 5.4175 8.9172 126.4921 56.4700 39.6754 176.8857 49 E 4.1684 9.3452 120.9826 59.8050 29.3960 178.0460 50 D 4.6590 8.3797 117.0884 53.9587 40.6290 176.5863 51 S 4.1412 8.4634 113.5846 59.5390 61.2648 171.7416 52 S 4.8783 7.6845 116.0029 56.9334 64.7757 173.3358 53 K 4.5702 8.6245 124.3511 55.1319 32.8774 176.3790 54 S 4.5983 7.9416 120.2046 56.6528 67.6902 173.5695 55 W 4.4868 9.1352 124.5203 56.7552 28.9342 175.7795 56 V 4.1292 8.6096 125.9574 61.6236 32.9236 175.4880 57 L 4.7055 8.4332 126.4167 54.0613 42.1188 178.0694 58 W 4.7385 9.3905 123.4321 59.8489 29.2897 178.6055 59 K 4.0300 8.2622 115.9265 58.8934 32.8370 177.3968 60 D 4.6130 8.7749 118.9226 55.1455 41.2970 175.6039 61 I 4.5304 7.2885 120.4674 60.1557 37.9222 175.2472 62 Q 4.4653 9.7506 130.9092 55.4915 30.2943 174.7307 63 T 3.9495 8.6756 117.8107 61.1689 68.9899 174.1598 64 G 3.5649 9.0005 116.7197 45.5302 0.0000 171.9404 65 A 3.8378 7.8345 126.7599 51.5460 18.6856 177.7784 66 T 4.0241 8.4586 118.1472 64.4073 68.4708 174.6431 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 G 8.35 3.95 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 0.00 0.00 0.00 2 S 8.77 3.91 0.00 3.95 3.93 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 3 S 7.95 4.06 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.78 3.86 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 0.00 0.00 0.00 5 S 8.19 4.68 0.00 3.86 3.80 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 0.00 0.00 0.00 0.00 6 S 8.87 4.52 0.00 3.94 3.93 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 7 G 9.68 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 7.66 4.23 0.00 1.68 1.64 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.34 7.81 9 K 8.55 4.56 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 P 0.00 4.51 0.00 2.36 2.18 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 11 A 8.16 4.65 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 12 C 8.39 4.31 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.73 0.00 1.63 1.84 0.00 1.29 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.89 0.72 7.81 14 F 7.62 4.01 0.00 2.84 2.96 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 15 E 8.34 4.71 0.00 1.85 1.77 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 2.18 2.23 0.00 16 E 8.74 4.13 0.00 2.01 1.89 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 2.33 2.34 0.00 17 G 9.38 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 0.00 0.00 0.00 18 Q 7.79 4.45 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 19 D 8.68 4.96 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 4.58 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 21 L 8.66 5.33 0.00 1.76 1.96 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.99 5.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.28 0.00 0.67 1.48 0.00 3.36 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.00 24 W 9.13 4.16 0.00 3.37 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 25 S 8.99 4.24 0.00 4.03 4.02 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 26 D 8.26 4.44 0.00 2.77 2.80 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 0.00 0.00 0.00 0.00 27 G 7.84 4.03 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 0.00 0.00 0.00 28 L 8.01 4.66 0.00 1.83 1.54 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.78 5.21 0.00 2.91 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.77 5.02 0.00 3.52 3.31 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 0.00 31 L 8.92 4.63 0.00 1.85 1.67 0.96 0.89 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 32 G 8.82 4.03 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 0.00 0.00 0.00 33 T 8.01 5.06 4.14 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 1.20 0.00 0.00 34 I 8.45 3.82 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.85 0.90 0.00 0.00 35 K 9.08 4.41 0.00 1.59 1.80 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.21 7.81 36 K 7.61 4.80 0.00 1.43 1.84 0.00 1.87 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.51 7.81 37 I 8.46 5.06 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 1.24 0.00 0.00 38 N 9.99 4.80 0.00 2.34 2.41 0.00 0.00 6.09 7.10 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 39 I 8.57 3.49 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.77 1.10 0.00 0.00 40 L 8.02 3.84 0.00 1.52 1.61 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.41 4.04 0.00 1.29 1.55 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.44 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.18 1.09 7.81 42 Q 6.96 2.00 0.00 1.80 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.48 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 43 S 7.68 5.37 0.00 4.31 3.98 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 44 C 9.54 5.26 0.00 2.65 2.80 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 0.00 0.00 0.00 0.00 45 F 7.87 3.94 0.00 1.51 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.48 4.56 1.35 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.04 0.35 0.00 0.00 47 I 8.03 4.45 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.86 0.00 0.00 48 F 8.92 5.42 0.00 3.23 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 49 E 9.35 4.17 0.00 2.08 2.13 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 2.41 2.39 0.00 50 D 8.38 4.66 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.46 4.14 0.00 3.97 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 52 S 7.68 4.88 0.00 4.12 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 53 K 8.62 4.57 0.00 1.44 0.74 0.00 1.81 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.42 7.81 54 S 7.94 4.60 0.00 3.17 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 55 W 9.14 4.49 0.00 3.22 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 56 V 8.61 4.13 2.04 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 1.02 0.00 0.00 0.91 0.00 0.00 57 L 8.43 4.71 0.00 1.81 1.62 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 58 W 9.39 4.74 0.00 3.47 3.50 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 59 K 8.26 4.03 0.00 1.99 2.08 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.56 7.81 60 D 8.77 4.61 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.29 4.53 2.06 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.73 1.03 0.00 0.00 62 Q 9.75 4.47 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.28 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 63 T 8.68 3.95 4.16 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 0.00 0.00 0.00 1.06 0.00 0.00 64 G 9.00 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 0.00 0.00 0.00 65 A 7.83 3.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.46 4.02 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00