NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9062 8.3393 109.7416 44.6718 0.0000 173.8845 2 S 4.5210 7.9211 114.5128 56.3178 64.2938 170.5289 3 H 4.8123 8.3383 121.9972 54.9057 36.4204 174.6522 4 T 4.0030 7.2353 107.9589 60.7556 69.8822 171.0940 5 P 4.5629 0.0000 0.0000 61.8181 32.3645 175.3703 6 D 4.4922 8.3931 118.7302 54.1364 39.8062 176.3664 7 E 4.7246 9.1573 123.1204 55.7723 32.9734 174.6904 8 S 5.8165 8.6982 115.5275 57.2159 68.1057 173.4208 9 F 5.1888 8.8334 117.6613 55.3326 41.2190 173.7447 10 L 4.2309 8.5717 123.4020 53.2860 41.9792 174.4884 11 C 4.8767 8.9907 122.0781 57.3556 34.2936 172.5840 12 Y 4.8102 8.6140 121.6556 57.7729 39.3398 174.9221 13 Q 4.9848 9.4751 121.0503 53.2989 32.3755 175.0511 14 P 4.4050 0.0000 0.0000 65.0595 31.4532 177.4000 15 D 4.3576 7.5819 115.7277 52.1848 40.3672 174.7056 16 Q 4.8198 7.5517 118.4648 56.6349 32.7910 172.4920 17 V 4.8563 8.3317 121.9638 61.4879 34.9419 173.2542 18 C 5.3432 9.1168 125.0514 55.1598 41.2118 172.0894 19 C 5.2877 9.1813 123.7027 54.6997 45.1980 172.6741 20 F 5.1949 8.2806 122.9372 54.6157 43.1459 174.1428 21 I 5.6153 8.4852 120.4734 59.1170 39.8698 174.6198 22 C 4.9803 8.5745 120.6655 57.3212 32.4499 174.5749 23 R 4.5608 8.1955 114.9715 56.0146 30.8918 176.9566 24 G 4.0670 7.7996 105.8232 44.7798 0.0000 173.0954 25 A 4.6296 7.9995 124.2842 53.0133 20.7478 176.2460 26 A 4.4270 8.4323 124.9127 53.0109 20.7904 175.7861 27 P 4.2511 0.0000 0.0000 62.7433 31.3722 176.0081 28 L 5.1583 8.0000 122.4786 52.0096 43.6430 176.5997 29 P 4.7075 0.0000 0.0000 62.4691 30.7955 177.5824 30 S 4.3617 8.9150 116.7600 61.9001 63.7599 174.0865 31 E 4.3709 7.8106 112.4567 53.5529 30.4295 173.0222 32 G 4.0314 8.8767 110.9485 44.6078 0.0000 173.3301 33 E 4.4593 8.6233 120.7044 55.9027 29.7834 174.7716 34 C 4.6143 7.9441 116.9170 56.6568 34.1782 172.6139 35 N 5.3128 8.8345 123.1361 50.6677 41.9294 171.7437 36 P 4.4796 0.0000 0.0000 63.9978 31.8565 176.6840 37 H 4.7844 9.1242 124.0537 55.4108 30.7930 172.1326 38 P 3.9265 0.0000 0.0000 64.4998 32.0224 176.4774 39 T 4.3400 6.8658 115.7058 63.1947 69.8650 172.3173 40 A 4.1668 7.4832 120.3382 51.7282 21.1811 175.4287 41 P 4.5536 0.0000 0.0000 63.3385 31.9314 177.5237 42 W 4.9506 7.4426 113.3368 57.5840 30.5557 176.6765 43 C 2.9717 6.5202 115.1859 58.8035 39.6380 174.5351 44 R 4.1816 7.4637 116.9773 57.1162 31.5495 176.1035 45 E 4.0413 8.3469 117.7001 58.9575 30.0147 177.1936 46 G 4.1317 8.1460 106.1044 44.5427 0.0000 173.7154 47 A 4.5225 7.6450 120.0611 49.7941 20.3330 176.7466 48 V 3.6517 8.2197 121.6684 62.9372 31.9062 176.3738 49 E 5.0512 6.9029 121.8710 55.1946 32.5468 175.7066 50 W 4.8510 8.1413 129.9428 55.2616 33.4873 175.7413 51 V 3.7795 6.8200 114.3810 59.7649 31.6176 174.6067 52 P 4.2268 0.0000 0.0000 63.5618 31.5499 176.1959 53 Y 4.8207 8.7225 123.6348 56.9242 39.9125 176.2397 54 S 4.1219 7.5520 117.5874 60.8351 63.2837 175.2372 55 T 4.3770 8.9965 108.0969 61.1723 70.1647 173.8386 56 G 5.2728 7.5423 126.2179 45.3410 0.0000 171.7490 57 Q 4.8690 8.1680 129.3941 55.3924 30.6789 173.2254 58 C 4.6103 8.1444 120.6386 58.8484 37.8040 175.8583 59 R 4.3424 8.8862 113.6397 56.3378 30.6335 175.5653 60 T 4.8385 8.4301 116.6461 62.1823 73.2871 172.6455 61 T 4.5947 8.7256 118.6126 60.8063 71.0214 172.0183 62 C 5.4313 8.7584 128.0320 55.1177 41.6066 172.7768 63 I 4.4510 8.3716 115.2888 59.0675 40.5577 171.7482 64 P 5.1913 0.0000 0.0000 61.1538 31.9171 174.9427 65 Y 3.8768 9.3205 123.5961 59.3458 38.4024 177.1906 66 V 4.2737 7.5486 121.6221 62.4157 33.9622 175.8490 67 E 4.1363 8.3099 123.6387 56.6847 29.2499 176.5306 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 8.34 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 2 S 7.92 4.52 0.00 4.00 3.83 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 3 H 8.34 4.81 0.00 3.09 3.28 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.24 4.00 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 1.22 0.00 0.00 5 P 0.00 4.56 0.00 2.20 2.04 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 6 D 8.39 4.49 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.72 0.00 1.85 1.90 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 2.44 2.37 0.00 8 S 8.70 5.82 0.00 3.83 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 9 F 8.83 5.19 0.00 3.06 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 10 L 8.57 4.23 0.00 1.58 0.88 1.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.99 4.88 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.61 4.81 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.48 4.98 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 14 P 0.00 4.41 0.00 2.02 2.10 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 D 7.58 4.36 0.00 3.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.55 4.82 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 17 V 8.33 4.86 1.79 0.00 0.00 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 0.53 0.00 0.00 18 C 9.12 5.34 0.00 2.92 2.91 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 19 C 9.18 5.29 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 5.19 0.00 2.54 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 5.62 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.70 0.91 0.00 0.00 22 C 8.57 4.98 0.00 2.97 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 23 R 8.20 4.56 0.00 1.93 2.23 0.00 2.78 0.00 0.00 3.52 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 24 G 7.80 4.07 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 0.00 0.00 0.00 25 A 8.00 4.63 1.15 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 0.00 0.00 0.00 26 A 8.43 4.43 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 27 P 0.00 4.25 0.00 1.86 1.97 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 28 L 8.00 5.16 0.00 1.79 1.77 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.71 0.00 2.08 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 30 S 8.92 4.36 0.00 3.89 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 31 E 7.81 4.37 0.00 2.05 1.78 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 2.19 2.30 0.00 32 G 8.88 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 E 8.62 4.46 0.00 2.56 2.28 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 2.54 2.49 0.00 34 C 7.94 4.61 0.00 3.36 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.83 5.31 0.00 3.25 2.92 0.00 0.00 7.21 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.48 0.00 2.03 2.06 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 37 H 9.12 4.78 0.00 3.12 3.17 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 3.93 0.00 2.10 1.94 0.00 3.66 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 2.13 2.15 0.00 39 T 6.87 4.34 4.13 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 1.12 0.00 0.00 40 A 7.48 4.17 0.67 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 0.00 0.00 41 P 0.00 4.55 0.00 2.17 2.15 0.00 3.76 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 2.14 2.12 0.00 42 W 7.44 4.95 0.00 3.59 3.21 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 43 C 6.52 2.97 0.00 2.30 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.46 4.18 0.00 1.60 1.82 0.00 3.22 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 45 E 8.35 4.04 0.00 2.04 2.03 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 2.31 2.36 0.00 46 G 8.15 4.13 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 0.00 0.00 0.00 47 A 7.65 4.52 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 48 V 8.22 3.65 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 49 E 6.90 5.05 0.00 2.03 1.95 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 2.12 2.05 0.00 50 W 8.14 4.85 0.00 3.33 3.41 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 0.00 0.00 0.00 0.00 51 V 6.82 3.78 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 0.55 0.00 0.00 -0.34 0.00 0.00 52 P 0.00 4.23 0.00 2.05 2.08 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 53 Y 8.72 4.82 0.00 3.24 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 54 S 7.55 4.12 0.00 3.41 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 55 T 9.00 4.38 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 1.24 0.00 0.00 56 G 7.54 5.27 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 0.00 0.00 0.00 0.00 57 Q 8.17 4.87 0.00 1.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 58 C 8.14 4.61 0.00 3.12 2.50 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 R 8.89 4.34 0.00 1.91 2.07 0.00 3.13 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 60 T 8.43 4.84 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 -0.40 0.00 0.00 61 T 8.73 4.59 4.39 0.00 0.00 0.00 0.00 0.00 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 62 C 8.76 5.43 0.00 2.94 2.88 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 0.00 0.00 0.00 63 I 8.37 4.45 1.38 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.43 0.00 0.00 64 P 0.00 5.19 0.00 2.16 2.14 0.00 3.23 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 65 Y 9.32 3.88 0.00 2.91 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 66 V 7.55 4.27 2.12 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 0.87 0.00 0.00 0.94 0.00 0.00 67 E 8.31 4.14 0.00 1.99 1.94 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 2.34 2.39 0.00