NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4839 0.0000 0.0000 62.3910 33.6058 175.0866 2 I 4.6972 8.2667 123.0939 59.2311 40.3663 172.8309 3 A 4.7371 9.1246 130.0453 49.9892 21.9986 174.5384 4 Q 4.8524 8.7220 123.2932 54.4681 31.2831 174.4125 5 I 4.4491 8.6776 128.3632 59.9975 39.5865 174.4855 6 H 5.2513 8.8168 124.3655 54.2420 29.9975 174.2960 7 I 4.6177 8.4996 116.8199 58.5506 41.1706 174.9579 8 L 4.6328 8.3363 123.6066 54.3272 42.0447 176.8918 9 E 3.9990 9.1750 121.6159 57.0905 30.1120 176.5578 10 G 3.4284 8.6897 114.0928 45.7052 0.0000 174.2284 11 R 4.3589 7.4752 119.7448 55.4698 31.2577 176.5655 12 S 4.5586 8.4264 115.1335 57.6898 65.6344 175.1449 13 D 4.3601 8.4546 121.6632 57.5979 40.5412 178.9483 14 E 4.0160 8.0923 118.6670 59.4109 29.5442 179.2257 15 Q 4.0179 7.9190 117.9833 58.9065 28.8006 178.8604 16 K 4.0759 8.1004 119.3975 58.9767 32.0773 179.0820 17 E 3.9877 8.1716 119.9727 59.2522 29.4788 179.0584 18 T 3.8400 7.9807 115.9714 66.4415 68.5863 176.2930 19 L 3.9336 7.9068 122.2282 58.5003 41.9283 179.1579 20 I 3.7101 7.8326 119.4936 64.1701 36.9474 178.5520 21 R 3.8851 7.7621 119.1775 59.4074 30.0442 178.1226 22 E 3.8935 8.4805 118.7570 59.7276 29.6490 179.6742 23 V 3.6237 7.9258 117.9223 66.1474 31.6550 178.2655 24 S 4.1604 7.8811 115.1676 61.4412 62.5883 176.5618 25 E 3.9532 8.2696 121.1670 59.3082 29.3648 178.8925 26 A 4.0446 8.0564 120.7926 55.4313 18.3196 179.8753 27 I 3.6851 7.7246 117.8651 64.3426 37.2512 178.3966 28 S 4.1536 7.8906 113.8134 61.6085 62.4222 176.5711 29 R 3.9947 8.4372 119.0597 59.2957 29.0629 178.8815 30 S 4.2719 7.9814 115.1153 60.4233 62.9117 175.4949 31 L 4.5306 7.6763 118.3551 53.1286 42.3357 175.6184 32 D 4.3311 7.4695 115.8715 55.1215 40.2212 172.8708 33 A 4.7289 7.7509 118.9147 48.9052 21.1297 176.0887 34 P 4.3070 0.0000 0.0000 62.5524 32.1385 176.9675 35 L 3.9129 8.8883 124.8882 58.4203 41.9810 178.9358 36 T 3.9943 7.9300 106.9543 63.7600 68.6322 174.7113 37 S 4.4256 8.0028 116.1665 59.2017 63.9078 174.6809 38 V 4.0109 7.5529 122.2032 62.9086 32.0823 175.4987 39 R 4.6679 8.8206 126.1327 54.3940 33.2967 174.5128 40 V 4.8946 8.5260 123.3120 61.0985 34.5508 174.6280 41 I 4.6147 8.6328 126.5754 59.6571 40.7211 174.1776 42 I 4.7426 8.4393 127.5868 59.9414 39.1838 175.2354 43 T 4.4938 8.7198 123.1452 61.7593 71.2876 173.1548 44 E 4.8007 8.8227 126.2694 56.0012 31.0135 175.8945 45 M 4.8381 8.9126 122.6227 53.2435 35.1050 175.3976 46 A 4.7346 8.4424 124.4606 51.0502 19.4587 178.6328 47 K 3.5448 9.5271 121.2330 59.1598 32.3727 178.7941 48 G 4.1733 8.0127 105.3218 45.6624 0.0000 173.4995 49 H 4.9488 8.9742 115.4109 54.9757 29.8141 173.4469 50 F 5.1142 8.1914 122.7086 56.2514 41.4576 173.6872 51 G 4.1297 8.3488 116.5341 43.5904 0.0000 172.6398 52 I 4.0111 8.2105 123.3619 59.9979 39.4390 175.9670 53 G 3.9147 9.4457 113.0312 46.1712 0.0000 173.3686 54 G 3.9801 8.3804 108.9381 44.8634 0.0000 174.2313 55 E 4.4896 7.5966 118.7189 54.6436 31.0897 175.8487 56 L 4.4443 8.1083 120.9720 54.3714 42.5099 178.2788 57 A 4.0461 8.9224 125.7967 55.3283 18.5602 179.6320 58 S 4.2896 7.9549 110.0814 60.1377 63.3334 174.4980 59 K 4.1732 7.6934 124.4027 56.6881 32.3371 175.6201 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.50 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 2.01 2.12 0.00 2 I 8.27 4.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.91 0.00 0.00 3 A 9.12 4.74 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 4 Q 8.72 4.85 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 5 I 8.68 4.45 1.84 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 1.21 0.63 0.88 0.00 0.00 6 H 8.82 5.25 0.00 2.90 3.11 0.00 5.84 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 7 I 8.50 4.62 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.13 0.86 0.00 0.00 8 L 8.34 4.63 0.00 1.52 1.63 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.18 4.00 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 10 G 8.69 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 4.36 0.00 1.80 1.98 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.43 4.56 0.00 4.22 3.99 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 D 8.45 4.36 0.00 2.78 2.75 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 0.00 0.00 0.00 0.00 14 E 8.09 4.02 0.00 2.05 1.99 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 2.39 2.45 0.00 15 Q 7.92 4.02 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.10 4.08 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.17 3.99 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 18 T 7.98 3.84 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 19 L 7.91 3.93 0.00 1.85 1.85 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.83 3.71 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.90 0.00 0.00 21 R 7.76 3.89 0.00 1.86 2.14 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.48 3.89 0.00 1.97 1.98 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 2.50 2.47 0.00 23 V 7.93 3.62 2.20 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 1.02 0.00 0.00 0.92 0.00 0.00 24 S 7.88 4.16 0.00 4.12 3.89 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 0.00 0.00 0.00 25 E 8.27 3.95 0.00 2.17 1.98 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 2.32 2.32 0.00 26 A 8.06 4.04 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 27 I 7.72 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.91 0.00 0.00 28 S 7.89 4.15 0.00 4.04 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 29 R 8.44 3.99 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 7.98 4.27 0.00 4.05 3.97 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 31 L 7.68 4.53 0.00 1.61 1.67 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.47 4.33 0.00 2.85 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 33 A 7.75 4.73 1.24 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 0.00 0.00 34 P 0.00 4.31 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.89 3.91 0.00 1.74 1.72 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.93 3.99 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 1.21 0.00 0.00 37 S 8.00 4.43 0.00 3.97 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 38 V 7.55 4.01 2.17 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 0.75 0.00 0.00 0.97 0.00 0.00 39 R 8.82 4.67 0.00 1.74 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.89 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.63 4.61 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.87 0.00 0.00 42 I 8.44 4.74 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 8.72 4.49 3.89 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 0.00 0.00 1.16 0.00 0.00 44 E 8.82 4.80 0.00 1.83 1.85 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 2.25 2.30 0.00 45 M 8.91 4.84 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 46 A 8.44 4.73 1.06 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 47 K 9.53 3.54 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.56 7.81 48 G 8.01 4.17 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 0.00 0.00 0.00 49 H 8.97 4.95 0.00 3.38 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.11 0.00 2.97 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 51 G 8.35 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 52 I 8.21 4.01 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.61 0.82 0.00 0.00 53 G 9.45 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 54 G 8.38 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 0.00 0.00 0.00 55 E 7.60 4.49 0.00 1.92 1.83 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 2.24 2.38 0.00 56 L 8.11 4.44 0.00 1.74 1.59 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.92 4.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.95 4.29 0.00 3.96 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 0.00 59 K 7.69 4.17 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.33 7.81