NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2507 8.1233 122.4566 51.7830 20.8079 176.1049 2 D 4.5449 8.5301 120.6509 53.1698 40.1247 175.5042 3 C 4.4456 9.2429 124.9481 59.7617 37.2850 174.2518 4 A 4.5735 7.1693 116.5147 51.0332 22.1059 175.5866 5 K 4.7957 9.0564 121.2496 53.4181 35.4330 176.5197 6 G 3.8734 7.7172 112.8256 45.7742 0.0000 171.4969 7 K 4.6396 8.0034 118.4001 55.6090 33.0112 176.8203 8 I 4.1581 8.0857 122.4316 61.1292 37.3778 176.1043 9 E 4.3769 9.2448 127.1081 59.2124 30.0082 177.2571 10 F 5.1136 7.4022 111.7937 55.9186 40.9769 173.2590 11 S 5.2400 8.7798 113.8901 56.8796 66.6603 173.0400 12 K 4.4554 8.0730 120.7474 55.4878 36.0693 173.7556 13 Y 4.7210 8.7616 128.7392 57.0319 40.3515 174.1114 14 N 5.0986 8.2678 123.5853 51.2276 41.0551 175.9352 15 E 4.0402 8.7064 119.5578 59.0861 29.6562 177.7313 16 D 4.6740 7.9467 116.7058 52.8721 39.5587 176.3888 17 D 4.0699 8.2991 116.5349 55.1600 39.0399 173.7844 18 T 4.6832 7.8542 111.3197 60.7534 71.7090 173.1266 19 F 5.1932 9.2559 122.7684 56.9619 42.8379 173.2712 20 T 5.3957 8.8596 122.5948 62.1040 71.3045 173.8882 21 V 4.7776 9.1151 117.6339 59.4489 36.5194 174.2532 22 K 4.6124 8.1225 125.2151 54.6133 34.1362 175.0642 23 V 4.6400 8.8121 127.2136 61.5614 34.8552 174.8918 24 D 4.3318 9.8894 127.0821 55.3880 39.4786 174.2820 25 G 4.0002 9.8454 106.1157 45.0965 0.0000 173.7954 26 K 4.5947 7.9453 118.7781 54.4379 36.1109 174.8352 27 E 4.9164 8.1435 121.4028 55.1630 31.9944 174.6697 28 Y 5.3999 8.9786 120.2507 56.1161 42.8744 174.1823 29 W 5.8016 9.0086 118.0842 55.2000 32.1911 173.9877 30 T 4.5973 9.3883 115.4327 60.3898 70.1783 174.3611 31 S 4.8029 8.8130 120.3213 58.3473 64.1469 174.2233 32 R 4.1569 7.8574 122.4628 55.5334 29.8750 177.2844 33 W 4.5008 8.8371 124.4352 59.9535 29.1776 177.8827 34 N 4.5314 8.2817 114.9383 55.1502 38.1301 176.6123 35 L 4.3634 8.0843 120.5110 56.5532 41.6992 179.0395 36 Q 2.7948 8.0311 119.4590 58.1147 28.5703 176.8674 37 P 4.1722 0.0000 0.0000 65.6986 31.4339 178.3289 38 L 3.7571 7.4670 117.4454 57.5996 41.4309 179.4841 39 L 4.3935 8.5122 119.2942 57.7716 41.6453 179.2275 40 Q 4.1496 8.4119 119.8033 59.1680 28.9836 178.1882 41 S 4.0639 8.4353 114.2662 61.4247 62.4208 175.9680 42 A 4.1009 8.1087 123.3837 55.2851 18.2159 179.4130 43 Q 3.9808 8.5500 118.4199 59.4459 28.9630 178.5094 44 L 4.2141 8.3706 119.6739 57.2480 41.7819 178.5184 45 T 4.4406 8.3197 107.4931 61.0904 69.2339 175.2265 46 G 3.8918 7.6384 108.2523 46.5395 0.0000 173.8542 47 M 4.4752 7.9864 118.4855 55.3493 32.9016 176.2380 48 T 4.4898 8.9943 119.4617 63.0663 70.3003 174.2805 49 V 4.7117 8.7781 119.5222 59.7562 35.1944 175.0241 50 T 4.7535 8.3500 120.9527 61.7111 70.8704 173.4541 51 I 3.8186 8.5097 129.1121 60.6568 38.1462 175.6288 52 K 4.9312 8.1835 125.8878 54.8628 35.3935 175.5638 53 S 4.4602 8.3664 115.1790 57.7546 65.3294 175.8700 54 S 4.2733 9.0862 121.6245 60.9237 62.8946 175.0239 55 T 4.7448 7.6177 107.7654 60.0994 71.1075 173.9826 56 C 5.0463 8.5414 119.5209 56.4336 36.4822 173.7861 57 E 4.0293 8.4039 120.2245 56.4750 29.5304 176.1940 58 S 4.0490 8.4865 120.0801 59.7224 62.7695 174.0618 59 G 3.9097 8.7828 116.2733 45.7850 0.0000 172.9353 60 S 4.7627 7.8947 114.4216 56.9792 64.3049 173.6510 61 G 3.2584 8.0480 110.6287 46.1721 0.0000 172.6170 62 F 4.9779 7.3804 113.8706 55.3897 41.0283 174.4890 63 A 4.4186 8.2995 119.0697 52.2812 20.4341 175.3047 64 E 4.8691 8.3021 119.6219 55.5850 32.9683 174.8258 65 V 4.6565 8.3082 125.1790 60.6169 34.3456 173.1144 66 Q 4.4526 8.7364 126.1987 54.6665 31.1369 173.9623 67 F 5.2405 8.6851 123.1814 55.7676 41.8508 174.3151 68 N 5.1036 9.2539 120.8065 51.3496 41.6278 175.7161 69 N 4.4884 9.1802 120.2863 55.6463 39.1265 174.8810 70 D 4.4899 7.8673 121.4687 54.3886 41.8027 175.2897 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 8.12 4.25 1.27 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 2 D 8.53 4.54 0.00 2.58 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 3 C 9.24 4.45 0.00 2.30 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.17 4.57 1.08 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 0.00 0.00 0.00 0.00 0.00 5 K 9.06 4.80 0.00 1.56 1.57 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.34 7.81 6 G 7.72 3.87 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 0.00 0.00 0.00 7 K 8.00 4.64 0.00 1.77 1.77 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 8 I 8.09 4.16 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.98 0.00 0.00 9 E 9.24 4.38 0.00 1.78 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 0.00 2.35 2.23 0.00 10 F 7.40 5.11 0.00 3.05 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 S 8.78 5.24 0.00 3.73 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 12 K 8.07 4.46 0.00 1.89 1.69 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.38 7.81 13 Y 8.76 4.72 0.00 3.34 2.89 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 14 N 8.27 5.10 0.00 2.86 2.60 0.00 0.00 6.71 7.70 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 15 E 8.71 4.04 0.00 1.95 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 0.00 2.36 2.34 0.00 16 D 7.95 4.67 0.00 2.72 2.67 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 17 D 8.30 4.07 0.00 3.15 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 18 T 7.85 4.68 4.63 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 1.28 0.00 0.00 19 F 9.26 5.19 0.00 3.09 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 20 T 8.86 5.40 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 21 V 9.12 4.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.06 0.00 0.00 22 K 8.12 4.61 0.00 0.79 0.81 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.21 7.81 23 V 8.81 4.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.84 0.00 0.00 24 D 9.89 4.33 0.00 2.89 2.67 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 25 G 9.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.59 0.00 1.57 1.17 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.33 7.81 27 E 8.14 4.92 0.00 1.82 1.81 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 2.14 2.24 0.00 28 Y 8.98 5.40 0.00 2.69 2.84 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 29 W 9.01 5.80 0.00 3.49 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 30 T 9.39 4.60 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 31 S 8.81 4.80 0.00 4.13 4.29 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.16 0.00 1.87 1.92 0.00 3.24 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 33 W 8.84 4.50 0.00 3.38 3.18 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 0.00 0.00 0.00 34 N 8.28 4.53 0.00 2.86 2.89 0.00 0.00 7.17 6.74 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 35 L 8.08 4.36 0.00 1.95 1.83 0.91 1.18 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 36 Q 8.03 2.79 0.00 1.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.66 2.27 0.00 37 P 0.00 4.17 0.00 2.20 2.25 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 38 L 7.47 3.76 0.00 1.92 1.30 0.99 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.51 4.39 0.00 2.00 2.10 1.47 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.41 4.15 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 41 S 8.44 4.06 0.00 3.90 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 42 A 8.11 4.10 1.67 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 43 Q 8.55 3.98 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 44 L 8.37 4.21 0.00 1.77 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.32 4.44 4.26 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 1.26 0.00 0.00 46 G 7.64 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 0.00 0.00 0.00 47 M 7.99 4.48 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 48 T 8.99 4.49 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 49 V 8.78 4.71 1.74 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 0.77 0.00 0.00 0.85 0.00 0.00 50 T 8.35 4.75 4.08 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 0.00 0.00 1.16 0.00 0.00 51 I 8.51 3.82 1.02 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.13 -0.26 0.00 0.00 52 K 8.18 4.93 0.00 1.49 1.57 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.37 7.81 53 S 8.37 4.46 0.00 3.78 3.70 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 54 S 9.09 4.27 0.00 3.88 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 55 T 7.62 4.74 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 1.21 0.00 0.00 56 C 8.54 5.05 0.00 2.95 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 57 E 8.40 4.03 0.00 2.08 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 2.45 2.44 0.00 58 S 8.49 4.05 0.00 3.79 3.72 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 59 G 8.78 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 60 S 7.89 4.76 0.00 4.09 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 61 G 8.05 3.26 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 0.00 62 F 7.38 4.98 0.00 3.00 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 63 A 8.30 4.42 1.14 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 0.00 0.00 0.00 64 E 8.30 4.87 0.00 2.00 1.91 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 2.22 2.27 0.00 65 V 8.31 4.66 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 0.76 0.00 0.00 0.21 0.00 0.00 66 Q 8.74 4.45 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 67 F 8.69 5.24 0.00 2.97 2.94 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 68 N 9.25 5.10 0.00 2.77 2.81 0.00 0.00 6.62 6.59 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 69 N 9.18 4.49 0.00 2.73 2.90 0.00 0.00 6.80 8.06 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 70 D 7.87 4.49 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00