NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.6442 8.1744 111.0790 61.7875 70.5595 172.3392 3 V 4.4308 8.5976 121.3560 61.0529 34.8721 172.7725 4 S 5.1735 9.1459 121.8160 56.7474 68.2433 173.0190 5 I 4.0846 8.6750 122.8173 61.1115 38.2284 176.6750 6 Q 4.6800 8.3480 120.0249 55.5610 29.4538 174.4843 7 M 4.6272 7.5336 113.2724 54.3088 33.7700 173.9218 8 A 4.2486 8.3920 123.1114 51.2719 20.1326 178.7011 9 G 3.9978 6.9943 107.7831 46.1778 0.0000 170.9306 10 N 5.3029 8.0105 117.5635 51.1736 42.6551 174.8071 11 L 4.4313 9.2110 127.0643 54.7725 39.9484 177.1754 12 W 4.4681 7.9355 132.6453 57.7805 31.7565 175.5566 13 K 4.7330 8.5311 117.5135 54.9937 36.7122 174.7987 14 V 4.5467 8.1696 120.1850 61.7859 34.1617 174.5701 15 H 5.0005 8.8354 121.2509 55.9040 31.2298 174.8177 16 V 4.1625 7.8578 110.9612 60.9502 32.4704 174.8889 17 K 4.5973 8.0622 118.3937 54.8742 35.3992 175.4091 18 A 4.3159 8.3969 122.8651 54.0970 18.5523 178.4448 19 G 3.9367 9.1075 111.0844 45.1989 0.0000 173.3379 20 D 4.6173 7.8966 119.7419 54.2239 42.7851 174.2673 21 Q 5.1821 8.5203 122.9832 54.2611 31.0659 174.4105 22 I 4.9916 8.7069 118.5440 58.0693 41.6152 173.9509 23 E 4.8493 8.3827 122.0388 53.6601 32.7366 174.5278 24 K 4.0470 8.4173 126.0427 58.6263 32.3308 177.0702 25 G 3.9729 8.9239 115.3488 44.9576 0.0000 173.2565 26 Q 4.1417 8.1826 122.3947 55.8482 30.1668 175.2093 27 E 4.3611 8.7606 126.7177 56.7711 30.1675 176.2533 28 V 4.4359 9.1624 122.9911 64.1878 35.3942 174.3695 29 A 4.8185 7.6134 119.4860 51.1562 22.8170 174.7344 30 I 5.0923 8.9505 117.9901 59.7177 41.7173 174.7835 31 L 4.9334 9.0073 127.6441 53.2443 45.1416 174.4059 32 E 4.9031 9.0496 127.5221 54.9543 31.5153 174.5399 33 S 4.6333 9.1627 119.7447 58.0152 66.9703 174.6645 34 M 3.3387 9.2827 118.7533 56.2637 29.2383 177.0020 35 K 3.8645 8.3338 113.3220 57.4060 30.1563 174.5207 36 M 4.8126 8.0821 116.0987 54.0241 36.4395 173.6115 37 E 5.0732 8.2575 118.1639 54.7397 32.6831 176.1259 38 I 4.6681 8.5320 123.5242 58.7049 41.1132 173.3438 39 P 4.7517 0.0000 0.0000 62.8906 32.4065 175.6281 40 I 4.6574 8.9129 122.1539 59.7346 40.4037 175.0773 41 V 4.9993 8.2944 118.2181 58.8214 35.7884 175.1803 42 A 4.0590 8.7211 124.7413 52.3719 18.4010 178.6288 43 D 4.3232 8.9559 123.0314 56.6055 41.8038 175.9647 44 R 4.6681 7.3462 112.7274 54.6515 32.0485 174.7748 45 S 4.4168 8.5973 115.2989 58.1536 63.5621 173.8989 46 G 4.0625 7.7428 109.8726 46.5255 0.0000 171.1272 47 I 4.6178 7.5619 120.8002 60.0873 38.9323 176.1203 48 V 3.8961 8.7686 127.2405 63.1190 31.4461 176.3997 49 K 4.0872 8.8788 131.2857 59.3318 32.6975 176.3316 50 E 4.7625 7.8912 118.1478 55.0990 33.3686 173.6425 51 V 4.7020 8.2756 122.5133 61.1629 33.7682 175.2036 52 K 4.5445 9.2077 126.1294 56.4154 32.9758 175.7003 53 K 4.6969 7.7396 118.5388 54.7738 36.4705 174.4157 54 K 4.6569 8.0381 117.3528 54.9890 35.6127 175.2260 55 E 4.1352 8.5996 118.7207 58.1514 29.5059 178.2516 56 G 3.9282 9.0259 111.4813 45.5378 0.0000 173.3024 57 D 4.6376 7.6334 119.6560 53.6907 42.5547 175.2923 58 F 4.6608 8.7918 125.8678 58.7367 40.3316 174.4891 59 V 4.6242 7.5110 116.6510 59.4322 36.6322 173.4502 60 N 4.9226 8.1844 119.0887 51.4336 42.1996 172.9286 61 E 3.9559 8.5222 121.8674 58.4356 29.4266 176.8345 62 G 3.9201 9.0427 115.9177 45.0838 0.0000 172.1617 63 D 4.4593 8.1806 121.0342 53.2611 41.7387 175.8909 64 V 3.8468 8.2792 125.8406 62.6936 32.5629 174.3550 65 L 4.6891 9.1518 127.9092 56.2854 44.2516 175.6755 66 L 4.9639 7.4971 116.3660 54.7354 44.3179 173.4197 67 E 4.9794 9.3717 119.5325 54.4191 33.1506 174.1815 68 L 5.5002 8.5652 124.3850 52.2021 45.3534 176.3961 69 S 4.3751 8.5105 115.3202 58.8403 63.4600 174.2419 70 N 4.5820 9.1671 120.3342 53.2761 39.3843 176.3361 71 S 4.2367 8.5971 119.2242 61.4354 63.1343 176.1612 72 T 4.0131 7.8307 109.6895 64.2862 68.9241 174.2899 73 Q 4.1471 8.0437 125.2414 56.0606 28.6428 175.6889 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 2 T 8.17 4.64 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 1.33 0.00 0.00 3 V 8.60 4.43 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 0.78 0.00 0.00 0.93 0.00 0.00 4 S 9.15 5.17 0.00 3.74 3.79 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 0.00 0.00 0.00 0.00 5 I 8.68 4.08 1.98 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 1.37 0.94 0.93 0.00 0.00 6 Q 8.35 4.68 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 7 M 7.53 4.63 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 8 A 8.39 4.25 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 9 G 6.99 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 10 N 8.01 5.30 0.00 2.71 2.74 0.00 0.00 7.15 6.62 0.00 0.00 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 L 9.21 4.43 0.00 1.73 1.72 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 W 7.94 4.47 0.00 3.27 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.73 0.00 1.92 1.67 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.60 7.81 14 V 8.17 4.55 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 0.78 0.00 0.00 0.91 0.00 0.00 15 H 8.84 5.00 0.00 3.06 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.86 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 17 K 8.06 4.60 0.00 1.87 1.85 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 18 A 8.40 4.32 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 19 G 9.11 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 20 D 7.90 4.62 0.00 2.91 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 21 Q 8.52 5.18 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 22 I 8.71 4.99 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 0.92 0.00 0.00 23 E 8.38 4.85 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 24 K 8.42 4.05 0.00 1.76 1.74 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 25 G 8.92 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 0.00 0.00 0.00 26 Q 8.18 4.14 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.25 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 27 E 8.76 4.36 0.00 2.04 1.86 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 2.41 2.37 0.00 28 V 9.16 4.44 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 0.90 0.00 0.00 1.04 0.00 0.00 29 A 7.61 4.82 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 30 I 8.95 5.09 2.29 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.07 0.78 0.00 0.00 31 L 9.01 4.93 0.00 1.62 1.59 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.05 4.90 0.00 2.15 2.01 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 2.25 2.31 0.00 33 S 9.16 4.63 0.00 3.89 3.59 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 34 M 9.28 3.34 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 35 K 8.33 3.86 0.00 1.85 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.44 7.81 36 M 8.08 4.81 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 37 E 8.26 5.07 0.00 1.33 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 1.47 1.72 0.00 38 I 8.53 4.67 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.87 0.00 0.00 39 P 0.00 4.75 0.00 2.07 2.04 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 40 I 8.91 4.66 1.96 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 1.23 1.10 0.91 0.00 0.00 41 V 8.29 5.00 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 0.83 0.00 0.00 0.93 0.00 0.00 42 A 8.72 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.32 0.00 2.63 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 44 R 7.35 4.67 0.00 1.91 1.83 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 45 S 8.60 4.42 0.00 3.88 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 46 G 7.74 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 0.00 0.00 0.00 47 I 7.56 4.62 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 1.11 0.98 0.96 0.00 0.00 48 V 8.77 3.90 2.25 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 1.03 0.00 0.00 0.99 0.00 0.00 49 K 8.88 4.09 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.43 7.81 50 E 7.89 4.76 0.00 2.05 1.71 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 2.28 2.30 0.00 51 V 8.28 4.70 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 0.92 0.00 0.00 0.93 0.00 0.00 52 K 9.21 4.54 0.00 1.72 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.54 7.81 53 K 7.74 4.70 0.00 1.67 1.68 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.36 7.81 54 K 8.04 4.66 0.00 1.86 1.86 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 55 E 8.60 4.14 0.00 1.89 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 2.23 2.41 0.00 56 G 9.03 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 0.00 0.00 0.00 57 D 7.63 4.64 0.00 2.84 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 58 F 8.79 4.66 0.00 3.07 2.95 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 59 V 7.51 4.62 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 0.75 0.00 0.00 0.82 0.00 0.00 60 N 8.18 4.92 0.00 2.61 2.59 0.00 0.00 6.12 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 61 E 8.52 3.96 0.00 1.94 1.87 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 2.28 2.43 0.00 62 G 9.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.46 0.00 2.73 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 64 V 8.28 3.85 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 0.96 0.00 0.00 0.94 0.00 0.00 65 L 9.15 4.69 0.00 1.73 1.77 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.50 4.96 0.00 1.96 1.71 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.37 4.98 0.00 2.04 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 2.19 2.30 0.00 68 L 8.57 5.50 0.00 1.52 1.53 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.51 4.38 0.00 3.94 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 70 N 9.17 4.58 0.00 2.83 2.72 0.00 0.00 7.25 7.24 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 71 S 8.60 4.24 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.83 4.01 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 73 Q 8.04 4.15 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00