NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2865 8.2544 120.8579 56.7932 31.3168 173.4632 2 R 4.5728 8.3695 123.1646 56.8544 37.7277 173.1295 3 R 4.8752 8.4591 116.1705 54.7608 33.7877 175.0114 4 H 4.7647 8.4144 114.2762 53.9929 28.7786 172.2229 5 I 4.3162 7.5861 114.2670 58.9801 40.1911 175.3022 6 V 3.6685 8.5593 124.5878 62.2519 31.2652 175.2267 7 R 4.4516 8.4383 121.1894 57.1005 31.5172 178.0470 8 K 3.9008 8.1742 116.7927 59.5697 32.2861 179.1067 9 R 4.1260 7.8729 116.8956 58.4277 30.1664 178.9397 10 T 3.9069 7.6956 113.4557 65.0942 67.5073 175.8521 11 L 4.2056 7.9773 121.6522 59.1060 39.9073 179.4935 12 R 3.7268 7.6819 117.8544 59.0660 29.9590 179.0146 13 R 4.0037 8.4440 116.4641 58.7636 29.3763 178.7825 14 L 3.9034 7.6494 119.8402 58.1818 42.4243 178.0484 15 L 4.1204 8.4344 118.0034 57.4567 41.7130 178.4187 16 Q 4.2398 7.6942 116.1564 57.3689 29.4645 176.2516 17 E 4.4640 8.0953 117.4325 56.2748 29.3295 178.1253 18 R 4.1975 7.8788 116.0582 57.7356 29.9058 176.5641 19 E 4.6506 7.9379 118.8718 55.4265 29.3683 175.6508 20 L 4.5604 7.1599 115.9363 53.3749 49.6461 176.1733 21 V 4.6482 7.0122 123.8286 59.7305 31.7585 174.8530 22 E 5.0724 8.3490 131.5747 56.8977 32.5250 176.6859 23 P 4.3788 0.0000 0.0000 65.0576 31.5536 177.1746 24 L 4.4134 7.8381 116.0391 56.2063 42.3790 176.2476 25 T 4.3343 7.5697 110.1695 59.2610 68.8510 173.1534 26 P 4.2269 0.0000 0.0000 65.0176 31.7889 177.5648 27 S 4.7340 7.8001 111.8642 59.8065 66.9239 174.7431 28 G 4.0739 7.7879 110.2192 45.5452 0.0000 173.9587 29 E 3.9457 9.7803 122.8578 58.1304 30.3861 175.2697 30 A 4.3724 7.2063 119.7820 49.9186 21.6395 175.0730 31 P 4.3741 0.0000 0.0000 65.9545 31.3611 178.2886 32 N 4.2882 8.3156 115.8337 56.6927 38.3185 176.7398 33 Q 4.1392 7.8838 116.9798 57.9322 28.9306 178.3471 34 A 4.0036 8.3593 122.5969 55.3163 18.3374 179.7602 35 L 4.0043 7.8529 116.9669 57.5610 41.7154 179.6449 36 L 4.2701 7.6908 118.9597 57.8994 41.6614 179.8120 37 R 4.1510 8.6737 116.4961 58.9551 29.4889 179.0225 38 I 3.6945 7.8516 120.7496 64.3214 36.9422 178.0634 39 L 4.0963 8.9977 122.1700 57.0967 41.6816 178.3342 40 K 4.2435 8.4572 117.8280 57.9836 33.3184 177.5951 41 E 4.6218 8.0036 117.1509 56.4467 30.5077 176.3266 42 T 4.6752 7.6819 113.8610 62.1001 70.7563 175.1291 43 E 3.9581 8.2565 121.7295 59.1503 29.3341 178.6010 44 F 4.2357 8.1434 117.9683 57.9181 39.5663 178.0459 45 K 3.9544 8.2318 118.3576 59.5782 31.9113 179.0601 46 K 4.0174 8.0199 118.4907 59.8578 32.4760 179.1438 47 I 3.5700 7.5966 114.2486 63.6115 37.4150 177.9501 48 K 3.5276 8.0014 120.4737 59.5563 32.1518 178.6433 49 V 3.7922 7.3527 118.2015 65.5600 31.6008 177.7617 50 L 4.3113 8.3525 118.4631 56.6173 41.5031 177.6999 51 G 4.1295 8.5167 108.0395 45.2451 0.0000 175.1004 52 S 4.2072 8.3705 117.4947 59.9601 63.2104 174.3427 53 G 3.7216 7.9179 113.2687 45.3411 0.0000 172.6774 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 R 8.25 4.29 0.00 1.77 1.88 0.00 3.20 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 2 R 8.37 4.57 0.00 1.84 1.85 0.00 3.41 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 3 R 8.46 4.88 0.00 1.82 1.88 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 4 H 8.41 4.76 0.00 3.05 3.24 0.00 5.93 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.59 4.32 1.88 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 1.48 0.29 0.93 0.00 0.00 6 V 8.56 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 7 R 8.44 4.45 0.00 1.96 2.16 0.00 2.97 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 8 K 8.17 3.90 0.00 1.74 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 R 7.87 4.13 0.00 1.90 1.97 0.00 3.17 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 10 T 7.70 3.91 4.34 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 1.27 0.00 0.00 11 L 7.98 4.21 0.00 1.96 1.94 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.68 3.73 0.00 2.06 2.02 0.00 3.12 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 13 R 8.44 4.00 0.00 2.02 2.18 0.00 2.77 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 14 L 7.65 3.90 0.00 1.72 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.43 4.12 0.00 1.63 1.72 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.69 4.24 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.25 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 17 E 8.10 4.46 0.00 2.28 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 0.00 2.29 2.28 0.00 18 R 7.88 4.20 0.00 1.92 2.05 0.00 2.98 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 19 E 7.94 4.65 0.00 1.91 1.92 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 2.18 2.23 0.00 20 L 7.16 4.56 0.00 1.62 1.47 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.01 4.65 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 0.81 0.00 0.00 0.99 0.00 0.00 22 E 8.35 5.07 0.00 2.10 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 2.06 2.17 0.00 23 P 0.00 4.38 0.00 2.03 2.12 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 24 L 7.84 4.41 0.00 1.72 1.76 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.57 4.33 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 1.23 0.00 0.00 26 P 0.00 4.23 0.00 2.06 2.13 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 27 S 7.80 4.73 0.00 3.81 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 28 G 7.79 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 29 E 9.78 3.95 0.00 1.94 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 2.29 2.25 0.00 30 A 7.21 4.37 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 31 P 0.00 4.37 0.00 2.27 2.32 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 32 N 8.32 4.29 0.00 2.78 2.95 0.00 0.00 7.17 7.30 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 33 Q 7.88 4.14 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 34 A 8.36 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.00 0.00 1.75 1.73 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.69 4.27 0.00 1.82 1.72 0.96 1.08 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 37 R 8.67 4.15 0.00 2.00 2.19 0.00 2.77 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 38 I 7.85 3.69 1.91 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 1.03 0.91 0.00 0.00 39 L 9.00 4.10 0.00 1.64 1.78 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.46 4.24 0.00 1.91 2.04 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.47 7.81 41 E 8.00 4.62 0.00 2.05 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 2.44 0.00 42 T 7.68 4.68 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 43 E 8.26 3.96 0.00 2.28 2.30 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 2.48 2.41 0.00 44 F 8.14 4.24 0.00 3.12 3.15 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 45 K 8.23 3.95 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.73 7.81 46 K 8.02 4.02 0.00 2.05 2.06 0.00 1.16 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 47 I 7.60 3.57 1.68 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.77 0.00 0.00 48 K 8.00 3.53 0.00 1.99 2.20 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.78 1.51 7.81 49 V 7.35 3.79 2.21 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 0.94 0.00 0.00 0.98 0.00 0.00 50 L 8.35 4.31 0.00 1.71 1.69 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.52 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 S 8.37 4.21 0.00 3.99 4.20 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 53 G 7.92 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 0.00 0.00 0.00