NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4027 8.3049 120.3481 55.1503 33.7691 176.0832 2 L 3.9515 7.6411 119.1243 54.0104 43.4160 173.9624 3 S 3.8532 8.5176 107.3253 61.1779 59.9461 170.5897 4 V 3.3502 7.1911 123.5350 65.8131 32.9973 177.0362 5 A 4.1042 8.3353 121.0594 55.3316 18.0310 179.1135 6 A 4.1480 7.3471 116.2018 53.9995 18.6632 178.9558 7 R 3.9247 7.7852 115.2851 55.4907 30.2920 172.1890 8 S 3.7230 8.1382 120.0714 58.6938 63.3576 169.2411 9 G 4.2702 8.2519 118.3473 45.6502 0.0000 172.1979 10 P 4.3530 0.0000 0.0000 61.4797 32.3453 176.4120 11 F 4.4387 8.4752 118.7486 57.4618 40.5519 176.1422 12 A 4.5755 8.7005 122.3962 50.5435 20.6509 173.6177 13 P 4.9816 0.0000 0.0000 62.9465 32.9196 176.0678 14 V 4.5063 8.7219 121.7680 61.1050 34.8442 174.1691 15 L 5.1103 8.4908 127.8989 53.7373 45.1270 174.4884 16 S 4.5355 8.3341 115.0429 57.4702 65.5795 173.4788 17 A 4.4508 8.6234 124.9436 53.6865 19.7269 178.0685 18 T 4.3840 7.7693 103.1755 63.2554 70.6446 175.2477 19 S 4.5154 7.6873 116.8764 57.5058 64.6999 173.0854 20 R 4.6749 8.1839 119.0789 54.4852 33.0318 175.5764 21 G 3.7064 8.6535 107.7367 46.9262 0.0000 173.0058 22 V 4.6959 8.7558 125.5453 61.1231 34.9572 174.6645 23 A 4.7249 8.3505 126.2130 50.7596 21.2270 177.0573 24 G 4.3315 8.4841 106.9341 45.9706 0.0000 172.6162 25 A 4.7537 6.6938 128.6944 52.0607 22.3187 177.2357 26 L 4.5871 7.9101 114.4106 53.5135 44.6735 175.9917 27 R 4.5845 7.5877 117.2540 55.5959 30.6672 171.6184 28 P 4.5693 0.0000 0.0000 61.3683 32.4320 177.2886 29 L 5.5602 8.4815 130.4819 57.0978 40.5854 175.3934 30 V 3.5916 7.4000 118.2736 65.8330 31.3343 176.6686 31 Q 4.3851 7.8508 116.5477 56.0774 29.4120 175.7753 32 A 4.6244 8.3870 119.7248 51.5295 20.7192 178.6886 33 A 4.2019 7.6719 117.5310 54.0002 18.4468 178.4733 34 V 3.7000 7.0940 115.7204 64.6265 32.2002 173.9963 35 P 4.2050 0.0000 0.0000 62.7460 31.0577 175.8440 36 A 4.9560 7.8450 126.8162 49.5995 21.3825 175.8190 37 T 3.6921 8.4711 113.0917 64.7160 66.1970 173.5263 38 S 4.6371 7.8470 118.9638 56.7981 63.0453 176.4018 39 E 4.4792 8.1663 134.7015 55.0387 28.8779 176.7210 40 S 5.4574 8.2385 114.1176 55.9850 63.3524 173.9042 41 P 4.5333 0.0000 0.0000 62.6334 32.2711 176.7318 42 V 4.0957 7.8660 117.6422 62.7487 32.0520 171.6227 43 L 3.5016 8.1658 127.8601 55.0448 37.7668 173.9597 44 D 4.7587 8.0494 119.7203 53.4344 42.8380 177.8292 45 L 3.8953 7.1415 121.6284 55.1289 39.7806 176.9473 46 K 4.7623 7.2692 128.4402 55.1001 33.6667 177.0221 47 R 4.2408 8.5344 123.9298 55.4388 34.5143 175.8525 48 S 5.1536 8.9032 110.5097 58.2195 64.7149 177.7678 49 V 4.0446 8.0945 123.6187 62.6961 32.9093 174.2905 50 L 4.1835 8.5545 123.7469 53.5737 39.7691 174.3438 51 C 3.9530 7.8487 119.1492 58.4914 31.8807 171.6823 52 R 4.7394 8.8814 119.7767 54.6727 33.2245 173.3008 53 E 4.5181 7.9652 121.0208 56.1545 30.5367 176.8951 54 S 4.9389 7.2904 113.0716 56.9137 67.0804 173.6854 55 L 4.4686 7.0039 125.3656 54.4576 48.4844 176.8315 56 R 4.8977 8.3194 131.4020 57.1604 29.5907 173.6940 57 G 3.7810 8.5513 105.5579 46.2374 0.0000 172.7636 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 M 8.30 4.40 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 7.64 3.95 0.00 1.75 1.64 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.52 3.85 0.00 4.01 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 4 V 7.19 3.35 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 0.83 0.00 0.00 0.93 0.00 0.00 5 A 8.34 4.10 1.32 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 0.00 0.00 0.00 6 A 7.35 4.15 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 7 R 7.79 3.92 0.00 1.80 2.06 0.00 3.38 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 8 S 8.14 3.72 0.00 4.02 3.81 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 9 G 8.25 4.27 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 10 P 0.00 4.35 0.00 2.06 2.00 0.00 3.61 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 2.03 2.09 0.00 11 F 8.48 4.44 0.00 2.98 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 12 A 8.70 4.58 1.25 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 0.00 0.00 0.00 13 P 0.00 4.98 0.00 1.96 1.98 0.00 3.67 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 2.02 2.06 0.00 14 V 8.72 4.51 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 0.95 0.00 0.00 0.95 0.00 0.00 15 L 8.49 5.11 0.00 1.66 1.50 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.33 4.54 0.00 3.82 3.81 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 17 A 8.62 4.45 1.28 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 0.00 0.00 0.00 0.00 0.00 18 T 7.77 4.38 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 1.23 0.00 0.00 19 S 7.69 4.52 0.00 3.89 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 20 R 8.18 4.67 0.00 1.76 1.80 0.00 3.22 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 1.51 1.58 0.00 21 G 8.65 3.71 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 0.00 0.00 0.00 22 V 8.76 4.70 2.11 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 0.99 0.00 0.00 1.01 0.00 0.00 23 A 8.35 4.72 1.11 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 0.00 0.00 24 G 8.48 4.33 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 0.00 25 A 6.69 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.91 4.59 0.00 1.75 1.45 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.59 4.58 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 28 P 0.00 4.57 0.00 2.07 2.04 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 29 L 8.48 5.56 0.00 1.84 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.40 3.59 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 0.94 0.00 0.00 0.93 0.00 0.00 31 Q 7.85 4.39 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 32 A 8.39 4.62 1.32 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 0.00 0.00 0.00 33 A 7.67 4.20 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 34 V 7.09 3.70 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 0.83 0.00 0.00 0.97 0.00 0.00 35 P 0.00 4.20 0.00 2.08 2.02 0.00 3.73 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 2.02 2.08 0.00 36 A 7.84 4.96 1.32 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 0.00 0.00 0.00 37 T 8.47 3.69 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 38 S 7.85 4.64 0.00 3.85 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 39 E 8.17 4.48 0.00 1.93 1.60 0.00 0.00 0.00 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 2.30 0.00 40 S 8.24 5.46 0.00 4.13 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 41 P 0.00 4.53 0.00 2.18 2.32 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 42 V 7.87 4.10 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 43 L 8.17 3.50 0.00 1.85 1.73 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.05 4.76 0.00 2.66 2.59 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 45 L 7.14 3.90 0.00 1.65 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.27 4.76 0.00 1.97 0.74 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.39 7.81 47 R 8.53 4.24 0.00 1.74 1.41 0.00 3.58 0.00 0.00 3.28 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 48 S 8.90 5.15 0.00 4.07 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 49 V 8.09 4.04 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 0.85 0.00 0.00 0.94 0.00 0.00 50 L 8.55 4.18 0.00 1.85 1.93 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.85 3.95 0.00 3.10 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 52 R 8.88 4.74 0.00 1.78 1.77 0.00 3.26 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 1.52 1.61 0.00 53 E 7.97 4.52 0.00 2.05 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 0.00 2.11 2.04 0.00 54 S 7.29 4.94 0.00 3.92 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 55 L 7.00 4.47 0.00 1.59 0.89 0.92 0.86 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 56 R 8.32 4.90 0.00 1.88 1.05 0.00 3.28 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 57 G 8.55 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00