NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4015 8.0433 122.7554 54.9594 44.0288 175.2856 2 K 4.7761 8.3802 122.8366 54.6245 36.9402 174.5748 3 C 5.2665 10.0926 121.8507 55.0944 44.3997 172.6001 4 N 5.0881 9.3754 117.8301 53.3564 39.3509 175.7379 5 Q 4.5286 8.2667 119.8230 54.2570 32.0378 175.4923 6 L 3.9824 8.5134 121.5308 57.1470 40.6743 179.0950 7 I 3.8335 8.5785 124.2812 64.0497 38.3971 174.9559 8 P 4.1451 0.0000 0.0000 61.3045 32.3189 175.2053 9 P 4.6793 0.0000 0.0000 62.7385 29.2931 176.1856 10 F 4.2667 7.6694 117.7871 57.5697 40.1739 177.4957 11 W 3.5750 7.9713 116.0711 57.1503 28.5716 172.8901 12 K 4.4768 8.9973 117.7717 55.9586 34.9489 175.6630 13 T 4.5336 8.8506 125.0086 63.9446 69.3107 174.6696 14 C 4.8412 8.2685 122.5455 55.3171 40.3513 172.3286 15 P 4.5637 0.0000 0.0000 61.8764 31.9608 175.5362 16 K 4.0255 8.3336 120.9222 57.7599 32.5896 176.9191 17 G 3.9089 9.8158 113.0808 45.9161 0.0000 174.2928 18 K 4.6704 7.6519 116.8787 55.5254 32.4095 175.9901 19 N 5.0494 7.8306 111.6674 53.0173 40.1525 175.1173 20 L 4.8464 7.7217 117.2738 53.7161 45.2492 175.5528 21 C 5.5739 8.8448 117.8172 55.4270 41.3559 173.2121 22 Y 5.4847 8.6129 121.6220 55.0666 41.3008 174.7295 23 K 4.7399 8.6799 118.8949 55.5009 36.0877 174.6599 24 M 4.4176 9.4044 126.1999 54.5823 33.7077 174.9943 25 T 5.0299 8.7811 115.9446 60.1130 72.7871 172.5395 26 M 4.5966 8.2841 120.4859 54.1776 33.2355 176.9223 27 R 4.0768 8.8591 122.7694 59.4676 30.2198 177.9735 28 A 4.0822 8.1679 120.1878 54.9391 19.1418 177.6739 29 A 4.6159 7.2236 114.9879 51.4256 20.8343 175.7551 30 P 4.5924 0.0000 0.0000 61.9326 30.3183 176.6771 31 M 4.1375 7.7706 120.2586 57.2961 33.6460 175.7607 32 V 4.1641 7.4320 118.1106 60.0251 32.7455 173.4836 33 P 4.5713 0.0000 0.0000 62.8233 29.8857 176.1188 34 V 3.8869 8.4495 125.6498 63.0362 32.3161 176.8035 35 K 4.7534 7.6585 120.2962 54.7957 35.3414 174.7295 36 R 4.3489 7.6286 121.1402 54.1353 34.4941 175.7658 37 G 3.9149 5.7462 107.0253 46.4049 0.0000 170.4298 38 C 5.7383 8.5372 115.9344 54.6110 37.8460 172.8815 39 I 4.8292 7.8729 121.2132 59.2653 41.1495 175.8194 40 D 4.3046 8.8252 123.8103 55.7590 39.5997 176.7164 41 V 4.4081 7.1689 117.1036 58.1497 34.4372 175.1456 42 C 3.8523 8.8474 120.0500 56.2804 43.3661 171.8867 43 P 4.0865 0.0000 0.0000 62.4305 31.4027 176.0108 44 K 4.4110 7.9181 121.1034 54.9059 33.5319 176.8719 45 S 4.5149 8.5439 118.2271 58.8450 63.4374 173.8620 46 S 4.8913 8.6494 118.0434 56.4885 65.8329 173.4007 47 L 4.1193 8.6591 121.0309 58.1763 42.1749 177.9949 48 L 4.3946 7.9036 118.0861 57.0082 42.3804 176.5811 49 I 4.8659 7.9819 119.5970 58.9755 40.5341 174.9067 50 K 4.9253 8.8890 126.6121 54.8629 35.5920 174.2302 51 Y 5.2066 8.6417 121.2085 56.3511 41.8033 174.4967 52 M 4.8602 8.6988 119.8295 54.2983 35.2122 173.7797 53 C 5.2379 8.8132 123.1429 56.2202 41.2189 171.2560 54 C 4.8390 8.3321 113.4303 55.6365 45.3050 173.1247 55 N 5.4620 8.6456 116.4348 52.0487 37.3489 173.6108 56 T 4.5661 7.8805 114.8765 60.4603 71.7961 173.7328 57 N 4.3931 8.6861 122.1761 54.6614 39.5864 175.2460 58 K 3.9313 8.7854 127.6456 57.9276 30.2613 175.2807 59 C 4.3884 8.2972 120.2260 59.1704 44.4292 172.5963 60 N 4.5773 8.4546 120.3694 52.8098 36.9695 174.1965 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 L 8.04 4.40 0.00 1.80 1.62 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.38 4.78 0.00 1.72 1.70 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.47 7.81 3 C 10.09 5.27 0.00 2.84 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 4 N 9.38 5.09 0.00 2.61 2.76 0.00 0.00 7.02 7.60 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 5 Q 8.27 4.53 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.15 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 6 L 8.51 3.98 0.00 1.57 1.42 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.58 3.83 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.79 0.00 0.00 8 P 0.00 4.15 0.00 0.49 1.04 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.21 0.00 9 P 0.00 4.68 0.00 2.33 2.20 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 10 F 7.67 4.27 0.00 2.87 2.58 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 11 W 7.97 3.58 0.00 3.83 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.48 0.00 1.82 1.71 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 13 T 8.85 4.53 4.37 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 1.31 0.00 0.00 14 C 8.27 4.84 0.00 2.98 3.22 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 15 P 0.00 4.56 0.00 2.24 2.20 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 16 K 8.33 4.03 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.51 7.81 17 G 9.82 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 18 K 7.65 4.67 0.00 1.72 1.80 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.46 7.81 19 N 7.83 5.05 0.00 2.73 2.79 0.00 0.00 7.17 7.93 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 20 L 7.72 4.85 0.00 1.84 1.64 0.91 0.84 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 21 C 8.84 5.57 0.00 2.88 3.05 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 22 Y 8.61 5.48 0.00 3.24 3.10 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 0.00 0.00 0.00 0.00 23 K 8.68 4.74 0.00 1.72 1.83 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.42 7.81 24 M 9.40 4.42 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.67 0.00 25 T 8.78 5.03 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 1.26 0.00 0.00 26 M 8.28 4.60 0.00 1.87 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 27 R 8.86 4.08 0.00 1.76 2.05 0.00 3.52 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 28 A 8.17 4.08 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 29 A 7.22 4.62 1.20 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 0.00 0.00 30 P 0.00 4.59 0.00 2.18 2.19 0.00 3.74 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 1.98 1.96 0.00 31 M 7.77 4.14 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 32 V 7.43 4.16 2.06 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 0.84 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.57 0.00 2.19 2.08 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 34 V 8.45 3.89 2.06 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 0.81 0.00 0.00 0.93 0.00 0.00 35 K 7.66 4.75 0.00 1.89 1.92 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.63 7.81 36 R 7.63 4.35 0.00 1.70 1.61 0.00 3.34 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 37 G 5.75 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 38 C 8.54 5.74 0.00 3.02 3.33 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 39 I 7.87 4.83 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 1.02 0.00 0.00 40 D 8.83 4.30 0.00 2.82 2.77 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 0.00 0.00 0.00 41 V 7.17 4.41 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 0.65 0.00 0.00 0.89 0.00 0.00 42 C 8.85 3.85 0.00 2.92 3.05 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 43 P 0.00 4.09 0.00 0.49 1.23 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 1.37 1.27 0.00 44 K 7.92 4.41 0.00 1.70 1.75 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 45 S 8.54 4.51 0.00 3.91 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 46 S 8.65 4.89 0.00 3.92 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 47 L 8.66 4.12 0.00 1.64 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.90 4.39 0.00 1.75 1.89 0.92 0.58 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 49 I 7.98 4.87 1.85 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 1.02 0.68 0.61 0.00 0.00 50 K 8.89 4.93 0.00 1.73 1.55 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.41 7.81 51 Y 8.64 5.21 0.00 2.89 2.92 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 52 M 8.70 4.86 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 53 C 8.81 5.24 0.00 2.93 3.03 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 0.00 0.00 0.00 54 C 8.33 4.84 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 5.46 0.00 2.71 2.84 0.00 0.00 5.77 7.72 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 56 T 7.88 4.57 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 57 N 8.69 4.39 0.00 2.65 2.75 0.00 0.00 7.08 6.58 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 58 K 8.79 3.93 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.43 1.30 7.81 59 C 8.30 4.39 0.00 3.12 3.11 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 60 N 8.45 4.58 0.00 2.79 2.74 0.00 0.00 6.98 8.27 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