NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.0763 8.1727 121.7539 56.2080 33.3783 174.2455 9 S 4.7046 7.8728 117.7014 56.1429 66.2456 172.9538 10 F 5.2949 8.7161 121.7419 54.6525 39.9271 174.4032 11 P 4.4472 0.0000 0.0000 65.0265 32.1224 179.2892 12 E 3.9459 8.2068 119.0001 59.2287 29.8114 178.9872 13 V 3.3839 7.7807 118.1891 64.6077 31.9006 176.0395 14 V 3.9932 7.3466 120.1353 64.0602 31.6481 176.2155 15 G 3.9830 9.1496 116.2904 45.2196 0.0000 173.8568 16 K 4.3543 7.5721 119.1553 55.9375 33.0660 176.7174 17 T 4.6469 8.4322 111.8887 61.1999 70.9264 175.9132 18 V 3.5305 8.0751 121.7758 66.5865 31.4280 178.2591 19 D 4.1772 7.8586 117.7944 57.0520 40.7614 178.4820 20 Q 3.9988 8.1046 118.6812 58.8919 28.6714 178.8220 21 A 4.1143 8.4200 122.2208 54.9856 18.5108 179.3281 22 R 3.8845 8.0929 117.7349 59.7302 29.9296 178.1331 23 E 3.9033 8.2323 118.6754 59.4466 29.5645 178.0256 24 Y 3.8832 8.0893 119.3137 60.8975 38.8239 178.1877 25 F 4.1714 8.5159 118.6015 60.8445 38.7570 177.8481 26 T 3.9546 7.9214 114.5362 66.5881 68.3117 176.4922 27 L 4.0974 7.9892 120.0600 57.8392 41.8294 178.4789 28 H 4.5136 7.8658 113.8918 56.0247 30.7744 175.0401 29 Y 5.1332 8.2444 117.4020 54.9858 38.1336 174.6577 30 P 4.5065 0.0000 0.0000 64.5064 32.1768 177.7916 31 Q 4.1809 7.9641 116.8986 57.4277 29.4042 174.5295 32 Y 4.9513 7.6650 116.9726 56.7472 39.7056 175.6038 33 N 4.6023 9.4714 123.6969 52.9428 39.2332 173.2781 34 V 4.4468 7.7603 125.2900 59.8471 33.4915 174.8027 35 Y 4.6247 8.4690 122.1710 56.0420 41.1284 174.4927 36 F 4.9222 9.0472 122.4241 55.9698 40.5943 175.0560 37 L 5.0324 8.7156 123.5625 51.9363 46.2482 174.5151 38 P 3.9226 0.0000 0.0000 61.7563 32.5513 175.8523 39 E 4.0955 8.5038 125.1563 58.0566 29.9709 177.1716 40 G 3.9141 8.4704 113.7394 45.2980 0.0000 174.0952 41 S 4.2095 7.4364 115.7697 57.8819 63.3317 172.5379 42 P 4.4309 0.0000 0.0000 62.8512 31.7941 175.8185 43 V 4.5633 7.8771 113.2784 59.2900 35.8630 175.1541 44 T 4.0280 8.3344 111.1627 62.2076 69.1023 174.4962 45 L 4.7377 8.2398 123.4948 54.2960 42.3489 175.9165 46 D 4.7349 7.8403 117.1836 51.9858 41.5705 175.6239 47 L 4.7975 8.3003 119.0093 53.1955 43.1954 176.7045 48 R 4.6391 8.9248 124.3261 54.5879 31.6548 176.3946 49 Y 4.5697 8.9532 120.5431 59.1186 38.2526 176.0103 50 N 5.1528 8.2996 116.9642 52.5331 38.5582 173.6744 51 R 5.1250 7.9625 120.6711 54.9002 32.7157 174.9267 52 V 4.5172 8.5781 125.2771 61.1377 34.3660 174.1869 53 R 4.4922 8.5142 127.3917 54.9300 31.3850 175.9644 54 V 4.0333 8.4152 124.7529 61.0063 32.6497 174.1124 55 F 5.8912 8.9313 126.7570 55.6592 41.0759 174.5257 56 Y 5.2296 8.1598 119.5502 55.3714 42.4607 173.8655 57 N 5.0799 9.3648 120.1729 51.4767 39.4400 172.6358 58 P 4.9068 0.0000 0.0000 64.0129 32.2150 175.3872 59 G 4.3510 9.2906 110.2446 45.9345 0.0000 174.7032 60 T 4.1334 7.8213 107.7475 61.7482 69.7764 174.1543 61 N 4.2494 8.2984 119.1010 54.4395 36.9297 173.6217 62 V 4.6671 7.5546 115.1741 60.7976 34.4711 174.7419 63 V 4.2405 8.5621 126.2977 62.8962 30.2673 175.4616 64 N 4.9742 8.3350 123.7716 52.4392 37.5170 174.4306 65 H 4.8529 7.8340 114.3445 54.0670 32.4860 173.0281 66 V 3.9906 8.3988 123.7908 62.0622 32.0138 173.7734 67 P 4.6124 0.0000 0.0000 63.1068 32.6561 174.9555 68 H 5.4932 8.5718 118.5469 53.5968 32.5156 173.5532 69 V 3.7441 8.4442 121.1847 62.6804 32.3544 176.4431 70 G 3.4644 9.1586 116.0376 45.3290 0.0000 172.9064 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 8 K 8.17 4.08 0.00 1.68 1.51 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.48 1.12 7.81 9 S 7.87 4.70 0.00 3.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 5.29 0.00 3.12 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 11 P 0.00 4.45 0.00 2.22 2.31 0.00 3.75 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 2.07 1.97 0.00 12 E 8.21 3.95 0.00 1.82 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 2.51 2.41 0.00 13 V 7.78 3.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.43 0.00 0.00 14 V 7.35 3.99 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 0.87 0.00 0.00 0.98 0.00 0.00 15 G 9.15 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.57 4.35 0.00 1.93 1.72 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.56 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.38 1.34 7.81 17 T 8.43 4.65 4.21 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 1.24 0.00 0.00 18 V 8.08 3.53 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 0.49 0.00 0.00 0.52 0.00 0.00 19 D 7.86 4.18 0.00 2.68 2.62 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 0.00 0.00 0.00 0.00 20 Q 8.10 4.00 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 21 A 8.42 4.11 1.69 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 0.00 0.00 0.00 22 R 8.09 3.88 0.00 1.60 2.05 0.00 2.92 0.00 0.00 2.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 23 E 8.23 3.90 0.00 2.08 2.14 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 2.32 2.33 0.00 24 Y 8.09 3.88 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 4.17 0.00 3.32 3.09 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 0.00 0.00 0.00 0.00 26 T 7.92 3.95 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 L 7.99 4.10 0.00 1.40 1.72 0.93 1.36 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 28 H 7.87 4.51 0.00 2.15 2.59 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.24 5.13 0.00 3.40 3.28 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 30 P 0.00 4.51 0.00 2.15 2.18 0.00 3.44 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 31 Q 7.96 4.18 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.96 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 32 Y 7.67 4.95 0.00 2.91 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 33 N 9.47 4.60 0.00 2.83 2.80 0.00 0.00 6.68 7.28 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 34 V 7.76 4.45 1.63 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 0.69 0.00 0.00 -0.16 0.00 0.00 35 Y 8.47 4.62 0.00 2.73 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 36 F 9.05 4.92 0.00 2.95 3.14 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 37 L 8.72 5.03 0.00 1.24 1.51 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 3.92 0.00 1.94 1.71 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 39 E 8.50 4.10 0.00 2.01 1.84 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 2.27 2.25 0.00 40 G 8.47 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 41 S 7.44 4.21 0.00 4.12 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 42 P 0.00 4.43 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 43 V 7.88 4.56 2.16 0.00 0.00 0.00 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 1.02 0.00 0.00 44 T 8.33 4.03 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 L 8.24 4.74 0.00 1.62 1.67 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.84 4.73 0.00 2.79 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 47 L 8.30 4.80 0.00 1.72 1.87 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.92 4.64 0.00 1.88 1.91 0.00 3.16 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 49 Y 8.95 4.57 0.00 2.82 3.09 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 0.00 0.00 0.00 0.00 50 N 8.30 5.15 0.00 3.03 3.17 0.00 0.00 5.73 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.96 5.13 0.00 2.05 2.03 0.00 3.02 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 52 V 8.58 4.52 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.36 0.00 0.00 53 R 8.51 4.49 0.00 1.58 1.12 0.00 3.22 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 54 V 8.42 4.03 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 0.00 0.00 1.04 0.00 0.00 0.04 0.00 0.00 55 F 8.93 5.89 0.00 3.00 2.87 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 56 Y 8.16 5.23 0.00 3.23 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 N 9.36 5.08 0.00 2.89 2.87 0.00 0.00 7.33 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 58 P 0.00 4.91 0.00 2.30 2.18 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 59 G 9.29 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.13 4.28 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 1.24 0.00 0.00 61 N 8.30 4.25 0.00 2.92 2.84 0.00 0.00 6.25 7.05 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 62 V 7.55 4.67 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 1.19 0.00 0.00 1.03 0.00 0.00 63 V 8.56 4.24 2.28 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 1.17 0.00 0.00 1.16 0.00 0.00 64 N 8.34 4.97 0.00 2.96 2.88 0.00 0.00 6.74 7.78 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 65 H 7.83 4.85 0.00 3.42 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.40 3.99 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 0.83 0.00 0.00 0.94 0.00 0.00 67 P 0.00 4.61 0.00 2.35 2.11 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 68 H 8.57 5.49 0.00 2.91 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.44 3.74 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 0.54 0.00 0.00 0.69 0.00 0.00 70 G 9.16 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00