NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3342 8.1744 110.9429 61.6233 70.4309 173.3539 6 N 4.6546 8.0579 118.5824 54.0437 39.1421 173.3936 7 S 4.5238 8.6788 113.9171 57.8234 65.1576 173.5236 8 D 4.8669 8.5357 121.5016 54.7964 41.9210 175.2923 9 F 5.3349 7.9666 114.1430 55.5165 41.6167 173.6538 10 V 4.5056 8.9838 118.6767 61.0602 34.9598 174.0512 11 V 4.8932 8.6849 126.9139 61.2823 33.8783 174.2448 12 I 4.9092 9.0305 128.6571 59.4109 40.4581 174.1486 13 K 4.9931 9.1279 129.2180 54.2472 34.3538 175.0787 14 A 4.3737 8.7303 130.5609 52.1757 19.1573 177.3448 15 L 4.6819 8.7203 122.1104 54.4128 42.5894 175.8013 16 E 4.6608 7.6674 115.8711 54.9686 32.3326 174.3267 17 D 4.4162 8.3729 119.1506 55.5456 41.3156 176.6899 18 G 3.8418 8.4023 108.5990 46.2050 0.0000 173.8618 19 V 3.9338 7.6281 119.9480 62.6238 32.8763 174.4814 20 N 5.3800 8.9515 124.7544 51.4057 41.7144 173.5604 21 V 4.6362 9.0201 123.8512 61.3051 33.8522 174.1289 22 I 4.6486 8.6975 129.8750 59.3671 39.7164 175.0312 23 G 4.1948 8.7035 114.6865 45.0417 0.0000 172.3384 24 L 5.5028 8.6565 124.4665 52.5487 44.3854 176.1999 25 T 4.4719 8.9171 114.7436 62.1351 69.0935 174.1134 26 R 4.4207 7.9705 126.0628 56.6391 30.9972 175.2569 27 G 3.7549 8.7723 109.5589 43.9488 0.0000 173.0690 28 A 4.0571 8.5964 121.6265 54.3759 18.6145 177.6371 29 D 4.7964 7.8198 113.9479 53.0570 42.7609 175.5800 30 T 4.7685 8.3223 121.4284 61.9130 71.0363 173.2066 31 R 4.6859 8.9495 122.3228 54.2467 33.7890 174.3019 32 F 5.2174 8.6870 119.3564 58.1735 38.8071 175.0478 33 H 4.9602 8.9618 119.2812 56.2907 30.3341 174.3354 34 H 4.7683 7.6932 117.4044 55.0901 33.2962 171.9373 35 S 4.8408 8.3619 119.6339 56.4477 64.5879 172.3583 36 E 4.4336 9.1823 129.4781 54.6515 31.0718 174.3812 37 K 4.8072 8.6122 128.8614 55.4370 33.5852 175.3190 38 L 4.9291 9.1329 127.8603 53.2010 44.4605 176.1726 39 D 5.0362 9.0741 123.4849 52.3527 43.4218 175.8593 40 K 3.9522 8.3320 121.1436 58.6551 32.1541 176.9981 41 G 4.0033 9.1783 116.0539 45.1296 0.0000 173.3533 42 E 4.2563 8.0861 119.5473 56.3050 30.8240 176.0299 43 V 4.9041 8.2577 121.5247 61.0287 34.5189 174.3092 44 L 4.7897 9.0749 129.2986 53.2360 45.2298 174.8969 45 I 5.0583 8.4973 126.1042 59.6169 39.2693 174.6599 46 A 4.7177 9.0883 129.4731 50.0958 21.8341 175.2588 47 Q 4.8118 8.6071 120.8973 54.9223 30.4634 175.7702 48 F 4.7117 8.5110 120.8248 57.8399 39.1369 175.0426 49 T 4.7765 9.0889 111.9068 59.5506 72.0833 174.0989 50 E 4.1509 8.9530 121.3604 59.2786 29.6180 177.1440 51 H 4.6194 7.8588 114.6990 56.1108 29.9166 174.1575 52 T 5.2861 8.2642 116.6943 62.0107 70.9863 174.4320 53 S 4.8878 8.9607 120.2337 58.1224 64.8677 173.4945 54 A 5.0913 7.8474 121.2681 51.1880 22.5757 175.1308 55 I 5.0086 8.5341 119.9979 59.3874 40.9591 174.7243 56 K 4.6105 9.0585 127.9338 54.4609 35.0573 174.6206 57 V 4.8131 8.3791 126.2395 61.0576 33.8500 174.3872 58 R 4.5232 9.0613 127.8776 55.7963 33.1615 175.5595 59 G 4.0104 9.0208 110.8489 44.3223 0.0000 172.3222 60 K 4.5588 9.3949 120.5453 55.9436 33.0331 175.5966 61 A 5.1224 8.8894 128.2352 50.8445 23.5335 173.6488 62 Y 4.8359 9.0556 121.3304 56.0884 40.8897 174.5571 63 I 5.1082 8.2307 127.1608 59.5707 40.7990 174.4341 64 Q 5.1978 9.1056 125.6544 54.4293 32.1303 174.9140 65 T 4.9277 8.3645 112.4560 59.7461 72.2499 174.4131 66 R 3.8065 8.5304 120.1831 59.3617 30.0029 176.8309 67 H 4.6426 8.0506 112.9885 55.1737 29.6720 173.6939 68 G 3.7116 7.0628 105.5857 43.9867 0.0000 173.0898 69 V 4.4862 8.0052 119.2627 62.2966 32.9951 176.3975 70 I 4.6106 8.1769 124.5091 59.6564 41.8944 173.1734 71 E 5.1858 8.5968 125.9548 54.5362 32.6248 175.5882 72 S 4.8206 8.7457 118.2953 57.2965 65.7383 172.8677 73 E 4.9092 8.4542 119.4377 54.3307 33.3971 175.9713 74 G 3.7177 8.7046 110.8778 45.9457 0.0000 173.3881 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 5 T 8.17 4.33 4.25 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 1.22 0.00 0.00 6 N 8.06 4.65 0.00 2.79 2.86 0.00 0.00 7.23 6.75 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 7 S 8.68 4.52 0.00 4.08 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 8 D 8.54 4.87 0.00 2.82 2.72 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 9 F 7.97 5.33 0.00 2.91 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 10 V 8.98 4.51 1.97 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 0.98 0.00 0.00 0.73 0.00 0.00 11 V 8.68 4.89 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.21 0.00 0.00 12 I 9.03 4.91 1.88 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 1.10 0.57 0.92 0.00 0.00 13 K 9.13 4.99 0.00 1.84 1.76 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 14 A 8.73 4.37 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.68 0.00 1.56 1.71 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.66 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 17 D 8.37 4.42 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 19 V 7.63 3.93 2.18 0.00 0.00 0.00 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 1.03 0.00 0.00 20 N 8.95 5.38 0.00 2.60 2.58 0.00 0.00 6.21 6.97 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 21 V 9.02 4.64 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.70 4.65 1.38 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.42 -0.17 0.00 0.00 23 G 8.70 4.19 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 0.00 0.00 0.00 24 L 8.66 5.50 0.00 1.93 1.69 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.92 4.47 4.31 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 0.00 0.00 0.00 1.39 0.00 0.00 26 R 7.97 4.42 0.00 1.91 2.00 0.00 3.22 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.77 3.75 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 0.00 0.00 0.00 28 A 8.60 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.80 0.00 2.65 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 30 T 8.32 4.77 4.25 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 1.27 0.00 0.00 31 R 8.95 4.69 0.00 1.83 1.94 0.00 2.78 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 32 F 8.69 5.22 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 33 H 8.96 4.96 0.00 3.15 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.69 4.77 0.00 3.34 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.36 4.84 0.00 3.76 3.61 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 36 E 9.18 4.43 0.00 2.14 1.79 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 2.25 2.28 0.00 37 K 8.61 4.81 0.00 1.77 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 38 L 9.13 4.93 0.00 1.56 1.53 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.07 5.04 0.00 2.76 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 40 K 8.33 3.95 0.00 1.84 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.30 7.81 41 G 9.18 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 42 E 8.09 4.26 0.00 2.02 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 2.32 2.36 0.00 43 V 8.26 4.90 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.07 4.79 0.00 1.73 1.44 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.06 1.75 0.00 0.00 0.82 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 0.67 0.64 0.00 0.00 46 A 9.09 4.72 1.12 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.61 4.81 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.51 4.71 0.00 3.03 2.99 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 0.00 0.00 0.00 49 T 9.09 4.78 4.31 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 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.95 4.15 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 51 H 7.86 4.62 0.00 3.45 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.26 5.29 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 1.37 0.00 0.00 53 S 8.96 4.89 0.00 3.83 4.09 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 54 A 7.85 5.09 1.30 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 0.00 0.00 0.00 55 I 8.53 5.01 1.88 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.85 0.00 0.00 56 K 9.06 4.61 0.00 1.73 1.40 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.35 7.81 57 V 8.38 4.81 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.06 4.52 0.00 1.87 1.67 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.02 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.39 4.56 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.89 5.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.06 4.84 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 5.11 1.92 0.00 0.00 0.83 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 0.89 0.87 0.00 0.00 64 Q 9.11 5.20 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 65 T 8.36 4.93 4.11 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 1.17 0.00 0.00 66 R 8.53 3.81 0.00 1.60 1.75 0.00 3.19 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 67 H 8.05 4.64 0.00 3.17 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.06 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 69 V 8.01 4.49 1.93 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 0.04 0.00 0.00 0.88 0.00 0.00 70 I 8.18 4.61 1.81 0.00 0.00 0.83 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 0.95 0.85 0.00 0.00 71 E 8.60 5.19 0.00 1.81 1.80 0.00 0.00 0.00 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 2.06 0.00 72 S 8.75 4.82 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.45 4.91 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 74 G 8.70 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