NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8128 8.3544 109.7362 43.7403 0.0000 173.9029 2 S 3.5386 9.2344 111.7819 58.1704 61.3829 170.1761 3 S 4.2197 8.6583 115.9035 61.3255 63.9956 172.9106 4 G 3.7450 6.8561 107.0002 44.8466 0.0000 171.6522 5 S 4.6652 8.0056 117.1123 56.8640 65.6920 173.7391 6 S 4.6225 8.9867 117.4380 56.4029 65.7126 172.0562 7 G 2.9910 7.9269 107.2841 44.9115 0.0000 172.7542 8 T 4.5662 7.8498 120.9026 59.7011 70.3604 173.3322 9 D 4.4562 8.4055 124.4900 52.7403 42.9712 174.7483 10 S 4.5676 8.4256 121.8863 55.6579 64.6229 173.9466 11 K 3.4606 8.4552 124.0713 57.6187 32.1946 176.3941 12 S 4.1353 7.6967 114.7783 57.9509 65.8890 174.5504 13 Y 4.7383 8.3018 124.9590 56.7366 39.1027 174.5175 14 N 5.5677 8.6966 121.6127 50.8268 40.5579 173.7015 15 C 4.4047 9.5927 123.6545 59.2420 32.3524 172.9474 16 N 4.8909 8.8354 123.4800 53.2407 37.2014 175.4193 17 E 4.3882 8.1943 119.6677 57.8008 30.9151 176.0839 18 C 4.5724 8.2848 110.2523 60.9470 31.9701 173.7097 19 G 3.9382 6.9329 108.0818 45.2564 0.0000 173.8206 20 K 4.3836 7.8242 119.2668 54.4341 35.9776 175.2912 21 A 4.7829 8.3198 129.1150 50.7522 20.2456 175.9725 22 F 4.8037 9.1722 120.7718 56.2072 42.1625 176.1575 23 T 4.1971 8.8410 115.7823 66.0766 68.7725 175.7883 24 R 4.5628 7.5764 117.5567 55.0508 32.6458 175.8985 25 I 3.4298 7.6127 116.1880 62.4040 38.1040 177.2605 26 F 4.2771 7.8030 115.0477 59.6259 37.7108 176.9510 27 H 3.7855 6.7636 117.9426 58.5862 29.8768 176.4343 28 L 2.8036 7.0505 121.7122 57.8389 41.5426 178.7769 29 T 3.8040 7.5142 115.5213 66.2455 68.1574 175.9548 30 R 4.0247 7.3772 115.2657 57.5636 30.1876 177.0482 31 H 4.5533 7.9718 119.5688 58.2386 30.4899 176.2355 32 Q 4.1887 7.4868 118.5587 57.5381 28.1988 178.4990 33 K 3.9913 7.8378 119.7293 59.2816 32.2024 178.5385 34 I 3.9183 7.4147 112.1841 63.6521 37.7045 177.9162 35 H 4.2972 7.7706 117.2435 58.1434 29.2364 175.6576 36 T 3.9453 7.3826 115.0530 62.0900 67.7153 173.1404 37 R 4.7928 8.2645 123.3350 54.0958 32.6762 173.9465 38 K 4.7411 8.3427 115.2976 55.1781 35.4648 175.3636 39 S 4.7438 8.0684 114.9919 56.7342 65.4695 172.4895 40 G 3.8030 7.5184 119.5549 45.9420 0.0000 171.6374 41 P 4.3714 0.0000 0.0000 61.6655 32.6705 176.9236 42 S 4.1521 8.7848 117.0657 61.9375 62.6454 175.5350 43 S 4.0056 7.9384 115.0489 61.2828 62.9291 174.9875 44 G 4.2430 8.0006 112.0809 46.0882 0.0000 173.1849 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 G 8.35 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 0.00 0.00 0.00 2 S 9.23 3.54 0.00 4.09 3.95 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 3 S 8.66 4.22 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.86 3.74 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 0.00 5 S 8.01 4.67 0.00 3.78 3.68 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 6 S 8.99 4.62 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 0.00 0.00 0.00 8 T 7.85 4.57 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 1.20 0.00 0.00 9 D 8.41 4.46 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.57 0.00 3.94 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 11 K 8.46 3.46 0.00 1.72 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.48 7.81 12 S 7.70 4.14 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 4.74 0.00 3.04 2.94 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 14 N 8.70 5.57 0.00 2.67 2.76 0.00 0.00 6.24 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 15 C 9.59 4.40 0.00 3.31 3.06 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 0.00 0.00 0.00 0.00 16 N 8.84 4.89 0.00 2.89 2.92 0.00 0.00 6.23 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 17 E 8.19 4.39 0.00 1.77 1.76 0.00 0.00 0.00 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 2.23 0.00 18 C 8.28 4.57 0.00 3.11 3.16 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 0.00 0.00 0.00 0.00 19 G 6.93 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 0.00 0.00 0.00 20 K 7.82 4.38 0.00 1.66 1.43 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.00 7.81 21 A 8.32 4.78 1.13 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 22 F 9.17 4.80 0.00 2.84 2.94 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 23 T 8.84 4.20 4.29 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 1.28 0.00 0.00 24 R 7.58 4.56 0.00 1.29 1.86 0.00 3.26 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 25 I 7.61 3.43 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 0.75 0.00 0.00 26 F 7.80 4.28 0.00 3.27 3.24 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 27 H 6.76 3.79 0.00 2.19 2.88 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.05 2.80 0.00 1.30 1.32 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.51 3.80 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 1.18 0.00 0.00 30 R 7.38 4.02 0.00 1.96 2.16 0.00 3.18 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 31 H 7.97 4.55 0.00 3.05 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.49 4.19 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.61 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 33 K 7.84 3.99 0.00 1.69 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 34 I 7.41 3.92 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.23 0.88 0.00 0.00 35 H 7.77 4.30 0.00 3.33 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.38 3.95 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 1.32 0.00 0.00 37 R 8.26 4.79 0.00 1.90 1.89 0.00 3.03 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 38 K 8.34 4.74 0.00 1.83 1.78 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.36 7.81 39 S 8.07 4.74 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.52 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.37 0.00 2.19 2.06 0.00 3.77 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 1.95 0.00 42 S 8.78 4.15 0.00 3.85 3.92 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 43 S 7.94 4.01 0.00 3.90 3.92 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 44 G 8.00 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 0.00 0.00 0.00 0.00