NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1414 8.2601 123.5722 51.2846 19.9862 175.5651 2 A 3.8239 8.3540 119.2290 50.0571 18.6519 175.6205 3 P 4.3058 0.0000 0.0000 63.1522 32.0828 175.4473 4 C 4.3005 7.5250 120.5432 57.4921 44.5018 173.1643 5 F 4.8981 8.6827 124.9528 57.5327 39.9828 174.7882 6 C 5.1073 8.8408 116.5928 55.0046 43.8272 173.6282 7 S 4.4399 8.4742 117.0285 60.0523 62.3522 174.9651 8 G 3.9362 9.4493 115.0541 44.7516 0.0000 172.7811 9 K 4.4495 7.6360 118.9717 53.7308 34.2938 174.6351 10 P 5.1319 0.0000 0.0000 62.1452 34.5110 176.1219 11 G 4.0888 11.3000 112.3006 44.4917 0.0000 175.3811 12 R 4.3494 5.8400 113.4452 55.1979 33.4678 175.5516 13 G 4.1977 9.0367 106.1718 44.3714 0.0000 171.5630 14 D 4.5278 8.7914 122.6012 53.6804 42.1512 175.4370 15 L 4.6619 8.5516 126.4941 54.4491 42.6750 176.0198 16 W 4.4475 9.7544 127.9918 55.6991 32.1344 175.3781 17 I 5.0094 8.2362 120.6660 59.3989 39.1508 175.7094 18 L 4.8854 8.1162 116.5881 56.2667 37.7255 176.4537 19 R 4.4733 7.9072 120.9286 55.6974 32.6122 176.9718 20 G 4.5157 8.7321 103.4800 46.4627 0.0000 172.7476 21 T 4.8345 8.1410 107.3231 60.3890 71.7926 172.1912 22 C 4.2260 8.2310 121.8866 53.4427 42.7246 171.5677 23 P 4.0415 0.0000 0.0000 62.8402 30.4367 176.2687 24 G 4.1116 8.4613 113.8626 45.1628 0.0000 172.1189 25 G 4.5865 8.1078 125.9877 46.4712 0.0000 171.1633 26 Y 3.9724 7.7469 118.1864 59.0039 38.1640 175.5901 27 G 3.6454 7.8751 114.5012 45.7719 0.0000 173.0049 28 Y 4.7656 7.2233 118.6508 58.4225 38.9315 173.9654 29 T 4.7059 8.1627 108.0761 62.3882 76.3373 174.0038 30 S 4.9495 8.0593 118.4814 56.3594 64.7873 172.8268 31 N 5.4564 8.7905 120.9000 51.4618 40.2454 172.3248 32 C 5.2937 8.5590 114.0792 53.9612 44.9074 172.4746 33 Y 4.8607 8.7227 117.6179 56.5133 41.0996 176.5066 34 K 4.6962 8.5406 123.1456 53.4718 33.1747 175.7362 35 W 5.0073 8.5937 121.8464 56.2518 30.2385 174.0129 36 P 3.7362 0.0000 0.0000 62.7965 30.9540 175.2511 37 N 5.4308 7.7537 116.3657 54.0504 43.1675 173.1656 38 I 4.5671 8.4368 117.3841 60.8638 42.2309 173.7258 39 C 5.5406 8.5666 124.8341 55.4634 44.4576 171.9808 40 C 4.8560 9.5273 123.4576 55.1121 44.0488 172.4876 41 Y 4.6239 8.1777 122.6894 55.6446 40.5840 175.1591 42 P 4.2752 0.0000 0.0000 66.0733 31.5671 176.5834 43 H 4.3686 8.1804 116.1379 55.9681 29.3074 174.3205 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 A 8.26 4.14 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 2 A 8.35 3.82 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 3 P 0.00 4.31 0.00 1.79 1.97 0.00 3.66 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 4 C 7.52 4.30 0.00 3.06 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 5 F 8.68 4.90 0.00 2.98 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 6 C 8.84 5.11 0.00 2.92 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 7 S 8.47 4.44 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.45 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 9 K 7.64 4.45 0.00 1.36 1.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.18 7.81 10 P 0.00 5.13 0.00 2.30 2.17 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 11 G 11.30 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 0.00 0.00 0.00 12 R 5.84 4.35 0.00 1.62 1.56 0.00 2.85 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.00 13 G 9.04 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 0.00 0.00 0.00 0.00 14 D 8.79 4.53 0.00 3.09 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 15 L 8.55 4.66 0.00 1.59 1.50 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 W 9.75 4.45 0.00 3.27 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 17 I 8.24 5.01 1.88 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 1.07 1.99 0.93 0.00 0.00 18 L 8.12 4.89 0.00 1.47 1.22 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.91 4.47 0.00 2.02 2.02 0.00 3.54 0.00 0.00 3.65 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 20 G 8.73 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 4.83 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 1.24 0.00 0.00 22 C 8.23 4.23 0.00 2.59 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 23 P 0.00 4.04 0.00 1.60 1.46 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.49 0.00 24 G 8.46 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 0.00 0.00 0.00 0.00 25 G 8.11 4.59 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 0.00 0.00 0.00 26 Y 7.75 3.97 0.00 2.72 2.90 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 0.00 0.00 0.00 27 G 7.88 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.22 4.77 0.00 2.98 2.73 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 29 T 8.16 4.71 4.30 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 1.27 0.00 0.00 30 S 8.06 4.95 0.00 4.00 4.12 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 31 N 8.79 5.46 0.00 2.19 2.45 0.00 0.00 6.10 7.71 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 32 C 8.56 5.29 0.00 3.00 3.17 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 0.00 0.00 0.00 33 Y 8.72 4.86 0.00 2.87 2.98 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 34 K 8.54 4.70 0.00 1.81 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.52 7.81 35 W 8.59 5.01 0.00 3.21 3.31 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 0.00 36 P 0.00 3.74 0.00 1.85 1.63 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 37 N 7.75 5.43 0.00 2.66 2.96 0.00 0.00 6.34 6.64 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 38 I 8.44 4.57 1.78 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.89 1.03 0.00 0.00 39 C 8.57 5.54 0.00 2.93 2.97 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 40 C 9.53 4.86 0.00 2.46 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 0.00 0.00 0.00 0.00 41 Y 8.18 4.62 0.00 3.03 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 42 P 0.00 4.28 0.00 2.08 2.20 0.00 4.09 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 43 H 8.18 4.37 0.00 3.11 2.68 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00