NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8659 8.4293 120.3942 56.3860 29.8694 171.8846 2 S 4.3790 8.0806 119.1880 55.0656 65.5730 172.5025 3 Q 4.5707 8.8314 120.7213 54.7827 32.8862 176.4607 4 G 3.9803 9.0655 105.2253 45.9362 0.0000 173.0544 5 T 4.0659 7.5544 108.0703 61.4293 70.0065 174.4728 6 F 4.4549 8.8167 124.1065 60.7982 39.7992 175.7292 7 T 3.0686 7.6085 113.6525 62.4143 67.7304 174.1417 8 S 3.1310 7.6000 119.5148 58.5934 62.2692 171.8323 9 D 4.5811 7.7936 118.4584 54.4958 40.5125 176.2880 10 Y 4.4111 6.8432 117.5410 59.1899 38.4837 174.8618 11 S 3.9228 8.5407 117.0331 59.3018 59.6911 167.6469 12 K 4.4141 8.4437 130.2112 56.6047 31.4408 176.8040 13 Y 4.1992 8.0875 117.5513 60.4932 38.8037 176.1340 14 L 3.8944 8.0271 118.8198 55.3020 41.6605 176.2435 15 D 4.6975 7.8204 122.2233 52.7687 44.8366 175.6225 16 S 4.8600 7.8447 112.0517 58.2384 63.8676 176.4395 17 R 4.6786 7.9126 130.2328 54.0742 30.3725 175.3092 18 R 4.0929 8.3974 120.3265 59.7179 31.3012 177.8301 19 A 4.5498 7.6911 121.0091 49.4130 17.7115 175.0719 20 Q 3.2437 9.7534 126.7094 58.5642 29.8318 171.6891 21 D 5.0126 8.8888 127.7412 54.6896 40.7072 176.1260 22 F 4.4861 7.3798 116.0043 59.8332 39.4665 177.6108 23 V 3.6982 7.9837 120.1331 65.6677 31.3969 176.8582 24 Q 4.5421 7.8606 116.9183 56.0534 28.4967 175.5877 25 W 4.8385 8.5265 127.5749 59.1306 32.4348 176.7643 26 L 3.8559 8.3306 115.3762 56.4832 41.7361 176.6988 27 M 4.5373 7.1968 112.2540 54.5049 32.8548 174.5222 28 N 4.3059 8.2601 119.0902 55.0429 38.5821 176.0390 29 T 3.8161 8.6439 111.2203 62.2098 70.3266 171.7878 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 H 8.43 4.87 0.00 3.08 3.36 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.08 4.38 0.00 4.05 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 3 Q 8.83 4.57 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.11 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 4 G 9.07 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 5 T 7.55 4.07 4.36 0.00 0.00 0.00 0.00 0.00 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 6 F 8.82 4.45 0.00 2.88 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 7 T 7.61 3.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 8 S 7.60 3.13 0.00 3.25 2.96 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 9 D 7.79 4.58 0.00 1.58 1.59 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 10 Y 6.84 4.41 0.00 2.91 2.91 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 11 S 8.54 3.92 0.00 4.10 4.17 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 12 K 8.44 4.41 0.00 1.99 2.10 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.43 7.81 13 Y 8.09 4.20 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 14 L 8.03 3.89 0.00 1.65 1.62 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.82 4.70 0.00 2.42 2.37 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 0.00 16 S 7.84 4.86 0.00 3.74 3.69 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 17 R 7.91 4.68 0.00 1.75 1.81 0.00 3.32 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 18 R 8.40 4.09 0.00 1.82 1.99 0.00 3.27 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 1.58 1.64 0.00 19 A 7.69 4.55 1.24 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 20 Q 9.75 3.24 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 5.70 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 21 D 8.89 5.01 0.00 2.54 1.98 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 22 F 7.38 4.49 0.00 3.20 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 23 V 7.98 3.70 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 1.12 0.00 0.00 1.03 0.00 0.00 24 Q 7.86 4.54 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 25 W 8.53 4.84 0.00 3.17 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 3.86 0.00 1.72 1.67 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 M 7.20 4.54 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 28 N 8.26 4.31 0.00 2.88 3.09 0.00 0.00 6.57 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 29 T 8.64 3.82 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 1.22 0.00 0.00