NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.5156 8.5398 121.1804 55.8379 33.2386 175.5459 2 L 3.9386 8.4133 126.4921 54.2450 41.0183 174.3964 3 P 4.4466 0.0000 0.0000 61.8063 32.7647 175.8889 4 P 4.3919 0.0000 0.0000 63.8000 32.0645 176.3435 5 G 3.7919 8.8873 110.0633 46.8221 0.0000 172.5638 6 W 5.3512 8.1403 117.1449 54.8181 32.6537 175.2534 7 E 4.9800 9.2376 121.0592 54.6829 34.1521 174.7955 8 K 4.6016 8.9132 121.7004 57.2978 32.8611 176.7225 9 R 4.6308 8.6510 122.9060 54.1338 34.5831 174.7720 10 M 4.6685 8.7603 120.6573 56.0299 31.9149 175.2742 11 S 4.8767 8.5305 113.9772 56.9379 66.4943 174.4341 12 R 3.7526 9.6656 115.9570 56.4724 28.0559 176.6429 13 S 4.1136 8.3434 115.9565 58.6809 61.6022 171.4514 14 S 4.6936 7.7909 118.8083 55.9829 64.0143 173.1258 15 G 4.4824 9.2876 116.8759 45.6031 0.0000 172.1637 16 R 4.7987 5.8400 121.4389 55.6993 33.8424 180.0195 17 V 4.4570 7.6866 127.8158 61.8323 33.5579 171.8069 18 Y 3.6726 8.5349 124.8038 55.7294 40.9343 173.5273 19 Y 5.2643 9.6386 120.0659 56.0691 42.2248 173.4282 20 F 5.4082 9.2754 129.3090 56.2155 42.7808 173.3056 21 N 3.6486 7.4916 125.4031 53.1275 38.6498 175.4083 22 H 3.4309 8.5171 125.5038 58.5318 29.1567 177.5089 23 I 3.7770 7.4510 111.2965 64.1567 37.7199 177.4463 24 T 3.7337 7.4747 116.6113 65.1577 68.7950 172.7792 25 N 3.7858 7.6986 117.4469 53.3483 36.7854 172.5421 26 A 4.6622 6.8360 119.7726 49.9382 22.7026 175.7625 27 S 5.3599 8.9636 118.0274 58.1454 64.4763 173.4978 28 Q 4.8575 9.2921 123.7997 55.0576 31.7239 174.7425 29 W 5.1823 9.6305 117.3319 56.9027 30.8319 175.6478 30 E 4.7930 8.7027 118.7545 54.2142 32.3475 175.2967 31 R 4.3165 8.3809 122.3807 54.9099 30.4565 176.4020 32 P 4.6753 0.0000 0.0000 62.9270 30.6802 177.7143 33 S 4.3354 8.3385 120.6299 60.3033 62.4606 172.3486 34 G 3.8410 8.0642 107.5229 47.5758 0.0000 172.8873 35 N 5.0777 7.8639 116.9067 51.2175 42.0829 173.6130 36 S 4.8662 8.1048 123.7960 58.8224 62.7453 175.8608 37 S 4.1971 8.8593 112.8659 61.4295 63.0146 174.8794 38 S 4.3851 8.1045 112.1959 59.8232 63.0026 173.8368 39 G 3.7368 7.4741 110.9332 45.5847 0.0000 173.2271 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 K 8.54 4.52 0.00 1.72 1.78 0.00 1.59 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.34 7.81 2 L 8.41 3.94 0.00 1.68 1.61 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.45 0.00 2.20 2.13 0.00 3.14 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 4 P 0.00 4.39 0.00 2.20 2.09 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 5 G 8.89 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 0.00 0.00 0.00 6 W 8.14 5.35 0.00 3.13 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 7 E 9.24 4.98 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 8 K 8.91 4.60 0.00 1.65 1.70 0.00 1.91 0.00 0.00 1.46 0.00 0.00 2.51 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.52 1.37 7.81 9 R 8.65 4.63 0.00 0.67 1.31 0.00 3.25 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 1.39 1.45 0.00 10 M 8.76 4.67 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 11 S 8.53 4.88 0.00 4.15 4.16 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 12 R 9.67 3.75 0.00 2.01 2.08 0.00 3.37 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 13 S 8.34 4.11 0.00 4.01 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 14 S 7.79 4.69 0.00 3.83 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 15 G 9.29 4.48 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 0.00 0.00 0.00 16 R 5.84 4.80 0.00 2.03 1.09 0.00 3.27 0.00 0.00 3.31 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 17 V 7.69 4.46 1.88 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 0.33 0.00 0.00 0.73 0.00 0.00 18 Y 8.53 3.67 0.00 3.15 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 19 Y 9.64 5.26 0.00 2.90 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 20 F 9.28 5.41 0.00 2.77 2.80 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 21 N 7.49 3.65 0.00 1.44 1.83 0.00 0.00 6.39 7.41 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 22 H 8.52 3.43 0.00 3.10 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.45 3.78 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.36 0.85 0.00 0.00 24 T 7.47 3.73 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 1.07 0.00 0.00 25 N 7.70 3.79 0.00 2.83 2.90 0.00 0.00 7.04 7.84 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 26 A 6.84 4.66 1.01 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 27 S 8.96 5.36 0.00 3.88 4.05 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 28 Q 9.29 4.86 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.92 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 29 W 9.63 5.18 0.00 3.08 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.79 0.00 2.10 1.95 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 2.29 2.43 0.00 31 R 8.38 4.32 0.00 1.75 1.83 0.00 2.98 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.29 0.00 32 P 0.00 4.68 0.00 2.16 2.18 0.00 3.64 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.00 33 S 8.34 4.34 0.00 4.07 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 34 G 8.06 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 35 N 7.86 5.08 0.00 2.72 2.73 0.00 0.00 7.09 7.67 0.00 0.00 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 S 8.10 4.87 0.00 3.96 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 37 S 8.86 4.20 0.00 3.88 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 38 S 8.10 4.39 0.00 3.81 3.85 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 0.00 0.00 0.00 0.00 39 G 7.47 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