NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1612 8.2549 117.2628 54.8304 31.0174 175.1581 2 P 4.0884 0.0000 0.0000 62.1633 31.8805 176.1719 3 D 4.4212 8.5654 122.0053 57.1439 41.9108 178.5591 4 F 4.4082 8.0787 113.8540 59.5982 38.0905 177.6625 5 C 4.5400 7.2411 117.9267 58.7456 40.0382 174.2620 6 L 4.3802 7.5370 119.0713 55.7480 42.3568 177.3073 7 E 4.0784 7.6253 114.5787 55.5944 29.8268 175.2170 8 P 4.3418 0.0000 0.0000 61.7961 32.0442 174.3058 9 P 3.6857 0.0000 0.0000 62.6747 30.7384 175.8741 10 Y 4.5616 7.8742 123.4185 55.5048 38.5426 175.1755 11 T 4.1682 7.7047 121.5494 62.2892 67.5793 175.1716 12 G 3.5958 5.8363 104.3992 43.5467 0.0000 171.5154 13 P 4.3112 0.0000 0.0000 64.3555 31.6685 177.3925 14 C 4.5628 7.6128 116.3881 56.2599 41.1415 173.3884 15 K 3.8819 8.1987 118.6569 57.2371 32.3191 177.2375 16 A 4.1833 7.7211 121.6121 51.8803 19.8898 176.9583 17 R 4.6749 8.2328 117.3819 54.0267 30.8272 173.4708 18 I 4.4510 8.3679 122.6086 58.9583 40.0607 174.8774 19 I 4.1251 8.3052 128.1220 61.4606 37.5947 175.5578 20 R 4.6473 8.4321 125.0664 54.5858 34.7569 173.9020 21 Y 5.5035 9.0362 118.2505 57.0192 40.7262 174.9623 22 F 5.7115 9.1640 115.7459 55.7915 41.7050 172.6625 23 Y 4.2768 10.1902 123.3432 57.4836 39.9654 174.0568 24 N 4.6675 8.3783 127.1777 51.6574 38.0513 174.8357 25 A 3.9023 8.5627 127.5317 54.8056 18.0524 178.6694 26 K 3.7512 7.5209 114.6668 59.6795 31.2562 177.1334 27 A 3.9369 7.9293 121.1355 52.9080 18.7266 178.5699 28 G 3.9483 8.3681 103.6704 45.1325 0.0000 172.9310 29 L 4.5707 6.5911 118.8578 54.6421 44.5456 173.2300 30 C 4.9623 8.5662 116.5565 56.1998 42.1553 173.6204 31 Q 4.7977 8.1951 122.3577 54.0384 32.2705 174.5955 32 T 4.9861 8.4158 110.4035 61.2849 70.5630 173.7537 33 F 5.0602 9.2792 117.7425 55.8651 42.1900 172.9913 34 V 4.3446 8.4040 118.8824 61.5634 32.8772 173.8990 35 Y 4.6361 8.5986 130.5312 57.0745 39.9145 176.2254 36 G 3.6007 8.4900 112.8108 46.6407 0.0000 174.8220 37 G 3.7579 5.8391 105.9275 45.3021 0.0000 172.3204 38 C 4.8624 7.5469 113.0519 55.2432 44.1305 173.4627 39 R 3.7686 8.8338 116.6782 56.6973 27.2478 176.7454 40 A 4.2833 7.5032 115.9485 52.8881 18.8922 178.1377 41 K 4.5508 8.3473 119.5101 54.6681 34.6821 176.6860 42 R 3.7200 8.2722 117.4212 58.4797 30.2654 177.2841 43 N 5.2124 7.5740 117.5708 51.1081 37.0549 172.4530 44 N 5.0605 7.7371 113.2307 52.7623 42.1724 173.2406 45 F 4.8743 9.4777 125.2620 55.6991 42.8156 176.4383 46 K 4.0536 9.1831 123.9031 58.3549 32.7098 177.4074 47 S 4.6914 8.0161 112.8913 55.9308 64.8641 174.0856 48 A 3.2324 7.7890 130.8760 54.8647 17.9668 178.7130 49 E 3.7457 7.9942 117.2514 59.8282 29.4745 178.8326 50 D 4.3626 7.6723 118.6404 57.3468 40.8290 177.8690 51 C 2.4500 7.7526 119.1349 59.2019 43.6314 175.5602 52 M 3.8794 7.7047 118.4841 58.4131 30.5550 178.2483 53 R 3.7889 7.8424 119.0316 59.2059 30.2302 178.3372 54 T 4.1313 7.8905 114.4673 66.4256 68.9783 175.8533 55 C 4.2852 7.9897 115.3144 56.8408 40.8160 174.1552 56 G 3.5899 7.8426 114.9410 45.5988 0.0000 173.5608 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 R 8.25 4.16 0.00 1.65 1.79 0.00 2.95 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 2 P 0.00 4.09 0.00 1.28 1.88 0.00 3.28 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.09 0.00 3 D 8.57 4.42 0.00 2.77 2.74 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 4 F 8.08 4.41 0.00 3.23 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.24 4.54 0.00 2.88 3.04 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 0.00 0.00 0.00 0.00 6 L 7.54 4.38 0.00 1.63 1.77 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.63 4.08 0.00 2.15 2.02 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 2.54 2.49 0.00 8 P 0.00 4.34 0.00 2.00 1.98 0.00 3.68 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 2.02 2.08 0.00 9 P 0.00 3.69 0.00 0.59 0.49 0.00 3.36 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.00 10 Y 7.87 4.56 0.00 2.95 2.93 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 0.00 0.00 0.00 0.00 11 T 7.70 4.17 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 1.10 0.00 0.00 12 G 5.84 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.18 2.20 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 14 C 7.61 4.56 0.00 2.75 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 15 K 8.20 3.88 0.00 1.66 1.80 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.44 7.81 16 A 7.72 4.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.67 0.00 1.60 1.78 0.00 3.14 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.37 4.45 1.90 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 1.17 1.09 0.93 0.00 0.00 19 I 8.31 4.13 1.76 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 1.24 0.39 0.60 0.00 0.00 20 R 8.43 4.65 0.00 0.67 1.62 0.00 3.37 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 21 Y 9.04 5.50 0.00 3.06 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 22 F 9.16 5.71 0.00 3.28 3.18 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 23 Y 10.19 4.28 0.00 3.02 3.13 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 24 N 8.38 4.67 0.00 2.22 2.40 0.00 0.00 6.60 7.74 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 25 A 8.56 3.90 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 26 K 7.52 3.75 0.00 1.72 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 27 A 7.93 3.94 1.20 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 28 G 8.37 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 0.00 0.00 0.00 29 L 6.59 4.57 0.00 1.74 1.72 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.57 4.96 0.00 2.84 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.80 0.00 1.41 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 32 T 8.42 4.99 4.07 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 F 9.28 5.06 0.00 2.96 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 34 V 8.40 4.34 2.09 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 0.89 0.00 0.00 0.90 0.00 0.00 35 Y 8.60 4.64 0.00 2.61 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 36 G 8.49 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.84 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 0.00 0.00 0.00 38 C 7.55 4.86 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.83 3.77 0.00 2.17 2.28 0.00 3.31 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 7.50 4.28 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.55 0.00 1.80 1.89 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.23 1.37 7.81 42 R 8.27 3.72 0.00 1.13 0.66 0.00 2.99 0.00 0.00 2.90 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.00 43 N 7.57 5.21 0.00 3.42 2.94 0.00 0.00 6.95 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 44 N 7.74 5.06 0.00 2.86 2.68 0.00 0.00 7.07 7.02 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 45 F 9.48 4.87 0.00 3.19 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 46 K 9.18 4.05 0.00 1.77 1.91 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.50 7.81 47 S 8.02 4.69 0.00 3.92 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 48 A 7.79 3.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.75 0.00 1.96 1.92 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 2.35 2.38 0.00 50 D 7.67 4.36 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.75 2.45 0.00 2.32 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 52 M 7.70 3.88 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 53 R 7.84 3.79 0.00 1.78 2.20 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 54 T 7.89 4.13 4.45 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 1.48 0.00 0.00 55 C 7.99 4.29 0.00 2.53 2.03 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 56 G 7.84 3.59 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