NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3112 8.1631 117.3743 63.0532 69.9283 173.3572 2 G 3.4800 8.3324 114.5819 45.0921 0.0000 172.6299 3 A 4.6882 8.1600 125.1706 52.4188 21.0772 176.4349 4 G 4.3647 7.1403 111.7730 44.8037 0.0000 176.2624 5 T 3.8746 8.9793 121.3277 66.2694 67.9064 173.4674 6 P 4.2414 0.0000 0.0000 65.5726 31.4781 177.4336 7 S 4.5060 8.1866 113.5703 59.2251 63.2471 175.7306 8 Q 4.2454 8.3115 122.0281 58.0976 28.3125 178.2779 9 G 3.6612 8.0646 108.1889 48.2418 0.0000 174.2991 10 K 4.2883 7.8917 116.4967 56.8032 32.6449 178.0500 11 K 4.4152 7.5883 120.7146 55.3883 30.0781 176.4195 12 N 5.0701 7.8014 116.3078 52.6451 38.4047 175.1506 13 T 4.5442 7.9193 114.4385 63.1740 70.5266 174.1654 14 T 4.5017 8.3168 122.0797 62.2936 69.5991 172.7025 15 T 4.3151 7.5571 114.4407 63.0071 71.2401 172.8062 16 H 4.8122 8.1292 119.3926 55.0016 30.0891 174.6244 17 T 4.7857 10.3359 112.8303 58.8988 72.8796 172.9101 18 K 4.3100 8.7025 122.8748 57.0982 32.7401 175.5555 19 C 4.1482 10.0361 129.8802 58.9645 32.0898 174.1375 20 R 3.6869 8.4415 126.8744 59.5007 29.9511 177.5772 21 R 3.6773 7.2878 116.4013 58.6408 29.8329 176.5145 22 C 4.4182 7.9095 110.2367 57.2744 30.8975 175.1780 23 G 3.8199 8.0840 108.4599 45.4678 0.0000 173.4483 24 E 4.2805 7.4239 119.2340 55.1016 31.2123 176.4931 25 K 4.6663 8.1110 124.3542 55.3875 29.8127 176.3416 26 S 4.8139 7.6668 113.3132 58.1989 66.7160 173.8826 27 Y 4.7688 8.9324 123.7964 56.9936 39.2231 174.3675 28 H 4.4857 8.9442 128.7961 55.7807 29.6873 175.5553 29 T 3.7916 8.9008 122.5553 64.4518 67.0617 175.2797 30 K 4.2047 8.2335 119.4905 58.1586 32.7268 177.7823 31 K 4.0655 7.8611 116.4372 56.0236 33.0057 176.5546 32 K 3.2335 9.0061 117.9786 56.9801 29.9319 175.3229 33 V 4.6865 6.9348 116.1717 61.1914 35.0391 173.1473 34 C 5.1166 9.1554 127.5597 58.6180 32.1878 174.5335 35 S 4.4051 9.0302 122.1312 60.3627 63.2987 175.4064 36 S 4.4276 8.2418 115.4525 60.3532 62.6765 174.3301 37 C 4.4334 8.1571 112.7926 57.5872 30.5626 175.0659 38 G 4.0037 8.3261 109.2315 45.0164 0.0000 173.1669 39 F 4.4139 8.1186 122.4831 60.1050 39.5292 175.6185 40 G 3.7289 8.6925 115.4225 45.8913 0.0000 173.3957 41 K 4.3337 8.3549 118.5208 57.1749 34.0400 175.9870 42 S 4.7121 7.7509 110.2818 56.0888 65.2389 173.4369 43 A 4.2004 8.6778 129.6580 54.9951 18.5575 178.6307 44 K 4.2605 7.7050 113.3456 56.1757 32.9026 176.8707 45 R 4.4095 8.1431 120.2707 55.7003 31.0380 176.5415 46 R 3.8717 8.5141 124.1746 56.7761 30.5485 175.2867 47 D 4.4741 7.4603 122.5712 53.8860 44.2941 174.1539 48 Y 4.5485 9.0082 121.3710 55.9794 41.8560 176.5582 49 E 4.0037 8.6967 122.3501 58.8775 29.5663 178.0716 50 W 4.5742 7.7541 114.1042 57.3528 28.4339 177.1476 51 Q 4.4819 7.6606 117.6190 56.9890 28.1543 175.3011 52 S 4.6752 7.4822 110.6792 56.5426 66.5191 174.1173 53 K 4.0866 8.5247 119.8576 56.2129 32.3722 178.0453 54 A 4.0354 8.8760 125.6450 55.0702 18.3921 178.7232 55 G 4.1745 7.6474 103.6401 44.4908 0.0000 173.1495 56 E 4.2524 8.0451 125.1282 56.4538 29.9766 174.2848 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 T 8.16 4.31 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 1.21 0.00 0.00 2 G 8.33 3.48 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 3 A 8.16 4.69 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 4 G 7.14 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 0.00 0.00 0.00 0.00 5 T 8.98 3.87 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 1.21 0.00 0.00 6 P 0.00 4.24 0.00 2.22 2.20 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 7 S 8.19 4.51 0.00 4.14 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 8 Q 8.31 4.25 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 9 G 8.06 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.89 4.29 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.59 4.42 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.46 7.81 12 N 7.80 5.07 0.00 2.77 2.84 0.00 0.00 6.27 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 13 T 7.92 4.54 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 1.20 0.00 0.00 14 T 8.32 4.50 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 1.21 0.00 0.00 15 T 7.56 4.32 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 1.14 0.00 0.00 16 H 8.13 4.81 0.00 3.07 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 10.34 4.79 4.34 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 1.32 0.00 0.00 18 K 8.70 4.31 0.00 1.80 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 19 C 10.04 4.15 0.00 3.17 2.85 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 20 R 8.44 3.69 0.00 1.53 1.45 0.00 3.09 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 21 R 7.29 3.68 0.00 0.67 1.45 0.00 3.26 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 22 C 7.91 4.42 0.00 3.10 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 23 G 8.08 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 0.00 0.00 0.00 24 E 7.42 4.28 0.00 1.79 1.90 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 2.31 2.42 0.00 25 K 8.11 4.67 0.00 1.79 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 26 S 7.67 4.81 0.00 3.86 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 27 Y 8.93 4.77 0.00 3.08 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 28 H 8.94 4.49 0.00 3.14 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.90 3.79 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 1.19 0.00 0.00 30 K 8.23 4.20 0.00 1.81 1.83 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 31 K 7.86 4.07 0.00 1.54 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.58 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 0.89 7.81 32 K 9.01 3.23 0.00 1.86 1.88 0.00 1.67 0.00 0.00 1.37 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.47 7.81 33 V 6.93 4.69 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 1.04 0.00 0.00 0.91 0.00 0.00 34 C 9.16 5.12 0.00 3.38 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 35 S 9.03 4.41 0.00 4.10 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 36 S 8.24 4.43 0.00 3.91 3.97 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 37 C 8.16 4.43 0.00 3.16 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 38 G 8.33 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 0.00 0.00 0.00 39 F 8.12 4.41 0.00 3.07 3.09 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 40 G 8.69 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 0.00 0.00 0.00 41 K 8.35 4.33 0.00 1.65 2.01 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 42 S 7.75 4.71 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 43 A 8.68 4.20 1.31 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 0.00 0.00 44 K 7.70 4.26 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 R 8.14 4.41 0.00 1.65 1.81 0.00 3.36 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 46 R 8.51 3.87 0.00 1.85 1.96 0.00 3.44 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 47 D 7.46 4.47 0.00 2.49 2.21 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 48 Y 9.01 4.55 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.00 0.00 2.02 2.05 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 2.30 2.26 0.00 50 W 7.75 4.57 0.00 3.49 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 51 Q 7.66 4.48 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 1.98 1.57 0.00 52 S 7.48 4.68 0.00 3.99 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 53 K 8.52 4.09 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.88 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.65 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 0.00 0.00 0.00 56 E 8.05 4.25 0.00 1.95 1.91 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 2.23 2.24 0.00