NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2844 8.2549 117.2828 56.2742 30.7746 172.8105 2 S 4.7651 8.2460 113.5617 55.2039 66.0654 168.7335 3 V 4.5120 7.8398 118.0003 61.5952 31.7570 172.2711 4 C 5.1114 8.0374 113.8110 54.6686 41.2695 173.7054 5 R 4.8572 8.2653 114.0901 54.4396 32.3150 174.7318 6 Q 4.8765 8.4937 119.3562 55.3354 30.0524 175.1777 7 I 4.3351 8.7064 123.2396 59.2614 41.7018 174.9127 8 K 4.2157 8.2085 126.2651 55.2997 30.6674 175.3569 9 I 3.8243 8.2568 125.3235 60.5640 39.3029 173.5895 10 C 5.3336 8.5001 124.2635 55.3890 44.3059 173.0447 11 R 4.6814 8.1931 119.4027 54.6797 33.1569 175.3073 12 R 4.3504 8.4744 116.8139 57.4658 30.9311 176.3265 13 R 4.5594 7.8972 115.9172 55.7635 33.0560 173.4225 14 G 4.3107 8.8752 119.5452 46.3876 0.0000 174.3083 15 G 3.8921 7.3651 105.2364 43.3456 0.0000 172.7314 16 C 5.2266 8.3109 116.7538 55.8789 44.1006 173.0091 17 Y 4.7855 8.2959 118.5250 57.1726 41.1285 171.9928 18 Y 4.9574 9.0627 118.0796 57.1289 39.0857 175.2542 19 K 4.7001 8.8491 126.6261 54.4873 35.4448 174.0031 20 C 4.7991 8.8003 127.1328 56.7526 43.7558 172.5944 21 T 3.9202 9.1647 122.1120 64.0532 67.8078 172.1588 22 N 4.1533 8.2744 122.7460 53.7388 36.1075 172.5515 23 R 4.4814 7.8477 120.5605 53.6422 32.1408 176.0030 24 P 4.6844 0.0000 0.0000 63.3003 28.7975 175.7377 25 Y 4.0902 7.5701 124.8583 58.4332 39.0572 174.5784 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 4.28 0.00 1.95 2.06 0.00 2.96 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 2 S 8.25 4.77 0.00 3.94 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 3 V 7.84 4.51 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 0.88 0.00 0.00 0.95 0.00 0.00 4 C 8.04 5.11 0.00 3.04 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 5 R 8.27 4.86 0.00 1.82 2.02 0.00 2.90 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 6 Q 8.49 4.88 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 7 I 8.71 4.34 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.02 0.79 0.00 0.00 8 K 8.21 4.22 0.00 1.60 1.62 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 9 I 8.26 3.82 1.53 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.77 -0.41 0.00 0.00 10 C 8.50 5.33 0.00 2.79 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 11 R 8.19 4.68 0.00 1.97 2.02 0.00 3.35 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 12 R 8.47 4.35 0.00 1.77 1.95 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 13 R 7.90 4.56 0.00 1.73 1.73 0.00 3.32 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 14 G 8.88 4.31 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 0.00 15 G 7.37 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.31 5.23 0.00 3.00 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 17 Y 8.30 4.79 0.00 3.02 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 18 Y 9.06 4.96 0.00 2.82 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.70 0.00 1.52 1.49 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 20 C 8.80 4.80 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 3.92 4.18 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 1.17 0.00 0.00 22 N 8.27 4.15 0.00 2.92 2.90 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 23 R 7.85 4.48 0.00 1.84 1.86 0.00 3.23 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 24 P 0.00 4.68 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 25 Y 7.57 4.09 0.00 2.86 2.82 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