NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9692 8.2127 109.7403 45.3347 0.0000 174.2604 2 I 3.5005 8.3293 119.2642 62.5148 37.6228 173.6382 3 V 3.4842 8.4145 120.0852 66.0034 31.5408 177.1627 4 E 3.9467 8.0892 117.7019 59.6674 29.1920 179.1663 5 Q 4.2551 8.4468 118.4967 58.2921 29.2470 176.3003 6 C 5.1210 8.4322 115.9114 55.9865 41.6761 174.0458 7 C 4.2918 8.0942 117.2761 60.5491 29.1504 175.2410 8 T 4.1943 7.3792 116.7188 65.6161 68.3515 175.0293 9 S 4.7016 7.5221 113.4377 56.1874 66.0620 173.2088 10 I 3.8594 8.2840 122.8719 61.7342 37.4111 176.2018 11 C 5.0934 8.5045 122.4388 55.0848 39.6929 174.6714 12 S 4.4992 8.8841 119.6881 58.0724 64.6747 175.5838 13 L 4.0508 8.3800 122.2596 57.9235 41.0507 179.4504 14 Y 4.1606 7.7755 115.9809 61.1328 38.0628 177.7706 15 Q 4.2240 8.1398 118.5263 58.6996 28.7350 178.5703 16 L 4.3217 8.1229 120.2656 57.6344 41.6275 179.0747 17 E 3.9990 8.0927 118.7146 59.2460 29.0951 178.9225 18 N 4.3095 7.7695 115.6985 55.5394 38.7778 175.7393 19 Y 4.4681 7.8970 116.9426 57.2257 38.4257 175.3351 20 C 4.5608 7.3999 118.6057 59.4613 29.0792 173.4403 21 N 4.5817 8.5674 118.4303 53.0543 37.0894 174.5882 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 G 8.21 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 0.00 0.00 0.00 2 I 8.33 3.50 0.98 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 0.68 0.00 0.00 3 V 8.41 3.48 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.09 3.95 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 5 Q 8.45 4.26 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.43 5.12 0.00 2.98 3.05 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 7 C 8.09 4.29 0.00 3.08 2.95 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 8 T 7.38 4.19 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 1.22 0.00 0.00 9 S 7.52 4.70 0.00 3.95 3.90 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 10 I 8.28 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.92 0.00 0.00 11 C 8.50 5.09 0.00 2.98 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 12 S 8.88 4.50 0.00 4.17 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 0.00 13 L 8.38 4.05 0.00 1.47 1.62 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.78 4.16 0.00 3.00 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 15 Q 8.14 4.22 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 16 L 8.12 4.32 0.00 1.90 1.79 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 4.00 0.00 2.28 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 2.35 2.52 0.00 18 N 7.77 4.31 0.00 2.23 2.41 0.00 0.00 6.95 7.86 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 19 Y 7.90 4.47 0.00 3.16 3.01 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 20 C 7.40 4.56 0.00 3.07 2.88 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 0.00 0.00 0.00 0.00 21 N 8.57 4.58 0.00 2.81 2.79 0.00 0.00 5.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00