NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6149 8.3349 116.7957 58.5595 64.3163 173.3553 2 V 4.2213 7.3232 124.2173 59.9408 32.7121 175.7077 3 S 4.8405 8.5741 124.6746 57.3809 67.6113 173.6646 4 E 3.9581 8.5988 123.4035 59.6300 29.3364 179.2101 5 I 3.6283 7.6384 119.1579 64.5564 37.2859 178.0371 6 Q 4.0904 8.0782 119.8318 59.0881 28.8699 177.8808 7 L 3.9757 8.5995 121.8029 58.3924 41.8920 178.9357 8 M 4.2530 7.7528 117.2971 58.7198 32.2781 178.1296 9 H 4.4604 8.0678 116.2597 59.0591 28.6744 177.6177 10 N 4.4062 8.4149 117.5266 55.5620 38.3498 176.1930 11 L 4.6742 7.6827 119.4882 54.3519 42.8145 176.3488 12 G 3.7679 7.5373 105.1522 43.6451 0.0000 173.7042 13 K 4.5499 7.6659 117.9798 57.7820 39.3013 176.2598 14 H 4.1062 8.6121 114.4379 59.3190 27.4962 177.0370 15 L 3.1798 5.6200 114.8458 55.2116 41.8756 176.0816 16 N 4.4187 6.7406 123.8648 52.9402 45.7800 174.2434 17 S 4.5752 7.7115 117.7493 58.0370 69.0358 177.7166 18 M 4.3154 7.6364 117.2032 56.8808 31.4258 177.9407 19 E 4.2739 8.3418 121.5608 58.9462 29.7569 179.1161 20 R 3.9364 7.9176 115.6881 59.0809 29.2458 178.8718 21 V 3.6338 7.7464 118.0195 65.9477 31.6158 177.4072 22 E 4.1838 8.1042 117.1652 58.8921 29.2161 178.7245 23 W 3.9837 8.7369 130.5199 59.9475 30.9376 177.4365 24 L 4.3738 8.3354 116.8464 57.2121 40.3687 177.9404 25 R 4.3887 7.8393 116.7086 57.5273 32.5600 177.1493 26 K 4.0810 8.5309 118.4914 58.0740 31.9657 178.7511 27 K 3.6846 7.0483 117.4632 59.6978 32.0052 178.5752 28 L 3.9963 7.5702 118.1952 58.9426 40.2253 178.9743 29 Q 4.3603 7.7878 117.5337 57.2815 29.1117 175.8780 30 D 4.5628 8.2477 120.8049 52.3692 43.0761 176.0108 31 V 3.7813 8.2527 116.4993 61.4992 31.6033 176.6355 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 S 8.33 4.61 0.00 3.88 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 0.00 2 V 7.32 4.22 2.10 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 0.71 0.00 0.00 0.96 0.00 0.00 3 S 8.57 4.84 0.00 3.85 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 4 E 8.60 3.96 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 5 I 7.64 3.63 1.89 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 1.54 0.78 0.97 0.00 0.00 6 Q 8.08 4.09 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 7 L 8.60 3.98 0.00 1.93 1.81 0.94 1.01 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 8 M 7.75 4.25 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.01 0.00 9 H 8.07 4.46 0.00 3.43 3.34 0.00 5.62 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 10 N 8.41 4.41 0.00 2.93 2.88 0.00 0.00 7.02 7.78 0.00 0.00 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 L 7.68 4.67 0.00 1.82 1.67 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.54 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.55 0.00 1.77 1.80 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.25 1.32 7.81 14 H 8.61 4.11 0.00 3.18 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 5.62 3.18 0.00 1.49 1.59 0.43 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 N 6.74 4.42 0.00 2.67 2.64 0.00 0.00 6.71 7.63 0.00 0.00 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 S 7.71 4.58 0.00 3.79 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 18 M 7.64 4.32 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 19 E 8.34 4.27 0.00 2.00 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 2.42 2.22 0.00 20 R 7.92 3.94 0.00 2.12 2.05 0.00 3.14 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 21 V 7.75 3.63 2.32 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 0.93 0.00 0.00 1.01 0.00 0.00 22 E 8.10 4.18 0.00 2.23 2.23 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 2.62 2.41 0.00 23 W 8.74 3.98 0.00 3.55 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.37 0.00 1.93 2.11 0.96 0.79 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 25 R 7.84 4.39 0.00 1.74 1.95 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.90 0.00 26 K 8.53 4.08 0.00 1.70 1.94 0.00 1.67 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.60 7.81 27 K 7.05 3.68 0.00 1.31 1.31 0.00 1.11 0.00 0.00 0.65 0.00 0.00 2.87 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.71 0.21 7.81 28 L 7.57 4.00 0.00 1.70 1.70 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.79 4.36 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 30 D 8.25 4.56 0.00 2.50 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.78 2.04 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 0.60 0.00 0.00 0.90 0.00 0.00