NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4403 8.1933 115.2899 57.8371 63.4029 174.3560 1 R 3.7899 8.5740 128.0281 58.6039 29.7592 177.3083 2 M 4.0196 8.1169 118.0425 58.3180 32.7134 177.6864 3 K 4.0627 7.8115 119.9402 59.7482 32.5174 178.7980 4 Q 3.9801 8.1932 118.3053 58.7888 28.5644 178.6694 5 L 3.9681 7.9296 121.3940 58.1839 42.1728 178.8216 6 E 3.9917 8.4148 118.7650 59.5400 29.3806 179.1632 7 D 4.3655 8.4611 119.2588 57.2776 40.8065 178.9703 8 K 4.0053 8.0021 118.8041 59.3325 31.9513 179.5813 9 V 3.5776 7.8401 118.5880 66.0250 31.4609 177.9342 10 E 3.9512 8.1734 118.3455 59.4392 29.2812 178.8847 11 E 3.9761 8.3126 119.2860 59.3457 29.5468 178.9736 12 L 4.0308 8.2536 119.2273 57.6702 41.7410 179.2647 13 L 3.9848 8.3119 119.4292 57.9082 41.5849 179.6316 14 S 4.1840 8.2102 113.0697 61.2793 62.3823 176.3383 15 K 4.0676 8.3321 121.4038 59.3775 31.7198 178.8337 16 N 4.3175 8.5187 117.6886 56.6879 38.9218 176.2105 17 Y 4.1131 7.8754 120.3979 61.2436 38.9532 177.9371 18 H 3.9264 8.0783 116.8663 58.5627 28.7365 177.6666 19 L 3.9057 7.9760 122.1840 58.0756 41.9240 178.4714 20 E 3.8741 8.2537 119.3413 59.5055 29.4703 178.4824 21 N 4.1874 7.7597 115.8435 56.4360 38.6281 177.6258 22 R 3.8780 7.7802 118.9797 59.0021 30.0624 179.2424 23 V 3.5307 7.9722 117.9468 65.9722 31.7025 177.8046 24 A 4.2042 8.5175 122.1841 54.6019 18.0475 179.4075 25 R 3.8337 8.1400 117.1406 59.7066 30.0110 178.8012 26 L 3.9994 7.7307 118.1505 57.7780 41.1100 179.1205 27 E 3.9579 8.3857 118.7131 59.4766 29.1537 179.7127 28 K 4.0116 7.7156 117.1311 59.2152 32.1891 179.0094 29 L 4.0720 7.4076 119.6029 58.1003 42.1768 178.9409 30 V 3.7267 7.7529 117.1429 67.2737 31.7007 175.8827 31 G 3.7209 7.7989 110.6848 45.4000 0.0000 173.3696 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 0 S 8.19 4.44 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 3.79 0.00 1.97 1.97 0.00 3.18 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 2 M 8.12 4.02 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 3 K 7.81 4.06 0.00 1.81 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 4 Q 8.19 3.98 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 5 L 7.93 3.97 0.00 2.01 1.84 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.41 3.99 0.00 2.24 1.98 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 2.33 2.50 0.00 7 D 8.46 4.37 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 8 K 8.00 4.01 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 V 7.84 3.58 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 1.11 0.00 0.00 0.97 0.00 0.00 10 E 8.17 3.95 0.00 2.18 1.98 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 2.54 2.46 0.00 11 E 8.31 3.98 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 12 L 8.25 4.03 0.00 1.92 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.31 3.98 0.00 1.84 1.73 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.21 4.18 0.00 4.05 4.04 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 15 K 8.33 4.07 0.00 1.99 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.70 7.81 16 N 8.52 4.32 0.00 2.91 3.03 0.00 0.00 6.83 8.42 0.00 0.00 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 7.88 4.11 0.00 3.05 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 18 H 8.08 3.93 0.00 3.25 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.98 3.91 0.00 2.00 1.65 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.25 3.87 0.00 2.13 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 2.27 2.34 0.00 21 N 7.76 4.19 0.00 2.73 2.70 0.00 0.00 7.06 8.01 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 22 R 7.78 3.88 0.00 2.00 1.95 0.00 3.10 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 23 V 7.97 3.53 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 1.10 0.00 0.00 0.97 0.00 0.00 24 A 8.52 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.83 0.00 1.98 2.09 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 L 7.73 4.00 0.00 1.90 1.69 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.39 3.96 0.00 2.16 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 2.33 2.49 0.00 28 K 7.72 4.01 0.00 1.91 1.86 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 29 L 7.41 4.07 0.00 1.57 1.84 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.75 3.73 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 31 G 7.80 3.72 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 0.00 0.00 0.00