NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3103 8.4293 120.2148 55.9760 30.7651 174.6122 2 P 4.5687 0.0000 0.0000 62.3661 31.7819 171.9550 3 V 4.1671 8.4828 109.9352 62.5490 34.6473 168.7670 4 D 4.3928 8.5483 129.8526 52.2786 40.5204 171.5789 5 P 4.0321 0.0000 0.0000 65.1398 31.4193 177.2568 6 C 4.4465 8.0294 119.7099 55.1313 41.6256 173.7286 7 F 3.6697 8.1288 115.9231 59.2336 36.2000 175.4605 8 R 4.6420 6.9888 131.8237 56.5539 29.8457 175.9188 9 A 4.2562 7.2573 118.7257 51.2117 19.3160 174.5875 10 N 3.9312 8.1556 118.9312 55.2969 35.9535 173.9079 11 C 5.1220 8.2750 118.6075 55.4279 44.2759 174.2191 12 E 4.6766 8.2746 116.9233 55.9909 30.9755 173.5252 13 Y 4.0690 7.7085 124.2888 56.7236 44.3186 175.4796 14 Q 4.7300 8.6431 121.5332 54.6245 33.2549 175.2651 15 C 5.1909 8.5827 115.6726 56.0333 42.2895 174.8636 16 Q 4.2990 8.5942 123.4131 52.9878 30.0954 168.9847 17 P 4.1457 0.0000 0.0000 62.6256 31.3074 174.5635 18 L 3.5790 8.4015 125.0998 55.3639 37.0308 174.8418 19 N 4.7442 7.6931 119.7315 52.3259 37.5649 174.0179 20 Q 3.8348 8.0459 120.3576 55.3609 28.1196 173.8246 21 T 4.8046 7.9888 115.5294 61.4959 69.2133 172.3668 22 S 4.4776 7.5211 123.0061 57.4899 64.2055 175.5004 23 Y 4.8035 9.0104 105.2950 56.1510 38.5963 173.4304 24 L 3.8788 8.0308 123.6932 57.0031 43.3110 172.0602 25 C 3.9092 8.7317 122.9201 57.3668 37.4370 172.5874 26 V 4.5587 7.6812 126.7808 61.6685 33.3008 173.1071 27 C 4.3198 8.3062 115.7653 56.5449 40.8353 177.1849 28 A 2.5800 7.1852 128.8560 53.2684 22.5575 176.2891 29 E 4.2047 8.3276 113.4862 58.2698 31.2482 177.6384 30 G 3.8971 7.7550 109.5304 43.1966 0.0000 172.9336 31 F 4.4012 7.6316 116.1427 56.4722 43.0088 174.1657 32 A 4.5011 8.6592 128.3257 50.1607 19.8629 174.4340 33 P 5.2259 0.0000 0.0000 62.2972 31.9595 176.5763 34 I 3.7223 8.6525 119.0732 60.3826 38.1001 175.1445 35 P 4.1915 0.0000 0.0000 66.1587 31.1575 176.7484 36 H 4.7015 7.5719 112.4281 54.5969 28.8477 174.2194 37 E 4.7861 7.5892 117.4473 56.3010 33.6085 173.8148 38 P 4.6196 0.0000 0.0000 64.6933 32.6339 177.3592 39 H 5.0095 7.9433 112.2712 56.6194 28.9611 175.0702 40 R 4.7325 7.2862 117.9956 54.7131 32.4395 173.9696 41 C 5.5889 8.2987 115.9044 56.0942 44.4302 173.7744 42 Q 4.4720 8.0676 117.0296 55.7036 29.5676 170.5082 43 M 2.5817 8.7229 122.8572 53.6994 32.0812 176.6072 44 F 3.8446 8.6653 124.0412 58.5235 39.4341 174.5357 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 E 8.43 4.31 0.00 1.91 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 2.18 2.33 0.00 2 P 0.00 4.57 0.00 2.21 2.09 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 3 V 8.48 4.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.83 0.00 0.00 4 D 8.55 4.39 0.00 2.93 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 5 P 0.00 4.03 0.00 2.15 2.12 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 6 C 8.03 4.45 0.00 2.91 3.12 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 7 F 8.13 3.67 0.00 3.14 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 8 R 6.99 4.64 0.00 1.88 1.76 0.00 3.15 0.00 0.00 3.16 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 0.00 9 A 7.26 4.26 0.13 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 0.00 0.00 10 N 8.16 3.93 0.00 2.88 2.87 0.00 0.00 6.90 7.69 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 11 C 8.27 5.12 0.00 2.88 2.96 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 0.00 0.00 0.00 12 E 8.27 4.68 0.00 1.87 1.82 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 2.18 2.22 0.00 13 Y 7.71 4.07 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 14 Q 8.64 4.73 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 15 C 8.58 5.19 0.00 2.78 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 16 Q 8.59 4.30 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 17 P 0.00 4.15 0.00 2.07 2.06 0.00 3.85 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 2.04 2.15 0.00 18 L 8.40 3.58 0.00 1.83 1.77 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.69 4.74 0.00 2.79 2.77 0.00 0.00 7.75 7.15 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 20 Q 8.05 3.83 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.26 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 21 T 7.99 4.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 S 7.52 4.48 0.00 4.08 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.01 4.80 0.00 3.11 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 24 L 8.03 3.88 0.00 1.62 1.35 0.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.73 3.91 0.00 3.15 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 26 V 7.68 4.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 27 C 8.31 4.32 0.00 3.01 2.91 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 28 A 7.19 2.58 0.31 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 29 E 8.33 4.20 0.00 1.94 1.97 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 2.22 2.27 0.00 30 G 7.75 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 0.00 0.00 0.00 31 F 7.63 4.40 0.00 2.92 2.98 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 0.00 0.00 0.00 32 A 8.66 4.50 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.23 0.00 1.98 2.21 0.00 4.08 0.00 0.00 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 34 I 8.65 3.72 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.94 0.00 0.00 35 P 0.00 4.19 0.00 2.10 2.16 0.00 3.55 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 1.81 1.86 0.00 36 H 7.57 4.70 0.00 3.24 3.42 0.00 5.61 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.59 4.79 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 38 P 0.00 4.62 0.00 2.37 2.28 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 39 H 7.94 5.01 0.00 3.33 3.66 0.00 5.09 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.29 4.73 0.00 1.95 1.88 0.00 3.11 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 41 C 8.30 5.59 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.07 4.47 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 5.96 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 43 M 8.72 2.58 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.14 0.00 44 F 8.67 3.84 0.00 2.95 2.84 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