NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5016 0.0000 0.0000 62.3921 33.8155 174.6318 2 F 5.2522 8.7466 123.1736 56.3920 41.5825 172.5010 3 I 4.1619 9.0045 128.7662 59.3909 39.7311 173.8295 4 E 4.6916 8.2845 128.1890 54.3779 31.6397 174.5094 5 C 4.6710 9.0238 125.1709 58.3725 30.8640 172.6818 6 H 5.4499 8.8355 122.2416 54.3438 29.4851 174.4506 7 I 4.8040 8.7399 116.7526 58.3470 41.3565 174.7562 8 A 4.7476 8.5518 124.9100 51.9064 18.7954 177.7366 9 T 3.8956 8.5778 112.6408 62.7569 69.0370 173.6584 10 G 3.7877 8.9908 110.1711 45.7503 0.0000 174.6883 11 L 4.2225 7.6777 120.0785 54.0764 42.5671 177.3835 12 S 4.4247 8.3314 116.7368 57.8679 65.1861 175.7435 13 V 3.5844 8.2743 122.1274 65.0990 31.0157 178.3098 14 A 3.9902 7.9229 121.0636 54.6816 18.3019 179.3677 15 R 3.8388 7.9050 116.8894 59.5595 30.1417 178.9938 16 K 4.0126 8.1113 118.3342 59.3897 32.0340 179.3841 17 Q 3.9655 8.1522 118.3778 59.1272 28.6056 178.7556 18 Q 3.9811 8.2425 120.5475 58.8562 28.9644 177.8536 19 L 3.9330 8.0639 121.5295 58.2089 42.1143 179.0822 20 I 3.6913 7.7192 119.6150 64.4425 37.0032 178.4958 21 R 3.9335 7.9702 118.8421 59.5945 29.8793 178.9309 22 D 4.3344 8.4746 118.9017 57.1561 40.7667 178.9930 23 V 3.5585 8.1520 119.2122 65.9698 31.5145 178.0858 24 I 3.6501 7.8405 119.4993 64.4347 37.0068 177.7691 25 D 4.3323 8.2376 119.0795 57.5302 41.0970 178.8052 26 V 3.7240 8.0260 119.3853 64.6611 31.4675 178.6369 27 T 3.8507 7.8755 116.7857 66.4514 68.3586 175.9835 28 N 4.6842 8.1373 120.3536 56.2786 38.7258 177.0526 29 K 4.0566 7.9713 118.5669 59.1844 32.2033 179.2491 30 S 4.3669 8.1200 114.0671 60.2912 63.4446 175.0210 31 I 4.2409 7.7010 112.2806 59.6578 38.2295 176.2933 32 G 3.9185 8.3167 109.4055 45.6135 0.0000 174.0405 33 S 4.1923 7.7250 116.6218 58.0161 63.5155 173.3020 34 D 4.5679 8.6128 124.7369 53.4524 41.8764 175.0348 35 P 4.2316 0.0000 0.0000 65.5215 31.5256 178.5132 36 K 3.9928 8.7446 117.2235 58.9170 32.3878 177.6206 37 I 4.4041 7.9624 111.6088 60.3305 37.6856 174.5840 38 I 4.6910 7.6415 121.8567 60.2614 38.7069 174.9423 39 N 5.1937 9.2545 123.6863 51.4532 42.4178 173.6067 40 V 4.9588 8.5607 121.9020 61.0108 34.9796 174.0999 41 L 4.8074 9.0088 129.2410 53.1860 44.9772 174.4164 42 L 5.1561 8.6615 128.4821 53.3344 43.7913 175.6214 43 V 4.5037 8.9653 125.7617 59.9289 34.5540 174.1341 44 E 5.1505 8.7372 123.2120 55.0729 31.5339 174.9271 45 H 5.1055 9.1978 119.8461 53.5093 33.7053 173.0537 46 A 4.3573 8.5147 123.2705 51.9912 19.3263 178.7499 47 E 3.8450 8.8675 120.8478 59.3970 29.7332 179.5687 48 A 4.0375 7.8858 120.3111 54.8728 18.4849 177.5825 49 N 4.7439 8.0107 111.0912 53.5346 38.9239 174.7971 50 M 4.7049 7.7656 117.9743 53.3239 34.9705 175.0357 51 S 4.6798 8.4426 116.0528 55.3834 65.2792 172.7558 52 I 4.4002 8.2762 128.2358 60.8554 39.0188 175.9022 53 S 3.5873 9.6154 120.2422 59.7476 60.2902 173.3646 54 G 3.9050 8.3289 104.5377 45.9565 0.0000 174.2297 55 R 4.1962 7.7954 119.7739 55.3809 30.8216 175.4952 56 I 4.2160 8.0669 123.4734 59.3661 38.5810 175.0919 57 H 3.9816 8.7937 125.5593 57.7841 30.1260 175.0519 58 G 3.9128 8.6432 114.4599 45.7495 0.0000 172.9415 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 P 0.00 4.50 0.00 2.12 2.06 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 2 F 8.75 5.25 0.00 2.96 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 3 I 9.00 4.16 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.81 0.00 0.00 4 E 8.28 4.69 0.00 1.28 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 5 C 9.02 4.67 0.00 2.78 2.76 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 6 H 8.84 5.45 0.00 3.04 3.28 0.00 5.64 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 7 I 8.74 4.80 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.91 0.00 0.00 8 A 8.55 4.75 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.58 3.90 4.23 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 0.00 0.00 1.20 0.00 0.00 10 G 8.99 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.68 4.22 0.00 1.65 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.33 4.42 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 14 A 7.92 3.99 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 15 R 7.91 3.84 0.00 1.97 2.07 0.00 3.14 0.00 0.00 3.16 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 16 K 8.11 4.01 0.00 1.99 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 17 Q 8.15 3.97 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 18 Q 8.24 3.98 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 19 L 8.06 3.93 0.00 1.91 1.84 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.72 3.69 2.01 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 1.52 0.65 0.92 0.00 0.00 21 R 7.97 3.93 0.00 2.03 1.99 0.00 3.12 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 1.65 1.89 0.00 22 D 8.47 4.33 0.00 2.88 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 23 V 8.15 3.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 24 I 7.84 3.65 2.02 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 0.55 0.92 0.00 0.00 25 D 8.24 4.33 0.00 2.82 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 26 V 8.03 3.72 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 0.82 0.00 0.00 0.93 0.00 0.00 27 T 7.88 3.85 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 N 8.14 4.68 0.00 2.76 3.07 0.00 0.00 6.77 5.83 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 29 K 7.97 4.06 0.00 1.78 1.85 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.53 7.81 30 S 8.12 4.37 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 4.24 1.87 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 1.37 0.73 0.91 0.00 0.00 32 G 8.32 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.19 0.00 3.91 3.82 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 34 D 8.61 4.57 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.23 0.00 2.22 2.12 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 36 K 8.74 3.99 0.00 1.83 2.03 0.00 1.56 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.39 7.81 37 I 7.96 4.40 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 1.40 0.77 0.92 0.00 0.00 38 I 7.64 4.69 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 1.25 0.81 0.93 0.00 0.00 39 N 9.25 5.19 0.00 2.82 2.77 0.00 0.00 6.03 7.21 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 40 V 8.56 4.96 2.11 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 0.76 0.00 0.00 0.95 0.00 0.00 41 L 9.01 4.81 0.00 2.03 1.55 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.66 5.16 0.00 1.65 1.52 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.97 4.50 2.07 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 0.73 0.00 0.00 0.87 0.00 0.00 44 E 8.74 5.15 0.00 1.81 1.86 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 0.00 2.20 2.28 0.00 45 H 9.20 5.11 0.00 3.00 3.12 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 46 A 8.51 4.36 1.25 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 0.00 0.00 0.00 47 E 8.87 3.84 0.00 1.63 1.63 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 0.00 2.34 2.19 0.00 48 A 7.89 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.01 4.74 0.00 2.87 2.84 0.00 0.00 6.78 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.77 4.70 0.00 1.96 1.90 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 2.47 2.33 0.00 51 S 8.44 4.68 0.00 3.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.28 4.40 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.21 0.91 0.00 0.00 53 S 9.62 3.59 0.00 3.98 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 54 G 8.33 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 55 R 7.80 4.20 0.00 2.05 1.86 0.00 3.11 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 56 I 8.07 4.22 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.42 0.92 0.00 0.00 57 H 8.79 3.98 0.00 3.15 3.25 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.64 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 0.00 0.00 0.00