NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9563 8.3549 109.7362 46.0395 0.0000 174.3936 2 S 4.4026 8.8954 115.9205 57.8830 64.2709 172.2530 3 S 4.5030 9.2180 110.0759 58.4575 65.2931 175.2014 4 G 4.6728 7.3276 118.2645 43.6923 0.0000 172.0969 5 S 4.4752 6.8769 111.4058 56.4583 65.1984 175.9283 6 S 4.1689 8.9185 119.9149 58.0856 63.2250 174.0418 7 G 3.9802 8.5087 113.6112 43.8864 0.0000 170.7155 8 K 4.3830 8.5118 122.4996 57.4911 34.4829 177.9132 9 R 4.0458 7.8061 115.9696 55.3331 30.4822 174.6605 10 P 4.5450 0.0000 0.0000 62.0864 32.3863 176.6351 11 R 4.0173 8.7546 117.6186 59.6737 29.8608 177.5359 12 T 3.9606 7.4533 105.6807 62.0751 69.1542 172.8083 13 R 4.4343 7.8939 118.7689 55.6532 32.9180 174.2410 14 I 4.0704 8.3163 125.9846 60.9762 38.4338 175.8898 15 T 4.4679 7.9297 117.8038 60.5521 70.7052 175.2911 16 D 4.5637 8.4101 122.5552 57.4242 40.5072 178.7574 17 D 4.4081 7.9933 118.1898 56.6922 41.1524 178.0307 18 Q 4.1337 7.6721 118.0728 58.0685 29.2736 177.5065 19 L 3.4900 8.1812 121.8998 58.0908 42.0171 178.8867 20 R 3.9072 7.7126 115.6025 59.8534 28.5201 178.8071 21 V 3.6396 7.5899 118.0217 65.5338 31.2324 177.9069 22 L 3.6323 7.6376 118.4234 56.9841 41.6030 179.3543 23 R 4.2261 7.5245 117.6715 59.4185 30.3573 178.4035 24 Q 4.1181 8.4212 118.2557 59.7778 28.7591 179.4081 25 Y 4.0838 8.1450 116.9505 60.6781 37.6271 177.9915 26 F 4.6768 8.5118 121.3498 61.8381 39.4995 176.4297 27 D 4.4593 7.7316 114.8316 57.5262 41.1252 177.6706 28 I 3.8821 7.7375 118.5363 62.8178 37.4382 175.6167 29 N 4.8482 8.1622 115.9823 51.9861 41.2413 173.4533 30 N 3.5461 8.0140 122.2069 55.8080 39.3148 174.2518 31 S 4.6073 7.5584 115.4696 55.6408 65.8553 172.7281 32 P 4.2932 0.0000 0.0000 62.6620 32.0531 176.3322 33 S 4.5984 8.2167 113.5841 57.0622 63.6873 174.8685 34 E 4.1462 8.6963 125.6736 59.7110 29.1562 179.7423 35 E 4.3237 8.0885 118.0611 59.0326 29.7120 178.9892 36 Q 4.0202 7.8165 117.6085 59.0420 29.0008 178.3061 37 I 3.6582 8.2312 121.1582 64.0808 36.6996 178.4143 38 K 3.8988 7.5309 120.1205 59.3317 32.2975 178.5379 39 E 3.9610 8.0194 117.8465 59.8126 29.1241 179.1764 40 M 3.8553 8.4313 119.4548 58.1475 32.3135 178.3056 41 A 4.5614 7.6496 122.1784 54.6121 18.0913 178.8333 42 D 4.3736 7.4939 114.7456 56.5805 41.8203 178.2187 43 K 4.0463 7.6155 117.8711 59.0504 32.1058 178.4947 44 S 4.5024 7.9879 113.1319 60.0817 64.0716 175.1640 45 G 4.0438 7.5002 106.7886 44.8685 0.0000 173.6798 46 L 4.3247 7.9013 120.6591 53.0035 42.7258 174.9322 47 P 4.7372 0.0000 0.0000 62.7012 33.5434 177.0912 48 Q 4.1303 8.4989 115.6976 57.8929 28.7304 178.5520 49 K 4.0856 7.9246 120.0441 59.5562 33.0076 179.2983 50 V 3.6098 7.6741 118.9127 65.7617 31.6316 177.8167 51 I 3.7909 7.5397 119.5839 64.4111 37.0774 178.1816 52 K 4.0433 7.8827 119.2462 60.0786 31.9884 178.4801 53 H 4.1247 8.2932 117.8398 59.2188 29.7375 176.5473 54 W 4.2218 8.5942 130.1377 60.9793 30.4690 177.7592 55 F 4.0283 8.9715 117.3084 60.7974 38.3456 177.4944 56 R 3.9998 8.0320 117.9688 59.2378 28.4520 177.7009 57 N 4.2037 8.4561 117.2137 57.0033 38.6580 177.0225 58 T 3.5053 7.5035 116.7478 65.9283 68.6760 176.5046 59 L 4.0991 7.9790 122.4184 58.5056 41.9397 178.4999 60 F 3.7847 8.5467 119.3330 61.4851 39.3624 177.1490 61 K 4.1794 7.6422 116.4580 59.7716 31.7317 179.1451 62 E 3.9715 7.7605 116.8846 59.5671 29.4091 179.5164 63 R 3.9813 7.8181 117.4347 57.5673 30.3754 177.1428 64 Q 3.9545 7.2864 116.5409 56.5884 28.7988 177.2533 65 S 4.3851 8.4163 113.1411 56.6239 63.5400 172.9701 66 G 4.1884 8.2625 116.0058 42.5433 0.0000 170.0692 67 P 4.4485 0.0000 0.0000 62.3354 32.1879 175.3651 68 S 4.7187 8.3280 113.7645 56.4395 64.2038 173.8790 69 S 4.3394 8.7522 121.7808 59.1371 64.6742 174.1246 70 G 3.6855 9.0780 113.6099 45.2472 0.0000 172.8273 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 8.35 3.96 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 0.00 0.00 0.00 2 S 8.90 4.40 0.00 3.93 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 3 S 9.22 4.50 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.33 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.88 4.48 0.00 3.92 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 6 S 8.92 4.17 0.00 3.99 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 7 G 8.51 3.98 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 0.00 0.00 0.00 8 K 8.51 4.38 0.00 1.68 1.80 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.46 7.81 9 R 7.81 4.05 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 10 P 0.00 4.55 0.00 2.17 2.07 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 11 R 8.75 4.02 0.00 1.81 2.07 0.00 3.25 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 12 T 7.45 3.96 4.24 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 1.20 0.00 0.00 13 R 7.89 4.43 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 14 I 8.32 4.07 1.86 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 1.24 0.68 0.77 0.00 0.00 15 T 7.93 4.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 16 D 8.41 4.56 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.41 0.00 2.60 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 18 Q 7.67 4.13 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 19 L 8.18 3.49 0.00 1.65 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.71 3.91 0.00 2.11 2.26 0.00 2.82 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 1.74 1.63 0.00 21 V 7.59 3.64 2.13 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 1.00 0.00 0.00 0.98 0.00 0.00 22 L 7.64 3.63 0.00 0.27 0.14 -0.38 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.52 4.23 0.00 1.99 2.07 0.00 3.41 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 24 Q 8.42 4.12 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 25 Y 8.15 4.08 0.00 3.20 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.68 0.00 3.40 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.73 4.46 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.88 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.86 0.00 0.00 29 N 8.16 4.85 0.00 2.56 2.66 0.00 0.00 7.34 7.31 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 30 N 8.01 3.55 0.00 2.70 2.69 0.00 0.00 6.69 7.45 0.00 0.00 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 S 7.56 4.61 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 1.97 1.72 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.00 33 S 8.22 4.60 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.15 0.00 2.04 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 2.41 2.44 0.00 35 E 8.09 4.32 0.00 2.03 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 2.31 2.49 0.00 36 Q 7.82 4.02 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 37 I 8.23 3.66 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.92 0.00 0.00 38 K 7.53 3.90 0.00 2.08 1.89 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 39 E 8.02 3.96 0.00 2.29 2.37 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 2.45 2.38 0.00 40 M 8.43 3.86 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 41 A 7.65 4.56 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.49 4.37 0.00 2.66 2.68 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 43 K 7.62 4.05 0.00 1.87 1.85 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.29 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.64 7.81 44 S 7.99 4.50 0.00 3.96 3.88 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 45 G 7.50 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 0.00 0.00 0.00 46 L 7.90 4.32 0.00 1.69 1.55 0.78 0.92 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 47 P 0.00 4.74 0.00 2.27 2.21 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 48 Q 8.50 4.13 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 49 K 7.92 4.09 0.00 2.01 2.08 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.50 7.81 50 V 7.67 3.61 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 1.16 0.00 0.00 0.94 0.00 0.00 51 I 7.54 3.79 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 1.17 0.00 0.00 52 K 7.88 4.04 0.00 1.96 1.98 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.61 7.81 53 H 8.29 4.12 0.00 3.36 3.68 0.00 5.81 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 54 W 8.59 4.22 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 55 F 8.97 4.03 0.00 3.55 3.32 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 0.00 0.00 0.00 0.00 56 R 8.03 4.00 0.00 2.03 2.10 0.00 3.45 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 57 N 8.46 4.20 0.00 2.49 2.54 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.50 3.51 3.04 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 0.38 0.00 0.00 59 L 7.98 4.10 0.00 2.12 1.95 1.07 1.02 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 60 F 8.55 3.78 0.00 3.19 3.03 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 0.00 0.00 0.00 61 K 7.64 4.18 0.00 1.97 1.82 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.56 7.81 62 E 7.76 3.97 0.00 2.17 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 0.00 2.37 2.69 0.00 63 R 7.82 3.98 0.00 1.71 1.77 0.00 3.26 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 64 Q 7.29 3.95 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 65 S 8.42 4.39 0.00 3.77 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 66 G 8.26 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.45 0.00 2.19 2.07 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 68 S 8.33 4.72 0.00 3.82 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 69 S 8.75 4.34 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.08 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00