NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3284 8.1744 110.9411 61.9349 70.0514 172.4057 4 T 4.4494 7.9720 116.5692 60.3300 70.7171 171.4365 5 T 4.2992 9.1549 122.9072 62.7188 69.9873 173.9600 6 M 4.4384 8.4919 126.9005 53.3723 33.2581 176.4967 7 G 3.8160 8.5045 113.3532 45.2308 0.0000 173.0004 8 V 4.2711 7.9000 120.0462 59.2313 33.8346 175.3442 9 K 4.1515 8.7169 124.5591 55.9848 31.8403 176.3229 10 L 4.7111 8.1986 123.9654 52.1968 44.9186 177.2250 11 D 4.7147 8.4006 123.3539 52.5561 42.1057 177.2434 12 D 4.3209 8.4863 118.6117 57.4021 40.7303 178.6696 13 A 4.0172 8.0168 120.7835 55.6662 18.3263 179.7343 14 T 3.8380 8.1152 113.8847 66.8077 68.5562 177.2730 15 R 3.9444 8.1109 120.0114 59.3522 30.0623 179.0259 16 E 4.0405 8.3532 118.4260 59.2751 29.4157 179.4385 17 R 3.9594 8.2247 118.3577 59.3196 30.0155 179.1992 18 I 3.7486 7.9655 119.5792 64.3311 37.1532 178.6589 19 K 3.9848 8.1397 119.3710 59.3935 31.7547 179.4600 20 S 4.0379 8.2452 113.1760 61.3765 62.2577 176.1048 21 A 3.9936 8.2344 123.3688 54.9371 18.0969 179.2137 22 A 3.9965 8.3257 119.6767 55.7669 18.5627 179.9319 23 T 3.8121 7.8354 114.1342 66.7431 68.4492 176.5301 24 R 4.3007 7.6456 114.4215 57.1167 29.8828 177.2607 25 I 4.1755 7.1902 112.9344 59.6958 38.6249 174.4350 26 D 4.2738 7.8665 117.9394 55.6334 39.6712 172.6928 27 R 4.4787 7.8239 115.1388 53.4640 34.7668 176.1049 28 T 4.3238 8.1307 109.5222 60.7997 71.3437 173.6557 29 P 4.3077 0.0000 0.0000 66.2586 31.3353 178.3491 30 H 4.1442 8.3114 116.3031 59.1070 29.7971 176.8079 31 W 4.0648 8.3084 130.1152 60.4149 30.5010 177.6221 32 L 4.2141 8.3280 120.2231 58.2701 41.5834 178.9870 33 I 3.6148 7.6298 119.2540 64.2598 37.0852 178.3392 34 K 3.6601 7.7744 119.1688 59.6061 31.8512 178.9680 35 Q 3.7910 7.7777 119.4804 59.1343 28.7956 178.0658 36 A 3.9752 8.3176 122.0127 55.4130 18.3013 179.7699 37 I 3.5328 7.4799 117.9318 64.5959 37.1804 178.7482 38 F 4.2095 8.0135 118.5661 60.7174 38.6759 178.0241 39 S 4.2275 8.5196 115.1446 61.6382 62.5435 176.1148 40 Y 4.0272 8.1663 122.4448 60.5401 38.5169 177.7177 41 L 3.9642 8.2342 120.1387 57.6106 41.7678 179.0547 42 E 3.9139 8.2256 119.2641 59.4041 29.3868 178.7721 43 Q 3.9232 7.8731 116.7186 59.0287 28.8346 178.8131 44 L 3.9906 7.6039 118.6317 57.8225 41.8204 179.0987 45 E 4.2147 8.2302 118.5739 58.6566 29.5881 177.8804 46 N 4.6722 7.8426 124.0502 54.6174 37.9296 180.0807 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 3 T 8.17 4.33 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 4 T 7.97 4.45 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 1.21 0.00 0.00 5 T 9.15 4.30 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 1.22 0.00 0.00 6 M 8.49 4.44 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 7 G 8.50 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 0.00 0.00 0.00 8 V 7.90 4.27 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 0.78 0.00 0.00 0.89 0.00 0.00 9 K 8.72 4.15 0.00 1.75 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.39 7.81 10 L 8.20 4.71 0.00 1.57 1.52 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.40 4.71 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.32 0.00 2.71 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 13 A 8.02 4.02 1.32 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 0.00 0.00 14 T 8.12 3.84 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 1.20 0.00 0.00 15 R 8.11 3.94 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 16 E 8.35 4.04 0.00 2.11 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 17 R 8.22 3.96 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 18 I 7.97 3.75 2.05 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 1.53 0.88 0.95 0.00 0.00 19 K 8.14 3.98 0.00 2.04 1.87 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 20 S 8.25 4.04 0.00 3.93 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.23 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.00 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 0.00 0.00 0.00 0.00 0.00 23 T 7.84 3.81 4.41 0.00 0.00 0.00 0.00 0.00 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 24 R 7.65 4.30 0.00 1.92 2.04 0.00 3.03 0.00 0.00 3.28 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 25 I 7.19 4.18 1.80 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.55 0.98 0.00 0.00 26 D 7.87 4.27 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.48 0.00 1.54 1.37 0.00 2.21 0.00 0.00 2.57 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 28 T 8.13 4.32 4.33 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 1.25 0.00 0.00 29 P 0.00 4.31 0.00 2.23 2.21 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 30 H 8.31 4.14 0.00 3.23 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.31 4.06 0.00 3.53 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.21 0.00 2.06 1.98 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.63 3.61 1.94 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 1.50 0.54 0.83 0.00 0.00 34 K 7.77 3.66 0.00 1.72 1.79 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.27 7.81 35 Q 7.78 3.79 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 36 A 8.32 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.48 3.53 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.55 0.00 0.00 38 F 8.01 4.21 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.52 4.23 0.00 3.93 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 40 Y 8.17 4.03 0.00 3.20 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 0.00 41 L 8.23 3.96 0.00 1.91 1.72 0.79 0.66 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 42 E 8.23 3.91 0.00 2.18 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 2.31 2.23 0.00 43 Q 7.87 3.92 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 44 L 7.60 3.99 0.00 1.65 1.64 0.94 0.83 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 45 E 8.23 4.21 0.00 1.99 1.99 0.00 0.00 0.00 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 2.36 0.00 46 N 7.84 4.67 0.00 2.86 2.58 0.00 0.00 6.83 7.43 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