NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2273 8.3149 120.1222 56.5632 33.0855 175.3370 2 R 3.6770 7.6711 117.8357 55.3004 31.2562 174.9421 3 A 3.8137 7.7807 120.9426 54.3288 18.6677 177.2904 4 G 3.8699 8.7379 111.3933 46.1879 0.0000 172.6842 5 T 3.6065 7.3605 117.4854 63.5648 68.3143 173.7413 6 V 4.5606 7.7567 119.6015 58.9823 34.5772 175.2096 7 C 4.6037 9.0263 124.2454 59.7481 31.7111 174.5881 8 S 4.1962 9.7378 125.6153 61.8898 62.7872 175.9208 9 N 4.5364 8.3001 116.6036 55.8733 38.5250 175.6158 10 C 4.7260 7.7123 109.2517 57.0021 30.4668 174.7418 11 Q 3.6687 9.4628 117.6545 56.7789 27.2962 173.9000 12 T 4.0352 7.5832 113.6104 62.2934 67.7900 174.4863 13 S 5.0424 8.6825 120.4163 58.2289 64.2252 173.6689 14 T 4.5358 7.5984 112.4247 60.1876 69.6544 174.1138 15 T 4.3845 7.7231 115.5075 59.8014 71.6682 173.9964 16 T 3.9564 8.2434 113.9784 64.1009 69.4132 174.8080 17 L 4.6519 7.1736 123.2344 52.7731 45.6653 175.0956 18 W 4.4760 8.9209 126.3441 56.5973 30.2568 176.0396 19 R 4.7458 9.1866 123.4865 54.5877 33.1190 174.6623 20 R 4.8886 8.3646 119.6578 54.7816 32.5648 174.8903 21 S 4.6252 8.2783 119.3797 56.5167 63.8737 173.1261 22 P 4.0943 0.0000 0.0000 65.3677 31.1656 177.3146 23 M 4.1924 7.9878 115.6091 55.4392 32.5343 176.8215 24 G 3.8036 8.8322 107.4726 45.4689 0.0000 172.6436 25 D 4.7525 7.8414 119.8773 51.6522 42.3066 174.2900 26 P 4.6669 0.0000 0.0000 63.6130 32.4005 175.9745 27 V 4.8596 8.7437 115.8755 59.6437 36.6602 174.9310 28 C 4.2138 8.5749 116.7663 57.1805 30.5951 173.9125 29 N 4.1468 8.0782 119.2910 57.1271 38.1459 177.1169 30 A 3.9979 7.7601 121.2028 55.4458 18.6276 179.0443 31 C 4.2376 8.1862 114.8144 62.9717 28.1555 176.3902 32 G 3.8357 8.1897 107.0867 47.9753 0.0000 175.7277 33 L 4.0271 7.6781 121.2330 57.5002 41.6797 178.8963 34 Y 3.9940 8.3372 119.6791 60.8759 38.5354 177.4921 35 Y 3.8931 9.0224 121.1581 60.6112 38.7346 177.9073 36 K 4.0581 8.2489 119.3778 59.6462 32.3778 178.4507 37 L 4.0166 8.0223 118.3742 57.2296 41.6576 178.1686 38 H 4.4292 7.9582 113.2925 53.9276 30.6608 173.7769 39 Q 2.5200 9.1152 120.6897 56.1419 27.8971 173.4181 40 V 4.4233 6.6019 106.4536 59.2369 36.0197 174.9677 41 N 4.9373 8.6936 120.0620 52.2255 38.4069 174.6841 42 R 4.7103 8.1748 116.8700 53.0937 32.7456 173.5766 43 P 4.3685 0.0000 0.0000 63.1998 31.9317 176.6218 44 L 4.3650 8.3738 118.1480 55.6364 41.1034 179.0503 45 T 4.0298 7.5761 109.8830 63.7463 68.7584 174.7859 46 M 4.2053 7.7279 120.3626 56.0787 32.8544 175.9526 47 R 4.3266 7.4055 117.1905 56.0130 31.1582 175.7251 48 K 4.6811 8.0153 118.8127 54.2657 35.2968 175.1994 49 D 4.2354 8.1057 119.4163 57.6503 41.2082 180.2932 50 G 3.8839 7.5749 111.7212 45.2516 0.0000 172.1086 51 I 4.2235 7.8582 119.4117 60.0233 38.3128 176.1975 52 Q 4.2279 8.3001 122.8484 56.0082 29.3874 175.1628 53 T 4.7081 7.9854 113.7658 60.5995 70.8393 172.5619 54 R 4.6527 8.0143 122.8036 54.3866 33.1573 174.2312 55 N 4.3602 8.6153 119.3340 53.2161 38.9710 175.5006 56 R 3.8902 8.5804 122.2796 55.9843 30.4980 176.8521 57 K 4.0509 8.5771 122.3398 56.1746 32.6734 176.3100 58 V 3.7129 8.3024 117.4901 62.1539 31.2090 178.0533 59 S 4.5597 8.4054 115.9507 57.6980 62.1421 174.4624 60 S 4.1140 8.7956 116.3068 60.0046 62.7676 172.7462 61 K 4.4410 8.0893 125.8285 55.5442 34.7148 176.0613 62 G 3.6788 9.0923 105.5203 47.1521 0.0000 179.1908 63 K 4.3236 7.4163 115.7516 56.3249 34.6340 177.8174 64 K 4.3021 7.4390 127.1880 55.9020 34.5606 176.0025 65 R 3.9451 9.1206 119.1591 56.6341 29.0472 176.1498 66 R 4.1707 8.6123 112.0182 56.6158 28.7924 174.0660 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 K 8.31 4.23 0.00 1.65 1.74 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.42 7.81 2 R 7.67 3.68 0.00 2.01 2.00 0.00 3.61 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 3 A 7.78 3.81 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.74 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.36 3.61 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 6 V 7.76 4.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 7 C 9.03 4.60 0.00 3.23 3.10 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 0.00 0.00 0.00 8 S 9.74 4.20 0.00 3.81 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 9 N 8.30 4.54 0.00 2.74 2.94 0.00 0.00 6.62 7.01 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 10 C 7.71 4.73 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 11 Q 9.46 3.67 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 12 T 7.58 4.04 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 1.14 0.00 0.00 13 S 8.68 5.04 0.00 4.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.54 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 15 T 7.72 4.38 3.42 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 0.00 0.00 0.00 -0.27 0.00 0.00 16 T 8.24 3.96 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 17 L 7.17 4.65 0.00 1.69 1.45 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.92 4.48 0.00 3.26 3.11 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 0.00 0.00 0.00 0.00 19 R 9.19 4.75 0.00 1.77 1.89 0.00 3.26 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 20 R 8.36 4.89 0.00 1.78 1.78 0.00 3.27 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 21 S 8.28 4.63 0.00 4.13 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 2.10 2.15 0.00 3.66 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 2.08 2.18 0.00 23 M 7.99 4.19 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 24 G 8.83 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 0.00 0.00 0.00 25 D 7.84 4.75 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 1.99 1.86 0.00 3.50 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 2.02 2.04 0.00 27 V 8.74 4.86 2.12 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 0.91 0.00 0.00 1.02 0.00 0.00 28 C 8.57 4.21 0.00 2.72 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 29 N 8.08 4.15 0.00 2.87 2.77 0.00 0.00 7.35 8.03 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 30 A 7.76 4.00 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 31 C 8.19 4.24 0.00 3.02 3.09 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 32 G 8.19 3.84 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 0.00 0.00 0.00 33 L 7.68 4.03 0.00 1.79 1.77 1.00 0.76 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 34 Y 8.34 3.99 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.02 3.89 0.00 3.30 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 36 K 8.25 4.06 0.00 1.94 2.02 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 37 L 8.02 4.02 0.00 1.61 1.44 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.96 4.43 0.00 2.34 3.01 0.00 5.80 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 39 Q 9.12 2.52 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 40 V 6.60 4.42 2.09 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 0.76 0.00 0.00 0.98 0.00 0.00 41 N 8.69 4.94 0.00 2.93 2.98 0.00 0.00 5.92 7.70 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 42 R 8.17 4.71 0.00 1.67 1.69 0.00 2.21 0.00 0.00 2.66 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.35 0.00 43 P 0.00 4.37 0.00 2.21 2.21 0.00 3.64 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 2.04 1.98 0.00 44 L 8.37 4.36 0.00 1.76 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.58 4.03 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 1.19 0.00 0.00 46 M 7.73 4.21 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 47 R 7.41 4.33 0.00 1.99 1.81 0.00 3.13 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 48 K 8.02 4.68 0.00 1.66 1.64 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.39 7.81 49 D 8.11 4.24 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.57 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 0.00 0.00 0.00 51 I 7.86 4.22 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.85 0.00 0.00 52 Q 8.30 4.23 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 53 T 7.99 4.71 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 54 R 8.01 4.65 0.00 1.72 1.71 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 55 N 8.62 4.36 0.00 2.75 2.75 0.00 0.00 6.96 7.66 0.00 0.00 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 8.58 3.89 0.00 1.79 1.89 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 57 K 8.58 4.05 0.00 1.86 1.87 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 58 V 8.30 3.71 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 0.78 0.00 0.00 0.96 0.00 0.00 59 S 8.41 4.56 0.00 4.00 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 60 S 8.80 4.11 0.00 3.86 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 61 K 8.09 4.44 0.00 1.95 1.64 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 62 G 9.09 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 0.00 0.00 0.00 63 K 7.42 4.32 0.00 1.77 1.94 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.48 7.81 64 K 7.44 4.30 0.00 1.65 1.44 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.36 7.81 65 R 9.12 3.95 0.00 1.99 1.08 0.00 3.33 0.00 0.00 3.28 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 66 R 8.61 4.17 0.00 1.90 1.81 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00