NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 5.3544 8.3698 121.0746 58.0120 38.5777 174.0760 2 D 4.3697 8.6158 123.5548 51.9132 40.2345 175.3613 3 G 3.8498 8.0550 109.2358 45.9176 0.0000 175.5871 4 T 4.2673 7.2263 107.5516 61.6227 68.5322 174.2530 5 H 4.6236 8.1039 119.8852 54.8055 29.5802 173.3821 6 C 5.2696 8.4154 122.6520 54.5504 41.8890 175.2245 7 K 3.5723 8.4715 126.3229 58.4102 32.0640 176.2103 8 A 4.3908 7.0136 120.6359 51.0627 22.3935 173.5627 9 P 4.4139 0.0000 0.0000 63.6530 31.8029 177.1857 10 G 3.8756 9.0219 109.9636 46.0522 0.0000 173.2670 11 N 4.8727 8.0706 118.0693 51.9130 39.6472 173.5338 12 C 5.3305 8.5755 118.3736 54.2855 42.5112 174.5866 13 W 4.4645 8.3821 130.6910 57.5048 31.1169 174.7523 14 E 3.4390 6.3163 121.7241 53.0171 32.1811 172.9372 15 P 4.1040 0.0000 0.0000 61.8679 32.5430 176.4199 16 K 4.1548 8.2979 119.6544 55.3895 32.7375 174.7212 17 P 4.2910 0.0000 0.0000 64.6427 31.4379 176.9123 18 G 3.9102 9.0693 111.3909 45.2101 0.0000 172.9464 19 F 4.6674 8.0967 119.0761 54.8367 40.3966 174.1836 20 P 4.5069 0.0000 0.0000 62.8206 31.6107 176.2924 21 E 4.3320 8.8454 120.8549 58.5671 29.9305 176.6491 22 K 4.8443 7.8824 115.7939 54.5857 36.4054 175.4849 23 I 4.3593 8.1011 111.8753 61.2463 39.5030 175.7593 24 A 4.3662 7.9565 124.2923 53.6719 18.3674 176.5851 25 G 4.0779 8.9906 112.3428 45.5346 0.0000 174.1262 26 S 4.5784 8.0313 114.5702 56.3224 64.5305 175.1273 27 K 3.8389 8.2670 119.4593 59.2001 32.0229 177.0089 28 Y 4.7275 7.0518 115.2514 57.5874 38.0645 175.0634 29 D 4.4211 8.2127 121.4661 53.9171 41.6366 174.6669 30 P 4.2035 0.0000 0.0000 64.7882 31.9098 176.5546 31 K 3.7060 7.7604 115.8476 57.2488 29.4928 173.6795 32 H 4.6043 7.6301 114.7813 54.5318 30.1988 175.7585 33 D 4.3809 8.7094 123.6982 53.7501 41.6882 174.3451 34 P 4.2477 0.0000 0.0000 67.0119 31.3573 179.3067 35 K 4.5992 7.3795 115.5198 58.8512 32.4178 177.8448 36 E 3.9781 8.1785 117.6788 59.8343 29.3534 179.4207 37 L 3.9578 7.3380 117.4190 57.8212 42.0131 178.6006 38 N 4.7296 7.7562 113.4339 53.4002 38.8301 177.1404 39 K 4.0323 7.8473 121.3763 59.4149 32.0352 179.2383 40 Q 3.9587 7.9723 118.0538 58.7072 28.3853 178.2496 41 V 3.5911 7.8267 119.0994 66.2179 31.5911 177.8135 42 E 3.9868 8.1573 117.1628 59.3594 29.4105 178.8821 43 S 4.0723 8.0688 114.1737 61.2470 62.4051 176.2009 44 R 3.9071 8.2547 121.3157 58.8333 29.7411 178.4392 45 K 4.0166 7.8778 119.6196 59.1750 32.2857 178.7281 46 G 3.7500 7.8693 105.6209 48.2776 0.0000 175.4925 47 E 4.0566 8.4424 121.5198 58.7470 29.4537 179.2273 48 E 4.1088 8.3736 118.8832 58.6662 29.8174 178.2995 49 E 3.8713 8.5468 119.9214 59.6186 29.6985 179.1706 50 R 3.8417 7.7903 117.1984 59.1994 30.0407 178.6637 51 N 4.2985 8.0287 115.5373 56.4538 38.6039 177.1587 52 A 3.9759 7.8743 121.6964 55.1480 18.3773 178.7415 53 N 4.0929 7.9071 115.1880 57.2233 38.8724 176.8090 54 R 3.2757 7.6222 118.6790 59.3413 30.0079 178.9407 55 A 4.2030 8.0531 120.3365 54.8131 18.3911 179.3581 56 E 3.8539 8.8092 118.3271 59.7407 29.7906 178.4114 57 H 3.9812 8.8545 119.0283 59.4097 29.7590 176.9903 58 F 4.8342 8.5647 123.9949 60.2975 38.9246 177.0609 59 K 3.8242 8.2396 119.3829 59.3429 32.1254 178.3338 60 K 3.9888 7.8537 118.5364 59.6306 32.3566 178.3521 61 T 4.2147 7.9049 107.6955 61.3710 69.2258 175.2300 62 G 3.7145 7.4139 109.1832 45.8836 0.0000 173.3803 63 K 4.8403 7.8592 117.6212 54.0075 35.4299 175.3675 64 W 4.6992 9.0787 132.1940 55.9833 30.7700 175.5999 65 V 4.2755 7.6805 126.5400 61.1099 32.0073 174.7104 66 Y 4.1145 8.8738 128.8746 60.6697 39.2215 175.5474 67 D 4.2260 8.1425 120.2997 53.9576 41.5741 176.6938 68 V 3.7203 8.0915 124.7908 63.5313 30.9134 175.3806 69 K 4.4568 7.8602 116.3600 55.5585 32.3318 177.1277 70 K 3.9687 7.7623 123.7494 57.8505 31.8148 174.1729 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 Y 8.37 5.35 0.00 2.69 2.92 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 2 D 8.62 4.37 0.00 2.77 2.64 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 3 G 8.06 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.23 4.27 4.15 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 0.00 0.00 1.16 0.00 0.00 5 H 8.10 4.62 0.00 3.53 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.42 5.27 0.00 2.97 3.20 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 0.00 7 K 8.47 3.57 0.00 1.92 1.91 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.45 7.81 8 A 7.01 4.39 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 9 P 0.00 4.41 0.00 2.07 2.01 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 G 9.02 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 11 N 8.07 4.87 0.00 2.72 2.71 0.00 0.00 6.98 9.00 0.00 0.00 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 C 8.58 5.33 0.00 3.08 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 13 W 8.38 4.46 0.00 3.28 3.24 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 14 E 6.32 3.44 0.00 1.68 1.66 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 0.00 2.09 1.99 0.00 15 P 0.00 4.10 0.00 2.39 2.15 0.00 3.14 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 16 K 8.30 4.15 0.00 1.84 1.86 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.34 7.81 17 P 0.00 4.29 0.00 2.09 2.08 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 18 G 9.07 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 19 F 8.10 4.67 0.00 3.33 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 20 P 0.00 4.51 0.00 2.62 2.19 0.00 4.15 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 21 E 8.85 4.33 0.00 1.99 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 0.00 2.37 2.52 0.00 22 K 7.88 4.84 0.00 1.78 1.67 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.48 7.81 23 I 8.10 4.36 2.00 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 1.32 0.92 0.99 0.00 0.00 24 A 7.96 4.37 1.28 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 0.00 0.00 25 G 8.99 4.08 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 0.00 0.00 0.00 26 S 8.03 4.58 0.00 4.03 4.06 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 27 K 8.27 3.84 0.00 1.62 1.76 0.00 1.07 0.00 0.00 1.39 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.76 0.21 7.81 28 Y 7.05 4.73 0.00 3.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.42 0.00 2.78 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 30 P 0.00 4.20 0.00 1.72 2.04 0.00 3.96 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 31 K 7.76 3.71 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.42 7.81 32 H 7.63 4.60 0.00 3.14 3.21 0.00 5.72 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 33 D 8.71 4.38 0.00 2.75 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 34 P 0.00 4.25 0.00 2.06 2.13 0.00 3.77 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 2.04 2.21 0.00 35 K 7.38 4.60 0.00 2.19 1.79 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.65 7.81 36 E 8.18 3.98 0.00 2.27 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 2.34 2.51 0.00 37 L 7.34 3.96 0.00 1.72 1.76 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.76 4.73 0.00 2.73 2.83 0.00 0.00 6.94 6.68 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 39 K 7.85 4.03 0.00 2.06 1.85 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 40 Q 7.97 3.96 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 V 7.83 3.59 2.25 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 1.09 0.00 0.00 0.93 0.00 0.00 42 E 8.16 3.99 0.00 2.25 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 0.00 2.57 2.31 0.00 43 S 8.07 4.07 0.00 3.96 4.11 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 44 R 8.25 3.91 0.00 1.97 1.91 0.00 3.26 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 45 K 7.88 4.02 0.00 1.87 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 G 7.87 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 0.00 0.00 0.00 47 E 8.44 4.06 0.00 2.23 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 0.00 2.35 2.55 0.00 48 E 8.37 4.11 0.00 2.05 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 2.52 0.00 49 E 8.55 3.87 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 50 R 7.79 3.84 0.00 1.95 1.84 0.00 3.06 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 51 N 8.03 4.30 0.00 2.96 2.97 0.00 0.00 6.92 6.74 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 52 A 7.87 3.98 1.40 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 0.00 0.00 53 N 7.91 4.09 0.00 2.92 2.81 0.00 0.00 7.24 7.19 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 54 R 7.62 3.28 0.00 1.51 0.66 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.42 0.00 55 A 8.05 4.20 1.54 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 0.00 0.00 56 E 8.81 3.85 0.00 2.04 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 0.00 2.29 2.31 0.00 57 H 8.85 3.98 0.00 3.15 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.56 4.83 0.00 3.00 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 59 K 8.24 3.82 0.00 1.99 2.03 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 60 K 7.85 3.99 0.00 1.73 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 61 T 7.90 4.21 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 1.03 0.00 0.00 62 G 7.41 3.71 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 0.00 0.00 0.00 63 K 7.86 4.84 0.00 1.90 1.82 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.55 7.81 64 W 9.08 4.70 0.00 3.06 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 65 V 7.68 4.28 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 66 Y 8.87 4.11 0.00 3.18 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 67 D 8.14 4.23 0.00 2.88 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 68 V 8.09 3.72 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 0.76 0.00 0.00 0.73 0.00 0.00 69 K 7.86 4.46 0.00 1.77 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.49 7.81 70 K 7.76 3.97 0.00 1.78 1.69 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.06 1.16 7.81