NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8254 8.3544 109.7325 45.3553 0.0000 175.5703 0 D 4.5499 7.5379 120.4235 52.1122 43.3403 172.1914 1 E 4.7378 8.1487 116.5432 55.2391 31.6732 175.9587 2 K 4.5238 7.2473 112.5017 56.3914 34.0551 173.3551 3 R 4.7389 7.6580 119.3965 53.2823 33.7832 176.0722 4 P 4.6329 0.0000 0.0000 62.7686 32.9314 175.3913 5 R 4.8702 8.2051 113.9148 56.4409 29.4496 175.0715 6 T 4.3861 7.1249 110.6938 63.2904 70.3941 174.7927 7 A 3.6253 8.0097 128.2775 53.3708 18.9880 177.8141 8 F 5.1493 6.8844 110.4773 57.1000 40.4795 173.7332 9 S 5.3670 8.6949 122.2435 57.8528 63.9136 174.1423 10 S 4.5276 8.4126 117.1788 59.9824 61.8940 170.2905 11 E 4.1306 8.0466 118.9376 59.3498 28.6452 178.9294 12 Q 4.2566 8.0865 117.4665 58.4714 27.5515 178.2153 13 L 3.9918 7.7978 119.5779 57.5434 41.8018 179.0994 14 A 4.2984 8.6053 121.2337 54.9812 18.2338 179.9161 15 R 3.8868 7.6690 115.3013 59.2350 29.9528 178.8911 16 A 4.0678 7.7714 119.9914 55.1459 18.1861 179.8363 17 K 3.4977 7.5341 116.5390 59.5054 32.4360 179.5420 18 R 3.3273 7.6602 118.2799 59.2917 29.6233 178.5144 19 E 4.0611 8.3945 118.4220 59.3258 29.7751 178.8405 20 F 5.3615 7.6978 115.5836 58.6658 38.0815 177.0701 21 N 3.7551 7.7480 117.8662 56.0719 38.4949 175.3957 22 E 4.9088 7.3444 116.9780 55.4638 30.2283 176.5850 23 N 4.6807 8.9553 117.1916 52.1488 37.8515 176.3288 24 R 4.3263 8.4307 119.8233 58.0560 32.6189 175.2203 25 Y 4.5399 8.0942 114.8824 58.4238 39.4115 177.3877 26 L 3.4404 5.7843 120.9662 58.1480 40.1601 179.1126 27 T 3.0314 7.5624 108.1714 63.8179 68.4400 174.0015 28 E 4.6073 9.1903 120.1401 54.9884 30.9577 175.5238 29 R 4.5126 7.9942 115.5360 57.9872 32.0123 176.9924 30 R 4.5993 7.4064 114.0035 55.4820 31.8548 177.3008 31 R 4.1421 8.9142 120.9920 59.6773 29.9335 178.1684 32 Q 4.1647 8.1314 117.1292 58.9301 28.8424 178.2168 33 Q 4.0514 8.3336 120.1389 59.2086 28.6612 178.2234 34 L 3.8005 7.9757 120.5852 57.4001 41.9813 178.8682 35 S 4.1945 8.8343 113.0961 61.9753 61.9727 177.0176 36 S 4.1455 7.8076 116.5819 61.4403 62.8559 175.6275 37 E 4.1898 7.9151 118.8376 57.4818 29.6084 177.4645 38 L 4.1996 8.6291 118.6657 54.6117 43.4323 176.4137 39 G 3.9877 7.8905 106.5530 45.3029 0.0000 171.7631 40 L 4.4043 7.2161 116.4676 55.5185 43.0161 173.5690 41 N 5.1734 8.3518 114.9819 51.5987 41.9746 174.6816 42 E 3.7677 8.6572 116.7558 59.6225 29.4554 178.9374 43 A 4.2774 7.8828 119.2398 53.3648 18.7377 177.5166 44 Q 4.4106 7.9498 114.1702 55.9860 31.5068 177.8896 45 I 2.0000 7.2128 118.7424 63.2692 36.9484 178.1510 46 K 4.1527 7.3772 117.9637 60.2971 31.8799 178.9555 47 I 3.4875 7.0020 120.6488 64.1478 36.8764 178.0204 48 W 4.2416 7.2126 120.1574 59.7170 28.9035 178.6221 49 F 4.3642 6.5616 117.1428 60.5738 38.2554 177.4741 50 Q 4.1986 8.6585 119.3346 59.0180 28.9556 177.4756 51 N 4.6016 7.8829 117.0075 55.2957 37.6190 177.2612 52 K 4.0887 8.2534 121.1129 59.1003 32.0563 178.9886 53 R 4.2518 8.4831 118.1175 58.7254 28.5929 178.4027 54 A 4.2089 7.6333 120.5768 54.0991 18.9155 179.2980 55 K 3.8008 8.4105 115.0345 57.6595 31.6134 174.3837 56 I 3.1411 8.3331 112.6691 60.7131 33.6538 172.3445 57 R 4.5982 7.9791 117.8197 56.8715 37.7400 176.5487 58 R 3.6194 7.7126 112.2759 57.5077 28.3797 175.7323 59 S 4.2448 7.6530 116.0220 59.2516 62.7145 172.9617 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 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 D 7.54 4.55 0.00 2.67 2.59 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 1 E 8.15 4.74 0.00 1.90 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 0.00 2.19 2.32 0.00 2 K 7.25 4.52 0.00 1.65 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.31 7.81 3 R 7.66 4.74 0.00 1.80 1.81 0.00 3.26 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 4 P 0.00 4.63 0.00 2.28 2.29 0.00 3.72 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 2.28 2.09 0.00 5 R 8.21 4.87 0.00 1.75 1.86 0.00 3.19 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 6 T 7.12 4.39 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 1.21 0.00 0.00 7 A 8.01 3.63 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.88 5.15 0.00 3.11 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 9 S 8.69 5.37 0.00 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 0.00 10 S 8.41 4.53 0.00 3.98 4.21 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 11 E 8.05 4.13 0.00 2.13 2.01 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 0.00 2.41 2.47 0.00 12 Q 8.09 4.26 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 13 L 7.80 3.99 0.00 1.69 1.56 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.61 4.30 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 3.89 0.00 2.13 2.01 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 16 A 7.77 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 3.50 0.00 2.03 1.60 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.68 7.81 18 R 7.66 3.33 0.00 1.85 1.86 0.00 3.08 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 19 E 8.39 4.06 0.00 2.13 2.06 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 2.52 2.50 0.00 20 F 7.70 5.36 0.00 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 3.76 0.00 2.48 2.77 0.00 0.00 6.69 5.55 0.00 0.00 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 E 7.34 4.91 0.00 2.10 2.02 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 2.34 2.38 0.00 23 N 8.96 4.68 0.00 2.71 2.98 0.00 0.00 6.45 5.12 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 24 R 8.43 4.33 0.00 1.99 2.54 0.00 3.35 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 25 Y 8.09 4.54 0.00 3.22 3.21 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 26 L 5.78 3.44 0.00 1.55 1.26 0.77 -0.06 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 27 T 7.56 3.03 4.01 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 0.00 0.00 0.00 1.01 0.00 0.00 28 E 9.19 4.61 0.00 1.69 1.92 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 2.21 2.35 0.00 29 R 7.99 4.51 0.00 2.03 1.91 0.00 3.42 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 30 R 7.41 4.60 0.00 1.90 1.93 0.00 3.34 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 31 R 8.91 4.14 0.00 1.88 2.01 0.00 2.92 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 32 Q 8.13 4.16 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 33 Q 8.33 4.05 0.00 2.36 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 34 L 7.98 3.80 0.00 2.04 1.26 1.25 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.83 4.19 0.00 4.25 4.07 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 36 S 7.81 4.15 0.00 4.17 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 37 E 7.92 4.19 0.00 2.09 1.87 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 2.27 2.44 0.00 38 L 8.63 4.20 0.00 1.77 1.87 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.89 3.99 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 0.00 0.00 0.00 40 L 7.22 4.40 0.00 1.78 1.76 1.20 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.35 5.17 0.00 2.71 2.74 0.00 0.00 6.87 7.67 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 42 E 8.66 3.77 0.00 1.98 1.95 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 2.35 2.28 0.00 43 A 7.88 4.28 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 44 Q 7.95 4.41 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 45 I 7.21 2.00 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.62 0.00 0.00 46 K 7.38 4.15 0.00 2.02 2.07 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.35 7.81 47 I 7.00 3.49 1.77 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 1.49 0.58 1.00 0.00 0.00 48 W 7.21 4.24 0.00 2.40 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.56 4.36 0.00 3.09 3.15 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 0.00 50 Q 8.66 4.20 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 51 N 7.88 4.60 0.00 3.05 2.86 0.00 0.00 6.94 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.25 4.09 0.00 2.06 1.93 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.53 7.81 53 R 8.48 4.25 0.00 2.04 2.04 0.00 3.26 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 54 A 7.63 4.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.80 0.00 2.04 1.89 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 56 I 8.33 3.14 1.88 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 1.31 0.53 0.92 0.00 0.00 57 R 7.98 4.60 0.00 1.90 1.91 0.00 3.45 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 58 R 7.71 3.62 0.00 2.00 2.08 0.00 2.98 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 59 S 7.65 4.24 0.00 3.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00