NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9404 8.3549 109.7364 45.1999 0.0000 173.1370 2 S 4.0084 8.8305 114.7671 60.6218 62.6748 173.5813 3 S 4.6519 7.9667 112.9163 56.9224 64.2979 172.1071 4 G 3.8759 8.0957 110.7069 46.1283 0.0000 174.6590 5 S 4.5800 7.4601 124.0376 55.8238 63.2766 174.0042 6 S 4.4558 8.2441 120.7932 57.3510 60.8316 172.9543 7 G 4.0407 7.9914 109.0894 45.7478 0.0000 170.2832 8 E 4.6741 7.5299 117.2063 54.0389 32.7106 175.1817 9 S 4.6746 8.3494 116.3788 58.2155 65.7005 172.5600 10 L 4.9803 8.2154 119.3749 53.5953 45.4546 175.8578 11 C 3.9176 8.8809 124.0408 59.4435 32.1789 172.8863 12 P 4.4878 0.0000 0.0000 64.1012 31.3218 176.4057 13 Q 4.2681 7.8375 118.1174 57.1904 31.1549 175.3598 14 H 4.6159 8.1726 112.3317 55.3778 29.9312 174.3133 15 H 4.3207 8.3573 115.5620 57.0794 26.8911 174.1186 16 E 4.8361 7.9334 116.1038 53.8720 33.0580 175.4241 17 A 4.4388 8.7007 123.9832 51.7547 18.9333 177.4393 18 L 4.3528 8.5965 122.9999 55.3354 41.6393 176.8419 19 S 4.6653 8.8725 117.9946 57.7352 65.5040 173.5302 20 L 5.0663 7.4576 119.2568 53.7457 44.6468 175.4689 21 F 4.9904 8.7752 121.5379 57.3632 43.0778 173.0716 22 C 4.2968 8.2155 127.2023 59.8355 32.6258 173.3432 23 Y 4.1098 9.0097 126.3220 60.1048 38.7457 176.8433 24 E 3.9284 8.1792 119.0546 59.7819 29.8285 177.9618 25 D 4.3134 7.8868 118.2299 55.4381 41.2812 176.2654 26 Q 3.5413 7.4797 117.9375 56.8824 27.7874 171.7791 27 E 4.9171 6.6360 113.6389 54.5113 35.0017 175.1022 28 A 4.9031 8.5333 122.0652 51.9457 19.8250 176.9887 29 V 4.6029 8.5016 112.9204 60.1096 37.1182 173.5649 30 C 5.0918 8.2442 114.8165 55.7680 32.6233 174.5910 31 L 3.9411 8.6990 118.9325 58.6704 41.1975 179.3582 32 I 3.6708 7.8141 118.8408 64.1313 36.9965 177.8825 33 C 3.7148 7.7003 116.4021 63.0792 27.9894 176.1605 34 A 3.9953 7.4463 120.9956 54.7170 18.2712 179.8129 35 I 4.4352 7.8285 110.1675 60.4647 39.1408 175.1442 36 S 4.8285 7.7643 114.2010 57.1717 65.3807 173.9714 37 H 4.1363 8.8159 119.1459 59.0123 28.1036 176.8034 38 T 3.7411 7.2724 115.4911 66.1858 68.5409 175.7827 39 H 4.5700 7.4270 117.3296 55.2522 29.4161 176.3816 40 R 3.9077 7.6043 120.9840 59.0643 30.4297 178.2751 41 A 4.7029 7.6004 119.2690 52.5293 19.5578 176.1981 42 H 5.0046 7.9362 116.2063 55.5464 31.6737 175.7492 43 T 4.3239 8.1378 118.6256 62.9149 68.1750 173.2104 44 V 4.5891 8.0989 125.6641 61.7118 33.1604 175.1879 45 V 4.7744 9.0812 120.5128 58.6120 35.4320 173.3886 46 P 4.6852 0.0000 0.0000 62.6093 32.1903 175.8434 47 L 4.7255 8.7491 122.1082 55.1747 42.0868 176.6676 48 S 4.8537 8.2339 113.7697 56.7422 65.7295 173.8491 49 G 4.2542 8.0493 109.9109 43.0363 0.0000 171.8996 50 P 4.7047 0.0000 0.0000 63.4604 31.1909 177.5502 51 S 4.1130 7.1363 113.4169 60.9240 62.2459 174.9103 52 S 4.0220 7.6106 115.5756 60.5782 62.5381 174.7247 53 G 3.7421 7.7571 111.6343 45.6270 0.0000 172.1905 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 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.01 0.00 3.95 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 3 S 7.97 4.65 0.00 3.82 3.74 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 4 G 8.10 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 5 S 7.46 4.58 0.00 3.83 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 8.24 4.46 0.00 3.86 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 7 G 7.99 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 8 E 7.53 4.67 0.00 2.04 1.88 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 2.18 2.28 0.00 9 S 8.35 4.67 0.00 3.83 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 10 L 8.22 4.98 0.00 1.53 1.47 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.88 3.92 0.00 3.08 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 12 P 0.00 4.49 0.00 2.19 2.15 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 13 Q 7.84 4.27 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.90 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 14 H 8.17 4.62 0.00 3.16 3.34 0.00 6.10 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.36 4.32 0.00 3.23 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.93 4.84 0.00 1.88 1.83 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 2.54 2.24 0.00 17 A 8.70 4.44 1.26 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 0.00 0.00 0.00 18 L 8.60 4.35 0.00 1.58 1.69 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.87 4.67 0.00 3.87 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 20 L 7.46 5.07 0.00 1.49 1.61 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.78 4.99 0.00 3.08 2.96 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 22 C 8.22 4.30 0.00 2.76 2.39 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 23 Y 9.01 4.11 0.00 3.30 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 3.93 0.00 1.89 1.80 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 2.19 2.38 0.00 25 D 7.89 4.31 0.00 2.58 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 26 Q 7.48 3.54 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.17 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 27 E 6.64 4.92 0.00 1.84 1.71 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 2.37 2.37 0.00 28 A 8.53 4.90 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 29 V 8.50 4.60 1.98 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 0.60 0.00 0.00 0.90 0.00 0.00 30 C 8.24 5.09 0.00 3.05 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 31 L 8.70 3.94 0.00 1.59 1.78 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.81 3.67 1.32 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 1.52 0.87 0.85 0.00 0.00 33 C 7.70 3.71 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 34 A 7.45 4.00 1.37 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 0.00 0.00 0.00 35 I 7.83 4.44 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 1.67 0.72 0.90 0.00 0.00 36 S 7.76 4.83 0.00 3.91 3.74 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 37 H 8.82 4.14 0.00 3.28 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.27 3.74 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 0.87 0.00 0.00 39 H 7.43 4.57 0.00 3.21 3.25 0.00 5.70 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.60 3.91 0.00 1.98 1.92 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 41 A 7.60 4.70 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 42 H 7.94 5.00 0.00 3.29 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.14 4.32 4.28 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 1.10 0.00 0.00 44 V 8.10 4.59 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 0.80 0.00 0.00 0.93 0.00 0.00 45 V 9.08 4.77 2.18 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 0.97 0.00 0.00 1.28 0.00 0.00 46 P 0.00 4.69 0.00 2.09 2.07 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 47 L 8.75 4.73 0.00 1.64 1.71 1.05 0.64 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 48 S 8.23 4.85 0.00 3.84 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 49 G 8.05 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.70 0.00 2.19 2.18 0.00 3.37 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 51 S 7.14 4.11 0.00 3.90 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 52 S 7.61 4.02 0.00 3.86 3.81 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 53 G 7.76 3.74 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 0.00 0.00 0.00