NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2816 7.8827 121.0517 60.9587 40.1411 173.4416 2 V 4.6349 8.6625 127.1190 60.9964 33.6525 172.5902 3 C 5.3597 9.9075 125.8026 55.1614 45.0685 172.8072 4 H 4.9572 9.2244 118.7660 56.2451 29.1278 175.0398 5 T 4.7745 8.6843 116.1219 60.5844 68.8191 173.4848 6 T 4.4931 8.5244 117.0076 61.7948 69.5705 176.3600 7 A 4.0759 8.3469 126.1895 54.2262 18.6765 177.7870 8 T 4.5918 7.0242 103.9690 59.7248 71.3192 173.9457 9 S 4.3867 8.1960 115.6471 55.7391 64.2669 171.8452 10 P 4.5602 0.0000 0.0000 61.7920 32.1381 175.8368 11 I 4.0411 8.1094 119.6486 62.1260 37.5870 175.7974 12 S 4.7939 8.5266 118.2438 57.0663 67.0492 171.8800 13 A 5.3020 8.5718 120.7430 50.3546 20.8204 176.6825 14 V 4.5128 8.8091 120.5975 60.0762 35.3492 174.6843 15 T 4.7117 8.3535 118.8829 62.8289 69.1072 175.6683 16 C 4.6185 8.9664 124.8704 55.9319 41.7202 172.2987 17 P 4.5147 0.0000 0.0000 61.5706 31.6847 174.3760 18 P 4.5332 0.0000 0.0000 64.4774 31.5627 176.5874 19 G 3.9229 9.1167 109.8404 45.1391 0.0000 173.2328 20 E 4.4998 7.7448 118.8497 55.2312 28.6299 174.8002 21 N 4.9658 8.4986 119.3794 52.5703 39.5324 174.7364 22 L 5.1519 7.8526 117.5488 53.2765 46.2057 174.9481 23 C 5.5534 9.2868 118.7475 55.6480 41.7553 172.5404 24 Y 5.5795 8.4590 117.9817 55.6218 41.8685 173.8599 25 R 5.0414 9.5803 120.8229 54.5724 33.5665 173.6046 26 K 5.3364 9.7099 127.7626 55.0550 35.3628 174.5716 27 M 5.8434 9.7144 126.2119 52.5868 36.4979 174.2308 28 W 5.3270 7.8971 117.2613 55.8249 31.7345 173.7362 29 C 4.9672 9.0491 118.8240 56.5125 35.6873 173.0701 30 D 5.2612 8.2662 122.7547 51.5632 41.7705 176.2439 31 V 3.4886 8.4616 116.8993 65.2044 31.3462 176.6169 32 F 4.6632 8.7135 118.0899 57.4383 39.1063 176.3529 33 C 4.6331 8.5395 123.4986 59.0367 43.4926 176.1275 34 S 4.0641 8.2395 112.8837 60.5822 62.7245 174.9225 35 S 4.5592 8.1473 113.6281 59.1490 64.0819 174.9588 36 R 4.2020 8.4612 117.8605 55.2920 30.8225 177.0088 37 G 3.8247 8.0774 106.4862 44.0349 0.0000 172.7195 38 K 4.3347 8.0696 117.1183 55.8435 33.0520 177.8152 39 V 3.4632 8.4835 123.2720 62.9045 32.6720 174.9089 40 V 4.6920 7.8601 125.6060 60.9307 34.0560 174.0648 41 E 4.8109 9.3070 128.5735 54.3723 33.0493 174.2984 42 L 4.8061 8.5717 125.7947 53.3076 45.9258 176.2525 43 G 4.0707 7.0234 108.0565 46.4796 0.0000 171.4693 44 C 5.6238 8.9353 117.2367 55.9517 37.3454 173.2195 45 A 4.7107 8.6010 119.9349 51.6498 22.1552 177.2735 46 A 4.2989 8.8098 123.0831 53.6727 20.0392 178.2060 47 T 4.6377 7.4518 110.4656 61.3380 71.3927 174.7308 48 C 4.2880 8.7910 123.3431 56.3844 40.7396 172.0512 49 P 4.2259 0.0000 0.0000 62.5820 31.3686 176.4696 50 S 4.0517 8.5488 118.9179 58.6308 63.2706 174.1664 51 K 4.0286 8.4954 125.2481 56.1120 32.2516 175.8734 52 K 4.4370 8.3479 127.7829 54.2315 33.7789 174.9515 53 P 3.8468 0.0000 0.0000 65.6453 31.3975 178.1910 54 Y 4.9024 7.3184 113.8975 57.2659 38.4174 175.2936 55 E 5.0625 8.1166 118.9535 54.7838 33.5668 174.0732 56 E 4.8575 9.6622 125.3894 54.6820 32.2848 175.1837 57 V 5.0453 8.3768 122.7102 61.5341 34.9614 174.4608 58 T 4.9176 9.3600 124.1456 61.8101 72.0883 170.4836 59 C 5.7156 8.8990 119.8871 53.8850 42.2861 171.9260 60 C 5.1805 9.2914 116.2337 53.6025 45.6605 174.0639 61 S 4.8503 8.6197 111.0157 57.9505 63.2113 173.6380 62 T 4.6680 7.6189 109.8546 59.8280 71.1896 172.8460 63 D 4.5735 8.7502 122.2197 56.5224 41.3921 176.8890 64 K 3.7412 9.2879 123.1681 57.5292 30.2500 174.1804 65 C 4.5843 7.9848 111.9307 56.2117 42.7391 173.2393 66 N 4.9093 7.6945 118.0443 51.3849 36.5572 172.0560 67 P 4.1831 0.0000 0.0000 62.8048 33.1139 176.0536 68 H 4.2548 8.2919 118.3778 55.2857 30.3735 174.1761 69 P 4.3984 0.0000 0.0000 65.8060 31.2079 177.3153 70 K 4.3548 8.2255 114.3604 56.5660 32.1707 176.2663 71 Q 4.6492 8.2794 118.1069 53.7477 32.3298 175.2047 72 R 4.3519 8.2160 116.4109 54.6809 30.8826 174.7125 73 P 4.5143 0.0000 0.0000 63.2177 32.2110 176.9328 74 G 4.0299 8.5121 108.3040 45.9527 0.0000 173.5201 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 I 7.88 4.28 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 1.23 1.72 0.93 0.00 0.00 2 V 8.66 4.63 2.05 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 0.84 0.00 0.00 0.92 0.00 0.00 3 C 9.91 5.36 0.00 2.80 2.84 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 4 H 9.22 4.96 0.00 3.24 3.17 0.00 5.60 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 5 T 8.68 4.77 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 1.28 0.00 0.00 6 T 8.52 4.49 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 1.24 0.00 0.00 7 A 8.35 4.08 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 8 T 7.02 4.59 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 9 S 8.20 4.39 0.00 3.77 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 10 P 0.00 4.56 0.00 2.20 2.04 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 11 I 8.11 4.04 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.94 0.00 0.00 12 S 8.53 4.79 0.00 3.88 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 13 A 8.57 5.30 1.15 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 0.00 0.00 14 V 8.81 4.51 2.07 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 0.94 0.00 0.00 0.93 0.00 0.00 15 T 8.35 4.71 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 16 C 8.97 4.62 0.00 2.94 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 17 P 0.00 4.51 0.00 2.19 1.98 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 18 P 0.00 4.53 0.00 2.18 2.06 0.00 3.75 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 1.99 1.97 0.00 19 G 9.12 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 0.00 0.00 0.00 20 E 7.74 4.50 0.00 2.18 1.96 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 2.37 2.27 0.00 21 N 8.50 4.97 0.00 2.70 2.81 0.00 0.00 6.95 7.85 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 22 L 7.85 5.15 0.00 1.78 1.56 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.29 5.55 0.00 2.83 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 24 Y 8.46 5.58 0.00 3.14 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 25 R 9.58 5.04 0.00 1.81 1.81 0.00 2.99 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 26 K 9.71 5.34 0.00 2.14 2.06 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.77 1.55 7.81 27 M 9.71 5.84 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 28 W 7.90 5.33 0.00 3.43 3.32 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 29 C 9.05 4.97 0.00 2.99 3.12 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 0.00 0.00 0.00 0.00 30 D 8.27 5.26 0.00 2.92 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 31 V 8.46 3.49 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.58 0.00 0.00 32 F 8.71 4.66 0.00 3.23 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 33 C 8.54 4.63 0.00 3.21 3.12 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 0.00 0.00 0.00 0.00 34 S 8.24 4.06 0.00 4.03 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 35 S 8.15 4.56 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 36 R 8.46 4.20 0.00 1.80 1.96 0.00 2.94 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 37 G 8.08 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 38 K 8.07 4.33 0.00 1.59 1.82 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 39 V 8.48 3.46 0.67 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 0.09 0.00 0.00 0.63 0.00 0.00 40 V 7.86 4.69 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 0.67 0.00 0.00 0.77 0.00 0.00 41 E 9.31 4.81 0.00 2.29 2.20 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 2.49 2.44 0.00 42 L 8.57 4.81 0.00 1.47 1.44 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.02 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 0.00 0.00 0.00 44 C 8.94 5.62 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 45 A 8.60 4.71 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 46 A 8.81 4.30 1.31 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 0.00 0.00 47 T 7.45 4.64 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 48 C 8.79 4.29 0.00 2.95 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 49 P 0.00 4.23 0.00 1.86 1.77 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.68 0.00 50 S 8.55 4.05 0.00 3.80 3.78 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 0.00 0.00 0.00 0.00 51 K 8.50 4.03 0.00 1.68 1.71 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.44 7.81 52 K 8.35 4.44 0.00 1.79 1.58 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.46 7.81 53 P 0.00 3.85 0.00 1.56 1.49 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 54 Y 7.32 4.90 0.00 3.02 2.98 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 0.00 0.00 0.00 0.00 55 E 8.12 5.06 0.00 2.05 1.79 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 2.38 2.28 0.00 56 E 9.66 4.86 0.00 1.97 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 2.29 2.31 0.00 57 V 8.38 5.05 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 0.86 0.00 0.00 0.97 0.00 0.00 58 T 9.36 4.92 4.30 0.00 0.00 0.00 0.00 0.00 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 59 C 8.90 5.72 0.00 2.98 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 60 C 9.29 5.18 0.00 2.99 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 61 S 8.62 4.85 0.00 3.96 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 62 T 7.62 4.67 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 63 D 8.75 4.57 0.00 2.67 2.66 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 0.00 0.00 0.00 64 K 9.29 3.74 0.00 1.86 1.76 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.26 7.81 65 C 7.98 4.58 0.00 3.05 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.69 4.91 0.00 2.78 2.87 0.00 0.00 6.13 7.75 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 67 P 0.00 4.18 0.00 2.25 2.03 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 68 H 8.29 4.25 0.00 3.12 3.10 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.10 2.13 0.00 3.26 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 70 K 8.23 4.35 0.00 1.50 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.31 7.81 71 Q 8.28 4.65 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 72 R 8.22 4.35 0.00 1.91 1.92 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 73 P 0.00 4.51 0.00 2.07 2.04 0.00 3.68 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 2.03 2.08 0.00 74 G 8.51 4.03 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 0.00 0.00 0.00