NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5572 8.1133 121.1239 56.1804 32.2335 173.7996 2 K 4.9853 9.0550 122.2654 54.4288 35.9457 173.4626 3 C 5.3517 9.8030 122.3881 54.7241 44.8783 173.4847 4 L 4.6507 8.7997 121.9300 55.3919 41.3787 177.0939 5 I 4.5670 9.0126 121.2593 61.4870 40.2925 176.2602 6 K 4.7750 7.9150 119.7455 54.8644 36.5470 175.1833 7 Y 5.1961 8.4268 124.6052 56.8240 41.4886 173.7081 8 S 4.2599 8.6226 120.8599 56.3890 66.3780 174.4780 9 Q 3.8360 8.2858 117.5669 58.0165 28.4993 177.3076 10 A 4.3337 7.0556 119.0682 53.3930 19.7668 177.0910 11 N 4.8411 7.5074 110.6446 52.4213 43.0457 173.1866 12 E 5.2530 8.2313 118.2873 55.7136 32.7693 174.4189 13 S 4.9050 9.0139 116.4214 57.1794 67.5008 173.3347 14 S 5.2304 8.5909 117.1614 57.1389 66.5876 172.6635 15 K 4.7265 8.9301 118.0658 55.5734 36.1842 175.4604 16 T 4.5711 8.3906 118.5728 63.7014 68.9602 175.3902 17 C 4.6850 9.1041 124.9618 55.8878 35.7548 172.0648 18 P 4.4891 0.0000 0.0000 61.9694 31.8596 175.5665 19 S 4.1330 8.3422 113.6378 60.1238 62.5084 173.9436 20 G 3.9165 9.1113 115.4896 45.1910 0.0000 173.1099 21 Q 4.4582 7.4201 117.9987 54.8904 28.1094 175.2333 22 L 4.6374 8.3757 121.5222 54.1405 43.1608 176.4774 23 L 4.9773 7.6065 119.5494 53.1550 44.9020 174.7574 24 C 5.3299 9.4395 119.4727 55.2809 44.1948 172.5273 25 L 5.3723 8.9506 124.1236 53.1437 44.9162 174.9458 26 K 5.2632 9.2140 126.6820 54.6403 35.6034 174.6437 27 K 5.2680 9.2932 127.4471 55.0321 36.3024 174.6070 28 W 5.6872 8.8054 122.3019 55.8524 32.1404 172.8127 29 E 5.0511 8.8907 119.2876 54.9592 30.9784 176.0167 30 I 4.1380 9.5114 124.5965 60.8046 38.5337 176.1176 31 G 3.9508 8.4569 112.9951 46.4709 0.0000 173.0995 32 N 4.7738 7.9890 116.1033 51.0729 40.1511 172.5531 33 P 4.4233 0.0000 0.0000 66.0270 31.6504 177.9306 34 S 4.1495 7.9322 113.0922 59.4006 62.9041 173.2695 35 G 4.1759 6.7875 105.5541 42.8272 0.0000 173.2198 36 K 4.3590 8.2136 119.8376 55.4665 32.4934 176.3428 37 E 4.4255 8.4804 124.9632 54.1216 29.3960 175.0619 38 V 4.1155 8.1602 123.3090 62.6019 32.3438 174.6284 39 K 4.7282 9.4723 130.4486 54.8949 34.3224 175.1539 40 R 5.1685 8.3839 124.7486 54.6039 33.9687 175.6977 41 G 3.9526 8.2032 108.5158 46.5511 0.0000 171.5148 42 C 5.2010 8.7489 116.9910 55.9518 38.2274 173.4269 43 V 4.5965 8.1351 114.1606 59.6969 35.5188 176.5160 44 A 4.0442 8.6600 126.1018 54.9217 18.5852 178.2007 45 T 4.5673 7.2813 102.7523 59.7522 71.7915 174.1584 46 C 4.3457 8.6365 123.5927 55.3703 43.3554 171.6238 47 P 4.3774 0.0000 0.0000 62.3613 31.4051 176.2873 48 K 4.1042 8.1275 119.9791 55.7198 33.4690 175.1402 49 P 4.3094 0.0000 0.0000 62.4441 32.2397 176.1089 50 W 4.8152 8.6748 120.7863 55.2634 30.6210 177.6430 51 K 3.8851 8.8805 118.6953 60.0011 31.0111 177.9473 52 N 4.7851 8.1554 112.7461 53.0585 39.1392 174.2523 53 E 4.4230 8.1380 118.7037 55.7736 31.0467 175.9354 54 I 4.0226 8.3513 124.3209 59.5788 39.1662 174.5347 55 I 4.5730 8.0069 127.9757 59.4330 39.0538 174.7836 56 Q 4.6178 9.0640 128.3945 54.4340 31.6177 173.3958 57 C 5.7672 8.8532 123.1952 55.4976 42.1104 171.9792 58 C 5.0258 9.0907 115.3793 53.8631 45.5322 173.5148 59 A 4.9089 8.4002 120.1716 51.8607 19.6180 176.1162 60 K 4.6463 7.7550 117.5286 55.5300 35.7735 175.7013 61 D 4.6497 8.7512 120.9622 56.2924 40.1332 176.8717 62 K 3.8937 9.5013 121.6172 57.3754 30.3488 175.0892 63 C 4.4221 7.9961 115.2730 57.7349 41.9497 173.4566 64 N 4.5345 7.2029 118.8903 52.6655 37.1164 174.9645 65 A 3.5181 7.6511 126.1210 53.4267 18.3431 178.0203 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 R 8.11 4.56 0.00 1.95 1.98 0.00 3.12 0.00 0.00 3.54 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 2 K 9.05 4.99 0.00 1.69 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.48 7.81 3 C 9.80 5.35 0.00 2.83 2.91 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 4 L 8.80 4.65 0.00 1.62 1.64 0.68 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.01 4.57 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.93 0.00 0.00 6 K 7.91 4.78 0.00 1.67 1.64 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 7 Y 8.43 5.20 0.00 2.90 2.78 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 8 S 8.62 4.26 0.00 3.74 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 9 Q 8.29 3.84 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 10 A 7.06 4.33 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 11 N 7.51 4.84 0.00 2.67 2.60 0.00 0.00 6.36 7.54 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 12 E 8.23 5.25 0.00 2.21 1.94 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 2.23 2.40 0.00 13 S 9.01 4.90 0.00 3.78 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 14 S 8.59 5.23 0.00 3.88 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 15 K 8.93 4.73 0.00 1.80 1.89 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.42 7.81 16 T 8.39 4.57 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 17 C 9.10 4.69 0.00 2.90 3.05 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 18 P 0.00 4.49 0.00 2.21 2.19 0.00 3.81 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 2.16 1.95 0.00 19 S 8.34 4.13 0.00 3.85 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 20 G 9.11 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 21 Q 7.42 4.46 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 22 L 8.38 4.64 0.00 1.59 1.65 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.61 4.98 0.00 1.71 1.52 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.44 5.33 0.00 2.81 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 25 L 8.95 5.37 0.00 1.68 1.61 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 K 9.21 5.26 0.00 1.88 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.17 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.59 1.42 7.81 27 K 9.29 5.27 0.00 1.86 1.64 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.32 7.81 28 W 8.81 5.69 0.00 3.43 3.19 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 0.00 0.00 0.00 29 E 8.89 5.05 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 30 I 9.51 4.14 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.95 0.00 0.00 31 G 8.46 3.95 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 0.00 0.00 0.00 32 N 7.99 4.77 0.00 2.74 2.89 0.00 0.00 7.28 7.69 0.00 0.00 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 P 0.00 4.42 0.00 2.23 2.17 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 34 S 7.93 4.15 0.00 3.90 3.98 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 35 G 6.79 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 0.00 0.00 0.00 0.00 36 K 8.21 4.36 0.00 1.92 1.90 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.35 7.81 37 E 8.48 4.43 0.00 2.03 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 2.25 2.30 0.00 38 V 8.16 4.12 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 0.70 0.00 0.00 0.75 0.00 0.00 39 K 9.47 4.73 0.00 1.92 1.71 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.48 7.81 40 R 8.38 5.17 0.00 1.87 1.92 0.00 3.37 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 41 G 8.20 3.95 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 0.00 0.00 0.00 42 C 8.75 5.20 0.00 3.11 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 43 V 8.14 4.60 2.23 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 0.68 0.00 0.00 0.93 0.00 0.00 44 A 8.66 4.04 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 45 T 7.28 4.57 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 1.19 0.00 0.00 46 C 8.64 4.35 0.00 2.92 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 47 P 0.00 4.38 0.00 1.97 1.86 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 48 K 8.13 4.10 0.00 1.79 1.78 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 49 P 0.00 4.31 0.00 2.11 1.95 0.00 3.42 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 1.91 1.99 0.00 50 W 8.67 4.82 0.00 3.49 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 51 K 8.88 3.89 0.00 1.76 1.93 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 52 N 8.16 4.79 0.00 2.78 2.85 0.00 0.00 7.03 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 53 E 8.14 4.42 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 54 I 8.35 4.02 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.62 0.02 0.00 0.00 55 I 8.01 4.57 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.65 0.87 0.00 0.00 56 Q 9.06 4.62 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 57 C 8.85 5.77 0.00 2.82 2.91 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 58 C 9.09 5.03 0.00 2.94 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 59 A 8.40 4.91 1.23 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 0.00 0.00 0.00 60 K 7.76 4.65 0.00 1.72 1.64 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.35 7.81 61 D 8.75 4.65 0.00 2.65 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 62 K 9.50 3.89 0.00 1.90 1.82 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.35 7.81 63 C 8.00 4.42 0.00 3.08 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 64 N 7.20 4.53 0.00 3.02 2.93 0.00 0.00 6.92 7.14 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 65 A 7.65 3.52 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00