NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1656 8.2993 120.1384 51.5959 34.6422 173.1858 2 S 3.3711 7.9757 122.3193 57.3349 64.5271 171.0541 3 C 4.8212 8.5380 119.3553 55.2126 38.5333 173.8562 4 C 5.3372 8.2843 121.8882 54.1022 46.2552 173.0906 5 P 4.4627 0.0000 0.0000 64.7276 31.4667 176.0858 6 N 5.4500 7.8338 115.5282 52.0108 42.7526 175.0031 7 T 4.0908 8.8695 117.6621 65.6182 66.8543 175.7554 8 T 4.0486 8.1302 111.3988 64.7813 68.4495 176.3526 9 G 4.0969 8.5973 108.4767 47.6613 0.0000 175.7923 10 R 3.9940 8.1049 120.9904 58.9578 29.8636 178.2097 11 N 4.3487 8.7031 116.8453 56.4361 38.5712 177.3987 12 I 3.7717 7.3283 121.4005 64.3735 37.1889 177.9185 13 Y 3.8106 8.2410 120.3996 60.6796 38.5921 177.8199 14 N 4.3933 8.8164 117.6418 56.7286 38.5281 177.3307 15 T 3.7940 8.2579 113.3013 65.1598 67.6574 174.6845 16 C 4.2210 8.6327 120.7609 60.1338 44.7727 175.9517 17 R 3.9086 7.9806 119.1729 59.2715 29.4638 178.9875 18 L 4.2619 8.1277 117.6432 56.4288 41.5246 178.6334 19 G 4.0684 7.7644 104.7460 43.4672 0.0000 173.3585 20 G 3.6944 8.1861 106.7564 45.7095 0.0000 174.9192 21 G 4.0002 7.3989 104.7709 42.7823 0.0000 171.9245 22 S 4.1470 8.6702 120.7367 58.8052 65.0489 176.0309 23 R 3.5921 8.4216 122.4072 59.3315 29.8246 179.3654 24 E 4.0305 8.0437 118.1186 59.1425 29.4389 178.8732 25 R 3.8450 7.9070 118.3367 59.8693 30.0590 179.1577 26 C 4.2170 7.6393 114.7993 59.6169 38.3435 175.6453 27 A 4.2573 7.8280 122.5613 55.6997 17.8044 179.7652 28 S 4.2394 8.1222 109.7095 60.8536 62.4370 175.9042 29 L 4.0843 7.3866 122.9574 58.8061 42.2582 177.9268 30 S 4.5823 9.8688 115.8637 57.0230 62.7545 174.0378 31 G 3.5654 7.6926 118.5600 45.8362 0.0000 173.2622 32 C 4.6615 7.8430 118.3594 56.4941 41.6792 172.5565 33 K 4.5960 9.1791 122.0710 54.9684 33.7254 174.8142 34 I 4.2040 8.3524 128.0730 60.5402 38.6860 175.0755 35 I 4.5155 7.9610 132.4340 60.3373 39.4928 174.6905 36 S 4.4723 8.1050 113.1389 58.8558 65.5430 173.8705 37 A 3.7510 9.3847 123.0242 53.0936 16.1210 177.7372 38 S 4.4639 7.7986 117.0113 59.8204 62.5365 169.9872 39 T 3.7081 7.6976 111.5223 62.9228 67.1760 173.7466 40 C 4.6579 8.4598 125.8430 55.1435 42.3001 174.4958 41 P 4.5439 0.0000 0.0000 61.8670 29.4918 176.5448 42 S 3.7497 8.0098 107.2002 60.6380 63.7414 173.9770 43 D 5.2898 7.1179 127.8595 55.7377 44.4829 177.3665 44 Y 4.9778 6.6637 116.1795 55.0401 37.3804 175.4440 45 P 4.5582 0.0000 0.0000 63.0617 33.1322 177.9140 46 K 4.0686 8.0294 128.0490 57.4801 33.1005 174.6322 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 K 8.30 4.17 0.00 1.74 1.71 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.35 7.81 2 S 7.98 3.37 0.00 3.38 3.59 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 3 C 8.54 4.82 0.00 2.52 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 0.00 0.00 0.00 0.00 4 C 8.28 5.34 0.00 2.85 2.85 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 5 P 0.00 4.46 0.00 2.22 2.08 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 6 N 7.83 5.45 0.00 2.75 2.72 0.00 0.00 7.23 7.06 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 7 T 8.87 4.09 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 1.22 0.00 0.00 8 T 8.13 4.05 4.26 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 1.22 0.00 0.00 9 G 8.60 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.10 3.99 0.00 1.88 1.97 0.00 3.08 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 11 N 8.70 4.35 0.00 3.03 2.87 0.00 0.00 6.88 7.38 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 12 I 7.33 3.77 2.04 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 1.43 0.63 0.93 0.00 0.00 13 Y 8.24 3.81 0.00 3.15 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 14 N 8.82 4.39 0.00 2.93 2.88 0.00 0.00 7.06 7.29 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 15 T 8.26 3.79 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 1.27 0.00 0.00 16 C 8.63 4.22 0.00 2.93 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 3.91 0.00 2.14 1.96 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 18 L 8.13 4.26 0.00 1.77 1.73 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.76 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 20 G 8.19 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.40 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 0.00 0.00 0.00 22 S 8.67 4.15 0.00 3.82 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 23 R 8.42 3.59 0.00 1.93 2.13 0.00 3.29 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 24 E 8.04 4.03 0.00 2.01 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 2.43 2.36 0.00 25 R 7.91 3.85 0.00 1.82 2.01 0.00 3.14 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 1.65 1.70 0.00 26 C 7.64 4.22 0.00 2.46 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.26 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.12 4.24 0.00 3.90 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 29 L 7.39 4.08 0.00 1.81 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.87 4.58 0.00 3.98 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 31 G 7.69 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.84 4.66 0.00 2.60 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 33 K 9.18 4.60 0.00 2.09 1.73 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.46 7.81 34 I 8.35 4.20 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.95 0.00 0.00 35 I 7.96 4.52 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.87 0.00 0.00 36 S 8.11 4.47 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.38 3.75 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.46 0.00 4.10 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 39 T 7.70 3.71 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 1.27 0.00 0.00 40 C 8.46 4.66 0.00 2.90 2.83 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 41 P 0.00 4.54 0.00 2.37 1.95 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.82 0.00 42 S 8.01 3.75 0.00 4.11 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 43 D 7.12 5.29 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 44 Y 6.66 4.98 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.02 2.05 0.00 3.83 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 46 K 8.03 4.07 0.00 1.88 1.61 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.35 7.81