NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.3014 8.2549 117.2723 56.3441 29.9072 177.3705 11 T 3.7700 8.3755 110.4980 65.2065 68.6083 174.4340 12 G 3.8960 8.0362 107.7970 46.9888 0.0000 175.0374 13 R 4.0268 7.6355 117.0712 58.8661 29.8399 177.8039 14 F 4.9323 8.4624 117.3643 57.4753 39.1559 176.3969 15 G 3.7535 8.2355 108.5503 46.7038 0.0000 172.8298 16 P 4.7714 0.0000 0.0000 62.4727 31.7899 175.6052 17 R 4.0758 7.5197 117.7489 56.6692 31.6725 177.1127 18 Y 3.9212 8.1483 116.4845 57.3934 36.7973 171.2592 19 G 4.0765 7.7519 103.2389 45.4747 0.0000 173.5300 20 L 3.9146 8.2183 117.9962 58.0621 41.4623 179.6749 21 K 3.7981 8.0819 116.9142 60.1155 32.1543 178.7403 22 I 3.6850 7.8322 119.0021 64.9049 37.1999 178.6082 23 R 4.3267 7.9312 117.3586 58.3707 29.4315 178.9392 24 V 3.5662 8.3020 119.6273 66.1004 31.5005 178.0955 25 R 3.9415 8.1264 117.8174 59.3259 29.7742 179.2823 26 V 3.5312 7.8834 117.7563 65.7373 31.5727 177.9079 27 A 3.9543 8.4907 120.8274 55.4144 18.2766 178.8368 28 D 4.2999 8.5882 117.5463 57.8492 40.8819 179.3648 29 V 3.5364 8.0219 118.3065 66.4555 31.5557 178.1068 30 E 4.1021 8.4697 118.0917 59.1155 29.2705 178.6948 31 I 3.6548 8.3651 119.5199 63.8417 37.8236 177.6188 32 K 3.9003 7.7938 118.6790 60.0517 32.1607 178.0433 33 H 5.4002 8.1756 118.2481 58.7871 29.9015 176.6440 34 K 4.3816 8.3719 116.6914 55.7589 32.4928 176.9410 35 K 3.9902 7.4989 119.1678 56.1889 32.6122 176.1899 36 K 4.2029 8.2229 119.4220 56.4224 32.9656 176.3615 37 H 5.0038 8.4690 119.8892 53.7324 32.0484 173.1599 38 K 4.6299 8.6691 122.7785 55.8932 32.3667 176.5753 39 C 4.2851 8.7497 126.6898 59.2262 31.7468 172.1705 40 P 4.3486 0.0000 0.0000 65.7300 30.9215 177.9012 41 V 3.3954 7.3137 116.5583 65.7426 32.1065 177.5396 42 C 4.5961 7.5775 119.3679 57.7750 31.3370 173.4801 43 G 4.1933 8.6164 106.1516 45.1580 0.0000 172.5325 44 F 4.0360 8.2285 119.7478 56.8605 40.0101 175.8635 45 K 4.9169 7.8977 123.6284 55.1662 29.6102 176.9488 46 K 4.8506 7.6554 119.0727 56.1712 33.9089 176.9322 47 L 5.3091 8.0184 119.0201 53.3875 43.6134 177.0254 48 K 4.9819 9.4627 121.9142 54.6017 37.1307 175.5079 49 R 3.8298 8.5840 122.2090 55.7184 30.5692 176.1956 50 A 4.2324 9.1815 128.3740 53.3030 19.9401 176.6489 51 G 3.6860 6.9917 101.9546 45.5909 0.0000 171.2751 52 T 3.6478 8.5040 116.9268 64.8576 68.0934 174.0607 53 G 4.3894 8.4741 113.8904 46.5300 0.0000 170.8851 54 I 4.9497 7.3367 120.9104 58.9859 39.8010 174.8247 55 W 5.0663 8.9841 125.9215 55.2556 33.3331 174.0813 56 M 5.8343 9.2010 121.1363 53.4381 36.2800 173.1201 57 C 5.2049 8.6793 123.5864 57.9126 32.8087 174.6541 58 G 3.7403 9.6090 116.5941 47.9747 0.0000 173.9760 59 H 4.3763 8.1937 119.8774 58.4433 30.5623 175.3598 60 C 4.3805 8.0551 111.5528 57.1416 30.1211 175.0386 61 G 3.8576 8.4369 107.9613 46.0257 0.0000 173.1500 62 Y 4.1994 7.6078 121.2956 57.9978 39.8014 174.8990 63 K 4.6578 8.3656 129.3288 55.0902 33.3135 175.3761 64 I 4.3069 8.7602 121.7473 59.1884 40.6927 174.3363 65 A 4.7552 8.4653 125.2457 51.0722 19.7840 176.5199 66 G 4.3408 8.0899 111.0984 44.5909 0.0000 171.4657 67 G 4.1215 8.2732 110.0684 45.5859 0.0000 173.7127 68 C 4.2056 8.5796 115.5135 61.5619 28.5396 174.2887 69 Y 4.9799 8.0392 113.4547 57.4130 39.6567 174.7637 70 Q 4.9531 8.2682 118.9982 53.1653 32.9371 174.5304 71 P 2.9700 0.0000 0.0000 63.9862 31.6287 176.1192 72 E 4.8236 7.5514 117.3676 54.1939 32.4381 174.8873 73 T 4.6110 7.9920 112.8273 59.7050 69.6651 175.6924 74 V 3.0703 8.2859 123.7367 66.0807 31.7834 177.7988 75 A 4.5318 7.8256 119.8148 54.2418 18.8144 179.6980 76 G 3.6786 8.8973 105.6088 47.8611 0.0000 176.1573 77 K 4.1332 7.6503 119.3756 59.1267 31.7060 179.2936 78 A 3.7713 7.7304 119.6536 54.6213 17.9445 179.8342 79 V 3.5401 7.1943 115.2434 66.4655 31.7476 177.4469 80 M 4.1234 8.0609 116.7184 58.9955 31.9545 177.6297 81 K 3.8848 7.9510 116.7337 57.1470 32.5434 176.9998 82 A 4.1716 7.1412 129.1636 52.5695 18.0102 177.6857 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 10 R 8.25 4.30 0.00 1.92 1.86 0.00 3.01 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 11 T 8.38 3.77 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 1.32 0.00 0.00 12 G 8.04 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 0.00 0.00 0.00 13 R 7.64 4.03 0.00 1.86 1.96 0.00 2.75 0.00 0.00 3.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.00 14 F 8.46 4.93 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.77 0.00 2.13 2.10 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 17 R 7.52 4.08 0.00 0.67 0.66 0.00 2.92 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 0.00 18 Y 8.15 3.92 0.00 2.99 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 19 G 7.75 4.08 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 0.00 0.00 0.00 20 L 8.22 3.91 0.00 1.71 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.08 3.80 0.00 1.79 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.83 3.68 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.62 0.78 0.00 0.00 23 R 7.93 4.33 0.00 2.26 2.57 0.00 3.26 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.59 0.00 24 V 8.30 3.57 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 1.03 0.00 0.00 0.98 0.00 0.00 25 R 8.13 3.94 0.00 2.03 1.94 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 26 V 7.88 3.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.12 0.00 0.00 27 A 8.49 3.95 1.39 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 0.00 0.00 28 D 8.59 4.30 0.00 2.88 2.75 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 0.00 0.00 0.00 0.00 29 V 8.02 3.54 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 0.78 0.00 0.00 30 E 8.47 4.10 0.00 2.05 2.03 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 2.34 2.42 0.00 31 I 8.37 3.65 1.89 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 1.54 1.37 0.98 0.00 0.00 32 K 7.79 3.90 0.00 2.09 2.01 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 H 8.18 5.40 0.00 3.41 3.62 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.37 4.38 0.00 1.75 1.86 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 35 K 7.50 3.99 0.00 1.84 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.66 7.81 36 K 8.22 4.20 0.00 1.69 1.70 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 H 8.47 5.00 0.00 3.05 3.05 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.67 4.63 0.00 1.64 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.42 7.81 39 C 8.75 4.29 0.00 3.12 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 40 P 0.00 4.35 0.00 2.21 2.13 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 41 V 7.31 3.40 1.81 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 0.66 0.00 0.00 -0.29 0.00 0.00 42 C 7.58 4.60 0.00 3.17 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 43 G 8.62 4.19 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 0.00 0.00 0.00 44 F 8.23 4.04 0.00 2.96 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 45 K 7.90 4.92 0.00 1.51 1.73 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.32 7.81 46 K 7.66 4.85 0.00 1.82 1.85 0.00 1.97 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.73 7.81 47 L 8.02 5.31 0.00 1.74 1.76 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.46 4.98 0.00 1.67 1.68 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 R 8.58 3.83 0.00 0.67 1.34 0.00 2.92 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 50 A 9.18 4.23 1.21 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 0.00 0.00 51 G 6.99 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 52 T 8.50 3.65 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 53 G 8.47 4.39 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 0.00 0.00 0.00 54 I 7.34 4.95 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 0.84 0.00 0.00 55 W 8.98 5.07 0.00 3.13 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 56 M 9.20 5.83 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 57 C 8.68 5.20 0.00 3.21 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 G 9.61 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 59 H 8.19 4.38 0.00 3.10 3.35 0.00 5.91 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 60 C 8.06 4.38 0.00 3.10 3.11 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 0.00 0.00 0.00 0.00 61 G 8.44 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.61 4.20 0.00 3.21 2.97 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 0.00 0.00 0.00 63 K 8.37 4.66 0.00 1.72 1.57 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.36 7.81 64 I 8.76 4.31 1.86 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 0.99 0.73 0.94 0.00 0.00 65 A 8.47 4.76 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 66 G 8.09 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 4.12 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 0.00 0.00 0.00 68 C 8.58 4.21 0.00 2.12 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 0.00 0.00 0.00 0.00 69 Y 8.04 4.98 0.00 3.10 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 70 Q 8.27 4.95 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 71 P 0.00 2.97 0.00 1.54 0.71 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 72 E 7.55 4.82 0.00 1.81 1.78 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 2.08 2.07 0.00 73 T 7.99 4.61 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 1.24 0.00 0.00 74 V 8.29 3.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 75 A 7.83 4.53 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 76 G 8.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 4.13 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.58 7.81 78 A 7.73 3.77 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.19 3.54 2.26 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 0.87 0.00 0.00 1.00 0.00 0.00 80 M 8.06 4.12 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 81 K 7.95 3.88 0.00 1.68 1.68 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 82 A 7.14 4.17 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00