NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1430 8.0249 121.4507 61.2170 39.0677 176.4169 6 N 4.6665 7.9436 113.5050 52.1807 38.9366 173.1584 7 A 4.1831 7.7151 122.2718 51.0022 20.0271 176.2668 8 P 4.3882 0.0000 0.0000 62.6120 32.0472 176.2131 9 V 4.2363 8.1908 119.3959 60.3911 32.3418 175.1099 10 T 4.6021 8.4113 121.7800 61.7765 70.1938 174.6526 11 C 4.9931 8.5596 122.2472 55.2349 44.2992 173.7099 12 C 5.0083 8.2607 118.2493 55.6128 41.8051 173.7407 13 Y 4.1501 8.4848 120.0627 57.8038 39.4619 174.9066 14 N 4.8904 7.7515 116.1463 51.6379 42.4353 172.8105 15 F 5.4520 8.2618 119.7874 55.4316 41.8022 175.5888 16 T 4.0649 9.1450 119.6308 63.0804 67.5422 173.4769 17 N 4.9464 8.7764 122.8423 52.9557 39.3563 174.6232 18 R 4.4773 7.5132 118.1137 53.7816 32.9051 174.7307 19 K 2.0000 7.8263 124.4284 55.1062 32.5976 176.2643 20 I 3.9006 6.5444 127.4252 59.9666 38.0527 175.9137 21 S 4.0204 8.5278 121.1038 59.0168 63.4113 176.0190 22 V 3.5424 8.4282 117.8984 64.2008 31.5378 178.4405 23 Q 4.1309 7.9286 117.7924 58.3766 28.8776 177.0671 24 R 4.2681 8.1780 115.7163 56.4806 30.6937 175.6947 25 L 4.8874 7.3009 117.3930 53.4713 43.1245 175.4670 26 A 4.6983 9.1870 125.7913 53.4898 20.4365 176.6364 27 S 4.8572 7.7567 107.3549 57.9500 66.8106 171.4686 28 Y 5.4738 7.9548 116.2292 56.2355 40.7613 173.9598 29 R 4.6685 8.8245 115.7037 54.6728 33.5583 173.9787 30 R 4.9453 8.5525 118.5859 55.1815 32.1009 175.8714 31 I 4.4845 8.6110 124.7392 60.2253 38.4737 176.3753 32 T 4.5264 8.5098 115.1381 60.6909 70.3181 174.2421 33 S 4.1570 7.9430 118.0081 58.7476 62.7365 174.6191 34 S 4.4253 8.5005 120.1087 59.6098 63.2743 175.2968 35 K 4.1221 7.9276 120.7516 58.7285 32.0901 176.5720 36 C 4.7127 7.4758 116.1596 54.5752 41.5115 172.1455 37 P 4.1819 0.0000 0.0000 65.5355 31.0292 176.1249 38 K 4.5002 7.1858 115.0132 55.1805 35.0910 174.6496 39 E 4.4586 8.5628 119.0989 56.6836 30.0428 176.3431 40 A 4.7704 8.9680 124.1765 50.6002 23.8187 174.6411 41 V 4.5270 8.2581 118.5637 61.0670 34.5547 174.5818 42 I 4.8949 8.5630 128.5708 59.5802 39.3644 175.0351 43 F 5.1032 8.9398 126.7946 57.0114 40.6944 174.7258 44 K 5.3000 9.3258 123.7997 54.9558 34.7981 175.9625 45 T 4.9252 8.9801 118.4481 60.5125 70.9563 175.1787 46 I 4.0510 8.9620 113.6101 61.6424 37.6009 176.6802 47 V 4.1919 7.5052 120.2304 62.2735 31.9121 174.8070 48 A 3.7770 8.1934 118.7496 52.8159 16.6479 177.8659 49 K 4.3866 8.0621 120.2927 57.5224 33.7706 175.3776 50 E 5.2829 8.7851 125.7759 54.7703 31.7618 175.2995 51 I 4.7054 8.6738 125.0084 59.4482 40.9649 174.3082 52 C 5.1937 9.0615 124.8326 57.0484 40.2822 172.5794 53 A 5.0492 9.2214 124.9331 49.7857 22.9680 174.8640 54 D 3.3700 8.0122 120.1496 52.8705 41.1694 175.5037 55 P 4.0356 0.0000 0.0000 64.9803 31.4610 177.8362 56 K 4.0825 7.7696 116.2967 57.7814 32.5976 177.8098 57 Q 4.1842 7.6102 119.7306 54.8909 30.3316 176.6964 58 K 3.9001 8.6508 125.3299 59.3602 32.3344 179.0773 59 W 4.2279 8.1440 116.6072 59.4270 28.0700 178.3416 60 V 2.6996 6.4943 118.4155 65.5859 31.0014 177.7715 61 Q 3.8488 7.7508 117.6349 59.1436 28.5297 178.7779 62 D 4.4025 8.4073 120.1313 57.4950 40.7639 179.0909 63 S 4.1976 8.2079 115.7466 61.6989 62.7622 176.6175 64 M 3.8832 8.0717 121.4937 58.3684 31.4703 178.4115 65 D 4.4018 8.1292 119.0415 57.6328 41.0443 178.4084 66 H 4.1186 8.4108 118.5712 59.4450 29.7124 177.4319 67 L 4.1876 8.1509 119.4892 57.8212 41.5067 178.8947 68 D 4.5871 8.6275 118.8013 56.7203 40.8245 177.3503 69 K 4.1776 8.0748 120.2925 58.1353 32.3317 177.2281 70 Q 4.1604 6.8380 125.3743 55.7073 27.9575 178.6318 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 5 I 8.02 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.91 0.00 0.00 6 N 7.94 4.67 0.00 2.76 2.80 0.00 0.00 6.86 6.46 0.00 0.00 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 A 7.72 4.18 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 8 P 0.00 4.39 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 V 8.19 4.24 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 0.81 0.00 0.00 0.95 0.00 0.00 10 T 8.41 4.60 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 1.23 0.00 0.00 11 C 8.56 4.99 0.00 2.72 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 0.00 0.00 0.00 0.00 12 C 8.26 5.01 0.00 2.86 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 13 Y 8.48 4.15 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.89 0.00 2.60 2.64 0.00 0.00 6.82 7.02 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 15 F 8.26 5.45 0.00 3.08 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 16 T 9.15 4.06 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 17 N 8.78 4.95 0.00 2.78 2.86 0.00 0.00 6.68 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 18 R 7.51 4.48 0.00 1.64 1.64 0.00 3.20 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 19 K 7.83 2.00 0.00 1.02 1.17 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.65 0.39 7.81 20 I 6.54 3.90 1.76 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.86 0.00 0.00 21 S 8.53 4.02 0.00 3.81 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 22 V 8.43 3.54 1.76 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 0.69 0.00 0.00 0.80 0.00 0.00 23 Q 7.93 4.13 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 24 R 8.18 4.27 0.00 1.92 1.95 0.00 3.07 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 25 L 7.30 4.89 0.00 1.71 1.66 0.57 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.19 4.70 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 27 S 7.76 4.86 0.00 3.79 3.97 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 28 Y 7.95 5.47 0.00 2.68 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 29 R 8.82 4.67 0.00 1.81 1.90 0.00 2.73 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 30 R 8.55 4.95 0.00 1.72 1.87 0.00 3.20 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 31 I 8.61 4.48 1.85 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 1.27 1.23 0.92 0.00 0.00 32 T 8.51 4.53 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 1.19 0.00 0.00 33 S 7.94 4.16 0.00 3.86 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 34 S 8.50 4.43 0.00 4.01 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 35 K 7.93 4.12 0.00 1.79 1.93 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.41 7.81 36 C 7.48 4.71 0.00 2.93 2.81 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 37 P 0.00 4.18 0.00 2.10 2.20 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 38 K 7.19 4.50 0.00 1.88 1.79 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.54 7.81 39 E 8.56 4.46 0.00 1.87 1.90 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 2.30 2.31 0.00 40 A 8.97 4.77 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 41 V 8.26 4.53 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.54 0.00 0.00 42 I 8.56 4.89 1.87 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 1.25 0.68 0.96 0.00 0.00 43 F 8.94 5.10 0.00 3.21 3.01 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 0.00 0.00 0.00 44 K 9.33 5.30 0.00 1.84 1.71 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 45 T 8.98 4.93 4.36 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 1.31 0.00 0.00 46 I 8.96 4.05 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 1.30 0.61 0.95 0.00 0.00 47 V 7.51 4.19 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 0.86 0.00 0.00 0.94 0.00 0.00 48 A 8.19 3.78 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 49 K 8.06 4.39 0.00 1.90 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.46 7.81 50 E 8.79 5.28 0.00 1.92 1.90 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 2.27 2.35 0.00 51 I 8.67 4.71 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 1.10 0.00 0.00 52 C 9.06 5.19 0.00 3.12 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 53 A 9.22 5.05 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.01 3.37 0.00 2.16 2.24 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 55 P 0.00 4.04 0.00 1.91 1.90 0.00 3.32 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 56 K 7.77 4.08 0.00 1.78 1.80 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.32 7.81 57 Q 7.61 4.18 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 58 K 8.65 3.90 0.00 1.82 1.85 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.51 7.81 59 W 8.14 4.23 0.00 3.52 3.28 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 60 V 6.49 2.70 1.75 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 0.65 0.00 0.00 -0.45 0.00 0.00 61 Q 7.75 3.85 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 62 D 8.41 4.40 0.00 2.94 2.76 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 63 S 8.21 4.20 0.00 3.90 3.70 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 64 M 8.07 3.88 0.00 1.50 1.96 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.14 0.00 65 D 8.13 4.40 0.00 2.93 2.74 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 66 H 8.41 4.12 0.00 3.35 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.15 4.19 0.00 2.14 1.96 1.33 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.63 4.59 0.00 2.87 2.79 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 69 K 8.07 4.18 0.00 1.63 1.62 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 70 Q 6.84 4.16 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00