NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5975 8.0232 122.2891 52.2688 20.6473 175.6262 2 Y 4.7816 8.6391 116.7805 55.0805 40.1458 170.1267 3 V 4.5658 9.6684 121.3717 60.1888 35.6383 174.2731 4 I 4.7057 8.4486 124.7031 60.1776 38.1905 175.6677 5 N 4.7463 8.9614 126.5554 51.4446 38.7159 175.5424 6 D 4.5013 8.5639 116.9453 56.1210 39.2870 177.9482 7 S 4.1672 8.4911 116.0208 60.9540 62.9865 174.3591 8 C 3.7937 7.5293 119.8535 60.2843 31.3491 173.2804 9 I 4.2570 8.4059 118.4093 59.6719 37.5912 175.0123 10 A 3.7245 7.9932 121.4303 53.6052 15.9893 178.9553 11 C 4.0962 7.9291 116.3050 60.5655 30.0250 174.9554 12 G 3.6765 7.6652 107.1090 44.6573 0.0000 174.6651 13 A 3.9094 7.5984 122.7523 55.1235 18.9031 179.5414 14 C 4.2562 7.9131 111.1615 61.0244 29.5751 175.7086 15 K 3.8963 7.5754 121.9772 59.1576 31.6457 176.8574 16 P 4.4120 0.0000 0.0000 64.3885 31.4799 177.4374 17 E 4.4418 7.7417 116.1175 56.0445 30.0374 175.7407 18 C 4.2829 7.5336 121.5041 57.8477 31.5798 172.2499 19 P 4.2853 0.0000 0.0000 65.2123 30.8710 177.4206 20 V 4.1286 7.6652 109.1170 59.9354 32.6268 174.8771 21 N 4.1295 7.7597 117.7938 55.3838 37.4918 173.6174 22 C 4.8694 7.6775 108.1468 58.1110 31.7795 174.2816 23 I 4.9422 7.8315 119.5471 60.3595 38.8240 174.9309 24 Q 4.7720 9.0562 125.9728 53.6938 31.7130 175.0502 25 E 2.5400 8.4599 121.0034 56.0277 30.7704 176.2238 26 G 3.8419 7.5826 110.9996 45.9752 0.0000 173.5251 27 S 4.3442 9.0590 115.3503 60.3458 62.1407 170.9925 28 I 4.8278 7.3559 111.9999 58.5413 40.0094 174.7505 29 Y 4.4225 8.8650 120.1749 58.3878 38.8476 175.1506 30 A 4.8156 9.1531 122.5788 50.4716 22.9945 175.1751 31 I 4.6063 8.3667 121.5761 60.1143 39.1735 175.8819 32 D 4.4993 9.2730 126.8004 52.8052 40.1753 176.2233 33 A 4.0687 8.7018 130.5438 55.4099 18.4511 179.4291 34 D 4.5533 7.9360 114.0068 56.5977 40.9387 177.3552 35 S 4.5869 7.7722 113.2641 58.4350 64.1660 174.1309 36 C 4.1800 7.6179 120.6740 59.5842 31.4900 172.9164 37 I 4.2728 8.3905 119.3272 59.9949 37.2192 174.9038 38 D 4.5201 7.9847 119.2158 55.8804 38.5931 175.3145 39 C 4.0997 7.9063 114.4322 58.9498 30.5462 175.2637 40 G 3.6013 7.5655 107.5911 45.8986 0.0000 175.2262 41 S 4.0964 7.4108 116.4361 61.6147 62.7446 176.3677 42 C 4.0899 7.8385 116.4268 61.3257 29.2491 175.6550 43 A 4.0678 7.8363 121.8998 54.7761 18.0788 179.0100 44 S 4.1759 7.8708 110.7815 61.4165 62.6289 176.1997 45 V 4.0375 7.3645 111.8333 61.0742 32.2411 176.0468 46 C 4.2066 7.5405 120.9132 58.4827 31.6798 172.5049 47 P 4.4421 0.0000 0.0000 64.8051 31.2336 177.2342 48 V 4.2688 7.5767 110.1581 60.1104 32.5175 175.2463 49 G 3.9584 7.6886 106.2569 46.6262 0.0000 175.5581 50 A 4.3709 8.0257 122.7663 54.0129 19.9222 177.1110 51 P 5.0477 0.0000 0.0000 62.5723 32.0971 176.0622 52 N 4.9669 9.2600 121.1932 50.5167 43.6080 172.2253 53 P 3.6882 0.0000 0.0000 62.3002 31.8647 176.1598 54 E 3.9833 8.8017 125.3303 56.7363 30.4855 176.6511 55 D 4.4895 8.4578 123.0989 54.5517 41.1363 176.5358 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 A 8.02 4.60 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 2 Y 8.64 4.78 0.00 2.87 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 3 V 9.67 4.57 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 0.74 0.00 0.00 0.95 0.00 0.00 4 I 8.45 4.71 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 1.00 0.00 0.00 5 N 8.96 4.75 0.00 2.93 2.98 0.00 0.00 6.30 8.01 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 6 D 8.56 4.50 0.00 2.81 2.87 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 0.00 0.00 0.00 7 S 8.49 4.17 0.00 4.04 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 8 C 7.53 3.79 0.00 2.98 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 9 I 8.41 4.26 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 10 A 7.99 3.72 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.93 4.10 0.00 3.02 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 12 G 7.67 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 13 A 7.60 3.91 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 14 C 7.91 4.26 0.00 3.15 3.15 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 15 K 7.58 3.90 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.71 7.81 16 P 0.00 4.41 0.00 2.06 2.10 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 17 E 7.74 4.44 0.00 2.10 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 2.29 2.42 0.00 18 C 7.53 4.28 0.00 2.90 2.82 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 19 P 0.00 4.29 0.00 2.19 2.16 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 20 V 7.67 4.13 2.08 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 0.72 0.00 0.00 0.96 0.00 0.00 21 N 7.76 4.13 0.00 2.81 2.80 0.00 0.00 6.92 7.61 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 22 C 7.68 4.87 0.00 3.01 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 23 I 7.83 4.94 1.95 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 1.40 0.67 1.13 0.00 0.00 24 Q 9.06 4.77 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 25 E 8.46 2.54 0.00 1.50 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 2.08 2.13 0.00 26 G 7.58 3.84 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 0.00 0.00 0.00 27 S 9.06 4.34 0.00 3.64 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 28 I 7.36 4.83 1.94 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 1.45 1.19 0.95 0.00 0.00 29 Y 8.86 4.42 0.00 2.82 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 30 A 9.15 4.82 1.18 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 31 I 8.37 4.61 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.96 0.00 0.00 32 D 9.27 4.50 0.00 2.63 2.59 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 33 A 8.70 4.07 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 34 D 7.94 4.55 0.00 2.78 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 35 S 7.77 4.59 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.62 4.18 0.00 3.01 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 37 I 8.39 4.27 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.95 0.00 0.00 38 D 7.98 4.52 0.00 2.93 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 39 C 7.91 4.10 0.00 3.04 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 40 G 7.57 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.10 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.84 4.09 0.00 3.13 3.14 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 43 A 7.84 4.07 1.57 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 44 S 7.87 4.18 0.00 3.88 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 45 V 7.36 4.04 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 0.75 0.00 0.00 0.98 0.00 0.00 46 C 7.54 4.21 0.00 3.06 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 47 P 0.00 4.44 0.00 2.20 2.14 0.00 3.70 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 1.95 1.94 0.00 48 V 7.58 4.27 2.08 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 0.74 0.00 0.00 0.99 0.00 0.00 49 G 7.69 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 0.00 0.00 0.00 50 A 8.03 4.37 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.05 0.00 2.12 2.15 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 52 N 9.26 4.97 0.00 2.55 2.49 0.00 0.00 6.57 8.59 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 53 P 0.00 3.69 0.00 1.69 1.69 0.00 3.42 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.32 0.00 54 E 8.80 3.98 0.00 2.22 1.84 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 2.31 2.31 0.00 55 D 8.46 4.49 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00