NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6501 8.2076 120.5322 54.5842 43.3031 177.4999 2 Y 4.0635 7.9847 117.6892 59.4139 37.7922 176.6811 3 L 3.6903 7.6699 121.8712 57.4305 42.1262 180.4075 4 R 3.8727 7.7717 117.5954 59.3696 30.0290 178.8053 5 E 4.0055 8.0674 118.0835 59.1994 29.4171 179.3645 6 L 4.0501 8.0183 119.3114 57.6202 41.6113 179.1953 7 L 3.9584 8.2063 120.6259 57.9160 42.0044 178.8729 8 K 3.9036 8.2993 119.8210 59.4442 32.0372 178.4677 9 L 3.9916 8.0603 120.5353 58.2094 42.0115 178.8771 10 E 3.9916 8.2986 118.5598 59.4545 29.3905 179.3343 11 L 4.0473 8.3285 119.4362 57.7379 41.4036 179.6552 12 Q 4.1052 8.0943 117.3485 58.9605 29.1408 178.7805 13 G 3.7714 8.3857 106.9784 47.8138 0.0000 175.3976 14 I 3.8337 7.9244 121.2867 63.8151 37.8380 177.5810 15 K 3.8917 7.7191 119.8287 59.8633 31.9666 178.7676 16 Q 3.9693 8.0437 117.6861 59.1053 28.6160 178.2515 17 Y 3.9463 7.9247 117.3414 61.1319 37.7636 178.6393 18 R 4.0279 8.3610 118.5753 58.9661 30.4820 178.3765 19 E 4.3843 8.7155 120.5201 58.7736 29.6652 178.6975 20 A 4.1579 8.1134 120.7639 55.1872 18.2792 178.9956 21 L 4.5358 7.7569 115.9556 55.7003 41.8361 178.7573 22 E 3.9783 8.1569 119.4531 58.4776 29.0618 177.8464 23 Y 4.4781 7.7494 114.6775 58.2523 39.6530 175.4196 24 V 4.6824 7.8826 111.3907 59.5541 35.6099 174.9486 25 K 4.4338 8.1331 119.8049 54.7030 32.3792 176.9523 26 L 4.1094 8.0431 118.4877 54.1711 43.0441 175.5975 27 P 4.2669 0.0000 0.0000 65.5886 31.2218 179.1341 28 V 3.6305 7.7402 117.5022 64.9832 31.3749 178.3980 29 L 4.0292 7.9616 119.1865 57.1982 41.5325 179.1113 30 A 3.9940 8.1568 121.0011 54.9968 18.3369 179.6383 31 K 3.8799 8.2075 118.2206 59.4777 32.2487 179.2363 32 I 3.4932 7.8995 120.4561 64.1323 36.8914 177.9928 33 L 3.6999 7.6884 121.1266 58.1914 41.5015 178.7169 34 E 3.7934 8.0220 119.0563 59.1068 29.4288 178.6631 35 D 4.0920 7.7342 118.9554 57.1822 40.9622 178.3167 36 E 3.6576 8.1504 119.4275 59.4435 29.4360 179.1703 37 E 3.8260 8.1267 118.6006 59.4272 29.5240 179.5034 38 K 3.5357 7.2872 118.0492 59.4971 32.1546 178.4997 39 H 4.0108 7.7172 116.5480 58.9274 28.5524 177.8319 40 I 3.7382 7.5559 121.3449 64.3620 36.8737 178.4017 41 E 4.1145 7.9713 119.4253 59.2261 29.3209 179.3745 42 W 4.4803 8.4668 119.4049 59.9456 29.0999 178.6375 43 L 4.0838 8.2614 118.8725 57.8258 41.0217 179.2448 44 E 4.0051 8.4550 118.6817 59.7868 29.1580 179.6425 45 T 3.8895 7.9567 114.7138 66.6873 68.6219 176.4782 46 I 3.8584 7.6033 120.3491 64.5040 37.2409 178.3019 47 L 4.2003 8.2097 119.0669 57.3374 41.4744 178.0421 48 G 3.8736 8.1530 109.5598 44.9417 0.0000 173.2572 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 D 8.21 4.65 0.00 2.82 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 2 Y 7.98 4.06 0.00 3.35 3.22 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 0.00 3 L 7.67 3.69 0.00 1.34 1.51 0.68 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.77 3.87 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.07 4.01 0.00 2.24 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 2.53 2.53 0.00 6 L 8.02 4.05 0.00 1.86 1.75 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.21 3.96 0.00 1.74 1.79 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.30 3.90 0.00 1.86 1.99 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 9 L 8.06 3.99 0.00 1.84 1.94 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.30 3.99 0.00 2.21 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 2.55 2.53 0.00 11 L 8.33 4.05 0.00 1.80 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.09 4.11 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 13 G 8.39 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.92 3.83 1.99 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 1.43 1.51 1.00 0.00 0.00 15 K 7.72 3.89 0.00 2.01 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 16 Q 8.04 3.97 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 17 Y 7.92 3.95 0.00 3.23 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 18 R 8.36 4.03 0.00 1.78 2.01 0.00 3.19 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 19 E 8.72 4.38 0.00 2.07 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 0.00 2.48 2.33 0.00 20 A 8.11 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.54 0.00 1.68 1.75 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.16 3.98 0.00 1.56 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.48 0.00 23 Y 7.75 4.48 0.00 3.11 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 24 V 7.88 4.68 2.12 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 0.95 0.00 0.00 1.06 0.00 0.00 25 K 8.13 4.43 0.00 1.66 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.45 7.81 26 L 8.04 4.11 0.00 1.76 1.61 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.15 2.11 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 28 V 7.74 3.63 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 0.90 0.00 0.00 0.95 0.00 0.00 29 L 7.96 4.03 0.00 1.90 1.91 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.16 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.88 0.00 2.02 1.93 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 32 I 7.90 3.49 1.52 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 0.22 0.00 0.00 33 L 7.69 3.70 0.00 1.68 1.75 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.02 3.79 0.00 2.11 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 2.21 2.27 0.00 35 D 7.73 4.09 0.00 2.70 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.66 0.00 1.74 1.89 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 2.15 2.15 0.00 37 E 8.13 3.83 0.00 1.84 1.89 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 2.25 2.40 0.00 38 K 7.29 3.54 0.00 1.47 1.55 0.00 1.44 0.00 0.00 1.39 0.00 0.00 2.56 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.38 7.81 39 H 7.72 4.01 0.00 3.34 3.29 0.00 5.69 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 40 I 7.56 3.74 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.89 0.00 0.00 41 E 7.97 4.11 0.00 2.04 2.02 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 2.32 2.30 0.00 42 W 8.47 4.48 0.00 3.54 3.13 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 0.00 43 L 8.26 4.08 0.00 1.75 1.73 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.45 4.01 0.00 2.17 2.02 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 2.34 2.62 0.00 45 T 7.96 3.89 4.51 0.00 0.00 0.00 0.00 0.00 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 46 I 7.60 3.86 2.00 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 1.51 0.64 0.88 0.00 0.00 47 L 8.21 4.20 0.00 1.57 1.71 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.15 3.87 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 0.00 0.00 0.00