NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.9503 8.0244 121.4527 62.2668 38.3345 172.1378 10 D 4.1679 8.7269 128.6542 51.9543 38.5281 170.0679 11 P 4.6374 0.0000 0.0000 63.6375 33.6739 178.2156 12 R 4.2902 7.9561 111.7737 56.4293 28.7653 176.6383 13 I 4.2707 8.0170 120.2398 62.9976 40.5047 176.1626 14 H 4.6653 7.8047 117.7385 54.7265 26.8003 172.7367 15 Y 4.1366 7.5559 125.9503 56.7633 37.9595 169.8087 16 L 4.0774 8.1851 120.4107 57.1063 42.9887 177.3165 17 V 3.5821 7.8613 119.7886 61.8352 30.7699 173.4899 18 P 4.7319 0.0000 0.0000 60.6862 33.8912 174.8783 19 K 3.8855 8.6475 119.9550 57.5192 32.3715 177.1140 20 H 4.7976 8.6431 125.3549 57.2886 30.8713 174.1743 21 E 5.9115 8.6123 131.3851 57.2013 32.6426 177.3573 22 V 4.0569 8.3097 125.3400 62.9515 32.7550 174.9029 23 L 4.7849 7.6451 125.6885 52.7159 43.8157 176.2887 24 N 4.4576 8.8759 122.2794 53.0303 38.8541 175.9927 25 I 3.6489 8.6434 125.1305 64.8399 36.8372 177.5571 26 D 4.4300 8.1736 118.5750 57.4593 39.3402 178.4503 27 E 4.1156 8.4980 117.7694 59.1874 29.7449 178.4279 28 A 4.1890 8.0593 121.8706 53.9518 17.9339 179.2086 29 Y 4.3664 8.6965 116.7601 56.6519 39.1928 176.7160 30 K 4.4159 8.9154 123.2487 57.6487 34.9628 178.0047 31 I 3.5345 7.3356 118.6025 64.4717 36.6537 178.0822 32 L 3.7672 7.7637 119.1439 58.0921 41.1399 179.7685 33 K 3.9211 7.6129 117.0536 59.2767 32.2950 178.3746 34 E 4.2612 7.9642 118.4226 58.1635 29.7691 177.1571 35 L 4.2556 7.9929 116.2584 53.9036 43.0220 177.6663 36 G 3.9597 7.4212 104.4765 46.0424 0.0000 172.6916 37 I 4.5021 7.5280 113.2687 59.6169 41.1059 176.0733 38 R 4.1987 8.0928 121.2644 54.7265 31.0549 175.1787 39 P 4.2430 0.0000 0.0000 65.6564 31.5602 178.2953 40 E 2.7858 7.8446 116.1719 57.8787 29.5857 177.0677 41 Q 4.4815 6.8592 116.1977 53.2040 28.1478 173.8730 42 L 4.4822 7.0583 120.2415 55.5595 43.6621 176.6185 43 P 3.7339 0.0000 0.0000 63.0046 31.8365 174.8743 44 W 3.8147 8.8215 120.4289 56.0103 29.5014 173.1938 45 I 4.8724 8.1066 118.9918 59.3342 41.8122 173.7940 46 R 4.6354 8.6779 128.0608 55.8623 30.7534 176.8739 47 A 4.1355 8.8957 128.2654 55.3674 18.4587 179.0368 48 S 4.1293 8.3120 110.4495 61.1797 63.3522 175.0882 49 D 4.3299 7.6605 118.3353 54.1424 41.8753 175.0721 50 P 4.2080 0.0000 0.0000 66.5263 30.8986 178.5022 51 V 3.6568 7.5151 114.9371 64.0548 31.4095 176.9725 52 A 4.3620 7.5816 119.0131 54.5385 19.7005 178.6726 53 R 4.0100 8.0274 115.1663 56.3738 30.4228 177.1104 54 S 4.4581 8.3996 115.2449 57.8078 61.8226 176.5777 55 I 3.5859 8.6525 114.2656 61.4622 38.6169 175.2195 56 N 4.5792 8.5041 124.1340 53.2507 36.0260 174.7639 57 A 4.3080 7.5173 120.6763 50.6979 19.5383 177.8874 58 K 4.0242 8.4338 123.0768 55.8471 32.7321 174.6892 59 P 4.1263 0.0000 0.0000 66.5249 31.2211 174.5662 60 G 3.4665 7.6994 115.4045 45.9659 0.0000 173.2250 61 D 4.3889 7.3455 122.2400 53.8324 39.6667 176.3722 62 I 4.1201 8.1370 118.3683 60.6160 39.9093 174.5229 63 I 4.8709 8.1917 122.8954 59.5390 39.7674 174.8342 64 R 4.5958 8.7115 128.2950 55.9625 30.5334 175.9898 65 I 4.2137 8.4599 129.3082 59.9756 38.1882 174.8012 66 I 4.3854 8.3485 129.9977 60.2846 35.5890 175.9935 67 R 4.4026 8.2306 121.8371 54.9022 31.7870 176.8761 68 K 4.5824 8.3665 119.7975 55.8949 33.4706 175.9827 69 S 4.6638 8.1081 113.3348 57.0789 65.4117 174.5947 70 Q 4.2922 8.6215 122.2298 56.9671 28.8059 176.6506 71 L 4.7384 7.5316 114.9494 54.5485 44.0240 175.8167 72 Y 4.8714 9.0045 116.4430 57.4365 40.6796 176.8433 73 G 4.9444 6.6748 118.9759 46.5622 0.0000 171.8723 74 E 4.7628 7.3391 117.0123 54.5910 34.0204 174.8439 75 V 4.4610 8.8619 119.1907 62.1496 34.8149 173.9337 76 V 4.0229 8.4560 127.8644 62.6657 32.6892 174.2458 77 S 4.3082 7.3090 116.9237 57.9874 65.7358 172.7897 78 Y 5.9570 8.1640 119.0120 55.0600 41.9307 175.6244 79 R 4.5783 8.4691 122.0729 55.7966 33.8808 174.6926 80 Y 4.6155 9.1640 124.1487 59.5462 46.8451 171.0686 81 V 4.3697 8.4869 123.8033 63.0461 32.7530 171.2518 82 I 4.3898 8.3153 125.9188 61.7590 38.1292 174.9221 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 9 I 8.02 3.95 1.88 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 1.07 0.91 0.00 0.00 10 D 8.73 4.17 0.00 2.90 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 11 P 0.00 4.64 0.00 2.25 2.28 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 12 R 7.96 4.29 0.00 1.94 2.06 0.00 3.10 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 13 I 8.02 4.27 1.82 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 1.28 0.84 0.68 0.00 0.00 14 H 7.80 4.67 0.00 3.24 3.28 0.00 5.72 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.56 4.14 0.00 2.95 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.08 0.00 1.74 1.75 1.15 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.86 3.58 2.13 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 0.81 0.00 0.00 1.01 0.00 0.00 18 P 0.00 4.73 0.00 2.03 2.04 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.16 0.00 19 K 8.65 3.89 0.00 1.92 1.86 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 20 H 8.64 4.80 0.00 3.01 3.28 0.00 5.88 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.61 5.91 0.00 2.33 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 2.18 2.05 0.00 22 V 8.31 4.06 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 0.78 0.00 0.00 0.94 0.00 0.00 23 L 7.65 4.78 0.00 1.87 1.59 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.88 4.46 0.00 2.95 2.76 0.00 0.00 6.53 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.64 3.65 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.83 0.00 0.00 26 D 8.17 4.43 0.00 2.64 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 27 E 8.50 4.12 0.00 2.21 2.22 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 2.57 2.30 0.00 28 A 8.06 4.19 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 29 Y 8.70 4.37 0.00 2.79 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 30 K 8.92 4.42 0.00 1.66 1.91 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.35 7.81 31 I 7.34 3.53 1.49 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.42 0.00 0.00 32 L 7.76 3.77 0.00 1.50 1.56 -0.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.61 3.92 0.00 1.98 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.26 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.60 7.81 34 E 7.96 4.26 0.00 2.00 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 2.32 2.38 0.00 35 L 7.99 4.26 0.00 1.61 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.42 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 37 I 7.53 4.50 1.78 0.00 0.00 0.73 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 0.37 0.89 0.00 0.00 38 R 8.09 4.20 0.00 1.71 1.80 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 P 0.00 4.24 0.00 2.65 2.10 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 40 E 7.84 2.79 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 41 Q 6.86 4.48 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 42 L 7.06 4.48 0.00 1.88 1.75 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 3.73 0.00 2.42 2.31 0.00 3.86 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 2.19 2.22 0.00 44 W 8.82 3.81 0.00 3.54 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 45 I 8.11 4.87 1.99 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 1.31 1.58 1.02 0.00 0.00 46 R 8.68 4.64 0.00 1.97 1.91 0.00 3.43 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 47 A 8.90 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.31 4.13 0.00 3.90 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 49 D 7.66 4.33 0.00 2.83 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 50 P 0.00 4.21 0.00 2.30 2.35 0.00 3.77 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 2.10 2.08 0.00 51 V 7.52 3.66 1.93 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 0.56 0.00 0.00 0.91 0.00 0.00 52 A 7.58 4.36 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.01 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 54 S 8.40 4.46 0.00 4.13 3.26 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 55 I 8.65 3.59 1.85 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 1.42 0.80 0.94 0.00 0.00 56 N 8.50 4.58 0.00 2.75 2.78 0.00 0.00 6.95 7.35 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 57 A 7.52 4.31 1.25 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 0.00 0.00 0.00 58 K 8.43 4.02 0.00 1.80 1.71 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.44 7.81 59 P 0.00 4.13 0.00 2.02 2.04 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 60 G 7.70 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.35 4.39 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 62 I 8.14 4.12 2.05 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 1.38 1.07 0.88 0.00 0.00 63 I 8.19 4.87 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 1.07 0.00 0.00 64 R 8.71 4.60 0.00 2.09 1.94 0.00 3.50 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 65 I 8.46 4.21 1.71 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 1.08 0.47 0.75 0.00 0.00 66 I 8.35 4.39 1.84 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 1.24 0.73 0.88 0.00 0.00 67 R 8.23 4.40 0.00 1.89 1.98 0.00 2.73 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 68 K 8.37 4.58 0.00 1.74 1.76 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 69 S 8.11 4.66 0.00 3.80 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 70 Q 8.62 4.29 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 71 L 7.53 4.74 0.00 1.64 1.64 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.00 4.87 0.00 2.74 2.98 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 73 G 6.67 4.94 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 0.00 0.00 0.00 74 E 7.34 4.76 0.00 1.87 1.82 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 2.18 2.26 0.00 75 V 8.86 4.46 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 0.84 0.00 0.00 1.04 0.00 0.00 76 V 8.46 4.02 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 0.72 0.00 0.00 0.93 0.00 0.00 77 S 7.31 4.31 0.00 3.77 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.16 5.96 0.00 2.85 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 79 R 8.47 4.58 0.00 1.72 1.52 0.00 3.50 0.00 0.00 3.53 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 80 Y 9.16 4.62 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 81 V 8.49 4.37 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 0.97 0.00 0.00 0.93 0.00 0.00 82 I 8.32 4.39 2.18 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 1.09 0.00 0.00