NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4133 8.3344 116.7949 57.9106 64.0081 173.2593 3 I 3.9509 7.3385 121.7001 58.1985 38.6728 175.1952 4 S 4.1208 9.0336 122.3317 60.8323 63.9107 173.3491 5 A 3.9037 7.1548 120.6406 52.6808 17.8232 177.5169 6 R 4.0783 8.5880 120.9774 57.9072 30.8138 176.3629 7 N 4.9054 7.9639 116.5761 51.5640 40.8942 173.9046 8 Q 4.9449 8.6907 123.1183 54.1546 31.7580 175.4679 9 L 4.6089 8.9024 126.3169 52.5733 42.9612 176.4736 10 K 4.4773 8.6289 124.7123 56.6991 33.5959 176.9603 11 G 4.2764 9.4009 111.3597 45.6779 0.0000 170.9892 12 K 5.2046 8.7521 121.0673 54.0734 35.2019 176.0565 13 V 4.1201 8.8239 128.2552 63.6434 31.9178 176.3591 14 V 4.5570 9.2803 120.2992 61.0191 33.7870 176.0527 15 G 4.4155 7.8751 107.4885 44.4996 0.0000 171.8401 16 L 5.2142 8.3253 122.9071 54.0365 43.6358 175.1554 17 K 4.5490 9.1439 124.3812 54.6100 35.5361 174.6881 18 K 4.6286 8.8870 127.0855 55.2971 33.3133 176.7534 19 G 4.2772 8.2081 115.4445 44.8091 0.0000 173.1575 20 V 3.8607 8.5064 118.2914 64.8890 32.2797 177.8603 21 V 4.3636 7.7675 118.3090 63.1850 34.3463 175.1649 22 T 5.2847 7.8277 109.0037 59.8251 72.2904 172.9109 23 A 5.0853 9.1731 122.2791 50.2842 23.4162 174.6529 24 E 5.0967 9.0486 120.5746 54.4894 32.4437 174.8668 25 V 4.7360 9.2292 127.9292 61.1347 34.4301 174.1073 26 V 4.7878 8.7957 128.8087 61.3671 33.3573 174.2898 27 L 5.1929 8.9331 128.2840 53.1101 44.8022 175.2928 28 E 4.8908 9.3027 122.9034 55.1325 31.1178 175.6671 29 I 4.7309 8.4575 118.2363 58.2765 41.2210 174.8345 30 A 3.9290 7.6593 122.1918 53.9514 18.3942 178.2437 31 G 3.8279 8.6574 110.0082 45.1688 0.0000 174.2308 32 G 3.8726 7.8563 107.0262 45.3998 0.0000 173.3698 33 N 4.8944 7.8252 116.4184 51.9405 40.8684 173.9446 34 K 5.0523 8.4920 119.4609 54.7705 35.1406 175.6077 35 I 4.5498 8.5650 124.6160 59.7723 40.1231 174.5637 36 T 4.9354 8.5566 122.8316 61.7914 70.7394 173.3443 37 S 4.7608 9.2211 121.8139 56.3720 65.3647 172.5230 38 I 5.5723 8.6991 127.3026 59.0993 39.4550 174.5922 39 I 4.7782 7.9187 120.4062 59.4086 41.6459 174.3577 40 S 4.7358 8.5569 115.5210 57.9908 63.9520 174.9120 41 L 4.0459 8.5851 124.3243 58.0065 41.6807 179.3946 42 D 4.3332 7.9870 118.8009 57.6198 40.8843 178.5915 43 S 4.3443 7.9667 115.1344 61.2944 62.8388 176.9520 44 V 3.5917 7.7133 120.9627 65.9559 30.8745 177.9496 45 E 4.0720 8.2206 118.3582 59.1690 29.1661 179.0543 46 E 4.0070 8.5259 118.3460 59.1245 29.6507 178.0646 47 L 4.1135 8.1348 117.0564 54.7993 42.3794 176.4653 48 G 3.7718 7.3938 105.9701 46.3477 0.0000 174.4563 49 V 3.8871 7.5219 117.2378 62.4140 32.8087 174.9955 50 K 4.6282 8.1257 123.6908 54.7536 36.0889 175.1552 51 E 4.1391 8.5664 120.6551 58.3863 29.7046 177.8575 52 G 3.9462 9.0970 112.3731 45.0139 0.0000 173.7972 53 A 4.2057 7.8883 121.7492 52.0165 19.7929 176.3893 54 E 4.7721 8.6121 120.0660 55.5404 30.5680 175.7894 55 L 4.9514 9.2782 123.8847 53.3406 46.9765 175.2715 56 T 5.1208 8.4289 115.9665 61.8485 71.0212 173.7693 57 A 4.4952 9.0041 128.9779 50.9202 20.4936 175.9780 58 V 4.8854 8.3685 122.3790 61.0778 33.9050 175.0714 59 V 4.4405 9.0134 127.0326 60.8121 34.9967 174.4353 60 K 4.1557 8.7416 129.2888 56.1793 33.1038 177.2682 61 S 4.1025 9.0369 122.5885 62.2319 62.8275 176.3105 62 T 4.1372 7.8668 106.6365 62.9950 68.6339 174.2579 63 D 4.6972 8.1037 121.5493 54.1264 41.3937 175.9344 64 V 4.1394 7.5419 120.4747 61.5337 32.2874 175.4471 65 M 4.5078 8.3787 126.6588 54.1079 33.7057 175.1980 66 I 4.4609 8.0386 120.1958 59.3665 39.8503 175.0744 67 L 4.5542 8.4576 126.1277 53.0590 43.8533 175.8249 68 A 4.2244 8.6150 127.9178 52.4496 18.6591 176.6307 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 2 S 8.33 4.41 0.00 3.88 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 3 I 7.34 3.95 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 1.47 1.47 0.91 0.00 0.00 4 S 9.03 4.12 0.00 4.01 3.99 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 5 A 7.15 3.90 1.28 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 0.00 0.00 6 R 8.59 4.08 0.00 1.81 1.99 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 7 N 7.96 4.91 0.00 2.74 2.72 0.00 0.00 6.65 7.52 0.00 0.00 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 Q 8.69 4.94 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 9 L 8.90 4.61 0.00 1.54 1.59 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.63 4.48 0.00 1.71 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 11 G 9.40 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 0.00 0.00 0.00 0.00 12 K 8.75 5.20 0.00 1.87 1.63 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 13 V 8.82 4.12 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 0.85 0.00 0.00 0.97 0.00 0.00 14 V 9.28 4.56 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 0.95 0.00 0.00 1.03 0.00 0.00 15 G 7.88 4.42 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 0.00 16 L 8.33 5.21 0.00 1.58 1.61 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.14 4.55 0.00 1.80 1.63 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.40 7.81 18 K 8.89 4.63 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.21 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 0.00 0.00 0.00 0.00 20 V 8.51 3.86 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.77 4.36 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 1.06 0.00 0.00 0.93 0.00 0.00 22 T 7.83 5.28 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 1.21 0.00 0.00 23 A 9.17 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.05 5.10 0.00 2.03 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 2.18 2.21 0.00 25 V 9.23 4.74 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 0.95 0.00 0.00 0.93 0.00 0.00 26 V 8.80 4.79 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 27 L 8.93 5.19 0.00 1.59 1.53 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.30 4.89 0.00 1.87 1.87 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 2.26 2.24 0.00 29 I 8.46 4.73 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 1.30 0.93 0.91 0.00 0.00 30 A 7.66 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 3.83 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 0.00 0.00 0.00 32 G 7.86 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 33 N 7.83 4.89 0.00 2.73 2.73 0.00 0.00 6.84 8.13 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 34 K 8.49 5.05 0.00 1.60 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.56 4.55 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 1.23 1.09 0.91 0.00 0.00 36 T 8.56 4.94 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 1.21 0.00 0.00 37 S 9.22 4.76 0.00 3.83 3.81 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 38 I 8.70 5.57 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 1.03 1.20 0.91 0.00 0.00 39 I 7.92 4.78 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 1.40 1.12 0.91 0.00 0.00 40 S 8.56 4.74 0.00 4.03 4.02 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 41 L 8.59 4.05 0.00 1.94 1.71 0.92 1.63 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 42 D 7.99 4.33 0.00 2.73 2.69 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 43 S 7.97 4.34 0.00 3.88 3.91 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 44 V 7.71 3.59 2.20 0.00 0.00 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 45 E 8.22 4.07 0.00 2.08 1.97 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 2.32 2.64 0.00 46 E 8.53 4.01 0.00 2.02 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 0.00 2.34 2.33 0.00 47 L 8.13 4.11 0.00 1.68 1.71 0.95 0.79 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 G 7.39 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 49 V 7.52 3.89 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 0.79 0.00 0.00 0.93 0.00 0.00 50 K 8.13 4.63 0.00 1.81 1.62 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.63 7.81 51 E 8.57 4.14 0.00 1.95 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 2.32 0.00 52 G 9.10 3.95 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 0.00 0.00 0.00 53 A 7.89 4.21 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 54 E 8.61 4.77 0.00 1.86 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 2.28 0.00 55 L 9.28 4.95 0.00 1.48 1.50 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.43 5.12 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 1.21 0.00 0.00 57 A 9.00 4.50 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 58 V 8.37 4.89 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 0.81 0.00 0.00 0.93 0.00 0.00 59 V 9.01 4.44 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.74 4.16 0.00 1.83 1.66 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.46 7.81 61 S 9.04 4.10 0.00 3.92 3.93 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 62 T 7.87 4.14 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 1.21 0.00 0.00 63 D 8.10 4.70 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 4.14 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 0.78 0.00 0.00 0.93 0.00 0.00 65 M 8.38 4.51 0.00 2.04 1.98 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 2.54 2.54 0.00 66 I 8.04 4.46 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 1.30 0.88 0.91 0.00 0.00 67 L 8.46 4.55 0.00 1.53 1.52 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.61 4.22 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