NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2951 8.2493 123.5814 51.3697 19.9360 176.0359 7 P 4.3540 0.0000 0.0000 60.0268 32.6507 174.1035 8 D 4.8130 8.6221 122.0368 51.3203 42.6646 178.1364 9 F 3.9161 8.9178 120.7647 62.2882 39.0201 176.9853 10 H 4.5179 8.2029 114.9310 58.9313 28.3877 177.3857 11 D 4.3646 8.4673 120.2189 57.6060 40.7021 178.5364 12 K 3.7849 7.5591 118.1425 58.6887 32.2948 178.3658 13 Y 4.5203 7.6421 116.3429 58.7364 38.2689 178.0744 14 G 4.0687 7.9286 107.9069 48.3272 0.0000 175.3995 15 N 4.3996 8.2190 118.5739 55.6275 38.4971 177.2682 16 A 3.9250 7.9474 121.6410 55.1326 18.7018 179.2431 17 V 3.5607 8.1811 117.1003 66.2852 31.5531 177.7907 18 L 3.9517 8.3659 119.7375 58.2265 41.8931 178.8459 19 A 4.0040 8.0013 120.6138 55.3512 18.3799 179.8362 20 S 4.3022 8.4656 113.1037 61.4316 63.0104 176.9371 21 G 3.6216 8.3312 109.2122 47.5150 0.0000 175.6075 22 A 4.0711 8.1721 123.4061 55.1517 18.5203 179.8371 23 T 3.8377 8.3618 114.6210 66.8510 68.7102 176.5698 24 F 4.2689 8.5782 122.7419 61.4850 39.3816 176.3918 25 C 3.9764 8.3772 118.1975 62.7398 31.4175 175.6458 26 V 3.6418 7.8268 119.1079 65.9859 30.9279 177.9593 27 A 3.9751 7.8752 119.8785 55.2664 18.3291 179.6919 28 V 3.4294 7.3445 116.0910 65.8152 31.4840 178.3423 29 W 3.7515 8.1660 118.5605 59.7431 28.4519 178.5709 30 V 3.7091 8.0527 118.1801 66.1468 30.8909 177.3055 31 Y 4.0469 8.4065 119.4695 61.0806 38.5163 177.6599 32 M 3.8783 8.4075 117.9088 58.6161 32.3958 177.5793 33 A 4.7621 8.5046 119.4007 54.0935 18.7650 177.8963 34 T 4.6435 7.4592 103.3268 61.0117 70.6196 174.9748 35 Q 4.0719 8.3303 120.4536 56.4170 29.8169 175.8254 36 I 4.1412 6.9625 111.2887 59.1780 39.3244 175.7081 37 G 4.0916 8.1813 106.8857 45.6761 0.0000 174.0604 38 I 3.3294 7.2261 121.1520 61.0153 37.2542 175.9410 39 E 4.3345 8.2322 125.4406 54.7751 29.1888 176.0808 40 W 4.1939 8.7132 124.6770 57.2622 30.1295 176.3600 41 N 4.0847 7.9731 115.1305 53.9243 36.7425 171.0038 42 P 4.6242 0.0000 0.0000 61.6309 33.0004 177.0525 43 S 4.2703 8.3534 114.0028 57.7781 63.4131 172.9992 44 P 4.3354 0.0000 0.0000 64.8659 31.6353 176.5268 45 V 3.7197 6.9396 119.6211 63.3824 31.0993 176.4974 46 G 3.9856 9.0226 113.6625 45.2767 0.0000 173.6258 47 R 4.2486 8.0471 118.7935 57.7967 30.9729 176.2874 48 V 4.0558 7.4597 116.0696 61.8364 32.6297 175.1905 49 T 4.3284 8.2429 123.3639 61.4223 68.6275 173.0938 50 P 4.2373 0.0000 0.0000 62.8190 31.7704 175.6634 51 K 4.5318 8.4636 123.9463 53.8357 34.1645 175.0533 52 E 3.9376 8.9311 126.4432 56.9519 29.6740 176.4672 53 W 4.5672 8.5267 121.6590 56.1370 29.6166 176.0425 54 R 3.8051 6.7266 123.8749 56.2678 31.2115 174.8373 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 6 A 8.25 4.30 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 7 P 0.00 4.35 0.00 2.19 2.02 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 8 D 8.62 4.81 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.92 3.92 0.00 3.18 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 10 H 8.20 4.52 0.00 3.42 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.36 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.78 0.00 0.79 0.76 0.00 1.12 0.00 0.00 1.21 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.14 1.35 7.81 13 Y 7.64 4.52 0.00 2.48 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 14 G 7.93 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.22 4.40 0.00 2.75 2.89 0.00 0.00 6.92 7.77 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 16 A 7.95 3.92 1.40 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 0.00 0.00 17 V 8.18 3.56 2.36 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 1.08 0.00 0.00 1.14 0.00 0.00 18 L 8.37 3.95 0.00 1.86 1.83 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.00 4.00 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 20 S 8.47 4.30 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.17 4.07 1.44 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 0.00 0.00 0.00 23 T 8.36 3.84 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 F 8.58 4.27 0.00 3.16 3.37 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 25 C 8.38 3.98 0.00 3.24 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 26 V 7.83 3.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 27 A 7.88 3.98 1.32 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 0.00 0.00 28 V 7.34 3.43 1.77 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 0.88 0.00 0.00 0.24 0.00 0.00 29 W 8.17 3.75 0.00 3.56 3.30 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 30 V 8.05 3.71 2.35 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.41 4.05 0.00 3.10 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 32 M 8.41 3.88 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 33 A 8.50 4.76 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.46 4.64 4.25 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 1.23 0.00 0.00 35 Q 8.33 4.07 0.00 0.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 36 I 6.96 4.14 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.77 0.00 0.00 37 G 8.18 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.23 3.33 1.44 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.35 -0.30 0.00 0.00 39 E 8.23 4.33 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 40 W 8.71 4.19 0.00 3.26 3.23 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 41 N 7.97 4.08 0.00 2.85 2.80 0.00 0.00 7.20 8.97 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 42 P 0.00 4.62 0.00 2.24 2.09 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.35 4.27 0.00 4.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.34 0.00 2.24 2.35 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 6.94 3.72 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.02 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 0.00 0.00 0.00 47 R 8.05 4.25 0.00 1.75 2.08 0.00 3.27 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 48 V 7.46 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 0.88 0.00 0.00 0.94 0.00 0.00 49 T 8.24 4.33 4.26 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 1.23 0.00 0.00 50 P 0.00 4.24 0.00 2.07 2.06 0.00 3.65 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 2.05 2.11 0.00 51 K 8.46 4.53 0.00 1.71 1.72 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 52 E 8.93 3.94 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 53 W 8.53 4.57 0.00 3.65 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.73 3.81 0.00 1.78 2.11 0.00 3.23 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00