NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1203 8.0093 120.7867 61.0518 39.1493 174.4668 2 T 4.5168 8.2039 115.5462 59.4522 71.4612 171.4427 3 A 4.6931 8.7641 125.0300 50.3877 23.2280 177.6025 4 K 4.2479 8.3273 118.9033 55.2744 32.8646 175.7600 5 P 4.2860 0.0000 0.0000 62.3243 31.8240 176.3903 6 A 4.0004 8.5568 123.1196 53.0185 18.6012 178.2976 7 K 4.2011 8.7682 122.6320 58.7343 32.6667 177.6083 8 T 4.5621 7.3711 107.7393 57.9725 68.2570 171.0588 9 P 4.1802 0.0000 0.0000 64.1654 32.2746 176.1541 10 T 5.0815 8.4638 117.8449 61.0460 69.5422 175.2791 11 S 4.4630 8.4516 122.0912 56.8972 65.4762 172.9311 12 P 4.1856 0.0000 0.0000 65.8330 31.0255 178.8329 13 K 3.9130 7.9278 117.5712 59.6319 32.3274 178.6240 14 E 4.0078 8.0243 118.5696 59.3845 29.2953 179.2740 15 Q 3.9667 8.4408 118.2932 58.8670 28.7837 178.6446 16 A 3.9121 8.1545 121.8166 55.2734 18.3036 179.8793 17 I 3.7678 7.6766 117.7733 64.4607 37.2610 178.9102 18 G 3.5856 8.2330 106.7431 47.6173 0.0000 175.3432 19 L 3.8629 8.4956 123.1218 58.0247 42.0632 179.3830 20 S 4.0012 7.9963 114.9161 61.6845 62.8022 176.9408 21 V 3.6947 8.0946 121.1400 65.9875 31.1123 178.1769 22 T 4.0152 8.0208 115.6705 66.8627 68.4333 176.3948 23 F 4.2784 8.8497 119.8690 60.8937 38.9814 177.8630 24 L 4.2274 8.4344 118.5850 57.4821 41.1921 179.5804 25 S 4.1939 8.1515 113.7262 60.9922 63.4957 176.1074 26 F 4.2600 8.0932 120.0889 59.9554 38.9861 177.9063 27 L 4.0842 8.2236 118.5278 57.4106 41.5264 179.4342 28 L 4.0648 8.1457 118.9970 57.3979 41.6082 177.8679 29 P 4.3000 0.0000 0.0000 65.3943 31.3140 178.4968 30 A 4.1814 7.6132 118.0009 55.2300 18.3427 179.7652 31 G 3.7376 8.3486 104.2721 47.7507 0.0000 175.5863 32 W 4.2163 8.6013 130.8567 60.2343 30.5702 178.1874 33 V 3.7585 7.9642 116.6753 66.2006 31.4493 177.6041 34 L 4.1548 8.3983 119.0786 57.9663 41.2380 178.7368 35 Y 3.9242 8.2620 118.8019 60.7356 39.0723 177.1588 36 H 4.1899 7.5824 114.1459 55.4972 28.9402 176.7913 37 L 4.0195 7.2312 123.1928 58.0942 41.4340 179.0049 38 D 4.1993 7.6142 117.1992 57.3106 41.0568 177.7706 39 N 4.3390 7.1799 114.4381 56.0800 38.4575 176.2494 40 Y 4.6151 7.1905 116.7071 60.7154 38.5029 176.9689 41 K 4.2721 7.9842 119.0393 57.1990 32.5058 177.4650 42 K 4.2936 7.8388 130.3945 56.0756 31.4791 177.1674 43 S 4.5692 8.3275 120.6724 59.2914 63.6832 177.4970 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 I 8.01 4.12 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 1.35 0.91 0.00 0.00 2 T 8.20 4.52 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 3 A 8.76 4.69 1.21 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 0.00 0.00 4 K 8.33 4.25 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.29 0.00 2.03 2.00 0.00 3.70 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 2.03 2.09 0.00 6 A 8.56 4.00 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 7 K 8.77 4.20 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.37 4.56 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 9 P 0.00 4.18 0.00 2.05 2.05 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 10 T 8.46 5.08 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 11 S 8.45 4.46 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 13 K 7.93 3.91 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.02 4.01 0.00 2.33 1.98 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 2.32 2.34 0.00 15 Q 8.44 3.97 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 16 A 8.15 3.91 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 17 I 7.68 3.77 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.91 0.00 0.00 18 G 8.23 3.59 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 0.00 0.00 0.00 19 L 8.50 3.86 0.00 1.70 1.63 0.58 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.00 4.00 0.00 4.03 3.88 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 0.00 0.00 0.00 21 V 8.09 3.69 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.02 4.02 4.64 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 0.00 0.00 0.00 1.48 0.00 0.00 23 F 8.85 4.28 0.00 3.19 3.18 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 24 L 8.43 4.23 0.00 1.78 1.78 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.15 4.19 0.00 3.97 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 26 F 8.09 4.26 0.00 3.26 3.07 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 27 L 8.22 4.08 0.00 1.79 1.77 0.97 0.41 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 28 L 8.15 4.06 0.00 1.80 1.75 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.30 0.00 2.18 2.09 0.00 3.81 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 2.18 2.12 0.00 30 A 7.61 4.18 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 31 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.60 4.22 0.00 3.56 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.76 2.38 0.00 0.00 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 1.23 0.00 0.00 34 L 8.40 4.15 0.00 2.02 1.75 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.26 3.92 0.00 2.93 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 36 H 7.58 4.19 0.00 2.51 2.29 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.23 4.02 0.00 1.76 1.66 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.61 4.20 0.00 2.58 2.47 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 39 N 7.18 4.34 0.00 2.43 2.74 0.00 0.00 7.07 7.34 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 40 Y 7.19 4.62 0.00 3.04 2.89 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 41 K 7.98 4.27 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 42 K 7.84 4.29 0.00 1.73 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.43 7.81 43 S 8.33 4.57 0.00 4.11 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