NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5220 8.4549 120.6167 56.8923 45.1294 174.7306 2 T 4.5496 7.9642 124.4258 62.8313 69.9043 172.3910 3 T 4.1812 8.1019 121.7701 66.1890 71.6997 175.1880 4 G 4.1939 7.9471 111.6739 45.2546 0.0000 172.5066 5 P 4.4751 0.0000 0.0000 62.4705 31.9164 178.1203 6 C 4.1788 8.0376 111.1235 56.3127 43.2714 171.3741 7 C 4.0202 11.0600 126.9953 56.9398 42.7808 172.3556 8 R 4.4774 8.8923 125.9450 56.3581 27.9475 177.0983 9 Q 3.9709 7.5209 116.9572 55.8071 29.2920 176.0146 10 C 4.7496 7.7976 119.5315 54.0610 43.3467 174.2511 11 K 4.5577 7.2847 117.0502 56.1065 32.9954 173.9881 12 L 4.5733 8.2544 123.2030 54.4698 41.3841 177.2534 13 K 3.9918 7.9863 119.2298 56.3110 32.8131 174.7466 14 P 4.2930 0.0000 0.0000 63.4135 30.5863 176.8172 15 A 3.7444 7.2484 120.0974 52.6397 17.4427 177.1214 16 G 3.5767 8.4292 108.2231 47.3023 0.0000 173.4953 17 T 4.5383 8.6797 121.6161 62.7913 74.1698 172.9074 18 T 4.3817 8.4569 119.3027 64.0068 69.0262 176.6674 19 C 2.0000 7.9905 124.3888 57.2432 37.1025 171.6152 20 W 4.3184 7.4322 127.9816 55.5142 32.8669 171.1224 21 K 4.1203 8.5713 127.1166 56.1034 32.4414 175.1935 22 T 4.2828 8.2859 116.8409 60.9209 69.8894 175.1490 23 S 5.7364 7.0151 132.1000 57.7821 65.8687 176.0010 24 L 4.4456 7.3493 125.6964 55.8457 47.8972 173.7098 25 T 4.2342 7.5438 111.1227 64.5474 70.9608 174.8720 26 S 4.4443 8.1098 118.6149 59.3622 61.9782 169.7303 27 H 4.2051 9.1769 124.8251 60.1655 29.3583 177.6547 28 Y 4.1800 7.8248 114.6458 58.2527 35.7888 174.7840 29 C 5.5711 8.2623 130.8221 57.3988 42.5676 178.6673 30 T 4.5189 8.9791 135.0000 64.8516 67.2355 170.3816 31 G 3.8766 7.2441 110.9230 49.0478 0.0000 169.7774 32 K 4.4067 8.1405 131.8054 54.6173 28.4609 177.0368 33 S 4.6612 8.6498 114.4177 56.5807 63.2427 173.4375 34 C 5.1602 7.5519 120.5077 56.4463 44.0021 172.9958 35 D 4.5946 7.8474 115.2738 54.5495 42.0604 176.3400 36 C 5.2815 8.4183 114.3759 53.8425 43.4689 172.3134 37 P 4.5974 0.0000 0.0000 62.4809 31.4729 177.1973 38 L 4.8830 7.7640 129.1648 51.5272 38.4953 175.6150 39 Y 5.4284 7.0531 127.6589 57.7133 41.2822 169.5583 40 P 4.0560 0.0000 0.0000 62.0855 32.2140 177.1963 41 G 3.3883 7.8660 111.2289 45.9940 0.0000 172.7394 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 C 8.45 4.52 0.00 2.91 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 2 T 7.96 4.55 4.44 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 1.32 0.00 0.00 3 T 8.10 4.18 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 1.22 0.00 0.00 4 G 7.95 4.19 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 0.00 5 P 0.00 4.48 0.00 2.25 2.31 0.00 3.86 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 2.08 1.96 0.00 6 C 8.04 4.18 0.00 3.38 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 11.06 4.02 0.00 3.17 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 8 R 8.89 4.48 0.00 2.12 2.28 0.00 3.09 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 9 Q 7.52 3.97 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.33 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 10 C 7.80 4.75 0.00 2.96 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 11 K 7.28 4.56 0.00 1.73 1.80 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.43 7.81 12 L 8.25 4.57 0.00 1.75 1.74 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 3.99 0.00 1.80 1.89 0.00 1.70 0.00 0.00 2.07 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.60 7.81 14 P 0.00 4.29 0.00 2.14 2.11 0.00 3.91 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 1.98 1.98 0.00 15 A 7.25 3.74 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 16 G 8.43 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.54 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 18 T 8.46 4.38 4.23 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 1.16 0.00 0.00 19 C 7.99 2.00 0.00 2.71 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 20 W 7.43 4.32 0.00 3.23 3.28 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 21 K 8.57 4.12 0.00 1.35 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.07 7.81 22 T 8.29 4.28 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 1.04 0.00 0.00 23 S 7.02 5.74 0.00 3.98 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 24 L 7.35 4.45 0.00 1.55 1.61 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.54 4.23 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 26 S 8.11 4.44 0.00 3.86 4.32 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 27 H 9.18 4.21 0.00 3.42 3.46 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.82 4.18 0.00 2.99 3.44 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 29 C 8.26 5.57 0.00 3.21 2.27 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 30 T 8.98 4.52 4.22 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 1.17 0.00 0.00 31 G 7.24 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 0.00 0.00 0.00 32 K 8.14 4.41 0.00 1.79 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.26 7.81 33 S 8.65 4.66 0.00 3.86 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 34 C 7.55 5.16 0.00 2.93 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 35 D 7.85 4.59 0.00 2.58 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.42 5.28 0.00 2.96 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 37 P 0.00 4.60 0.00 2.16 2.19 0.00 4.14 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 38 L 7.76 4.88 0.00 1.88 1.90 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.05 5.43 0.00 2.99 2.94 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 40 P 0.00 4.06 0.00 2.02 1.80 0.00 3.76 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 41 G 7.87 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00