NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2534 8.0327 110.9170 61.6487 70.6581 177.0190 3 C 4.0564 8.2247 123.2169 60.5838 38.9200 172.3300 4 A 3.7683 8.2124 121.9905 55.3209 18.0306 178.8894 5 S 4.1412 7.5973 109.8492 60.4849 62.7107 175.3420 6 R 4.6061 7.9682 120.5072 55.2996 30.8477 175.5953 7 C 4.9384 7.1616 116.5497 55.7591 41.1100 172.1983 8 P 4.4180 0.0000 0.0000 63.6828 31.6811 177.0065 9 R 4.6278 7.4309 118.2783 54.3936 29.7787 173.5235 10 P 4.6944 0.0000 0.0000 64.5089 32.2570 177.7212 11 C 4.9613 7.6639 113.9910 54.2944 41.5580 172.2405 12 N 4.5489 8.2024 116.9522 52.6927 39.6147 174.1290 13 A 4.3125 8.2014 121.7201 53.5990 19.1823 176.9865 14 G 4.1306 9.0021 109.7071 45.0401 0.0000 173.7648 15 L 4.9766 6.9556 118.0242 53.2521 44.3125 175.5548 16 C 5.1424 8.9254 117.4531 55.2882 40.4527 172.3992 17 C 4.9662 8.7131 122.1572 56.0630 42.9912 172.2805 18 S 5.3212 9.6274 121.9541 56.2947 63.1175 174.5733 19 I 3.4193 8.8489 120.3930 64.6530 36.9123 176.7944 20 Y 4.1588 8.4624 119.0591 59.6365 37.9026 176.5865 21 G 4.1359 9.9690 109.4774 45.2261 0.0000 173.0787 22 Y 4.6832 7.7979 113.8819 56.7742 41.9750 175.9932 23 C 5.6644 8.2606 120.8310 55.4202 43.1832 174.4867 24 G 2.9950 7.3435 106.2396 46.2558 0.0000 169.9085 25 S 4.7086 7.8115 115.5145 58.5063 65.4908 173.7448 26 G 4.0431 8.5617 108.0078 45.6836 0.0000 173.5894 27 A 4.0851 8.4145 119.3616 54.4163 19.1794 179.9852 28 A 3.8284 8.0803 118.0497 54.6706 18.5713 177.6756 29 Y 4.5620 7.7212 111.7178 58.5326 40.0942 175.6315 30 C 4.9989 8.4442 119.7499 55.8825 38.4042 173.3282 31 G 4.4383 7.9158 106.1339 42.3860 0.0000 173.2036 32 A 3.9851 8.2471 122.6192 55.8896 17.5878 177.0735 33 G 4.1226 9.0023 110.9224 46.3844 0.0000 172.7892 34 N 4.9531 7.9592 116.2949 52.7565 38.9652 171.7099 35 C 5.2362 7.8999 112.3156 53.7685 44.3282 173.7608 36 R 4.0122 9.2480 125.7725 58.7778 30.2701 175.2001 37 C 4.8915 7.5509 112.7675 56.1404 44.6752 172.7735 38 Q 3.5432 8.4534 116.2502 57.7101 25.3350 175.5172 39 C 4.6351 8.1526 114.9844 58.2937 41.9216 175.8010 40 R 3.9465 8.1557 118.8248 56.3455 30.1839 176.1219 41 G 3.6749 8.0267 110.3358 46.0993 0.0000 171.7890 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 T 8.03 4.25 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 3 C 8.22 4.06 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.77 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 5 S 7.60 4.14 0.00 3.97 3.94 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 6 R 7.97 4.61 0.00 1.95 1.88 0.00 3.16 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 7 C 7.16 4.94 0.00 3.10 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 8 P 0.00 4.42 0.00 2.18 2.16 0.00 3.71 0.00 0.00 3.65 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 9 R 7.43 4.63 0.00 1.78 1.89 0.00 3.20 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 10 P 0.00 4.69 0.00 2.17 2.40 0.00 3.37 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 11 C 7.66 4.96 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.55 0.00 2.74 2.77 0.00 0.00 6.74 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.20 4.31 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 14 G 9.00 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 6.96 4.98 0.00 1.56 1.65 0.94 0.75 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 16 C 8.93 5.14 0.00 2.89 2.97 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 17 C 8.71 4.97 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 18 S 9.63 5.32 0.00 4.20 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 19 I 8.85 3.42 1.97 0.00 0.00 1.03 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 0.88 0.99 0.00 0.00 20 Y 8.46 4.16 0.00 2.97 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 21 G 9.97 4.14 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 0.00 0.00 0.00 22 Y 7.80 4.68 0.00 3.20 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 23 C 8.26 5.66 0.00 2.95 2.99 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 24 G 7.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.71 0.00 3.80 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 26 G 8.56 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.09 1.29 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 0.00 0.00 0.00 28 A 8.08 3.83 0.93 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 0.00 0.00 29 Y 7.72 4.56 0.00 3.15 2.99 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 30 C 8.44 5.00 0.00 2.91 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 31 G 7.92 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 0.00 0.00 0.00 0.00 32 A 8.25 3.99 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 33 G 9.00 4.12 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 0.00 0.00 0.00 34 N 7.96 4.95 0.00 2.81 2.86 0.00 0.00 6.17 7.10 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 35 C 7.90 5.24 0.00 3.14 3.17 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 36 R 9.25 4.01 0.00 1.77 2.02 0.00 3.30 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 37 C 7.55 4.89 0.00 2.98 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.45 3.54 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 39 C 8.15 4.64 0.00 2.96 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 40 R 8.16 3.95 0.00 1.75 1.95 0.00 3.45 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 41 G 8.03 3.67 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 0.00 0.00 0.00