NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3704 8.2649 122.4622 52.1044 20.6795 175.7422 2 T 4.2707 8.2556 115.4048 61.5946 70.9552 172.5878 3 C 5.5064 9.3447 124.7833 55.2873 43.0953 172.8020 4 Y 4.8522 8.9003 118.4567 56.4571 42.1520 174.1191 5 C 5.1945 8.9646 120.1413 56.3164 39.2218 173.1506 6 R 4.9175 9.2048 124.3205 54.6214 31.8654 178.0271 7 T 4.3354 8.8552 112.4044 63.3385 69.7004 174.2873 8 G 4.3005 7.6012 110.4495 43.6558 0.0000 172.9754 9 R 4.2311 8.2441 117.6040 55.7218 30.8300 177.3542 10 C 4.4772 8.4621 117.0811 56.5232 40.3270 173.9227 11 A 4.2957 8.8411 125.8275 52.4060 18.5083 179.2114 12 T 4.0275 8.3149 109.6263 64.2244 69.1041 175.8903 13 R 4.1554 7.8957 119.2353 57.1467 30.5815 176.1137 14 E 4.6825 7.7356 117.7531 55.3850 31.1941 175.3289 15 S 4.7677 8.6304 115.6439 56.5421 66.7195 173.9049 16 L 4.5970 8.6727 125.8339 55.4969 41.4099 176.2988 17 S 4.5575 9.2286 123.0240 58.0520 64.0596 175.2500 18 G 3.9839 6.9481 105.8770 46.0779 0.0000 171.6802 19 V 4.9907 8.1246 111.6028 59.9358 36.0882 175.6414 20 C 5.0777 9.4300 120.0737 55.3349 43.2799 172.9125 21 E 5.0196 8.8541 122.7566 54.9655 30.7959 175.7515 22 I 4.4723 8.8319 126.0807 60.4433 40.2140 176.0669 23 S 3.7208 10.0094 123.6215 59.6819 60.2349 173.5235 24 G 3.9949 8.6612 105.3451 45.4802 0.0000 173.4074 25 R 4.5860 7.8831 117.5679 53.9922 33.9396 173.6185 26 L 5.0105 7.7949 121.1471 53.7298 44.1302 175.0565 27 Y 4.8609 8.6006 121.8056 55.9765 42.6465 174.9567 28 R 4.3768 8.7573 121.3277 56.1552 31.8367 175.7087 29 L 4.9388 8.8671 126.3644 54.3930 43.1841 174.2729 30 C 5.5101 9.2872 125.3588 55.4947 42.7203 172.7470 31 C 5.6590 9.1242 120.3107 55.2288 44.5782 174.2718 32 R 4.2488 8.4937 121.0078 56.7215 29.7073 174.6224 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 A 8.26 4.37 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 2 T 8.26 4.27 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 1.08 0.00 0.00 3 C 9.34 5.51 0.00 2.69 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 4 Y 8.90 4.85 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.96 5.19 0.00 2.83 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 6 R 9.20 4.92 0.00 1.77 1.93 0.00 3.15 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 T 8.86 4.34 4.38 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 0.00 0.00 0.00 1.27 0.00 0.00 8 G 7.60 4.30 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 0.00 0.00 0.00 9 R 8.24 4.23 0.00 1.82 1.88 0.00 3.22 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 10 C 8.46 4.48 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 11 A 8.84 4.30 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 12 T 8.31 4.03 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 1.21 0.00 0.00 13 R 7.90 4.16 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 14 E 7.74 4.68 0.00 2.18 1.93 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 2.37 2.31 0.00 15 S 8.63 4.77 0.00 3.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.60 0.00 1.66 1.63 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.23 4.56 0.00 3.76 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 18 G 6.95 3.98 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 0.00 0.00 0.00 19 V 8.12 4.99 2.15 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 0.76 0.00 0.00 0.94 0.00 0.00 20 C 9.43 5.08 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 21 E 8.85 5.02 0.00 1.87 1.92 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 2.24 2.34 0.00 22 I 8.83 4.47 2.13 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.92 0.00 0.00 23 S 10.01 3.72 0.00 4.04 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 24 G 8.66 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 25 R 7.88 4.59 0.00 1.90 1.45 0.00 3.18 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 26 L 7.79 5.01 0.00 1.47 1.32 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.60 4.86 0.00 3.06 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 28 R 8.76 4.38 0.00 1.86 1.89 0.00 3.38 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 29 L 8.87 4.94 0.00 1.79 1.70 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 C 9.29 5.51 0.00 2.99 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 C 9.12 5.66 0.00 2.84 2.91 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 32 R 8.49 4.25 0.00 1.83 1.76 0.00 3.31 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00