NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.0393 8.3144 121.7572 56.0183 34.0913 175.6744 2 T 3.9042 7.2225 111.1592 60.1189 69.2334 171.3798 3 Y 5.0572 8.5574 122.7327 56.2461 42.8360 173.9865 4 Q 5.0836 8.7389 121.7672 54.5741 32.7436 174.0425 5 C 4.6973 8.3688 123.3151 58.5895 32.9736 172.5073 6 Q 4.3918 8.6319 118.5817 55.9822 30.7267 175.6674 7 Y 4.3637 7.9707 114.1987 59.5907 38.9247 174.3776 8 C 5.1961 7.8831 113.0051 56.6732 32.6548 172.7831 9 E 4.4868 8.6739 114.0123 56.0147 28.8524 177.2913 10 F 4.4758 7.8707 122.3627 57.7164 40.5904 174.5679 11 R 4.7212 8.0544 126.4532 54.6894 31.7023 174.3868 12 S 4.6705 8.4966 121.5402 56.0452 67.5785 174.2028 13 A 4.8237 8.3511 121.4865 52.0967 19.2826 175.6541 14 D 5.0762 8.3256 117.4915 54.2050 44.5357 174.5986 15 S 4.5558 8.7450 117.1396 57.6880 63.0065 174.1962 16 S 4.5827 8.9002 115.3817 59.1126 64.7947 175.1489 17 N 5.2047 8.3925 116.2358 53.0084 38.9252 175.6015 18 L 4.5515 7.8287 121.5605 56.8623 43.3176 178.4383 19 K 4.0556 7.8690 118.2762 60.2117 32.6732 179.1625 20 T 3.7724 7.5062 116.6405 66.5497 68.3066 175.6436 21 H 3.7552 7.4396 118.7677 59.5712 29.5688 176.6736 22 I 3.6229 7.7171 120.9317 64.5736 36.0160 178.2505 23 K 3.7696 7.9163 121.3693 58.5642 31.6260 177.8811 24 T 4.2844 7.7347 111.4472 62.6599 68.1925 175.6676 25 K 4.2351 7.9271 118.4395 56.4693 32.9488 176.4285 26 H 4.5290 8.0942 114.5418 56.4248 30.5953 173.5344 27 S 4.7055 7.5029 111.6682 56.4061 65.8375 173.2841 28 K 4.7506 8.1351 117.8775 54.5590 31.6021 175.1026 29 E 4.2708 8.1638 118.0539 57.3415 31.7526 175.9064 30 K 5.1920 7.0455 121.4187 55.5222 31.4798 174.6508 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 K 8.31 4.04 0.00 1.64 1.77 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.37 7.81 2 T 7.22 3.90 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 1.07 0.00 0.00 3 Y 8.56 5.06 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.74 5.08 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.20 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 5 C 8.37 4.70 0.00 3.47 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 6 Q 8.63 4.39 0.00 1.80 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.59 0.00 0.00 0.00 0.00 0.00 1.69 2.10 0.00 7 Y 7.97 4.36 0.00 2.46 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 8 C 7.88 5.20 0.00 3.18 3.13 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 9 E 8.67 4.49 0.00 2.09 2.07 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 2.23 2.39 0.00 10 F 7.87 4.48 0.00 3.16 2.93 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 11 R 8.05 4.72 0.00 1.76 1.68 0.00 3.19 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.00 12 S 8.50 4.67 0.00 3.73 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 13 A 8.35 4.82 1.17 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 0.00 0.00 14 D 8.33 5.08 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.74 4.56 0.00 2.98 3.53 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 0.00 0.00 0.00 0.00 16 S 8.90 4.58 0.00 4.00 4.05 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 17 N 8.39 5.20 0.00 2.91 2.93 0.00 0.00 6.68 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.83 4.55 0.00 2.08 1.66 1.22 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.87 4.06 0.00 2.02 2.05 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.52 7.81 20 T 7.51 3.77 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 1.18 0.00 0.00 21 H 7.44 3.76 0.00 2.82 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.72 3.62 2.08 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 1.74 0.85 0.97 0.00 0.00 23 K 7.92 3.77 0.00 1.80 1.93 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.31 7.81 24 T 7.73 4.28 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 1.20 0.00 0.00 25 K 7.93 4.24 0.00 1.38 1.42 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.27 7.81 26 H 8.09 4.53 0.00 2.75 2.42 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.50 4.71 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.75 0.00 1.68 1.72 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.28 7.81 29 E 8.16 4.27 0.00 1.86 1.90 0.00 0.00 0.00 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 30 K 7.05 5.19 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.56 7.81