NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3023 8.4449 120.2243 56.1507 31.2295 174.7570 2 T 4.3400 7.9363 115.6103 61.3817 70.6274 172.3389 3 S 4.6546 8.6992 122.2396 56.9683 67.9573 172.7429 4 Y 4.7131 8.3053 119.0629 56.7591 41.3690 175.0365 5 T 4.7765 8.5354 120.3484 61.6009 72.0909 173.1531 6 L 4.7631 8.3606 125.2905 53.4214 45.1778 175.1149 7 N 5.1402 8.4662 122.2905 51.7002 41.5386 173.4699 8 E 4.6126 8.1907 119.4668 55.1530 32.5467 174.7247 9 V 3.8556 8.3431 125.7527 62.2409 31.9184 175.7723 10 V 4.4036 8.1189 126.7976 60.2018 32.6280 173.4131 11 P 4.6668 0.0000 0.0000 61.7516 28.9041 176.7820 12 L 4.1554 8.2933 126.9017 59.0332 41.6713 178.5297 13 K 3.8653 8.0435 117.7113 59.3368 32.0488 177.8371 14 E 3.9674 8.1847 117.8202 57.5361 29.4883 177.1532 15 F 4.8875 7.6707 116.6726 57.9243 40.6717 176.3095 16 V 4.4623 7.4299 117.5686 58.9120 33.4507 173.4720 17 P 4.6006 0.0000 0.0000 62.0640 32.1033 176.6508 18 E 3.9962 8.8324 118.7452 58.5218 29.4653 177.8901 19 W 4.7142 8.0812 117.5755 54.8248 31.1087 175.3915 20 V 4.6521 8.3436 115.1076 59.6484 35.0308 174.8471 21 R 4.6939 8.3816 119.8164 54.4696 32.2675 175.8554 22 I 4.4852 7.5929 113.3489 59.1009 40.3665 175.6265 23 G 3.7230 7.1378 106.9596 45.9352 0.0000 172.2731 24 F 4.9457 8.4428 116.9853 55.5738 42.2247 174.4498 25 S 4.7725 8.3352 116.0783 56.9286 66.1146 172.8844 26 A 4.5523 8.0093 121.9784 51.5075 21.6098 175.6152 27 T 4.7376 7.9078 109.2829 60.2887 71.9840 172.8050 28 T 4.9680 8.2580 111.1915 60.1211 73.3540 175.4270 29 G 4.2540 8.6078 112.2149 45.7930 0.0000 175.8458 30 A 4.2246 9.1865 129.2635 53.0639 18.9968 177.6701 31 E 4.8175 7.9076 114.8639 54.6916 32.4838 174.3119 32 F 5.1813 7.2934 113.4617 56.2790 40.6753 172.9311 33 A 4.3902 8.0417 120.9110 51.3944 21.3322 175.8612 34 A 4.2547 8.4974 123.2097 51.9818 19.3169 177.2218 35 H 4.8046 8.6779 118.7282 54.0105 31.1414 173.0489 36 E 4.6563 8.5254 123.0478 54.2683 33.1989 175.2226 37 V 4.1916 8.0906 121.1118 61.1136 33.5605 175.3142 38 L 4.4359 8.4027 126.2670 56.2407 42.6688 176.4636 39 S 4.7824 7.6126 109.8852 57.3290 65.5675 173.1777 40 W 5.4862 8.4583 129.6826 56.5087 33.4434 173.1527 41 Y 4.9073 8.8287 125.1413 55.9072 41.4954 173.8485 42 F 4.3484 7.6745 126.5539 56.6779 42.6548 173.1611 43 H 4.5004 7.1353 125.3018 54.5208 32.5670 172.5660 44 S 4.4435 7.9038 120.3029 56.1902 65.7551 172.9200 45 E 4.4480 8.2457 121.1879 54.3679 32.2194 174.1480 46 L 4.5361 8.4116 127.0887 53.0336 44.3721 175.7265 47 A 4.1948 8.5747 127.6874 52.4541 18.6253 176.6817 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 E 8.44 4.30 0.00 1.96 2.02 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 2.20 2.27 0.00 2 T 7.94 4.34 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 1.15 0.00 0.00 3 S 8.70 4.65 0.00 3.66 3.64 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 0.00 4 Y 8.31 4.71 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 4.78 4.27 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 1.27 0.00 0.00 6 L 8.36 4.76 0.00 1.55 1.51 0.94 0.93 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 7 N 8.47 5.14 0.00 2.71 2.69 0.00 0.00 6.80 7.66 0.00 0.00 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 E 8.19 4.61 0.00 1.87 1.77 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 2.20 2.35 0.00 9 V 8.34 3.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 10 V 8.12 4.40 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 1.04 0.00 0.00 1.00 0.00 0.00 11 P 0.00 4.67 0.00 2.14 2.19 0.00 3.98 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 2.00 0.00 12 L 8.29 4.16 0.00 1.78 1.83 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.04 3.87 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.49 7.81 14 E 8.18 3.97 0.00 1.16 1.39 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 2.17 2.16 0.00 15 F 7.67 4.89 0.00 3.06 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 16 V 7.43 4.46 2.18 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 0.79 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.60 0.00 2.31 2.10 0.00 3.73 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 2.08 2.15 0.00 18 E 8.83 4.00 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 19 W 8.08 4.71 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 4.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 21 R 8.38 4.69 0.00 1.79 1.82 0.00 3.16 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 22 I 7.59 4.49 1.76 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.54 0.80 0.00 0.00 23 G 7.14 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.95 0.00 2.80 2.68 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 0.00 25 S 8.34 4.77 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.55 1.05 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 0.00 0.00 27 T 7.91 4.74 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 1.19 0.00 0.00 28 T 8.26 4.97 4.57 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 1.38 0.00 0.00 29 G 8.61 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 0.00 0.00 0.00 0.00 30 A 9.19 4.22 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 31 E 7.91 4.82 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 32 F 7.29 5.18 0.00 3.09 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 33 A 8.04 4.39 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.25 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 35 H 8.68 4.80 0.00 3.04 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.53 4.66 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 37 V 8.09 4.19 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.14 0.00 0.00 38 L 8.40 4.44 0.00 1.65 1.71 0.89 0.85 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 S 7.61 4.78 0.00 4.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.46 5.49 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.83 4.91 0.00 2.99 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 42 F 7.67 4.35 0.00 2.49 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.14 4.50 0.00 3.04 2.96 0.00 5.72 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 44 S 7.90 4.44 0.00 3.83 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.25 4.45 0.00 1.81 1.74 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 2.14 2.25 0.00 46 L 8.41 4.54 0.00 1.46 1.40 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.57 4.19 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