NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4137 8.2893 120.3247 55.0965 33.5750 176.0434 3 T 3.9555 7.5627 110.5161 60.8239 69.6286 174.8529 4 E 3.5142 7.8666 119.4338 57.2805 32.2397 180.0742 5 E 3.6847 7.8136 119.9454 59.7230 29.8385 179.1590 6 M 4.3340 7.9089 115.9694 58.2457 31.8874 177.8683 7 L 4.0059 8.1238 121.7357 58.5006 41.8628 178.5703 8 Y 4.3093 7.9241 116.1204 59.5148 38.5971 177.3175 9 A 3.7749 8.9322 122.6411 53.1892 18.6434 179.1665 10 A 4.0974 8.1513 119.4608 53.0343 18.0232 178.7939 11 L 3.9860 9.0295 126.7280 58.3783 40.7524 177.8487 12 L 3.6943 7.8004 119.3376 58.3793 41.8519 178.5234 13 S 4.1603 8.1266 112.5247 62.0940 62.8870 176.7323 14 F 4.0118 8.3424 124.5940 60.5464 39.0334 177.6662 15 G 3.0544 7.9319 105.0914 47.6029 0.0000 175.6857 16 L 4.1785 7.7408 121.7775 57.0698 41.3322 179.7230 17 I 3.7445 6.9050 118.8493 63.9338 36.8695 178.2095 18 F 4.9268 8.4324 119.0091 60.9288 38.8937 178.5540 19 V 3.6021 7.5256 116.3178 65.7585 31.9993 177.7177 20 G 3.7643 8.2925 105.3451 47.4281 0.0000 175.3429 21 W 4.7688 7.8017 130.1682 61.1437 30.8765 177.3157 22 G 3.2829 9.1680 105.0932 46.9019 0.0000 175.4429 23 L 4.1267 7.7736 119.3045 57.1286 42.0130 179.8842 24 G 4.0407 8.0871 104.5959 48.0752 0.0000 175.5157 25 V 3.7153 8.5456 121.8441 65.5113 31.6383 177.6168 26 L 4.0630 7.8398 119.5729 58.3773 42.0978 178.4516 27 L 4.2549 8.8220 118.3908 56.4479 41.3026 179.0541 28 L 4.0415 9.0025 120.6191 56.8517 41.5565 179.3625 29 K 4.2955 7.3575 114.3742 56.8296 31.4164 177.1947 30 I 4.4734 8.8363 120.2445 61.1102 39.5065 176.4016 31 Q 4.4557 7.8696 114.1853 55.7127 29.4997 176.2242 32 G 4.0799 8.5584 104.5690 47.1255 0.0000 173.3036 33 A 4.6852 6.9826 125.6812 52.6097 19.4381 179.2151 34 E 4.7717 8.5673 117.9983 56.6930 32.9279 178.2426 35 K 4.2881 8.7181 121.5506 57.0362 31.1086 177.2344 36 E 4.2331 9.1412 127.4322 57.6773 30.3702 174.6477 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 M 8.29 4.41 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 3 T 7.56 3.96 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 1.21 0.00 0.00 4 E 7.87 3.51 0.00 2.13 2.10 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 0.00 2.33 2.34 0.00 5 E 7.81 3.68 0.00 1.90 1.97 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 2.27 2.38 0.00 6 M 7.91 4.33 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 7 L 8.12 4.01 0.00 1.90 1.97 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.92 4.31 0.00 3.14 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 9 A 8.93 3.77 1.43 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 0.00 0.00 10 A 8.15 4.10 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 11 L 9.03 3.99 0.00 1.96 2.03 0.97 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.80 3.69 0.00 1.75 1.62 0.38 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.13 4.16 0.00 4.08 4.09 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 14 F 8.34 4.01 0.00 3.05 3.22 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 0.00 15 G 7.93 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 0.00 0.00 0.00 16 L 7.74 4.18 0.00 1.77 1.70 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 I 6.90 3.74 1.59 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.91 0.00 0.00 18 F 8.43 4.93 0.00 3.06 3.10 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 0.00 0.00 0.00 0.00 19 V 7.53 3.60 2.22 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 0.84 0.00 0.00 0.94 0.00 0.00 20 G 8.29 3.76 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 0.00 0.00 0.00 21 W 7.80 4.77 0.00 3.38 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 22 G 9.17 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 0.00 0.00 0.00 23 L 7.77 4.13 0.00 1.79 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.09 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 25 V 8.55 3.72 1.96 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 0.89 0.00 0.00 0.77 0.00 0.00 26 L 7.84 4.06 0.00 1.67 1.78 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.82 4.25 0.00 1.75 1.69 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 L 9.00 4.04 0.00 1.85 1.69 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.36 4.30 0.00 1.73 1.77 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.39 7.81 30 I 8.84 4.47 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.90 0.00 0.00 31 Q 7.87 4.46 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 32 G 8.56 4.08 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 0.00 0.00 0.00 33 A 6.98 4.69 0.99 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 34 E 8.57 4.77 0.00 1.94 1.87 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 2.24 2.37 0.00 35 K 8.72 4.29 0.00 1.71 1.28 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.52 7.81 36 E 9.14 4.23 0.00 1.89 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 2.20 2.22 0.00