NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9264 8.3544 109.7358 45.3716 0.0000 172.8320 2 S 4.3613 8.3273 115.6541 55.6900 64.7977 172.6618 3 S 4.2040 8.6605 124.6088 60.4534 62.3350 173.4955 4 G 4.0370 8.8907 113.8227 46.1872 0.0000 171.6132 5 S 4.4498 8.1868 121.3805 55.9496 64.0122 172.8396 6 S 4.5856 8.3738 119.9945 57.3210 64.3089 174.5275 7 G 3.7014 8.8390 114.5744 46.4732 0.0000 173.8822 8 A 4.1052 8.1712 123.7150 50.8610 17.1752 178.1281 9 G 4.0228 8.2531 110.0445 46.6737 0.0000 172.3005 10 V 4.3135 8.0264 120.7256 58.9047 31.0109 173.8403 11 N 5.0801 7.8858 123.7070 51.2429 41.6842 173.4273 12 P 4.1015 0.0000 0.0000 64.9622 31.9938 176.0747 13 Y 4.8636 7.7951 116.7853 55.9527 41.8156 174.2605 14 K 5.0017 8.7638 125.0592 54.2296 34.8326 175.0473 15 C 4.1780 9.2977 128.8269 60.2494 31.2625 174.0764 16 S 4.3108 8.5822 122.1971 61.5354 62.6932 175.8542 17 Q 4.0062 8.0048 118.9385 58.1632 28.6637 176.0812 18 C 5.0586 7.5241 110.7148 56.0911 32.5874 172.6211 19 E 4.3651 8.5272 115.4135 57.0734 29.7438 176.4530 20 K 4.6212 7.8425 118.0241 56.7839 34.7612 176.0731 21 S 5.1227 7.6207 114.9104 57.9135 65.7935 173.1296 22 F 4.9038 9.6049 118.4168 56.5628 43.4745 175.2925 23 S 4.6359 9.1581 114.5315 58.8757 62.7935 174.5883 24 G 4.1755 7.9279 106.4338 42.6647 0.0000 172.8692 25 K 2.4800 7.6799 126.3187 59.5083 32.0151 177.8193 26 L 3.7330 7.8727 119.4649 58.1356 41.9450 179.2508 27 R 3.5414 7.3414 116.8140 59.2200 30.3405 177.9810 28 L 3.2809 7.3268 120.1001 57.6742 42.1012 178.4888 29 L 3.8135 7.7073 118.0216 58.3345 41.5617 179.9809 30 V 3.5584 7.4629 118.2298 65.5106 31.1591 177.4996 31 H 4.3235 7.8273 118.1294 58.7742 29.5836 177.0568 32 Q 4.1303 8.6260 120.0611 58.0519 28.2581 178.5403 33 R 3.9400 7.5960 116.6684 59.4277 29.5219 178.3172 34 M 4.1052 7.5193 118.6487 57.9999 32.4966 176.3726 35 H 4.6137 7.8313 116.3737 56.3424 28.9005 174.8875 36 T 4.6508 7.5655 112.2715 60.2621 70.0518 173.1619 37 R 4.5283 8.1754 124.3451 54.7281 33.4443 174.7137 38 E 4.1722 9.1027 124.3788 57.8230 30.2128 176.2379 39 K 4.7067 7.5627 115.6389 53.9944 35.1313 175.1533 40 P 4.5338 0.0000 0.0000 62.0950 28.1902 175.8776 41 S 3.8333 7.6889 119.8244 61.5255 63.6096 175.5351 42 G 4.1120 7.4671 110.4317 42.7522 0.0000 170.5738 43 P 4.5212 0.0000 0.0000 61.8901 32.1248 176.1913 44 S 4.3308 8.3239 115.4328 58.5097 63.2022 174.0670 45 S 4.5952 8.5719 118.0097 56.9007 65.9978 174.1861 46 G 3.5128 8.8649 108.6333 45.3003 0.0000 173.7018 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 G 8.35 3.93 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 0.00 2 S 8.33 4.36 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.66 4.20 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 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 5 S 8.19 4.45 0.00 3.81 3.77 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 0.00 0.00 0.00 6 S 8.37 4.59 0.00 3.82 3.77 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 0.00 0.00 0.00 7 G 8.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.03 4.31 2.06 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 0.74 0.00 0.00 0.90 0.00 0.00 11 N 7.89 5.08 0.00 2.69 2.75 0.00 0.00 7.22 7.98 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 12 P 0.00 4.10 0.00 0.87 1.84 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 13 Y 7.80 4.86 0.00 3.06 2.90 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 0.00 0.00 0.00 14 K 8.76 5.00 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.35 7.81 15 C 9.30 4.18 0.00 3.25 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 16 S 8.58 4.31 0.00 4.04 3.91 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 17 Q 8.00 4.01 0.00 1.59 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.21 1.95 0.00 18 C 7.52 5.06 0.00 3.10 3.02 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 0.00 0.00 0.00 19 E 8.53 4.37 0.00 2.10 2.09 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 2.27 2.32 0.00 20 K 7.84 4.62 0.00 1.85 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.55 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 21 S 7.62 5.12 0.00 3.96 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 22 F 9.60 4.90 0.00 2.97 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 23 S 9.16 4.64 0.00 3.90 3.97 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 24 G 7.93 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.68 2.48 0.00 1.16 1.46 0.00 1.53 0.00 0.00 1.48 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.35 7.81 26 L 7.87 3.73 0.00 1.59 1.46 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.34 3.54 0.00 1.92 1.51 0.00 3.47 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 28 L 7.33 3.28 0.00 1.70 1.66 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.71 3.81 0.00 1.74 1.64 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.46 3.56 1.99 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 0.56 0.00 0.00 0.87 0.00 0.00 31 H 7.83 4.32 0.00 3.04 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.63 4.13 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 33 R 7.60 3.94 0.00 1.95 2.03 0.00 3.08 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 34 M 7.52 4.11 0.00 1.83 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 35 H 7.83 4.61 0.00 3.17 3.31 0.00 5.60 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.57 4.65 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 R 8.18 4.53 0.00 1.77 1.78 0.00 3.26 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 38 E 9.10 4.17 0.00 1.92 1.95 0.00 0.00 0.00 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 2.28 0.00 39 K 7.56 4.71 0.00 1.86 1.74 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.32 7.81 40 P 0.00 4.53 0.00 2.20 2.13 0.00 3.79 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 41 S 7.69 3.83 0.00 3.88 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 42 G 7.47 4.11 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 0.00 0.00 0.00 43 P 0.00 4.52 0.00 2.19 2.09 0.00 3.77 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 1.99 1.98 0.00 44 S 8.32 4.33 0.00 3.88 3.84 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 45 S 8.57 4.60 0.00 3.91 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 46 G 8.86 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 0.00 0.00 0.00