NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7792 8.3501 109.7326 44.5493 0.0000 173.5103 3 A 3.9325 7.9653 122.6007 51.4822 18.9603 175.3548 4 Q 4.2799 9.3665 125.8743 54.9875 31.0640 172.8038 5 V 4.5751 8.2715 126.7323 61.3099 33.2914 174.6727 6 S 4.7716 8.1129 122.8030 56.6222 67.3460 173.1230 7 S 5.2066 8.5163 117.0828 58.0130 63.8666 174.2770 8 Q 4.1980 9.1512 123.8633 55.4316 29.4834 176.9795 9 K 4.0867 8.6108 125.1273 55.2621 30.7074 174.8141 10 V 3.6885 8.0008 122.8944 62.0244 32.8089 175.3359 11 G 3.3354 9.0289 119.8359 46.9845 0.0000 174.2090 12 A 4.0299 9.0620 124.4031 52.4179 19.3177 177.9323 13 H 4.6842 8.6397 120.7333 54.4236 30.0493 175.3892 14 E 4.1163 8.5610 124.8852 56.2938 30.6280 176.8577 15 N 4.7184 8.4169 121.3561 52.8591 36.5910 174.1362 16 S 4.3449 7.2929 115.3755 59.9197 65.2985 174.9708 *23 S 4.1698 7.4574 114.2698 58.2365 63.2014 172.9089 24 T 4.3422 8.3005 118.5390 61.1057 68.0579 173.7028 25 I 4.5944 8.2736 129.1777 59.7382 39.7708 174.5292 26 N 5.7106 8.8354 123.2428 51.7733 41.6211 173.4461 27 Y 4.9881 8.9201 118.0327 55.7491 41.7167 174.2520 28 T 4.9523 8.6197 117.2563 62.3577 71.1256 174.0365 29 T 4.7170 8.6818 120.9558 61.8697 72.7534 173.0806 30 I 4.6622 7.9358 125.1542 59.4009 40.6897 174.7539 31 N 4.2764 8.6089 125.1450 53.1819 38.8901 174.7959 32 Y 4.4285 8.1728 120.7012 58.9259 38.7593 175.1493 33 Y 4.9275 7.5744 116.1063 55.5588 40.8602 175.6761 34 K 4.0827 8.8401 123.9088 59.3167 32.8696 177.0946 35 D 4.6689 8.0940 119.9788 53.1880 41.4629 177.1220 36 S 4.3909 9.1865 118.8052 60.5421 63.0339 176.4216 37 A 3.9786 8.0669 122.7130 55.1334 18.1510 178.7220 38 S 4.1417 7.9544 110.9703 60.9934 62.7514 174.8630 39 N 4.5164 8.1308 118.2035 52.6254 38.7961 174.7212 40 A 4.1104 8.3133 123.8277 51.7315 19.1699 176.6339 41 A 4.4411 8.2408 122.0720 51.0500 19.5403 178.7112 42 S 4.1221 8.8368 118.2453 59.6365 62.7207 174.8535 43 K 4.2249 7.1561 112.6978 55.9772 30.1304 175.7553 44 Q 4.4437 7.4947 119.4811 54.2856 27.4047 173.7853 45 D 4.8786 7.9322 121.2716 52.0022 43.5708 175.4026 46 Y 4.5222 7.8507 121.5555 56.3709 39.1670 175.2987 47 S 4.7580 8.5454 117.6710 57.0873 65.0571 172.4161 48 Q 4.6616 8.0811 117.9796 53.9077 31.7038 174.0533 49 D 4.4873 8.4984 117.9285 53.4883 41.7057 174.9663 50 P 4.5926 0.0000 0.0000 65.1549 31.3794 178.8987 51 S 4.0534 7.9782 116.5605 61.6707 62.5645 176.8058 52 K 3.9258 7.7941 119.0410 58.9299 32.1973 177.9197 53 F 4.8412 7.7297 118.2590 59.4803 40.2691 177.6744 54 T 4.2499 7.9728 107.4953 63.4814 70.3543 174.5760 55 E 4.7872 8.5052 120.9920 54.6313 30.1658 174.4412 56 P 4.7647 0.0000 0.0000 62.8099 31.8882 177.2450 57 L 4.2771 8.0084 119.1385 55.2765 42.5343 177.6630 58 K 3.9639 8.7473 123.7303 59.2305 32.3115 177.0152 59 D 4.6647 7.6796 120.9427 52.3740 40.0735 175.2693 60 V 3.7842 8.0655 123.7198 62.2785 32.2397 175.3294 61 L 4.7298 8.1340 126.7524 52.4563 44.1261 176.0453 62 I 3.8228 8.1446 122.8421 60.5053 38.4033 176.8246 63 K 3.8816 8.8466 127.6481 59.7785 32.1335 177.3876 64 T 4.1668 7.8184 107.0620 61.8893 69.5214 174.4924 65 A 4.4872 7.6497 125.6537 49.8912 20.1692 175.0652 66 P 4.3279 0.0000 0.0000 62.4394 31.8135 176.6211 67 A 4.0965 8.8195 126.1822 54.1343 18.5681 177.3530 68 L 4.7650 7.6062 114.6664 53.0004 44.1054 175.9574 69 N 4.4302 8.5342 120.6143 54.1205 38.7675 173.7425 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 G 8.35 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 0.00 0.00 0.00 3 A 7.97 3.93 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 4 Q 9.37 4.28 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 5 V 8.27 4.58 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.87 0.00 0.00 6 S 8.11 4.77 0.00 3.37 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 5.21 0.00 3.80 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 8 Q 9.15 4.20 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.26 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 9 K 8.61 4.09 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 10 V 8.00 3.69 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.92 0.00 0.00 11 G 9.03 3.34 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 0.00 0.00 0.00 0.00 12 A 9.06 4.03 1.25 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 13 H 8.64 4.68 0.00 3.13 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.56 4.12 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 15 N 8.42 4.72 0.00 2.76 2.78 0.00 0.00 6.87 7.57 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 16 S 7.29 4.34 0.00 3.86 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 *23 S 7.46 4.17 0.00 3.87 3.82 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 0.00 0.00 0.00 24 T 8.30 4.34 4.26 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 1.22 0.00 0.00 25 I 8.27 4.59 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 1.02 0.00 0.00 26 N 8.84 5.71 0.00 2.60 2.75 0.00 0.00 6.80 7.46 0.00 0.00 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 Y 8.92 4.99 0.00 2.95 2.94 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 28 T 8.62 4.95 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 1.18 0.00 0.00 29 T 8.68 4.72 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 30 I 7.94 4.66 1.59 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.76 0.00 0.00 31 N 8.61 4.28 0.00 2.63 2.73 0.00 0.00 7.14 7.46 0.00 0.00 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 Y 8.17 4.43 0.00 2.41 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.57 4.93 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.84 4.08 0.00 1.77 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 35 D 8.09 4.67 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.19 4.39 0.00 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.07 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.95 4.14 0.00 4.08 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 39 N 8.13 4.52 0.00 2.91 2.75 0.00 0.00 6.71 7.19 0.00 0.00 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 A 8.31 4.11 1.28 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 41 A 8.24 4.44 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 42 S 8.84 4.12 0.00 3.89 3.89 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 43 K 7.16 4.22 0.00 1.94 1.81 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.53 7.81 44 Q 7.49 4.44 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 45 D 7.93 4.88 0.00 2.60 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 4.52 0.00 3.00 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 47 S 8.55 4.76 0.00 4.05 3.95 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 0.00 0.00 0.00 48 Q 8.08 4.66 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 49 D 8.50 4.49 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.59 0.00 2.39 2.41 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 51 S 7.98 4.05 0.00 3.78 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 52 K 7.79 3.93 0.00 1.53 1.66 0.00 0.91 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.60 0.21 7.81 53 F 7.73 4.84 0.00 3.13 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 54 T 7.97 4.25 4.28 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 1.29 0.00 0.00 55 E 8.51 4.79 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 56 P 0.00 4.76 0.00 2.17 2.12 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 57 L 8.01 4.28 0.00 1.61 1.63 0.92 0.83 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 58 K 8.75 3.96 0.00 1.71 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.68 4.66 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.07 3.78 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 0.83 0.00 0.00 0.96 0.00 0.00 61 L 8.13 4.73 0.00 1.65 1.54 0.92 0.87 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 62 I 8.14 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.91 0.00 0.00 63 K 8.85 3.88 0.00 1.90 1.97 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 T 7.82 4.17 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 65 A 7.65 4.49 1.30 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 66 P 0.00 4.33 0.00 2.40 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 A 8.82 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 68 L 7.61 4.76 0.00 1.61 1.57 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.53 4.43 0.00 2.63 2.61 0.00 0.00 7.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.