NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8352 8.3501 109.7334 44.5577 0.0000 173.9229 3 A 4.0158 7.9723 122.3083 51.6010 19.0724 175.0340 4 Q 4.4710 9.3611 124.2771 54.1774 31.9068 172.6444 5 V 4.6630 8.3256 126.2377 61.2360 33.5538 174.6570 6 S 4.7562 8.0825 122.8427 56.4223 67.2993 173.5009 7 S 4.9747 8.5776 118.2923 58.6231 63.3214 174.3089 8 Q 4.1810 9.2211 124.4932 55.7030 29.4350 176.9539 9 K 4.0889 8.5900 124.7316 55.0514 30.8507 175.1536 10 V 3.6555 8.0494 123.7384 62.1284 32.6815 175.4601 11 G 3.3572 8.9916 119.6723 47.0219 0.0000 173.9894 12 A 4.0616 8.9294 126.6003 52.0358 19.1332 178.1235 13 H 4.5145 8.7246 120.9323 54.9369 29.5958 175.4352 14 E 4.0285 8.7679 125.4225 56.5254 29.8803 177.8692 15 N 4.6852 8.7308 119.6966 54.2210 38.0725 176.9420 16 S 4.0773 7.9970 115.6007 61.3255 63.2477 174.5389 *23 S 4.1821 7.5425 113.7099 58.2144 63.1004 172.6925 24 T 4.3990 8.3191 119.9053 61.0664 68.4067 173.7746 25 I 4.6338 8.1911 128.6650 59.7583 40.0163 174.2805 26 N 5.7714 8.7862 122.0751 51.6598 42.2075 173.0704 27 Y 5.0139 8.8927 117.5911 55.7122 41.8332 174.2649 28 T 5.0823 8.6405 116.6651 62.1835 71.4516 173.7391 29 T 4.7509 8.8776 121.6626 61.8265 72.5192 173.0681 30 I 4.6971 7.9628 125.0046 59.4560 40.7838 174.6881 31 N 4.2801 8.5977 124.7719 53.0544 38.9716 174.7654 32 Y 4.5007 8.0670 120.1732 58.5802 38.8021 175.0876 33 Y 4.9181 7.5264 116.6034 55.5514 41.2826 175.5553 34 K 4.0397 8.9112 124.3919 59.3940 32.7632 176.8904 35 D 4.6261 8.1100 120.1804 53.3353 41.0446 177.0744 36 S 4.3303 9.1398 119.3524 60.3659 63.0801 176.4011 37 A 3.9922 8.1177 123.0136 55.2886 18.1010 178.7746 38 S 4.1366 8.0497 110.8542 60.9099 63.3760 174.8771 39 N 4.4682 8.0730 118.3163 52.6598 38.7641 174.8781 40 A 4.1867 8.3248 124.0772 51.8084 18.7407 176.4475 41 A 4.4327 8.2559 121.6908 51.0078 19.4086 178.3320 42 S 4.3126 8.9735 118.5861 59.9435 62.4478 174.4740 43 K 4.1555 7.1719 116.4591 56.1416 30.4883 176.0031 44 Q 4.5169 7.3780 115.3363 54.4776 27.5993 174.6096 45 D 4.6153 7.5633 119.3367 52.3900 42.7543 176.4898 46 Y 4.3417 7.8457 122.7791 56.8548 39.0436 175.7996 47 S 4.8729 8.3095 116.7393 57.7361 65.6903 172.3870 48 Q 4.5836 8.0560 116.4948 55.3538 30.9388 173.0520 49 D 4.4936 8.4540 118.6213 53.4622 41.8433 175.0507 50 P 4.5914 0.0000 0.0000 65.1557 31.3636 178.6551 51 S 4.2157 8.3793 117.0619 61.3686 62.5196 176.7477 52 K 3.7913 7.8008 119.7133 59.0999 32.1129 178.2432 53 F 4.7959 7.8128 118.2221 59.8060 39.6993 178.0017 54 T 4.2248 7.9215 108.0811 63.6076 69.7991 174.3240 55 E 4.8156 8.4579 122.5825 54.8042 30.6137 174.7215 56 P 4.7163 0.0000 0.0000 62.7708 31.4876 176.7118 57 L 4.3274 7.9736 119.6851 54.6850 42.5460 177.1170 58 K 3.9466 8.8754 124.6908 59.2448 32.1656 176.7715 59 D 4.6563 7.6272 120.2853 52.2192 39.9044 174.6630 60 V 3.6811 8.0130 122.6169 62.5645 31.9839 175.5903 61 L 4.6163 8.1861 127.0655 53.0153 43.6710 175.8035 62 I 4.0620 8.0113 121.4122 59.9196 38.6259 176.8498 63 K 3.8082 8.8377 127.4984 59.9048 32.1240 177.4657 64 T 4.1393 7.8031 107.1916 62.2835 69.5232 174.7142 65 A 4.3830 7.8154 125.6634 50.1847 19.6064 175.2371 66 P 4.2808 0.0000 0.0000 62.5750 31.8428 176.2020 67 A 4.1064 8.9213 126.5424 54.6176 18.4248 177.2708 68 L 4.6966 7.6905 113.9398 53.0698 43.5845 176.1281 69 N 4.5448 8.5011 120.3900 53.8020 39.2583 173.6883 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 3.84 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 0.00 0.00 0.00 3 A 7.97 4.02 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 9.36 4.47 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 5 V 8.33 4.66 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 6 S 8.08 4.76 0.00 3.30 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.97 0.00 3.80 3.85 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 8 Q 9.22 4.18 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.20 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 9 K 8.59 4.09 0.00 1.73 1.75 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 10 V 8.05 3.66 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.91 0.00 0.00 11 G 8.99 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.06 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 13 H 8.72 4.51 0.00 3.13 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.77 4.03 0.00 2.00 1.84 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 2.49 2.36 0.00 15 N 8.73 4.69 0.00 2.76 2.84 0.00 0.00 7.02 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 8.00 4.08 0.00 3.87 3.90 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 *23 S 7.54 4.18 0.00 3.87 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 24 T 8.32 4.40 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 8.19 4.63 1.90 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 1.36 0.48 0.99 0.00 0.00 26 N 8.79 5.77 0.00 2.57 2.76 0.00 0.00 6.75 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 8.89 5.01 0.00 2.95 2.95 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 28 T 8.64 5.08 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 1.19 0.00 0.00 29 T 8.88 4.75 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 1.18 0.00 0.00 30 I 7.96 4.70 1.69 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.77 0.00 0.00 31 N 8.60 4.28 0.00 2.63 2.72 0.00 0.00 7.09 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 8.07 4.50 0.00 2.44 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.92 0.00 2.92 2.82 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 34 K 8.91 4.04 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 35 D 8.11 4.63 0.00 2.83 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 36 S 9.14 4.33 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 8.12 3.99 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 8.05 4.14 0.00 4.00 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 39 N 8.07 4.47 0.00 2.87 2.75 0.00 0.00 6.71 7.15 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 40 A 8.32 4.19 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 8.26 4.43 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 8.97 4.31 0.00 3.87 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 43 K 7.17 4.16 0.00 2.08 1.82 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.53 7.81 44 Q 7.38 4.52 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 45 D 7.56 4.62 0.00 2.60 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 4.34 0.00 3.06 3.01 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 0.00 0.00 0.00 0.00 47 S 8.31 4.87 0.00 4.05 3.99 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 48 Q 8.06 4.58 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 49 D 8.45 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 2.40 2.43 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 51 S 8.38 4.22 0.00 3.87 3.96 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 0.00 0.00 0.00 0.00 52 K 7.80 3.79 0.00 1.54 1.66 0.00 0.88 0.00 0.00 1.29 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.50 0.21 7.81 53 F 7.81 4.80 0.00 3.14 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 54 T 7.92 4.22 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 8.46 4.82 0.00 1.97 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 2.23 2.25 0.00 56 P 0.00 4.72 0.00 2.17 2.12 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 57 L 7.97 4.33 0.00 1.62 1.63 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.88 3.95 0.00 1.71 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 59 D 7.63 4.66 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.68 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 0.97 0.00 0.00 61 L 8.19 4.62 0.00 1.67 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.01 4.06 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 1.58 0.91 0.00 0.00 63 K 8.84 3.81 0.00 1.90 1.98 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 64 T 7.80 4.14 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 7.82 4.38 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 4.28 0.00 2.40 2.09 0.00 3.79 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 8.92 4.11 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 7.69 4.70 0.00 1.63 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.50 4.54 0.00 2.62 2.61 0.00 0.00 6.97 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.