NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8506 8.3501 109.7345 44.6170 0.0000 173.7561 3 A 4.0213 7.9329 122.1667 51.2787 19.1641 175.3289 4 Q 4.4401 9.2451 124.1111 54.3515 31.5345 172.7373 5 V 4.6608 8.2862 126.0538 61.2327 33.8494 174.5970 6 S 4.7232 8.0430 122.5443 56.5181 67.4792 173.5197 7 S 5.0070 8.4762 117.7794 58.1137 63.4287 174.0802 8 Q 4.3730 9.0841 123.7656 55.1848 29.7739 176.8313 9 K 4.1066 8.6059 124.4485 55.2279 30.7759 175.1319 10 V 3.6893 8.0579 123.7126 62.1320 33.2101 175.2855 11 G 3.4818 9.1066 119.4539 46.6811 0.0000 174.7858 12 A 4.0934 9.1634 123.4493 52.2571 19.3537 177.9167 13 H 4.7402 8.6570 120.8353 54.2005 30.1812 175.2192 14 E 4.1379 8.5371 124.9069 56.1462 30.6998 176.8313 15 N 4.7266 8.4251 121.4128 53.0058 36.6558 174.4476 16 S 4.2965 7.3573 116.1687 60.0887 64.8777 175.2900 *23 S 4.1665 7.4601 113.3774 58.0964 63.1667 172.8603 24 T 4.2617 8.2971 117.8260 61.3627 67.7604 173.4955 25 I 4.6028 8.2864 129.2445 59.7317 40.0441 174.5614 26 N 5.7085 8.7370 122.6286 51.6990 42.6038 172.5935 27 Y 5.0805 8.7305 116.9652 55.8618 41.9860 174.2058 28 T 5.0188 8.6520 116.0668 62.1451 71.7063 173.7392 29 T 4.7108 8.8916 121.4329 61.8266 72.6113 173.0549 30 I 4.6368 8.0234 125.4522 59.2694 40.3448 174.9913 31 N 4.2431 8.6615 125.4511 53.3804 38.9093 174.8443 32 Y 4.5125 8.2008 120.0261 58.5454 38.9784 175.1536 33 Y 4.8666 7.6549 116.2657 55.5580 40.8589 175.6492 34 K 4.0668 8.8819 124.1434 59.5775 32.7666 177.2521 35 D 4.5478 8.1265 120.3076 53.7903 41.1199 177.2787 36 S 4.5415 9.1347 119.0104 60.3603 63.2184 176.2933 37 A 3.9994 8.1549 123.2874 55.3487 18.0760 178.8144 38 S 4.0952 7.8702 110.6413 60.9213 63.1354 174.8946 39 N 4.4677 7.9705 118.5084 52.5814 38.7811 174.8893 40 A 4.3290 8.3157 124.4549 51.6744 18.8990 176.5032 41 A 4.3555 8.2447 121.9064 51.4095 19.6621 178.8917 42 S 4.1579 8.8110 117.7335 59.4745 62.7286 174.7893 43 K 4.1705 7.1732 112.1847 56.0497 30.3340 175.9294 44 Q 4.3731 7.6100 118.9144 54.3249 27.2443 172.9151 45 D 4.6977 7.8627 120.5135 51.9589 43.0190 176.1575 46 Y 4.3848 7.8183 122.4452 56.7218 38.9182 174.7934 47 S 4.8457 8.4987 115.5572 56.7227 65.5810 172.2794 48 Q 4.5984 8.0453 117.5777 54.2533 31.5802 173.6490 49 D 4.5293 8.4949 117.7493 53.2833 41.8503 175.0442 50 P 4.5716 0.0000 0.0000 65.5566 31.2133 178.8938 51 S 4.1702 8.1409 116.6007 61.5445 62.5210 176.7935 52 K 3.7943 7.7978 119.6177 59.0713 32.2045 178.1193 53 F 4.8436 7.9732 118.3265 59.3896 39.7295 177.2422 54 T 4.2009 7.9149 108.0036 63.8282 69.7753 174.3038 55 E 4.8776 8.1683 121.0054 54.6644 30.0788 174.0830 56 P 4.5850 0.0000 0.0000 62.8737 31.8098 177.0238 57 L 4.4146 7.6646 118.0970 54.7433 42.8655 177.2598 58 K 4.0566 8.7186 123.3495 58.9943 32.3550 176.9342 59 D 4.7533 7.5711 119.4799 51.8783 40.2909 174.2016 60 V 3.6734 7.9825 121.8164 62.6010 32.1865 175.3669 61 L 4.6548 8.1436 126.9886 52.5864 43.7968 176.1244 62 I 3.7897 8.1316 122.4109 60.6276 38.3444 176.8396 63 K 3.8933 8.8955 127.7675 60.0845 32.1223 177.6536 64 T 4.0626 7.8947 107.0909 62.4161 69.3782 174.2001 65 A 4.6529 7.5457 125.3408 49.3463 20.9822 174.7926 66 P 4.3002 0.0000 0.0000 62.5789 31.8600 176.4200 67 A 4.1094 8.8801 126.0262 54.4807 18.5219 177.4011 68 L 4.7588 7.6650 113.9813 53.0435 43.8916 176.0560 69 N 4.5032 8.4545 120.1992 53.9655 39.0669 173.7576 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 3.85 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 0.00 0.00 0.00 3 A 7.93 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 9.25 4.44 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 5 V 8.29 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 8.04 4.72 0.00 3.49 3.57 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 0.00 7 S 8.48 5.01 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 9.08 4.37 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.23 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 9 K 8.61 4.11 0.00 1.74 1.75 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 10 V 8.06 3.69 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 0.53 0.00 0.00 0.91 0.00 0.00 11 G 9.11 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.09 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 8.66 4.74 0.00 3.12 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 8.54 4.14 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 8.43 4.73 0.00 2.76 2.79 0.00 0.00 6.90 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 7.36 4.30 0.00 3.86 3.86 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 0.00 0.00 0.00 *23 S 7.46 4.17 0.00 3.87 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 24 T 8.30 4.26 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 8.29 4.60 2.01 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 1.37 0.67 0.99 0.00 0.00 26 N 8.74 5.71 0.00 2.62 2.75 0.00 0.00 6.62 7.48 0.00 0.00 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 8.73 5.08 0.00 2.96 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 8.65 5.02 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 8.89 4.71 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 30 I 8.02 4.64 1.65 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.81 0.00 0.00 31 N 8.66 4.24 0.00 2.64 2.74 0.00 0.00 7.13 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 8.20 4.51 0.00 2.48 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.87 0.00 2.92 2.87 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 34 K 8.88 4.07 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 35 D 8.13 4.55 0.00 2.76 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 9.13 4.54 0.00 4.01 4.15 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 0.00 0.00 0.00 0.00 37 A 8.15 4.00 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 7.87 4.10 0.00 4.04 3.59 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 39 N 7.97 4.47 0.00 2.91 2.74 0.00 0.00 6.71 6.99 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 40 A 8.32 4.33 1.27 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 0.00 0.00 0.00 41 A 8.24 4.36 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 8.81 4.16 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 7.17 4.17 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.53 7.81 44 Q 7.61 4.37 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 45 D 7.86 4.70 0.00 2.58 2.34 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 46 Y 7.82 4.38 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.85 0.00 4.03 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 48 Q 8.05 4.60 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 49 D 8.49 4.53 0.00 2.66 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 50 P 0.00 4.57 0.00 2.39 2.43 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 2.12 2.11 0.00 51 S 8.14 4.17 0.00 3.87 3.94 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 52 K 7.80 3.79 0.00 1.56 1.67 0.00 0.92 0.00 0.00 1.32 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.57 0.21 7.81 53 F 7.97 4.84 0.00 3.09 3.03 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 0.00 0.00 0.00 0.00 54 T 7.91 4.20 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 8.17 4.88 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 56 P 0.00 4.58 0.00 2.18 2.23 0.00 3.78 0.00 0.00 3.64 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 7.66 4.41 0.00 1.65 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.72 4.06 0.00 1.71 1.83 0.00 1.73 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 1.45 7.81 59 D 7.57 4.75 0.00 2.67 2.58 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 60 V 7.98 3.67 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 0.84 0.00 0.00 0.96 0.00 0.00 61 L 8.14 4.65 0.00 1.66 1.56 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.13 3.79 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 1.35 0.91 0.00 0.00 63 K 8.90 3.89 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 7.89 4.06 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 7.55 4.65 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 66 P 0.00 4.30 0.00 2.41 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 8.88 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 7.67 4.76 0.00 1.62 1.58 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.45 4.50 0.00 2.62 2.60 0.00 0.00 6.96 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.