NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8450 8.3193 115.3151 57.9461 64.6369 174.6184 2 W 4.1788 8.7814 124.9983 56.9263 30.7413 176.2709 3 D 4.1917 7.8364 110.9497 51.7462 46.0024 178.5351 4 V 4.3656 6.9194 110.2816 60.0190 32.8988 172.3728 5 I 3.6113 7.8711 133.0817 62.6007 37.3720 174.0556 6 K 4.0923 8.0188 123.6679 57.1445 31.7036 177.1583 7 H 4.8123 6.5704 115.2441 54.0856 33.3149 171.7690 8 P 5.0027 0.0000 0.0000 63.3193 31.9180 176.1713 9 H 4.6925 8.7989 122.9092 54.4378 28.6363 174.6654 10 V 4.0002 8.1971 123.3711 61.4067 31.5338 175.1317 11 T 4.5980 7.7212 121.2353 60.0844 70.1507 174.9111 12 E 3.5522 7.7243 125.4295 58.9301 29.9183 179.4456 13 K 4.2348 9.1419 117.2274 59.5688 32.1125 180.1079 14 A 4.0481 7.3531 118.8461 56.1023 19.9750 179.0633 15 M 3.5925 8.7404 114.7974 58.5766 32.3869 178.8589 16 N 3.9487 8.4932 117.7272 56.3930 37.5165 176.2348 17 D 4.6339 8.4273 119.2224 58.4165 40.6476 178.9419 18 M 4.8853 8.1437 123.2576 58.2016 32.4555 178.1441 19 D 4.3193 7.7835 118.3857 57.4886 40.9886 178.4787 20 F 4.2285 6.7757 114.8255 60.7700 38.3468 174.5716 *22 N 4.8977 7.8648 113.4284 55.3711 39.9594 172.3780 23 K 4.4307 8.0906 114.0603 58.6684 33.6319 172.7507 24 L 4.5983 7.5212 118.4148 54.9946 45.9211 173.6213 25 Q 4.6373 7.2774 120.6826 54.2841 32.2152 174.8057 26 F 4.9732 8.8037 120.3063 56.5105 44.5159 172.9344 27 A 4.1411 8.7664 122.5472 51.9861 18.9347 177.1320 28 V 4.0240 8.3638 116.0176 61.6645 33.8601 175.7617 29 D 3.8680 8.3872 121.0138 55.9704 40.7339 176.7535 30 D 5.0688 7.9486 128.8816 54.5925 41.0895 179.1751 31 R 4.1199 7.8790 122.7274 54.8073 29.9772 175.1626 32 A 4.1362 8.4198 124.7778 54.1632 18.5654 174.7913 33 S 4.5247 7.8872 107.4214 58.7385 66.2869 176.0642 34 K 3.9169 8.8128 116.7678 60.0600 33.7223 179.0322 35 G 3.9585 9.0374 101.2927 46.8928 0.0000 175.6494 36 E 3.7919 9.0054 122.5891 59.2909 30.9074 178.7606 37 V 3.4688 8.1228 120.1544 65.2803 31.6040 177.5974 38 A 3.9643 8.3096 120.3924 56.0567 18.1545 178.3037 39 D 4.3318 9.0507 118.5908 55.8409 40.6577 179.1978 40 A 4.1244 8.3620 122.3106 56.5567 18.8896 179.0959 41 V 3.2497 8.0944 116.0943 66.1436 31.1007 177.5416 42 E 4.0352 8.6651 120.8584 59.6995 29.6333 179.2751 43 E 4.1014 8.3757 118.3704 59.3695 29.3134 179.2859 44 Q 4.0934 7.9222 118.2799 58.5121 30.6849 176.6103 45 Y 4.2589 8.1886 125.6445 57.6236 37.6609 179.2814 46 D 3.7786 8.3215 120.7857 53.7756 42.6004 175.3845 47 V 3.5898 8.0752 117.9778 61.7687 33.2399 176.4846 48 T 4.3051 8.0499 112.3308 60.8254 70.3599 176.0723 49 V 4.0950 8.2012 120.5201 62.0494 30.5849 176.6961 50 E 4.3191 8.1141 124.5862 56.9022 29.1280 180.1105 51 Q 4.8513 7.7272 128.8312 55.2429 33.0594 173.2361 52 V 5.5397 7.8869 117.8270 62.9876 34.6216 172.3947 53 N 5.3462 8.5798 121.0825 52.3221 43.4047 173.1883 54 T 5.0626 8.1924 108.5930 61.1663 71.6028 172.2576 55 Q 4.5590 9.2456 123.7431 55.0056 33.1039 173.0506 56 N 5.3754 9.6631 119.6601 53.2476 39.6190 174.1985 57 T 4.3710 8.2222 119.2165 62.0144 69.4802 171.6184 58 M 4.2688 8.3784 124.2118 57.0993 31.8893 174.8591 59 D 4.5912 8.6187 132.1566 55.3807 40.8693 176.1113 60 G 3.5701 7.3125 112.5725 44.9104 0.0000 173.9353 61 E 4.2626 7.0909 121.0706 55.6667 30.5540 175.9708 62 K 4.6784 8.5934 122.3979 54.8001 35.2909 174.8492 63 K 5.2488 9.0900 124.7054 54.6804 34.9286 175.2100 64 A 5.2423 9.1628 126.1078 49.9896 23.3110 174.6060 65 V 5.1176 8.8422 118.5373 60.0974 34.7419 174.3864 66 V 4.8215 8.8224 128.1155 61.1995 33.9548 174.3367 67 R 4.5399 9.0991 129.6040 55.8638 31.2341 175.7848 68 L 4.0295 8.2350 126.0402 53.8176 43.1626 176.7061 69 S 4.6407 8.5684 111.7406 58.0188 62.8300 174.2286 70 E 4.1801 8.4950 117.2213 57.1278 28.0468 173.7552 71 D 4.7757 7.6002 116.7915 54.3739 41.1597 178.7792 72 D 4.8696 8.0469 114.2836 52.7070 41.0008 174.5258 73 D 5.5215 8.2678 117.2119 56.4294 47.3800 176.1381 *75 Q 4.0392 7.8753 117.9467 56.5169 29.3263 175.1492 76 E 2.7794 8.0562 118.2819 57.6766 31.2150 177.1358 77 V 3.3691 8.8739 127.0639 64.2749 32.0487 175.4850 78 A 4.2659 7.6272 129.1935 51.4305 18.4562 176.3226 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 S 8.32 4.85 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.78 4.18 0.00 3.68 2.19 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 0.00 3 D 7.84 4.19 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.92 4.37 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 0.57 0.00 0.00 0.81 0.00 0.00 5 I 7.87 3.61 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.32 0.67 0.00 0.00 6 K 8.02 4.09 0.00 1.67 2.17 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.41 7.81 7 H 6.57 4.81 0.00 3.24 3.37 0.00 5.51 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 5.00 0.00 2.20 2.24 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 9 H 8.80 4.69 0.00 3.05 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.20 4.00 2.08 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 0.75 0.00 0.00 0.99 0.00 0.00 11 T 7.72 4.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 12 E 7.72 3.55 0.00 2.11 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 2.39 2.51 0.00 13 K 9.14 4.23 0.00 1.82 1.97 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 14 A 7.35 4.05 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 15 M 8.74 3.59 0.00 1.98 2.18 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 2.62 2.55 0.00 16 N 8.49 3.95 0.00 2.60 2.97 0.00 0.00 6.62 7.59 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 17 D 8.43 4.63 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 8.14 4.89 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 19 D 7.78 4.32 0.00 2.48 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 20 F 6.78 4.23 0.00 3.27 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 *22 N 7.86 4.90 0.00 2.90 2.98 0.00 0.00 7.50 7.61 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 23 K 8.09 4.43 0.00 1.93 2.23 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.49 7.81 24 L 7.52 4.60 0.00 2.05 1.43 1.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.28 4.64 0.00 1.65 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.04 2.44 0.00 26 F 8.80 4.97 0.00 2.76 3.08 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 27 A 8.77 4.14 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 28 V 8.36 4.02 2.05 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 0.93 0.00 0.00 1.02 0.00 0.00 29 D 8.39 3.87 0.00 2.62 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.95 5.07 0.00 2.81 2.75 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 0.00 0.00 0.00 31 R 7.88 4.12 0.00 1.78 1.80 0.00 3.39 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 32 A 8.42 4.14 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 33 S 7.89 4.52 0.00 3.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 3.92 0.00 1.82 1.87 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.42 7.81 35 G 9.04 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 0.00 0.00 0.00 36 E 9.01 3.79 0.00 2.19 2.17 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 2.35 2.42 0.00 37 V 8.12 3.47 2.46 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 1.04 0.00 0.00 0.91 0.00 0.00 38 A 8.31 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.05 4.33 0.00 2.82 2.76 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 40 A 8.36 4.12 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 41 V 8.09 3.25 2.24 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 0.97 0.00 0.00 0.86 0.00 0.00 42 E 8.67 4.04 0.00 2.22 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 0.00 2.34 2.35 0.00 43 E 8.38 4.10 0.00 2.07 1.98 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 2.32 2.36 0.00 44 Q 7.92 4.09 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.22 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 45 Y 8.19 4.26 0.00 2.88 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 46 D 8.32 3.78 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.59 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.21 0.00 0.00 48 T 8.05 4.31 4.36 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 1.22 0.00 0.00 49 V 8.20 4.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 50 E 8.11 4.32 0.00 2.26 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 2.40 2.43 0.00 51 Q 7.73 4.85 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 52 V 7.89 5.54 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 0.93 0.00 0.00 0.98 0.00 0.00 53 N 8.58 5.35 0.00 2.63 2.63 0.00 0.00 6.43 7.05 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 54 T 8.19 5.06 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 1.23 0.00 0.00 55 Q 9.25 4.56 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 56 N 9.66 5.38 0.00 2.72 2.57 0.00 0.00 6.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.22 4.37 4.56 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 0.00 0.00 0.00 1.21 0.00 0.00 58 M 8.38 4.27 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 59 D 8.62 4.59 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.31 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 0.00 0.00 0.00 61 E 7.09 4.26 0.00 2.11 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 0.00 2.33 2.34 0.00 62 K 8.59 4.68 0.00 2.08 1.79 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.40 7.81 63 K 9.09 5.25 0.00 1.71 1.70 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 64 A 9.16 5.24 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 65 V 8.84 5.12 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 1.34 0.00 0.00 0.93 0.00 0.00 66 V 8.82 4.82 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 67 R 9.10 4.54 0.00 1.95 1.81 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 68 L 8.23 4.03 0.00 1.74 1.68 1.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.57 4.64 0.00 4.44 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 70 E 8.50 4.18 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 71 D 7.60 4.78 0.00 2.59 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.05 4.87 0.00 2.71 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 73 D 8.27 5.52 0.00 2.74 2.83 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 *75 Q 7.88 4.04 0.00 2.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 76 E 8.06 2.78 0.00 1.94 1.69 0.00 0.00 0.00 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 77 V 8.87 3.37 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 0.85 0.00 0.00 0.93 0.00 0.00 78 A 7.63 4.27 1.36 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 * Residues marked with a * may have inaccurate shift predictions.