NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9294 8.3549 109.7367 45.3516 0.0000 174.5943 3 K 3.9115 7.8459 119.1448 54.6961 32.8862 171.0188 4 V 4.4982 8.7183 122.9973 61.3341 35.4910 173.5099 5 Y 5.0790 8.8387 124.0653 56.1128 41.0910 174.6789 6 K 4.5475 8.4375 122.1319 54.4624 35.6984 174.7578 7 K 4.9205 8.4903 124.2851 54.5251 34.8028 175.5665 8 V 4.4957 8.7536 124.1840 61.0143 34.8211 173.5883 9 E 5.0663 8.7935 127.8213 54.7808 30.8460 174.7651 10 L 4.9069 9.3889 126.6118 52.8245 46.1939 175.8837 11 V 4.7246 8.3409 120.3992 61.2305 33.4654 174.9808 12 G 4.4518 8.9844 116.4318 44.9516 0.0000 171.8250 13 T 5.3867 8.0603 112.7123 60.1122 72.1980 172.9577 14 S 4.6594 8.5983 114.8220 57.9872 66.0134 175.7042 15 E 4.5892 9.1081 124.1500 57.7289 30.0724 177.6840 16 E 4.2564 8.4736 118.7616 56.9305 30.4479 176.3816 17 G 3.2706 7.0496 103.9213 44.5316 0.0000 172.9392 18 L 3.8170 7.3894 118.0476 57.7388 41.5074 179.2586 19 E 3.8902 8.0060 117.8008 59.4330 29.3756 179.1731 20 A 3.9292 7.8856 119.9983 54.9440 18.5704 179.3099 21 A 3.9083 7.8688 119.1172 55.3338 18.4648 179.9506 22 I 3.4788 7.7153 118.1733 64.6780 37.1428 178.7455 23 Q 3.8907 8.3176 118.9621 58.7176 28.4622 178.7498 24 A 3.9307 8.2748 121.9218 54.9823 18.3344 179.4752 25 A 3.8520 7.8243 118.6799 55.4514 18.5610 179.7604 26 L 3.8294 7.9287 117.2265 57.6320 41.3849 179.6258 27 A 3.9161 8.0947 120.4349 55.2236 18.5292 179.3954 28 R 3.9117 7.9456 116.9900 59.3392 30.1527 178.4173 29 A 3.9236 8.2036 121.1798 55.1092 18.2064 179.4149 30 R 4.2775 7.6656 112.0129 58.0828 29.7999 178.6222 31 K 4.0988 7.6688 119.6023 58.9693 32.0863 177.6288 32 T 4.3606 7.6881 113.5424 63.7229 70.7575 174.3160 33 L 4.3527 7.9476 120.1668 52.9670 43.2726 175.9645 34 R 4.5122 7.7835 119.6952 55.5336 33.3169 174.8907 35 H 4.1681 8.4727 113.3678 56.9196 25.9943 175.3849 36 L 4.5276 8.0965 118.7363 55.3564 42.2958 175.8882 37 D 5.2105 9.3365 122.8357 55.2354 43.0747 176.2686 38 W 5.5209 7.8719 113.3289 55.0206 32.0459 172.9825 39 F 5.3618 8.3367 114.1375 55.2741 41.1325 173.9433 40 E 4.7089 9.2673 118.6953 54.6280 33.2950 175.1080 41 V 4.2224 8.8052 125.5489 63.0903 31.5905 175.5756 42 K 4.4718 9.0421 127.7786 57.9673 33.6370 176.6311 43 E 4.7762 7.8071 118.0933 55.0988 33.1315 174.0134 44 I 5.0580 8.4472 126.5216 59.7132 40.0740 174.7853 45 R 4.6214 9.0024 123.4619 56.0345 33.3905 173.4637 46 G 4.1349 8.0857 105.1695 46.7522 0.0000 172.6051 47 T 4.7430 8.0157 109.9834 60.0852 71.5145 173.6880 48 I 4.7032 8.2557 123.0890 59.8060 39.8161 175.3208 49 G 4.3290 9.1745 118.6168 44.4109 0.0000 173.6396 *50 E 3.9587 8.8925 113.7319 58.0887 29.8206 173.1898 51 A 4.7789 8.0863 119.2927 52.0644 20.6369 177.0468 52 G 3.9541 7.5822 107.9310 45.5517 0.0000 176.3081 53 V 3.6376 8.1972 125.3030 63.3249 31.5983 175.1499 54 K 4.1724 8.6744 129.5749 58.4186 32.7452 176.3049 55 E 4.7491 7.6815 118.7778 54.5703 33.1826 173.3700 56 Y 4.7111 9.2620 125.3462 57.6464 39.8559 174.5635 57 Q 4.8604 9.7318 122.6169 54.2623 32.5145 174.5875 58 V 4.7233 8.8054 125.8411 60.9801 33.6112 174.7073 59 V 4.3796 8.7163 129.9406 62.4874 32.7381 174.6353 60 L 5.2186 9.2629 129.5469 53.5614 45.9228 174.4051 61 E 4.9603 9.4020 125.9053 55.0105 31.7980 175.0226 62 V 4.4755 9.0382 124.5698 61.0037 34.1955 174.2188 63 G 2.9243 8.1252 116.0277 43.9509 0.0000 172.3044 64 F 5.6744 8.4367 118.5523 54.9813 41.9165 173.6340 65 R 4.0949 8.8575 121.9361 56.2862 30.4420 176.0424 66 L 4.4779 8.3503 126.8333 54.3642 42.5784 176.8375 67 E 4.1470 8.8845 122.1657 56.1299 31.1647 176.5274 68 E 3.4978 8.3015 119.1215 58.4186 28.5447 176.3454 *69 T 4.1354 7.5564 117.2141 61.9197 69.2274 175.6870 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 3.93 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 3 K 7.85 3.91 0.00 1.84 1.44 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.72 4.50 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.84 5.08 0.00 3.00 3.07 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 0.00 0.00 0.00 6 K 8.44 4.55 0.00 1.44 0.74 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.27 7.81 7 K 8.49 4.92 0.00 1.63 1.64 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.13 1.39 7.81 8 V 8.75 4.50 2.26 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 0.83 0.00 0.00 1.10 0.00 0.00 9 E 8.79 5.07 0.00 2.02 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 2.22 2.44 0.00 10 L 9.39 4.91 0.00 1.52 1.47 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.34 4.72 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 8.98 4.45 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 0.00 0.00 0.00 13 T 8.06 5.39 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 1.25 0.00 0.00 14 S 8.60 4.66 0.00 3.91 3.88 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 0.00 0.00 0.00 15 E 9.11 4.59 0.00 2.03 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 2.44 2.34 0.00 16 E 8.47 4.26 0.00 1.96 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 0.00 2.33 2.27 0.00 17 G 7.05 3.27 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 0.00 18 L 7.39 3.82 0.00 1.57 1.64 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.89 0.00 1.99 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 2.38 2.42 0.00 20 A 7.89 3.93 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 21 A 7.87 3.91 1.44 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 0.00 0.00 22 I 7.72 3.48 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.23 0.00 0.00 23 Q 8.32 3.89 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 24 A 8.27 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.93 3.83 0.00 1.61 1.66 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 3.92 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 28 R 7.95 3.91 0.00 1.92 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.20 3.92 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 30 R 7.67 4.28 0.00 1.96 2.02 0.00 3.05 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 31 K 7.67 4.10 0.00 1.78 1.87 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.69 4.36 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 1.11 0.00 0.00 33 L 7.95 4.35 0.00 1.26 0.69 0.47 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.78 4.51 0.00 1.67 1.53 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.47 4.17 0.00 3.66 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.10 4.53 0.00 1.67 1.67 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.34 5.21 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 38 W 7.87 5.52 0.00 3.24 3.17 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 0.00 39 F 8.34 5.36 0.00 3.03 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 40 E 9.27 4.71 0.00 1.99 1.94 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 2.40 2.56 0.00 41 V 8.81 4.22 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.04 4.47 0.00 1.68 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.55 7.81 43 E 7.81 4.78 0.00 2.03 1.75 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 2.30 2.34 0.00 44 I 8.45 5.06 1.92 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 1.44 0.83 0.99 0.00 0.00 45 R 9.00 4.62 0.00 1.79 2.02 0.00 3.01 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 G 8.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.74 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 1.18 0.00 0.00 48 I 8.26 4.70 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.93 0.00 0.00 49 G 9.17 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 3.96 0.00 2.00 1.89 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 2.23 1.88 0.00 51 A 8.09 4.78 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 52 G 7.58 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 0.00 0.00 0.00 53 V 8.20 3.64 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.65 0.00 0.00 54 K 8.67 4.17 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.68 4.75 0.00 2.03 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 56 Y 9.26 4.71 0.00 3.10 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 57 Q 9.73 4.86 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.81 4.72 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 0.94 0.00 0.00 0.94 0.00 0.00 59 V 8.72 4.38 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 0.95 0.00 0.00 1.00 0.00 0.00 60 L 9.26 5.22 0.00 1.68 1.40 1.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.40 4.96 0.00 1.97 1.83 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 2.28 2.27 0.00 62 V 9.04 4.48 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 0.94 0.00 0.00 0.90 0.00 0.00 63 G 8.13 2.92 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 0.00 0.00 0.00 64 F 8.44 5.67 0.00 3.38 3.05 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 0.00 0.00 0.00 0.00 65 R 8.86 4.09 0.00 1.91 1.90 0.00 3.04 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.00 66 L 8.35 4.48 0.00 1.61 1.55 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.88 4.15 0.00 1.99 1.90 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 2.34 2.39 0.00 68 E 8.30 3.50 0.00 2.15 2.27 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 2.22 2.30 0.00 *69 T 7.56 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 * Residues marked with a * may have inaccurate shift predictions.