NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2173 8.2649 123.5821 52.0735 20.4477 178.1140 2 C 3.5861 8.8992 109.8880 58.4830 25.0587 170.8566 3 S 4.6243 7.7168 114.4875 56.7973 66.5244 174.0926 4 G 3.8093 8.5726 107.0523 47.0807 0.0000 174.7360 5 N 4.5358 7.8707 117.7503 55.3906 38.6614 177.2399 6 K 3.9542 8.1736 121.1955 59.2184 32.2458 178.7243 7 A 4.0438 7.9661 120.5839 54.6691 18.3678 179.2854 8 A 3.9757 7.8671 119.1201 54.8444 18.6941 179.1009 9 L 3.8354 7.5711 118.9174 58.4383 42.2125 178.9627 10 L 3.9657 7.8630 118.5547 58.2453 41.6664 179.4290 11 D 4.3536 8.1043 118.3518 57.3843 40.5319 178.6133 12 Q 4.3087 8.2486 120.6210 58.6730 29.3518 178.1252 13 I 3.8212 7.9015 120.7230 64.7219 37.0034 178.3889 14 R 3.9401 7.6616 117.1857 59.3841 30.0570 178.3700 15 E 4.1276 8.0066 118.4104 61.4306 29.6836 175.7077 16 G 3.7767 7.7279 100.3885 45.1761 0.0000 172.3896 17 A 4.8200 7.8229 125.7584 51.8373 20.2594 177.2489 18 Q 4.4844 7.8932 119.8827 55.2072 30.9157 175.1576 19 L 4.5781 8.1175 117.0117 53.4704 45.6046 175.8348 20 K 3.8144 8.7137 122.0249 56.9186 32.5670 176.2001 21 K 4.2264 8.5041 122.2600 55.7954 32.8983 176.5472 22 V 4.4035 8.0259 123.9551 60.9317 34.2430 174.4998 *33 G 3.9793 8.3808 106.2230 45.6269 0.0000 175.1738 34 R 3.8951 7.8533 119.3548 59.3787 30.0676 178.0982 35 D 4.3973 8.0663 118.2152 56.8720 40.8841 178.3270 36 A 4.0302 7.8668 121.0903 54.6269 18.6229 178.9194 37 L 3.8354 7.5710 118.9153 58.4373 42.2111 178.9620 38 L 3.9657 7.8628 118.5564 58.2451 41.6659 179.4281 39 D 4.3533 8.1040 118.3512 57.3858 40.5324 178.6138 40 Q 4.1948 8.2498 120.6173 58.6501 29.3501 178.1259 41 I 3.8211 7.9020 120.7232 64.7213 37.0034 178.3872 42 R 3.9401 7.6622 117.1929 59.4496 29.9215 178.5403 43 Q 4.1844 7.9152 117.8681 60.6270 28.8833 175.6900 44 G 3.8177 7.5813 101.3406 45.5561 0.0000 172.6602 45 I 4.0102 7.5498 116.9044 61.2744 40.3282 173.7107 46 Q 4.5683 8.5427 121.5073 54.6578 30.3226 175.4822 47 L 4.6858 7.9917 119.1767 52.5746 44.8265 176.7081 48 K 3.8032 8.8758 122.0926 56.8089 32.4476 176.5703 49 K 4.1894 8.5505 123.1837 56.1910 32.8727 177.2336 50 V 3.9728 8.2183 121.3226 63.0330 31.6640 175.1006 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 A 8.26 4.22 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 2 C 8.90 3.59 0.00 3.25 3.13 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 3 S 7.72 4.62 0.00 3.93 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 4 G 8.57 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 7.87 4.54 0.00 2.78 2.87 0.00 0.00 6.60 7.09 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 6 K 8.17 3.95 0.00 1.84 1.89 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 A 7.97 4.04 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 8 A 7.87 3.98 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 9 L 7.57 3.84 0.00 1.74 1.87 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.86 3.97 0.00 1.94 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.10 4.35 0.00 2.84 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 12 Q 8.25 4.31 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 13 I 7.90 3.82 2.05 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 1.52 1.03 0.91 0.00 0.00 14 R 7.66 3.94 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 15 E 8.01 4.13 0.00 2.28 2.02 0.00 0.00 0.00 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 2.60 0.00 16 G 7.73 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 17 A 7.82 4.82 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 18 Q 7.89 4.48 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 19 L 8.12 4.58 0.00 1.58 1.52 0.92 0.83 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 20 K 8.71 3.81 0.00 1.74 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 21 K 8.50 4.23 0.00 1.74 1.74 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 22 V 8.03 4.40 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 0.81 0.00 0.00 0.93 0.00 0.00 *33 G 8.38 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.85 3.90 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 35 D 8.07 4.40 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 4.03 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 37 L 7.57 3.84 0.00 1.74 1.87 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.86 3.97 0.00 2.04 1.72 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.10 4.35 0.00 2.84 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 40 Q 8.25 4.19 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 41 I 7.90 3.82 2.05 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 1.52 1.03 0.91 0.00 0.00 42 R 7.66 3.94 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 43 Q 7.92 4.18 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.89 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 44 G 7.58 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 0.00 0.00 0.00 45 I 7.55 4.01 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 1.41 0.34 0.91 0.00 0.00 46 Q 8.54 4.57 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 47 L 7.99 4.69 0.00 1.57 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.88 3.80 0.00 1.73 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 49 K 8.55 4.19 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 50 V 8.22 3.97 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 0.79 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.