NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3201 8.0427 122.7474 55.0105 44.0617 174.9946 2 Q 5.3592 8.5584 125.4327 51.4072 32.4876 172.1753 3 I 4.6209 8.8981 119.6844 59.0442 42.1625 173.3959 4 F 5.3040 8.6907 121.0750 55.8415 41.9189 175.1011 5 V 4.8196 9.1627 121.7764 61.2626 34.1149 175.1214 6 K 5.1555 9.2701 127.4128 54.6768 35.0688 175.0472 7 T 5.0668 8.0130 110.5260 59.8333 72.4487 174.7754 8 L 3.8963 8.8913 122.7937 58.8087 42.2088 177.8774 9 T 3.8088 7.8898 111.3679 63.9906 67.2918 174.3206 10 G 3.9632 8.1782 107.4538 44.9711 0.0000 173.0739 11 K 4.0610 7.8052 120.0870 56.6873 33.1861 175.9676 12 T 4.8888 8.4462 120.2919 62.3636 69.4142 173.9340 13 I 4.6633 8.9865 121.6534 59.3452 40.2152 174.7156 14 T 5.0391 8.5194 114.5678 60.1822 71.0544 173.5304 15 L 4.7731 8.3738 123.5562 52.7283 45.1058 175.2697 16 E 4.5788 8.7290 124.5957 56.2632 30.1190 175.9144 17 V 4.6970 8.6669 119.5668 59.8673 36.4940 174.3757 18 E 4.7352 9.4929 121.2738 53.9191 31.5817 176.0833 19 P 4.1812 0.0000 0.0000 65.8808 31.3750 177.7773 20 S 4.5974 7.8550 111.7779 58.0494 63.3608 173.8376 21 D 4.4121 7.7824 122.2850 54.9548 41.2772 176.6252 22 T 4.6945 8.2652 113.5975 61.3790 71.1489 175.7782 23 I 3.7170 8.3800 123.3464 64.5859 37.0182 178.4736 24 E 3.9229 8.1521 119.7124 59.4098 29.6825 178.4510 25 N 4.3557 8.1436 116.5468 56.2505 38.5391 177.6310 26 V 3.5886 7.7421 119.7358 65.9200 31.6725 178.1750 27 K 4.3070 8.6333 119.6536 58.9304 31.3391 179.1334 28 A 4.2089 7.9215 120.6510 54.8129 17.7827 179.8775 29 K 3.9636 7.8804 116.8590 59.6731 32.1082 179.6862 30 I 3.7748 7.8743 120.2001 64.1588 36.7899 177.9027 31 Q 4.0975 8.3267 119.9478 59.7821 28.8622 178.4756 32 D 4.4934 7.5848 117.4384 57.0999 40.9085 178.5026 33 K 4.2162 7.6655 117.1661 58.1758 32.3278 176.7051 34 E 4.1981 8.4362 115.4278 56.8444 31.8487 176.0559 *36 I 3.9106 7.8759 119.9575 60.5949 39.2089 174.1660 37 P 4.3398 0.0000 0.0000 62.0417 32.0326 175.2554 38 P 4.2288 0.0000 0.0000 66.0655 31.3596 178.3403 39 D 4.3968 8.0218 115.5869 56.7625 40.9910 177.1115 40 Q 4.4069 8.2298 117.3866 56.7242 29.3923 175.4138 41 Q 4.8266 8.0882 118.4507 55.1493 30.8158 174.9117 42 R 4.7446 9.0661 121.8960 54.7607 34.0557 173.5872 43 L 5.3174 8.5992 124.9605 52.9987 45.3152 175.0977 44 I 4.8586 8.6940 124.3120 59.4111 40.2425 174.2428 45 F 5.1137 8.9941 129.3026 56.3409 41.3398 175.2350 46 A 3.6140 9.1892 130.7735 53.2558 15.4574 178.0400 47 G 3.9665 8.3179 109.5428 46.1407 0.0000 174.0982 48 K 4.3510 7.6513 120.1394 54.6597 32.9447 175.5658 49 Q 4.4928 8.5979 126.2220 56.2344 29.4173 175.4954 50 L 4.4012 8.6303 126.8966 53.9811 43.1060 175.7558 51 E 4.7934 9.4311 121.2432 54.6613 31.7888 176.0282 52 D 4.5000 8.7048 123.7609 55.2606 41.7560 175.1931 53 G 4.1943 8.8983 109.6458 45.8323 0.0000 174.5782 54 R 4.2929 7.5130 116.8204 55.8374 30.6250 175.3800 55 T 5.0278 8.1689 109.3046 59.4858 71.4906 175.5285 56 L 4.0924 8.4895 121.8498 58.1750 42.1283 180.3586 57 S 4.0938 8.2290 114.2320 61.8320 62.9776 176.1263 58 D 4.2760 7.7504 118.6839 57.5410 40.5366 177.6319 59 Y 4.6021 7.6083 112.0456 56.8462 38.0282 174.8391 60 N 4.1215 8.4046 117.4084 54.4410 38.0061 174.3119 61 I 3.7300 7.9034 117.8381 60.1613 37.9688 175.5457 62 Q 4.5570 8.7125 125.5358 53.6135 32.4333 174.1829 63 K 4.0260 8.5364 116.7618 59.6403 32.3796 176.4901 64 E 3.8200 8.8879 120.6785 56.7047 27.7454 174.8241 65 S 4.6379 7.9705 115.6608 58.8663 64.3846 173.1539 66 T 5.1236 8.6997 118.5481 62.0514 70.4535 173.7462 67 L 4.9069 9.2375 126.7310 53.6503 44.6399 175.2968 68 H 5.0245 9.0503 119.7542 53.9237 31.0418 173.3796 69 L 4.6792 8.8760 127.5384 54.7104 42.4690 176.3737 70 V 4.5883 9.3548 120.6585 59.4859 35.2540 174.7264 71 L 4.8390 8.4805 123.6775 54.0312 42.9984 176.6754 72 R 4.3133 9.2796 124.3993 58.6016 30.6064 176.7051 73 L 4.2402 8.6923 123.1364 54.8204 41.4877 174.2023 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 L 8.04 4.32 0.00 1.75 1.84 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.56 5.36 0.00 2.08 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 1.93 2.21 0.00 3 I 8.90 4.62 1.86 0.00 0.00 0.77 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 0.57 0.83 0.00 0.00 4 F 8.69 5.30 0.00 3.07 2.96 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 5 V 9.16 4.82 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 0.96 0.00 0.00 0.93 0.00 0.00 6 K 9.27 5.16 0.00 1.75 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.38 7.81 7 T 8.01 5.07 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 1.30 0.00 0.00 8 L 8.89 3.90 0.00 1.63 1.75 0.92 0.89 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 9 T 7.89 3.81 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 1.22 0.00 0.00 10 G 8.18 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 11 K 7.81 4.06 0.00 1.91 1.96 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 12 T 8.45 4.89 4.22 0.00 0.00 0.00 0.00 0.00 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 13 I 8.99 4.66 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 1.01 0.00 0.00 14 T 8.52 5.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 15 L 8.37 4.77 0.00 1.56 1.51 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.58 0.00 1.93 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 2.26 2.37 0.00 17 V 8.67 4.70 2.03 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.49 4.74 0.00 1.90 1.81 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 2.21 2.21 0.00 19 P 0.00 4.18 0.00 2.19 2.29 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 20 S 7.85 4.60 0.00 3.87 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 21 D 7.78 4.41 0.00 2.92 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 22 T 8.27 4.69 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 1.21 0.00 0.00 23 I 8.38 3.72 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.06 0.95 0.00 0.00 24 E 8.15 3.92 0.00 2.09 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 2.47 0.00 25 N 8.14 4.36 0.00 3.08 2.89 0.00 0.00 6.69 7.65 0.00 0.00 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 V 7.74 3.59 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 1.00 0.00 0.00 0.94 0.00 0.00 27 K 8.63 4.31 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 7.92 4.21 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 29 K 7.88 3.96 0.00 2.04 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 I 7.87 3.77 2.13 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 0.86 0.96 0.00 0.00 31 Q 8.33 4.10 0.00 2.09 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 32 D 7.58 4.49 0.00 2.85 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 33 K 7.67 4.22 0.00 1.77 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 34 E 8.44 4.20 0.00 2.06 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 2.32 2.39 0.00 *36 I 7.88 3.91 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 39 D 8.02 4.40 0.00 2.67 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 40 Q 8.23 4.41 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 41 Q 8.09 4.83 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 42 R 9.07 4.74 0.00 1.81 1.82 0.00 3.03 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 43 L 8.60 5.32 0.00 1.56 1.49 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 4.86 1.93 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 1.13 1.08 0.95 0.00 0.00 45 F 8.99 5.11 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.19 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.32 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.35 0.00 1.99 1.78 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.35 7.81 49 Q 8.60 4.49 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.63 4.40 0.00 1.43 1.28 0.61 0.31 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 51 E 9.43 4.79 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 52 D 8.70 4.50 0.00 2.68 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 53 G 8.90 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 0.00 0.00 0.00 0.00 54 R 7.51 4.29 0.00 2.20 1.73 0.00 3.03 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 55 T 8.17 5.03 4.32 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 1.26 0.00 0.00 56 L 8.49 4.09 0.00 1.94 1.86 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.09 0.00 3.87 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 58 D 7.75 4.28 0.00 2.63 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 0.00 0.00 0.00 0.00 59 Y 7.61 4.60 0.00 3.06 2.96 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 60 N 8.40 4.12 0.00 2.83 2.99 0.00 0.00 7.08 7.95 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 61 I 7.90 3.73 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.21 0.55 0.00 0.00 62 Q 8.71 4.56 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 63 K 8.54 4.03 0.00 1.82 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 8.89 3.82 0.00 2.24 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 0.00 2.32 2.28 0.00 65 S 7.97 4.64 0.00 3.69 3.87 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 66 T 8.70 5.12 4.34 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 1.16 0.00 0.00 67 L 9.24 4.91 0.00 1.53 1.56 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.02 0.00 3.05 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.88 4.68 0.00 1.63 1.76 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.35 4.59 2.09 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 0.73 0.00 0.00 0.96 0.00 0.00 71 L 8.48 4.84 0.00 1.53 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.28 4.31 0.00 1.63 1.91 0.00 3.35 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 73 L 8.69 4.24 0.00 1.71 1.89 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.