NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3228 8.3027 121.4757 56.1828 31.7953 177.4713 3 K 3.7910 8.1305 119.2097 58.6705 32.0562 176.6452 4 D 4.2867 8.2401 118.0550 57.2236 41.4506 177.0515 5 L 3.9111 7.9289 118.8275 58.5105 42.2727 178.5338 6 L 4.1368 8.0600 118.5577 57.8136 41.5321 179.0485 7 D 4.2906 8.3785 119.2643 57.5672 40.6165 179.1719 8 K 4.1428 7.9583 117.0160 58.2895 31.8635 178.2394 9 L 4.5861 7.9851 118.5463 53.5745 41.6859 177.5738 10 G 4.1425 7.7921 106.6283 46.0500 0.0000 173.7575 11 Q 4.6192 7.2967 117.7292 54.7617 30.4457 174.9089 12 H 4.9993 8.3559 116.8276 54.3091 33.3997 172.1241 13 L 4.9639 8.6994 121.7833 53.2494 43.8700 175.8153 14 V 4.2368 8.6716 123.3380 61.0118 33.5544 174.4644 15 W 5.2794 8.5921 126.4631 55.1287 32.2175 174.7244 16 R 4.6385 9.0509 121.8223 54.7267 35.1798 173.9954 *18 G 3.9903 8.3889 106.7615 46.1117 0.0000 171.7947 19 R 4.8601 8.9824 120.0590 55.3409 31.3496 175.7133 20 A 4.3746 8.6359 127.4338 52.0933 18.5213 178.0062 21 E 4.0519 9.0138 120.3514 58.5462 29.7971 177.7455 22 D 4.9620 8.0282 115.0504 52.6149 40.2026 175.1719 23 E 4.6911 7.6314 116.1177 55.1390 32.8486 175.2422 24 D 4.6651 8.3772 120.7716 53.4015 39.7390 175.3439 25 V 4.6285 7.1661 120.6848 60.7518 35.9830 174.0881 26 L 4.5215 8.9302 130.3407 54.6477 43.2246 175.2352 27 V 4.8024 8.8404 127.1001 61.1816 33.4377 174.7639 28 V 4.6909 8.9455 128.0491 61.2849 34.0495 174.1715 29 R 5.2585 9.4948 127.4594 54.4399 32.8085 175.5448 30 V 4.8300 8.0608 122.2809 59.1110 35.1449 174.5373 31 G 3.0929 7.3987 108.0035 45.1449 0.0000 172.5300 32 L 4.6184 7.8785 119.2684 53.9875 42.5420 178.4184 33 A 3.9342 8.7221 123.0782 55.4026 17.9660 180.2245 34 S 4.2478 8.0940 110.6009 60.3931 63.4642 175.2012 35 A 4.4632 8.0069 124.0629 52.2490 18.8690 178.4959 36 T 3.8022 7.7552 116.3853 66.6650 68.2749 174.1765 37 P 4.2759 0.0000 0.0000 66.0950 31.2374 178.8034 38 R 4.2296 8.2046 116.3489 58.7683 29.9720 179.0375 39 F 3.9478 8.3718 118.1053 60.7569 38.7725 177.8490 40 R 4.1156 7.4498 115.7973 58.7215 29.8580 178.5013 41 E 4.1631 7.7337 117.6528 57.8136 29.7706 177.4075 42 L 4.2039 6.9404 117.5647 53.3751 42.3580 175.0772 43 P 4.3046 0.0000 0.0000 62.8733 31.7724 176.9222 44 R 4.0817 8.4587 121.2595 56.4286 30.6713 176.0557 45 L 4.8719 8.2325 121.0668 53.3697 44.3411 175.5981 46 L 4.7133 8.6798 121.3938 53.1019 43.7074 176.3417 47 N 4.9070 8.7188 120.4213 53.7348 39.3005 174.2166 48 L 4.5954 8.1024 119.5611 53.6776 43.3955 173.7112 49 P 4.3940 0.0000 0.0000 62.4617 31.9316 177.3190 50 E 3.9021 8.7952 121.5740 59.2782 30.0535 178.2254 51 A 4.1287 8.0204 121.4379 55.1131 18.8213 179.1576 52 E 4.2085 7.9129 115.7471 56.5960 29.2996 178.6705 *54 R 4.1942 8.1878 118.5643 55.8742 32.0150 177.0481 55 R 3.8910 8.1061 117.3756 59.6736 29.9645 178.4577 56 L 3.9911 8.0438 118.5771 57.6517 41.4936 179.7878 57 V 3.5726 7.6740 117.6728 66.2109 31.4450 177.8385 58 Q 4.0223 8.2433 116.8007 58.9706 28.6474 178.0697 59 E 4.3546 8.3828 116.7991 56.0204 29.6693 177.5800 60 G 3.9210 8.0539 107.4405 46.0933 0.0000 175.4137 61 R 4.4283 7.7387 121.2794 54.5536 28.1711 175.4297 62 V 4.9574 7.4493 118.6429 61.0962 35.7296 174.3742 63 R 4.6122 9.0313 126.6910 54.6190 32.9569 173.8248 64 V 4.8118 8.5803 126.3994 61.6512 33.2567 174.6054 65 E 4.8058 9.8146 127.6465 54.2766 32.9335 174.4583 66 W 4.9110 8.8365 133.9908 55.9436 32.3049 175.2116 67 V 3.8890 7.1072 127.9488 60.8787 31.6496 175.4064 68 E 4.2841 8.5964 128.5042 56.0769 30.2066 176.9507 69 E 4.1403 8.7167 119.5311 56.6376 29.9340 176.4726 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 E 8.30 4.32 0.00 2.11 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 2.39 2.46 0.00 3 K 8.13 3.79 0.00 1.99 1.82 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.62 7.81 4 D 8.24 4.29 0.00 2.84 2.66 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 5 L 7.93 3.91 0.00 1.67 1.92 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.06 4.14 0.00 1.89 1.84 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.38 4.29 0.00 2.97 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 8 K 7.96 4.14 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.63 7.81 9 L 7.99 4.59 0.00 1.85 1.67 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.79 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.30 4.62 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 12 H 8.36 5.00 0.00 3.09 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.70 4.96 0.00 1.66 1.30 1.13 1.03 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 14 V 8.67 4.24 1.49 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 0.29 0.00 0.00 0.76 0.00 0.00 15 W 8.59 5.28 0.00 3.15 3.11 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 0.00 16 R 9.05 4.64 0.00 1.91 1.87 0.00 3.30 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.73 0.00 *18 G 8.39 3.99 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 0.00 19 R 8.98 4.86 0.00 1.87 1.81 0.00 3.11 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 20 A 8.64 4.37 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 E 9.01 4.05 0.00 1.98 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 0.00 2.32 2.46 0.00 22 D 8.03 4.96 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 4.69 0.00 2.04 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 2.18 2.30 0.00 24 D 8.38 4.67 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 25 V 7.17 4.63 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 1.03 0.00 0.00 0.94 0.00 0.00 26 L 8.93 4.52 0.00 1.83 1.55 1.00 0.95 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 27 V 8.84 4.80 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 0.85 0.00 0.00 0.95 0.00 0.00 28 V 8.95 4.69 2.25 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 1.36 0.00 0.00 1.05 0.00 0.00 29 R 9.49 5.26 0.00 1.91 1.65 0.00 3.18 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 30 V 8.06 4.83 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 0.00 0.00 0.83 0.00 0.00 -0.36 0.00 0.00 31 G 7.40 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 0.00 0.00 0.00 32 L 7.88 4.62 0.00 1.75 1.63 1.03 0.83 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 33 A 8.72 3.93 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 34 S 8.09 4.25 0.00 4.05 4.03 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 35 A 8.01 4.46 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 36 T 7.76 3.80 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 1.12 0.00 0.00 37 P 0.00 4.28 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 38 R 8.20 4.23 0.00 1.79 1.87 0.00 3.26 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 39 F 8.37 3.95 0.00 3.16 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 40 R 7.45 4.12 0.00 1.90 2.02 0.00 3.28 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 41 E 7.73 4.16 0.00 2.06 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 2.34 2.46 0.00 42 L 6.94 4.20 0.00 1.79 1.55 0.64 0.72 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 43 P 0.00 4.30 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 44 R 8.46 4.08 0.00 1.81 1.87 0.00 3.36 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 45 L 8.23 4.87 0.00 1.55 1.50 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.68 4.71 0.00 1.55 1.57 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.72 4.91 0.00 2.61 2.76 0.00 0.00 6.80 7.85 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 48 L 8.10 4.60 0.00 1.89 1.59 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.39 0.00 2.20 2.01 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 50 E 8.80 3.90 0.00 1.92 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 2.28 2.25 0.00 51 A 8.02 4.13 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 52 E 7.91 4.21 0.00 1.97 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 2.31 2.25 0.00 *54 R 8.19 4.19 0.00 1.90 2.10 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 55 R 8.11 3.89 0.00 1.93 2.11 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 56 L 8.04 3.99 0.00 1.75 1.87 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.67 3.57 2.20 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 1.17 0.00 0.00 0.94 0.00 0.00 58 Q 8.24 4.02 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 59 E 8.38 4.35 0.00 1.93 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 2.34 2.57 0.00 60 G 8.05 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 0.00 0.00 0.00 61 R 7.74 4.43 0.00 1.81 2.02 0.00 3.09 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 62 V 7.45 4.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 63 R 9.03 4.61 0.00 1.90 1.74 0.00 3.15 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 64 V 8.58 4.81 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.06 0.00 0.00 65 E 9.81 4.81 0.00 1.83 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 2.22 2.23 0.00 66 W 8.84 4.91 0.00 3.42 2.97 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 67 V 7.11 3.89 1.11 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 0.19 0.00 0.00 -0.08 0.00 0.00 68 E 8.60 4.28 0.00 2.01 1.93 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 2.46 2.30 0.00 69 E 8.72 4.14 0.00 2.07 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 2.32 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.