NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3139 8.0327 110.9399 60.9896 70.4275 174.1772 4 K 3.6445 8.7064 123.7479 59.0415 32.0751 177.3497 5 K 3.9093 8.8474 120.7338 59.5182 32.5384 177.9979 6 E 3.9482 8.0200 118.8455 59.3963 29.3375 179.1721 7 R 3.9233 8.1055 118.7319 59.6425 30.0270 178.6669 8 I 3.9178 8.1528 119.5950 64.1137 37.0223 178.2847 9 A 4.0082 7.9123 121.6432 55.1639 18.0099 179.6608 10 I 3.6670 7.5643 117.0870 64.7534 37.2917 178.3173 11 Q 4.1958 8.1981 117.7674 59.1289 28.9312 178.8883 12 R 4.4128 8.5007 119.4652 59.2025 29.5328 179.3576 13 S 4.0319 8.1606 108.9135 59.4356 62.1143 175.3786 *15 A 4.3636 7.9479 125.0420 51.8670 20.4393 179.5848 16 E 4.2016 8.4055 115.2294 59.7769 29.4416 179.5007 17 E 3.9995 8.0776 117.4615 59.1252 29.5390 179.1603 18 A 3.9851 7.9981 120.3579 55.2158 18.4800 179.4214 19 L 4.0572 8.2770 117.7804 57.9836 41.6440 179.8002 20 G 3.7612 8.4563 105.9742 48.0306 0.0000 175.5514 21 K 3.9612 8.0127 121.7934 59.0117 32.1855 179.0482 22 L 3.9441 7.9308 119.4316 57.6648 41.4450 179.5748 23 K 3.9513 8.3734 118.4705 59.1726 31.7084 179.1509 24 A 3.9031 7.9741 120.5531 55.1760 18.6010 179.1685 25 I 3.4811 7.4781 118.1816 64.7085 37.0788 178.2732 26 R 3.3753 7.3218 118.9850 59.7002 29.5621 178.3419 27 Q 4.0777 7.5482 115.8026 58.0952 28.9472 177.8404 28 L 4.2343 7.8050 119.5758 55.0219 41.7870 176.5281 29 C 4.0562 7.1374 116.8090 61.4356 28.6011 174.1731 30 G 3.8889 9.0652 110.9053 45.8141 0.0000 174.7494 31 A 4.0786 8.0537 124.1472 54.8030 18.2872 178.9389 32 E 4.4390 7.9767 110.6310 56.9298 31.3215 177.2247 33 D 4.7566 7.9612 128.3709 54.7519 39.7144 177.6955 *38 S 4.3562 8.6199 121.3080 58.3383 64.0717 174.8713 39 D 4.2731 8.0102 119.3862 56.6489 39.5480 178.4157 *41 Q 4.3488 8.0234 118.6680 56.1087 30.9597 176.7391 42 E 3.9395 9.1516 119.1846 59.4440 29.5001 179.1125 43 V 3.7583 7.4627 116.7048 66.1667 31.6209 177.4897 44 E 3.9606 8.2750 118.4860 59.2827 29.4550 178.5933 45 I 3.6302 8.0867 120.1077 64.1569 37.0988 178.3535 46 W 4.1678 7.9080 119.4911 60.0916 28.8608 178.3676 47 T 3.9881 8.2810 115.8604 67.0742 67.9654 176.2413 48 N 4.3373 8.3045 117.9189 56.3935 38.5957 177.5956 49 R 3.8914 8.0989 120.0986 59.3438 30.1596 178.6613 50 I 3.7900 8.2679 120.1249 64.2161 37.1241 178.2098 51 K 3.9714 8.3406 120.7060 59.5354 31.9906 178.3528 52 E 3.9664 8.2421 119.5542 59.1617 29.5737 178.6091 53 L 3.9747 7.9834 120.3635 58.1454 42.2225 178.4599 54 E 3.6966 8.7435 119.6018 59.3165 29.5879 178.4700 55 D 4.4347 8.5961 119.3118 57.0631 40.8546 178.5453 56 W 4.2221 8.2516 130.0303 59.9170 30.5447 177.5445 57 L 3.3106 7.9933 117.7467 57.5588 41.1387 179.2521 58 W 5.0751 7.5748 115.2686 57.4489 29.5307 177.8330 59 G 4.0100 7.8478 104.6064 45.2397 0.0000 174.0157 60 E 4.4228 8.1226 119.2893 56.3169 32.2312 176.4992 61 S 3.3408 6.5923 112.7322 56.5096 63.5635 173.1453 62 P 4.2629 0.0000 0.0000 64.6382 31.0069 177.4606 63 I 4.2206 7.1554 109.8713 60.1691 37.9838 175.5919 64 A 4.2303 7.5578 129.8172 52.8768 18.0732 177.6139 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 3 T 8.03 4.31 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 1.25 0.00 0.00 4 K 8.71 3.64 0.00 1.97 1.86 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.62 7.81 5 K 8.85 3.91 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 6 E 8.02 3.95 0.00 2.19 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 2.33 2.32 0.00 7 R 8.11 3.92 0.00 2.14 2.04 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 8 I 8.15 3.92 2.02 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 1.47 0.69 0.94 0.00 0.00 9 A 7.91 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.56 3.67 2.03 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 1.54 0.59 0.93 0.00 0.00 11 Q 8.20 4.20 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 12 R 8.50 4.41 0.00 2.09 2.15 0.00 3.39 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 2.06 1.91 0.00 13 S 8.16 4.03 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.36 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 4.20 0.00 2.32 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 0.00 2.77 2.57 0.00 17 E 8.08 4.00 0.00 2.08 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 2.36 2.56 0.00 18 A 8.00 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.06 0.00 1.98 1.82 1.11 1.09 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 20 G 8.46 3.76 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 0.00 0.00 0.00 21 K 8.01 3.96 0.00 1.90 1.96 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 22 L 7.93 3.94 0.00 1.95 1.78 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.37 3.95 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.62 7.81 24 A 7.97 3.90 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 25 I 7.48 3.48 1.45 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 -0.19 0.00 0.00 26 R 7.32 3.38 0.00 1.71 2.03 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 27 Q 7.55 4.08 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 28 L 7.81 4.23 0.00 1.75 1.64 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.14 4.06 0.00 3.01 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 30 G 9.07 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 0.00 0.00 0.00 31 A 8.05 4.08 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 32 E 7.98 4.44 0.00 2.08 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 2.24 2.27 0.00 33 D 7.96 4.76 0.00 2.80 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.36 0.00 3.89 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 39 D 8.01 4.27 0.00 2.88 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 *41 Q 8.02 4.35 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 42 E 9.15 3.94 0.00 2.13 2.22 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 2.55 2.47 0.00 43 V 7.46 3.76 2.14 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 1.07 0.00 0.00 0.99 0.00 0.00 44 E 8.27 3.96 0.00 2.10 2.13 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 2.39 2.43 0.00 45 I 8.09 3.63 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.60 0.00 0.00 46 W 7.91 4.17 0.00 3.55 3.22 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 0.00 47 T 8.28 3.99 4.46 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 0.00 0.00 0.00 1.26 0.00 0.00 48 N 8.30 4.34 0.00 2.93 2.85 0.00 0.00 6.74 7.27 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 49 R 8.10 3.89 0.00 1.90 1.88 0.00 3.20 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 50 I 8.27 3.79 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.99 0.00 0.00 51 K 8.34 3.97 0.00 1.97 2.08 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 52 E 8.24 3.97 0.00 2.19 2.11 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 2.29 2.33 0.00 53 L 7.98 3.97 0.00 1.80 1.82 0.92 0.88 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 54 E 8.74 3.70 0.00 2.23 2.13 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 2.65 2.59 0.00 55 D 8.60 4.43 0.00 3.01 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 56 W 8.25 4.22 0.00 3.39 3.37 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 57 L 7.99 3.31 0.00 0.60 0.31 0.61 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.57 5.08 0.00 3.29 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 59 G 7.85 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.12 4.42 0.00 1.53 1.87 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 2.23 2.19 0.00 61 S 6.59 3.34 0.00 2.72 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 62 P 0.00 4.26 0.00 2.04 2.14 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 63 I 7.16 4.22 1.94 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 1.08 0.57 0.93 0.00 0.00 64 A 7.56 4.23 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 * Residues marked with a * may have inaccurate shift predictions.