NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0227 8.0549 120.3901 62.9403 32.1758 174.5541 2 T 4.2637 8.4737 124.1557 61.3619 70.7644 172.1231 3 S 4.8143 9.0219 123.3981 56.7507 66.8334 172.9199 4 Y 4.7413 8.2982 119.5002 56.4890 41.2982 175.0409 5 T 4.8105 8.4413 113.5377 59.8946 71.9200 172.9407 6 L 4.6724 8.1300 123.1691 54.1572 45.1820 174.9343 7 S 4.6978 8.1629 119.6100 57.5345 66.9248 172.3592 8 D 4.4430 8.1321 120.2427 53.8079 43.7203 174.5763 9 V 4.1093 8.1880 121.9139 61.3362 32.4094 175.2177 10 V 4.2852 8.0779 125.8972 61.1905 33.7975 175.6451 11 S 4.4425 8.4474 123.2294 56.6794 60.9120 173.6693 12 L 3.9664 8.3864 125.6790 57.6005 41.4551 178.6424 13 K 3.8668 8.0675 117.1100 59.1079 32.1588 177.4002 14 D 4.6420 8.0434 116.9158 54.5768 41.2208 176.9315 15 V 4.1271 7.4974 117.5092 63.7826 33.0982 175.8097 16 V 4.4212 7.4744 110.7838 58.6217 33.7226 173.8030 17 P 4.5519 0.0000 0.0000 62.0121 31.9434 176.4952 18 E 3.9547 8.8368 120.4717 58.1976 29.6557 177.1053 19 W 4.7679 8.0500 117.0817 54.8343 31.5670 174.8773 20 V 4.6800 8.2962 114.4615 59.9261 35.4304 174.4745 21 R 4.7008 8.3797 118.7803 54.4252 33.0158 175.3978 22 I 4.4306 7.6423 114.0854 59.1499 40.1476 175.2146 23 G 3.6924 7.2199 107.8493 45.8686 0.0000 172.2320 24 F 5.0321 8.3628 116.8482 55.6584 42.1380 174.8576 25 S 4.7030 8.3184 115.4794 57.0975 65.8918 173.2036 26 A 4.5242 8.0715 123.1247 51.3624 21.7005 175.4902 27 T 4.7798 7.9831 110.3370 60.2968 72.2127 172.6867 28 T 4.9570 8.1775 110.4187 60.2825 72.7810 175.2704 29 G 4.2133 8.4718 112.6671 45.0875 0.0000 176.5885 30 A 4.0956 9.1186 127.9453 53.7624 18.5342 177.6845 31 E 4.9019 7.6148 111.6146 55.0063 32.4327 174.4429 32 Y 5.0723 6.9832 116.9173 56.6257 40.8632 173.3658 33 A 4.2165 8.0185 120.1427 51.9409 21.3293 175.5572 34 A 4.4132 8.4740 122.8542 51.5288 19.7977 176.9554 35 H 4.8583 8.6543 118.7073 53.9694 31.2617 173.2841 36 E 4.7009 8.5376 122.7564 54.3088 33.2851 175.0592 37 V 4.2116 8.0547 120.1173 61.1458 33.9137 175.3218 38 L 4.4723 8.4305 126.1639 55.9963 42.7684 176.5040 39 S 4.7603 7.5893 110.0193 57.3066 65.5192 173.4112 40 W 5.3145 8.4219 129.7606 56.7048 33.3738 173.7672 41 S 4.7889 8.9487 119.5087 56.6119 65.5865 172.9542 42 F 4.8088 8.2160 122.3193 57.2671 42.1744 173.2095 43 H 4.4834 7.2833 125.9061 54.5369 32.5896 172.5646 44 S 4.4398 7.8873 120.2371 56.2008 65.8373 172.9455 45 E 4.3136 8.4587 122.1083 54.3657 31.7983 174.3076 46 L 4.4296 8.3968 128.3476 53.3065 42.7825 175.9823 47 S 4.4370 8.2485 122.5487 57.8599 64.1502 173.4974 48 G 3.8795 8.9941 115.1343 47.3129 0.0000 175.0521 *49 T 4.1319 7.7777 116.1149 60.4201 69.1821 175.4361 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 V 8.05 4.02 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 0.97 0.00 0.00 0.92 0.00 0.00 2 T 8.47 4.26 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 1.02 0.00 0.00 3 S 9.02 4.81 0.00 3.70 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 4.74 0.00 2.93 2.82 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 5 T 8.44 4.81 4.27 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 1.23 0.00 0.00 6 L 8.13 4.67 0.00 1.59 1.55 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.16 4.70 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.44 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.11 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 0.84 0.00 0.00 0.93 0.00 0.00 10 V 8.08 4.29 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 0.87 0.00 0.00 0.94 0.00 0.00 11 S 8.45 4.44 0.00 3.90 3.74 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 12 L 8.39 3.97 0.00 1.72 1.73 0.93 0.94 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 13 K 8.07 3.87 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.52 7.81 14 D 8.04 4.64 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 4.13 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 0.84 0.00 0.00 0.99 0.00 0.00 16 V 7.47 4.42 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 0.77 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.55 0.00 2.34 2.05 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 18 E 8.84 3.95 0.00 1.90 2.05 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 1.75 2.06 0.00 19 W 8.05 4.77 0.00 3.25 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 20 V 8.30 4.68 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 0.80 0.00 0.00 0.95 0.00 0.00 21 R 8.38 4.70 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 22 I 7.64 4.43 1.75 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.68 0.00 0.00 23 G 7.22 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.36 5.03 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.70 0.00 3.90 3.77 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 26 A 8.07 4.52 1.02 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 0.00 0.00 0.00 0.00 0.00 27 T 7.98 4.78 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 1.20 0.00 0.00 28 T 8.18 4.96 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 29 G 8.47 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.12 4.10 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 31 E 7.61 4.90 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 2.20 2.21 0.00 32 Y 6.98 5.07 0.00 3.07 2.94 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 0.00 0.00 0.00 33 A 8.02 4.22 1.08 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 0.00 0.00 34 A 8.47 4.41 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.65 4.86 0.00 3.08 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.54 4.70 0.00 1.84 1.74 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 2.17 2.23 0.00 37 V 8.05 4.21 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 0.54 0.00 0.00 0.03 0.00 0.00 38 L 8.43 4.47 0.00 1.67 1.70 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.59 4.76 0.00 4.03 3.85 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 0.00 0.00 0.00 0.00 40 W 8.42 5.31 0.00 3.34 3.20 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 0.00 41 S 8.95 4.79 0.00 3.98 3.84 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 0.00 0.00 0.00 42 F 8.22 4.81 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.28 4.48 0.00 2.96 2.90 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.89 4.44 0.00 3.92 3.64 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 45 E 8.46 4.31 0.00 1.85 1.78 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 2.15 2.23 0.00 46 L 8.40 4.43 0.00 1.50 1.47 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.25 4.44 0.00 3.88 3.77 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 48 G 8.99 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 0.00 0.00 0.00 *49 T 7.78 4.13 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.