NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3955 8.2027 121.0345 55.6307 29.2424 174.0332 3 S 4.6088 8.1066 115.8492 58.5177 64.2995 172.7205 4 I 4.4668 8.1123 121.0520 60.3118 40.0291 174.8750 *5 N 5.0600 8.7724 125.8480 51.3370 39.4760 174.5432 6 F 4.7003 9.8020 116.8030 60.2686 36.1955 174.2463 7 R 4.3798 8.4195 120.9268 56.1958 30.7874 175.7617 8 T 3.4319 8.5230 112.4827 58.2378 69.9629 166.8068 *14 S 4.3907 8.2550 113.5351 61.0440 62.6856 175.0701 15 E 4.2912 8.6066 115.4677 59.0333 29.6012 174.5328 16 V 3.8093 7.8828 116.8792 67.2012 31.3465 177.5964 17 L 4.1902 7.8887 119.6995 58.5613 41.8134 179.0739 18 N 4.6164 8.4027 119.7385 56.8300 38.6326 177.0060 *19 N 5.1872 7.5334 115.4437 49.9624 38.1253 177.0252 20 V 3.7628 7.8155 124.6474 62.9502 32.5453 176.1185 21 E 3.9341 8.6192 123.0413 58.1354 29.6966 176.8442 22 A 4.4369 7.5850 129.5584 51.9391 20.0698 177.4064 23 G 4.2119 8.1843 117.9505 45.4645 0.0000 171.3117 24 E 4.7360 7.8729 112.6778 53.9866 34.6023 176.8824 25 E 4.7444 8.0027 117.2801 57.1433 32.9062 175.1871 26 V 3.2240 8.4101 116.1414 65.7575 29.8662 175.3309 27 E 4.7015 7.6180 118.3433 55.0214 28.8642 177.4713 28 I 3.7919 8.0250 125.1424 62.0695 38.4362 175.7018 29 T 4.6574 8.5583 122.5104 61.5303 68.9972 173.6995 30 R 3.3313 7.8734 122.2754 55.1627 33.9876 176.1786 *31 R 3.9579 8.5415 121.7907 57.5334 30.0292 176.4750 32 G 4.1462 8.9591 114.5400 45.4673 0.0000 173.9437 *33 R 4.6548 7.5800 114.2112 53.9733 33.5746 176.9817 34 E 4.0552 8.7607 122.0766 55.5110 29.9609 175.3876 35 P 4.5141 0.0000 0.0000 62.6730 32.1449 175.8722 36 A 4.6507 8.3185 124.7850 50.7549 21.7295 175.7139 37 V 4.7586 8.1028 117.3919 61.3954 35.1267 175.2285 38 I 4.7047 7.9782 123.7635 59.0232 37.1256 174.5614 39 V 4.1859 7.8245 124.0055 59.8130 33.5648 177.5253 40 S 4.3923 8.2869 115.6241 58.1475 64.2323 175.2705 41 K 4.1849 8.4948 123.6567 58.8340 31.9223 179.3166 42 A 4.1367 7.9006 120.4694 55.5253 18.5273 179.3666 43 T 4.1836 7.8832 112.5958 65.3008 69.6484 175.0380 44 F 4.2997 7.8660 123.7735 57.0625 37.8245 174.1220 45 E 4.4009 8.1835 124.0740 57.0458 30.5965 176.1132 46 A 4.8956 7.2543 118.5137 51.2941 22.5031 174.4752 47 Y 4.5230 8.2866 117.3423 58.2059 41.3123 175.0062 48 K 4.6472 8.4988 123.6429 54.5694 35.6537 172.5448 *49 K 4.2721 8.7508 124.6077 53.9419 31.6690 173.6333 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 Q 8.20 4.40 0.00 1.76 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 3 S 8.11 4.61 0.00 3.98 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 4 I 8.11 4.47 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 1.20 0.31 0.91 0.00 0.00 *5 N 8.77 5.06 0.00 2.50 2.67 0.00 0.00 6.81 7.43 0.00 0.00 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 F 9.80 4.70 0.00 2.81 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 7 R 8.42 4.38 0.00 1.82 1.72 0.00 3.25 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 8 T 8.52 3.43 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 *14 S 8.25 4.39 0.00 3.86 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 15 E 8.61 4.29 0.00 2.01 1.92 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 2.30 1.93 0.00 16 V 7.88 3.81 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 1.04 0.00 0.00 0.95 0.00 0.00 17 L 7.89 4.19 0.00 1.66 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.40 4.62 0.00 2.82 2.76 0.00 0.00 6.29 7.99 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 *19 N 7.53 5.19 0.00 2.65 2.60 0.00 0.00 6.99 9.00 0.00 0.00 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 7.82 3.76 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 0.92 0.00 0.00 1.01 0.00 0.00 21 E 8.62 3.93 0.00 2.02 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 2.23 1.89 0.00 22 A 7.59 4.44 1.22 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 0.00 0.00 23 G 8.18 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 24 E 7.87 4.74 0.00 1.93 1.65 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 2.11 1.87 0.00 25 E 8.00 4.74 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 26 V 8.41 3.22 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 0.89 0.00 0.00 0.94 0.00 0.00 27 E 7.62 4.70 0.00 1.62 1.76 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 2.25 2.16 0.00 28 I 8.03 3.79 1.85 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 1.18 0.86 0.00 0.00 29 T 8.56 4.66 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 1.44 0.00 0.00 30 R 7.87 3.33 0.00 1.42 1.47 0.00 3.02 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.24 0.00 *31 R 8.54 3.96 0.00 1.83 1.73 0.00 3.41 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 32 G 8.96 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.65 0.00 1.79 1.64 0.00 3.29 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 34 E 8.76 4.06 0.00 1.93 1.92 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 2.31 2.28 0.00 35 P 0.00 4.51 0.00 1.92 1.95 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 36 A 8.32 4.65 1.21 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 37 V 8.10 4.76 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 0.84 0.00 0.00 0.94 0.00 0.00 38 I 7.98 4.70 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 1.29 0.95 0.99 0.00 0.00 39 V 7.82 4.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 40 S 8.29 4.39 0.00 3.94 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 41 K 8.49 4.18 0.00 1.79 1.89 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 42 A 7.90 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.18 4.30 0.00 0.00 0.00 0.00 0.00 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 44 F 7.87 4.30 0.00 3.18 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 45 E 8.18 4.40 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 46 A 7.25 4.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.52 0.00 2.81 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.50 4.65 0.00 1.72 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.00 7.81 *49 K 8.75 4.27 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.