NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3802 8.4293 120.2264 55.9867 29.4534 174.0632 5 P 4.8078 0.0000 0.0000 63.2189 36.4458 174.5110 6 C 4.3253 7.4889 123.0327 57.3929 30.6679 174.1559 *9 S 4.4598 7.8781 117.6392 57.7211 65.1757 177.2385 10 L 3.6742 7.6951 120.9170 57.4794 41.0729 179.3105 11 V 3.7030 7.5357 117.2387 65.9291 31.6613 177.8445 12 S 4.2452 7.8590 112.6478 61.3958 63.0970 176.0484 13 Q 4.0924 7.5101 121.8816 58.6918 28.3330 178.4897 14 Y 4.6497 7.1438 115.6724 58.6547 37.7018 178.0794 *16 Q 4.2420 8.0436 120.8235 56.4083 31.1154 177.8766 17 T 3.8221 8.0543 116.0867 65.9882 68.3369 176.9323 18 V 3.7560 7.9181 120.2060 66.2645 31.5775 178.2916 19 T 3.9383 7.7159 115.1189 66.6259 68.4360 176.2721 20 D 4.3389 8.0622 121.0453 57.4347 40.7718 178.3935 21 Y 4.6157 7.6236 117.3547 61.1411 37.8017 178.8181 22 G 3.6871 8.3460 106.6905 47.6460 0.0000 176.0092 23 K 4.0301 8.1538 120.8014 59.4385 32.1283 179.2101 24 D 4.8466 8.4547 120.9237 56.8802 40.8125 178.8770 25 L 4.0853 8.1966 119.6415 57.9621 41.5920 179.3354 26 M 4.1987 8.3287 118.6186 57.9456 31.6809 178.5541 27 E 4.0285 8.2477 119.2547 58.8331 29.5435 178.4611 28 K 4.4243 7.6219 116.8931 56.7445 32.4071 178.5826 29 V 3.9329 7.3186 118.1974 65.2530 32.2146 177.5668 30 K 4.6311 8.5413 119.2689 57.7517 31.8268 179.5885 31 S 4.1327 7.8207 115.3955 60.9688 62.5970 174.7669 32 P 4.3178 0.0000 0.0000 64.6383 31.1197 177.6816 33 E 3.9003 7.8539 117.9539 58.0180 29.1502 177.6376 34 L 4.7634 7.2619 115.2622 54.6357 42.3370 176.4686 35 Q 4.0426 8.0339 121.2057 55.9747 30.0810 176.1552 36 A 4.3382 8.2218 128.8416 51.4883 17.7296 176.2309 37 E 4.1262 7.6687 123.1440 57.2064 32.0374 176.4676 38 A 3.8570 7.4019 119.7707 54.9428 19.0164 179.5409 39 K 4.0370 7.9319 116.6183 59.5380 31.9658 179.5472 40 S 4.4623 7.6787 115.6358 61.1228 63.0814 176.0182 41 Y 4.4317 7.6243 120.2788 60.7034 37.1189 178.1439 42 F 4.7483 8.1129 122.8531 60.7040 39.3604 177.0549 43 E 3.7665 8.2418 118.4269 59.2419 29.4479 179.4211 44 K 4.1887 8.5894 119.1907 59.0653 32.0273 179.0757 45 S 4.4116 8.2635 113.6080 59.9803 63.0676 175.7012 46 K 4.1959 7.2916 121.6451 57.6592 32.8233 177.3854 47 E 4.2668 8.0266 116.1546 57.2665 29.4076 177.0651 48 Q 4.5525 7.7201 116.6049 55.6053 31.3830 177.6186 49 L 4.0049 7.8008 119.2494 58.1736 42.2531 178.6885 50 T 3.9661 7.8854 115.7106 66.1794 68.4390 175.2083 51 P 4.2836 0.0000 0.0000 65.0523 31.1519 178.5953 52 L 4.0491 7.2740 118.2193 58.6507 40.4989 179.0547 53 I 3.9736 7.3061 120.6682 63.8877 37.3332 178.2402 54 K 4.0976 8.2203 118.9081 58.5456 31.8085 179.1409 55 K 4.0214 8.2415 119.9375 58.8294 32.0307 178.4098 56 A 4.2894 7.9044 121.2250 54.5672 17.3209 179.7743 57 G 3.4613 7.8560 104.7978 47.9683 0.0000 175.3487 58 T 4.1694 7.3702 113.9187 62.9864 67.7185 175.2149 59 E 3.7617 7.7880 120.2992 58.3978 29.6834 177.8398 60 L 4.0290 8.2991 118.9515 58.2734 42.3115 179.6967 61 V 3.5399 7.3161 117.9797 66.5061 31.1650 178.0815 62 N 4.2066 7.8034 115.3017 56.2552 38.4021 177.3048 63 F 4.3811 7.5164 118.9179 60.5158 38.9596 177.6941 64 L 4.1038 8.0326 118.6790 57.6924 41.3657 179.5816 65 S 3.9479 7.7596 112.5921 61.7194 62.3764 175.9589 66 Y 4.3178 7.3608 118.8079 61.0560 37.6702 178.5428 67 F 4.6861 8.1297 118.9941 60.6252 39.0204 177.9191 68 V 3.8025 8.0581 118.0811 65.7738 31.1952 178.0111 69 E 4.0140 8.3617 118.4308 59.3835 29.2278 178.6635 70 L 4.5564 8.0287 115.4052 55.5443 41.9554 178.1081 71 G 4.0451 7.5871 104.1552 45.0637 0.0000 175.0888 72 T 4.3862 7.8430 117.0326 65.6467 69.3824 176.7389 73 Q 4.0424 7.6063 118.2864 58.7225 28.8327 176.7221 74 P 4.3555 0.0000 0.0000 65.3739 31.6523 177.6563 75 A 4.1393 7.9099 119.8924 54.9186 18.7514 177.2504 76 T 4.1242 7.5617 116.3779 63.9911 68.4790 174.4216 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 4 E 8.43 4.38 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 2.21 2.31 0.00 5 P 0.00 4.81 0.00 2.19 2.03 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 6 C 7.49 4.33 0.00 2.96 2.91 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 0.00 0.00 0.00 *9 S 7.88 4.46 0.00 4.01 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 0.00 10 L 7.70 3.67 0.00 1.60 1.45 0.92 0.77 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 11 V 7.54 3.70 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 0.97 0.00 0.00 0.97 0.00 0.00 12 S 7.86 4.25 0.00 4.02 3.95 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 0.00 0.00 0.00 13 Q 7.51 4.09 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 14 Y 7.14 4.65 0.00 3.15 2.87 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 *16 Q 8.04 4.24 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 17 T 8.05 3.82 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 0.88 0.00 0.00 18 V 7.92 3.76 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 1.12 0.00 0.00 1.09 0.00 0.00 19 T 7.72 3.94 4.36 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 1.20 0.00 0.00 20 D 8.06 4.34 0.00 2.55 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.62 0.00 3.27 2.91 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 0.00 0.00 0.00 22 G 8.35 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 23 K 8.15 4.03 0.00 2.04 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.73 7.81 24 D 8.45 4.85 0.00 2.94 2.78 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 0.00 0.00 0.00 25 L 8.20 4.09 0.00 1.92 1.73 0.95 0.80 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 26 M 8.33 4.20 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 27 E 8.25 4.03 0.00 2.23 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 2.33 2.63 0.00 28 K 7.62 4.42 0.00 1.89 1.86 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 29 V 7.32 3.93 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 0.89 0.00 0.00 0.99 0.00 0.00 30 K 8.54 4.63 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 31 S 7.82 4.13 0.00 4.00 4.18 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 0.00 0.00 0.00 0.00 32 P 0.00 4.32 0.00 2.27 2.33 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 33 E 7.85 3.90 0.00 2.33 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 2.50 0.00 34 L 7.26 4.76 0.00 1.48 1.69 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.03 4.04 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.51 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 36 A 8.22 4.34 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 37 E 7.67 4.13 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 38 A 7.40 3.86 1.27 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 0.00 0.00 0.00 39 K 7.93 4.04 0.00 1.79 1.94 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.47 7.81 40 S 7.68 4.46 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 41 Y 7.62 4.43 0.00 3.27 2.99 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 42 F 8.11 4.75 0.00 3.01 3.31 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 43 E 8.24 3.77 0.00 2.25 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 2.30 2.63 0.00 44 K 8.59 4.19 0.00 2.02 1.91 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.72 7.81 45 S 8.26 4.41 0.00 4.13 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 0.00 46 K 7.29 4.20 0.00 1.66 1.74 0.00 1.24 0.00 0.00 1.38 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.23 7.81 47 E 8.03 4.27 0.00 2.07 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 2.32 2.55 0.00 48 Q 7.72 4.55 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 49 L 7.80 4.00 0.00 1.87 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.89 3.97 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 1.19 0.00 0.00 51 P 0.00 4.28 0.00 2.14 2.08 0.00 3.50 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.12 0.00 52 L 7.27 4.05 0.00 1.65 1.80 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.31 3.97 1.99 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 1.52 1.31 0.91 0.00 0.00 54 K 8.22 4.10 0.00 1.96 1.84 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 8.24 4.02 0.00 2.02 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 56 A 7.90 4.29 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 57 G 7.86 3.46 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 0.00 0.00 0.00 0.00 58 T 7.37 4.17 4.17 0.00 0.00 0.00 0.00 0.00 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 59 E 7.79 3.76 0.00 2.11 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 0.00 2.30 2.58 0.00 60 L 8.30 4.03 0.00 1.81 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.32 3.54 2.24 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 0.97 0.00 0.00 0.91 0.00 0.00 62 N 7.80 4.21 0.00 2.67 2.74 0.00 0.00 7.13 8.13 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 63 F 7.52 4.38 0.00 3.08 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.03 4.10 0.00 1.92 1.75 1.11 0.72 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 65 S 7.76 3.95 0.00 3.73 3.65 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 66 Y 7.36 4.32 0.00 3.12 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 67 F 8.13 4.69 0.00 3.30 3.02 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 68 V 8.06 3.80 2.23 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 1.06 0.00 0.00 1.03 0.00 0.00 69 E 8.36 4.01 0.00 2.31 2.04 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 2.31 2.54 0.00 70 L 8.03 4.56 0.00 1.85 1.79 1.10 0.81 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 71 G 7.59 4.05 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 0.00 0.00 0.00 72 T 7.84 4.39 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 1.22 0.00 0.00 73 Q 7.61 4.04 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 74 P 0.00 4.36 0.00 2.05 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 75 A 7.91 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.56 4.12 4.37 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.