NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.1881 8.0093 118.5542 59.5418 37.1516 175.9164 9 S 4.3581 8.3680 121.3639 56.2647 65.2915 173.1419 10 Y 4.1832 8.9535 124.7492 60.6103 38.9330 179.2924 11 A 3.9183 8.1076 121.2180 54.9593 18.6274 179.2307 12 A 3.8736 7.5919 118.3706 55.5435 18.2860 178.8443 13 Y 4.0158 8.4439 118.4186 61.3315 38.7261 178.7582 14 L 3.8638 7.7804 119.1101 57.1236 41.6660 179.0298 15 N 4.1831 7.9861 117.3827 56.5895 38.8828 176.6458 16 V 3.4391 7.6613 119.4339 66.2841 31.4696 177.7674 17 A 3.8063 7.3958 119.5915 55.1814 17.9604 179.5118 18 A 3.8965 7.8329 118.1737 54.4975 18.7910 178.6911 19 Q 4.2471 8.5756 116.5681 56.8265 29.5398 177.2780 20 A 4.2351 8.3314 124.6023 55.8367 18.4762 179.6454 21 I 3.9455 7.6810 115.2664 63.4459 35.3496 178.2787 22 R 4.5019 7.5750 117.9743 59.5881 32.0448 178.2109 23 S 4.2779 8.1212 120.0802 57.9035 60.7912 175.5693 *27 T 4.3827 8.1392 123.4116 61.9817 70.2542 174.1955 28 E 4.5449 7.8481 119.3133 55.2459 31.9668 175.7657 29 L 3.8845 8.5122 119.7865 55.1325 40.1471 175.6978 30 Q 4.4279 7.4173 118.7530 54.8128 27.8489 176.2732 31 T 4.1823 7.2795 114.3322 61.5953 70.5046 172.5034 32 A 3.9931 8.4970 120.2608 55.5870 18.5171 180.1137 33 S 4.1120 7.8905 110.8919 60.6306 63.5498 176.4550 34 V 3.7530 7.7907 124.7291 66.5601 31.4291 177.9900 35 L 4.0440 7.6197 121.5352 59.7903 40.5242 180.5392 36 N 4.9590 8.1477 113.2875 53.9011 38.3054 176.5188 37 R 4.4307 7.6015 119.6608 56.6765 31.2339 177.0845 38 S 4.4861 8.6240 115.9756 59.0922 63.4243 174.4841 39 Q 4.6219 7.9770 121.4605 53.7348 30.9135 180.7396 40 T 4.6979 8.3062 114.3484 58.2654 71.5394 170.8517 41 D 4.6714 8.8194 125.2205 54.0199 41.2699 176.6542 42 A 4.4297 7.7449 121.9798 52.2471 19.6732 176.5198 43 F 4.9829 8.8067 117.7220 55.8046 43.2228 173.8085 44 Y 5.0564 8.9092 120.4416 55.7944 40.8200 174.7856 45 T 5.0135 8.4689 117.0395 62.1003 72.4595 173.4318 46 Q 4.5919 8.9773 127.5564 56.0583 30.8376 173.8931 47 Y 5.1738 8.6432 123.3865 55.8750 41.4820 175.5450 48 K 4.5955 8.7165 126.8475 55.2452 36.3175 174.5737 49 N 4.1685 8.9568 116.0664 53.2216 35.3679 173.8546 *53 A 4.2561 7.6724 120.1218 53.5433 19.8886 179.6344 54 S 4.4561 8.1027 123.4973 59.7258 65.0825 173.5592 55 E 4.9530 8.3399 117.4582 58.8379 33.8042 171.4870 56 P 4.5685 0.0000 0.0000 62.9846 30.4278 174.9812 57 T 3.6387 7.7230 117.2897 55.6834 69.0624 169.8889 58 P 4.6294 0.0000 0.0000 63.4899 31.4418 173.1903 59 I 4.6440 8.4387 122.8209 59.4797 40.1002 174.9899 60 T 3.3910 8.3945 121.3526 61.3723 69.3307 175.0913 61 K 4.3644 7.7017 122.1488 55.1535 31.8006 177.8330 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 8 I 8.01 4.19 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 1.47 1.21 0.91 0.00 0.00 9 S 8.37 4.36 0.00 4.17 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 10 Y 8.95 4.18 0.00 3.01 2.98 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 0.00 0.00 0.00 11 A 8.11 3.92 1.36 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 0.00 0.00 0.00 12 A 7.59 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.02 0.00 2.92 3.07 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 0.00 0.00 0.00 14 L 7.78 3.86 0.00 1.88 1.58 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.99 4.18 0.00 2.73 2.95 0.00 0.00 6.67 7.18 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 16 V 7.66 3.44 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 0.94 0.00 0.00 0.89 0.00 0.00 17 A 7.40 3.81 1.12 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 0.00 0.00 0.00 0.00 0.00 18 A 7.83 3.90 1.34 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 0.00 0.00 0.00 19 Q 8.58 4.25 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 20 A 8.33 4.24 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 21 I 7.68 3.95 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 1.52 0.73 0.91 0.00 0.00 22 R 7.58 4.50 0.00 1.91 1.93 0.00 3.11 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 23 S 8.12 4.28 0.00 3.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.38 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 28 E 7.85 4.54 0.00 1.87 1.81 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 2.19 2.35 0.00 29 L 8.51 3.88 0.00 1.86 1.85 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.42 4.43 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 31 T 7.28 4.18 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 1.23 0.00 0.00 32 A 8.50 3.99 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 33 S 7.89 4.11 0.00 4.03 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 34 V 7.79 3.75 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 1.00 0.00 0.00 0.92 0.00 0.00 35 L 7.62 4.04 0.00 1.71 1.68 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.15 4.96 0.00 2.75 2.88 0.00 0.00 7.06 8.07 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 37 R 7.60 4.43 0.00 1.97 1.96 0.00 3.14 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.06 0.00 38 S 8.62 4.49 0.00 3.95 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 39 Q 7.98 4.62 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 40 T 8.31 4.70 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 41 D 8.82 4.67 0.00 2.72 2.84 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 A 7.74 4.43 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 F 8.81 4.98 0.00 2.83 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 44 Y 8.91 5.06 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 45 T 8.47 5.01 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 1.31 0.00 0.00 46 Q 8.98 4.59 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 47 Y 8.64 5.17 0.00 2.75 2.83 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 0.00 0.00 0.00 48 K 8.72 4.60 0.00 1.39 1.59 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.01 7.81 49 N 8.96 4.17 0.00 2.72 2.82 0.00 0.00 6.57 7.65 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 *53 A 7.67 4.26 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.10 4.46 0.00 3.48 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 55 E 8.34 4.95 0.00 1.70 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.70 0.00 56 P 0.00 4.57 0.00 2.07 1.91 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 57 T 7.72 3.64 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 58 P 0.00 4.63 0.00 1.84 1.91 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 59 I 8.44 4.64 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 1.09 0.41 0.91 0.00 0.00 60 T 8.39 3.39 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 61 K 7.70 4.36 0.00 1.81 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.