NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0833 8.0244 121.4485 61.1779 38.4574 174.2248 17 V 3.9227 8.3148 125.3719 61.9011 32.5898 173.7992 18 G 3.9220 9.0484 114.9636 46.4913 0.0000 173.3886 19 G 4.2500 7.8108 110.3413 44.1783 0.0000 172.9946 20 Y 4.8843 7.6224 116.6607 55.0879 40.2528 174.8724 21 T 3.9363 8.5128 117.9633 63.8047 68.9352 176.2136 22 C 4.2899 8.7490 124.9215 58.6362 35.2812 175.3055 23 G 3.9557 7.7918 103.6724 45.1649 0.0000 172.6239 24 A 3.9757 8.4478 125.6736 53.6952 18.5355 176.8171 25 N 4.2095 8.7856 119.5817 54.5938 36.1049 175.3504 26 T 4.2161 7.5914 107.5334 62.6092 69.8960 175.2021 27 V 4.0920 7.0565 122.3728 60.2951 31.0866 173.5683 28 P 4.3242 0.0000 0.0000 64.1574 32.1121 177.6450 29 Y 4.4268 6.8076 116.3441 57.2902 38.7837 174.6500 30 Q 4.5132 7.1856 123.3251 56.1231 29.6522 175.1976 31 V 4.4701 8.5973 125.7726 61.0807 34.8903 173.7775 32 S 4.7423 8.5195 120.7761 56.5276 64.3112 172.8567 33 L 4.4788 8.5610 127.7605 53.3242 43.2889 175.0050 34 N 5.9661 8.9833 122.5581 49.9770 41.9269 174.9007 *37 S 4.2331 8.3549 121.1646 58.3599 64.0320 174.4551 38 G 4.0232 9.1376 106.2582 45.7263 0.0000 172.0211 39 Y 4.5665 6.6446 115.9858 56.3324 40.8081 172.5568 40 H 4.7081 9.1419 121.9465 56.1112 30.2668 174.8324 41 F 4.9739 8.1749 121.1336 57.0201 39.9161 174.2361 42 C 4.6957 6.5691 116.7851 55.7314 44.8137 173.8272 43 G 4.0803 8.2480 108.8024 45.6945 0.0000 171.9840 44 G 4.2311 7.5441 103.2812 46.0069 0.0000 172.6709 45 S 5.4532 8.4793 115.0309 56.4727 67.0115 173.6671 46 L 4.7410 9.1226 127.7978 54.8294 41.9374 176.4709 47 I 4.3691 8.6153 119.3144 60.8611 38.8849 174.3289 48 N 4.7455 7.5541 117.4733 52.1839 39.3660 174.9113 49 S 4.2744 8.7807 112.1083 60.4837 63.0380 174.6305 50 Q 4.5368 8.6954 118.1644 55.2054 30.2037 175.3578 51 W 5.1064 8.2145 117.8087 54.6619 32.9055 174.0257 52 V 4.9276 8.5428 121.0929 61.1771 33.9499 174.5047 53 V 4.4283 8.6615 127.0902 61.8209 33.5171 174.7909 54 S 4.8345 8.2673 120.2435 57.5275 65.6077 172.2726 55 A 4.4692 8.5356 121.1277 50.9346 19.9451 178.5001 56 A 4.1102 8.6737 124.6745 55.5491 18.6025 179.1967 57 H 4.5801 8.1547 108.6399 57.3489 28.7942 176.5437 58 C 4.6725 7.9821 117.1911 57.5183 40.5072 173.3213 59 Y 4.2132 7.8250 122.4522 57.8179 38.6882 175.1854 60 K 3.8348 7.2257 124.1254 56.0355 35.0466 174.5522 61 S 4.3143 8.0334 114.1759 57.9829 64.7801 173.1869 62 G 3.6213 8.3420 106.0103 46.6652 0.0000 173.7380 63 I 4.4116 7.5645 118.7018 59.6425 39.1369 176.0348 64 Q 4.3784 8.6214 128.2720 54.1862 31.3778 175.4909 *964 V 4.1015 8.3291 124.9717 63.2666 31.3867 174.8596 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 16 I 8.02 4.08 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.87 0.00 0.00 17 V 8.31 3.92 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 0.94 0.00 0.00 18 G 9.05 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.81 4.25 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 0.00 20 Y 7.62 4.88 0.00 3.00 2.85 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 21 T 8.51 3.94 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 22 C 8.75 4.29 0.00 2.89 3.10 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 23 G 7.79 3.96 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 0.00 0.00 0.00 24 A 8.45 3.98 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 25 N 8.79 4.21 0.00 2.86 2.88 0.00 0.00 7.14 7.52 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 26 T 7.59 4.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 27 V 7.06 4.09 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 0.42 0.00 0.00 0.82 0.00 0.00 28 P 0.00 4.32 0.00 2.23 2.14 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 29 Y 6.81 4.43 0.00 3.25 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.19 4.51 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 31 V 8.60 4.47 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 32 S 8.52 4.74 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.48 0.00 0.42 0.86 0.77 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.98 5.97 0.00 2.73 2.69 0.00 0.00 6.77 7.20 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 *37 S 8.35 4.23 0.00 3.83 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 38 G 9.14 4.02 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 0.00 39 Y 6.64 4.57 0.00 3.32 3.03 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 0.00 0.00 0.00 40 H 9.14 4.71 0.00 3.10 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.17 4.97 0.00 3.15 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 C 6.57 4.70 0.00 2.31 2.76 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 43 G 8.25 4.08 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 0.00 44 G 7.54 4.23 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 0.00 45 S 8.48 5.45 0.00 3.81 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 46 L 9.12 4.74 0.00 1.68 1.68 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.62 4.37 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.92 0.00 0.00 48 N 7.55 4.75 0.00 2.99 3.00 0.00 0.00 6.15 7.66 0.00 0.00 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 S 8.78 4.27 0.00 4.02 4.07 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 50 Q 8.70 4.54 0.00 2.22 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 51 W 8.21 5.11 0.00 3.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.54 4.93 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 0.85 0.00 0.00 0.96 0.00 0.00 53 V 8.66 4.43 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 0.89 0.00 0.00 0.96 0.00 0.00 54 S 8.27 4.83 0.00 3.87 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 55 A 8.54 4.47 1.18 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 0.00 0.00 56 A 8.67 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.58 0.00 3.30 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.98 4.67 0.00 3.23 3.30 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 0.00 59 Y 7.83 4.21 0.00 3.05 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 60 K 7.23 3.83 0.00 1.53 1.40 0.00 0.72 0.00 0.00 1.31 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 1.01 7.81 61 S 8.03 4.31 0.00 3.92 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 62 G 8.34 3.62 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 0.00 0.00 0.00 63 I 7.56 4.41 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.94 0.00 0.00 64 Q 8.62 4.38 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 *964 V 8.33 4.10 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 0.76 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.