NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8422 8.3393 109.7408 45.6304 0.0000 174.7559 *2 S 4.4122 8.4390 114.9989 57.7295 64.7782 175.6078 3 Q 3.7363 7.8054 118.2897 57.6502 28.6092 175.7122 4 F 4.9065 7.0442 118.7040 55.9360 40.1952 175.0461 5 Q 4.7540 8.4163 123.8302 53.2412 31.6861 174.9678 6 E 3.9467 8.6682 120.3434 56.5234 30.0363 176.1004 7 V 4.3068 8.2029 125.5669 60.9980 32.8005 175.5767 8 R 4.2084 8.4028 126.5471 55.3631 31.2432 175.2625 9 P 4.6642 0.0000 0.0000 62.3142 30.2249 175.6417 10 V 4.5127 7.0478 109.9806 59.5490 36.2465 175.9383 11 A 4.0755 8.5675 124.2107 52.7746 18.4072 177.1746 12 Q 4.6172 8.5366 120.1566 53.6616 30.6921 175.6060 13 A 4.2324 8.4303 126.0702 53.4470 19.0045 177.1355 14 L 3.6981 8.5814 118.6749 54.9781 39.0579 174.1128 15 Y 4.9212 7.0356 115.2578 55.1395 41.1919 173.7339 16 P 4.5396 0.0000 0.0000 62.8362 32.3368 175.5109 17 T 4.5113 7.9883 112.4045 60.6227 68.6688 172.6777 18 H 5.0364 8.3977 124.3747 53.1862 31.6619 173.6003 19 P 4.5498 0.0000 0.0000 65.3824 31.5865 177.3120 20 S 4.6739 7.4461 111.4539 56.3044 67.1892 175.5768 21 T 3.9276 8.4570 113.2340 64.5105 68.4538 176.2823 22 K 3.8549 8.1449 122.2210 59.8257 32.1197 178.1734 23 D 4.6099 8.3700 119.9361 56.8227 40.6885 178.7273 24 A 3.8453 8.2051 121.2735 54.9925 18.2765 179.7584 25 L 4.1138 8.1816 117.5733 57.9858 41.8442 179.2901 26 E 3.9509 8.3081 118.5665 59.8041 29.2740 179.5250 27 E 4.0981 8.4413 118.2054 59.2247 29.5378 179.2027 28 A 4.1995 8.3641 121.0647 55.2661 18.0300 179.6959 29 R 3.5657 8.4670 117.4183 59.2558 29.8000 178.7527 30 L 3.9871 7.6485 117.9264 57.5607 41.6293 178.9843 31 L 4.1254 7.5313 118.1097 55.9115 43.0616 177.3102 32 F 4.6988 7.8970 116.2139 55.1441 39.0423 172.8858 33 P 4.4127 0.0000 0.0000 63.5548 32.3283 177.7520 34 G 3.8025 7.8936 107.6257 44.7690 0.0000 173.0073 35 G 4.0631 8.4102 109.0794 45.2246 0.0000 173.9566 36 T 4.4287 7.9183 109.2708 60.7714 71.3676 175.2570 37 H 4.1372 8.7393 121.6199 59.6923 29.9761 176.5849 38 H 4.2511 8.2962 118.4633 59.6560 30.0529 176.4714 39 D 4.5498 8.2168 120.5339 57.1151 40.4866 178.7476 40 F 4.0621 8.2203 117.1412 59.3902 38.8907 176.3633 *42 R 4.0235 7.8838 118.0553 55.9851 31.8195 176.6466 43 A 3.9835 7.9562 120.4421 55.4296 18.5048 179.7444 44 L 4.1576 7.7086 113.7181 55.4828 41.3402 179.3556 *46 G 3.7859 8.1468 110.4257 45.8477 0.0000 175.3403 47 Y 3.6065 7.7803 120.2933 60.5504 38.6865 176.9346 48 H 3.9986 8.4713 119.4753 59.7564 29.8619 176.5749 49 N 4.2833 8.1511 117.1930 56.6864 38.3462 177.4006 50 T 3.6893 7.6039 116.8192 66.5301 68.3019 176.5394 51 L 3.7064 7.4602 121.1578 57.9096 42.1210 178.7745 52 V 3.6284 7.6297 117.6742 65.7337 31.7576 177.6616 53 K 4.0804 7.9137 119.3703 59.3590 31.6182 179.4628 54 V 3.3998 7.6401 115.0437 64.1353 31.0921 177.0833 *56 E 4.2296 8.2254 120.4799 56.6321 31.1749 177.7825 57 E 4.1273 8.1265 113.4171 58.0327 30.0572 179.5334 58 Q 4.3603 7.4105 115.3761 56.4560 29.4474 176.1468 59 C 4.3674 8.1966 113.0002 58.6147 29.8562 173.9159 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 0 G 8.34 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 0.00 0.00 0.00 *2 S 8.44 4.41 0.00 4.02 4.16 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 3 Q 7.81 3.74 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.57 0.00 4 F 7.04 4.91 0.00 3.27 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 5 Q 8.42 4.75 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 6 E 8.67 3.95 0.00 1.92 1.88 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 2.30 2.38 0.00 7 V 8.20 4.31 2.20 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 0.98 0.00 0.00 1.02 0.00 0.00 8 R 8.40 4.21 0.00 1.86 1.85 0.00 3.27 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 9 P 0.00 4.66 0.00 2.17 2.08 0.00 3.71 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 1.98 1.97 0.00 10 V 7.05 4.51 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 0.76 0.00 0.00 0.96 0.00 0.00 11 A 8.57 4.08 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 12 Q 8.54 4.62 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 13 A 8.43 4.23 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 14 L 8.58 3.70 0.00 1.31 1.52 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.04 4.92 0.00 2.84 2.77 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 16 P 0.00 4.54 0.00 2.04 2.06 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 17 T 7.99 4.51 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 1.20 0.00 0.00 18 H 8.40 5.04 0.00 3.25 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.55 0.00 2.07 2.14 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 20 S 7.45 4.67 0.00 4.10 3.94 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 21 T 8.46 3.93 4.28 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 1.27 0.00 0.00 22 K 8.14 3.85 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.57 7.81 23 D 8.37 4.61 0.00 2.94 2.70 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 24 A 8.21 3.85 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 25 L 8.18 4.11 0.00 1.97 1.95 0.98 0.80 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 26 E 8.31 3.95 0.00 2.20 2.01 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 2.34 2.51 0.00 27 E 8.44 4.10 0.00 1.84 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 2.40 2.31 0.00 28 A 8.36 4.20 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.47 3.57 0.00 1.50 1.89 0.00 2.80 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.43 0.00 30 L 7.65 3.99 0.00 1.88 1.70 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.53 4.13 0.00 1.96 1.61 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.90 4.70 0.00 3.23 3.13 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 0.00 0.00 0.00 0.00 33 P 0.00 4.41 0.00 2.13 2.17 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 34 G 7.89 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.41 4.06 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 0.00 0.00 0.00 36 T 7.92 4.43 4.31 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 1.25 0.00 0.00 37 H 8.74 4.14 0.00 3.15 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.30 4.25 0.00 3.24 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.22 4.55 0.00 2.82 2.74 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 40 F 8.22 4.06 0.00 3.21 3.17 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 0.00 *42 R 7.88 4.02 0.00 1.77 2.03 0.00 3.28 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 43 A 7.96 3.98 1.15 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 44 L 7.71 4.16 0.00 1.26 1.42 0.72 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 *46 G 8.15 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.78 3.61 0.00 3.02 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 48 H 8.47 4.00 0.00 3.29 3.28 0.00 5.85 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 49 N 8.15 4.28 0.00 2.72 2.81 0.00 0.00 7.00 7.05 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 50 T 7.60 3.69 3.98 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 0.99 0.00 0.00 51 L 7.46 3.71 0.00 1.14 1.61 0.87 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.63 3.63 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 0.81 0.00 0.00 0.77 0.00 0.00 53 K 7.91 4.08 0.00 1.90 1.87 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 54 V 7.64 3.40 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 0.93 0.00 0.00 0.90 0.00 0.00 *56 E 8.23 4.23 0.00 2.18 2.02 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 2.19 2.42 0.00 57 E 8.13 4.13 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 58 Q 7.41 4.36 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 59 C 8.20 4.37 0.00 3.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.