NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 V 3.9908 8.0544 120.3173 61.4369 31.7351 174.2747 47 D 4.4075 8.3093 126.7220 52.8016 41.2653 175.4505 48 L 4.1969 9.5265 129.2911 58.0724 42.8412 179.3509 49 Q 4.0354 8.1786 116.4741 58.4493 28.6714 177.3985 50 S 4.4762 7.8213 112.2375 59.0875 63.4663 174.6689 51 L 4.2601 7.4588 120.6594 53.5171 42.1322 175.8457 52 P 4.4480 0.0000 0.0000 62.5898 33.2963 177.6212 53 T 3.9538 8.5516 116.9473 67.1993 68.3490 176.4613 54 R 3.8829 8.0367 119.2175 59.5518 30.2524 178.2059 55 A 3.9901 8.0145 120.0354 55.1461 18.5107 178.6815 56 Y 3.9391 8.4322 118.4072 60.9989 38.8498 178.4676 57 L 3.9250 8.1603 119.7636 57.8866 41.4732 179.2070 58 D 4.3370 8.1071 118.0064 56.9404 40.8483 177.9488 59 Q 4.4440 7.6389 115.4472 55.6894 29.0987 175.4692 60 T 4.3439 7.1433 107.7854 62.7766 70.5647 175.5746 61 V 4.2851 7.7349 113.8351 60.1062 34.2498 178.2081 62 V 3.5178 7.8917 119.1811 65.4601 31.2707 175.9551 63 P 4.1409 0.0000 0.0000 65.6700 31.2484 178.5055 64 I 2.3686 7.1218 116.6958 63.4192 37.5909 177.7520 65 L 3.9333 7.6343 119.4235 57.4695 41.4696 179.0070 66 L 4.0610 7.7806 118.3899 57.8870 41.8993 179.1139 67 Q 4.2294 7.9332 119.5570 58.8583 28.9032 179.1321 68 G 2.8327 8.0743 104.3316 44.8904 0.0000 175.0509 *70 A 4.1962 7.9393 124.9199 51.8685 20.6873 180.2764 71 V 3.5632 7.5892 115.0180 65.8917 31.4410 177.7949 72 L 3.4732 8.1583 120.3370 58.2072 41.6399 178.9698 73 A 3.9546 7.7327 118.9211 54.7010 18.4236 179.1192 74 K 3.9882 7.8460 117.7314 59.5305 32.4134 178.3842 75 E 4.1102 8.1246 117.0454 55.9172 30.8028 176.5050 76 R 3.5884 7.9456 117.5337 56.4371 26.9178 174.1050 77 P 4.4549 0.0000 0.0000 61.5524 32.6126 176.0629 78 P 4.3941 0.0000 0.0000 64.7588 32.0406 176.3586 79 N 5.0685 7.4317 116.7579 49.8062 36.8787 172.9136 80 P 4.2550 0.0000 0.0000 66.8090 31.7842 178.7791 81 I 3.7255 7.7008 119.1044 63.9588 37.0728 177.7589 82 E 3.9360 8.2058 119.6808 59.2347 29.4575 178.2258 83 F 3.9994 8.6418 121.0628 61.4153 39.3864 176.8577 84 L 4.0760 8.5754 119.8884 58.0546 41.8974 178.6860 85 A 4.0013 8.2379 120.7695 55.4495 18.3069 179.7520 86 S 4.0157 8.2703 113.8236 61.7983 62.8469 176.3441 87 Y 3.6379 8.0585 122.2863 60.5242 38.3910 178.1222 88 L 4.0489 8.1936 119.9288 57.9385 41.5396 179.5963 89 L 4.0610 7.5965 117.5899 57.6501 41.6097 179.2215 90 K 4.0412 8.0243 118.8373 58.5001 32.2729 177.1691 91 N 4.8251 7.6617 114.4579 52.5951 39.2691 176.4831 92 K 4.0632 7.7591 119.9312 60.1174 32.5577 178.8289 93 A 3.9727 8.0532 121.3608 55.1983 18.0235 179.4063 94 Q 3.9230 7.8470 115.2489 57.8821 28.7214 177.8009 95 F 4.6714 7.8687 115.9495 56.6258 40.0822 175.1787 96 E 4.3830 7.7534 116.9060 56.0164 29.7107 175.0289 97 D 4.5397 8.0037 121.9555 55.3338 41.0542 176.0657 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 46 V 8.05 3.99 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 47 D 8.31 4.41 0.00 2.88 2.62 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 48 L 9.53 4.20 0.00 1.90 2.06 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.18 4.04 0.00 2.17 2.15 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 2.42 2.48 0.00 50 S 7.82 4.48 0.00 4.02 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 51 L 7.46 4.26 0.00 1.86 1.69 1.00 1.51 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 52 P 0.00 4.45 0.00 2.18 1.99 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 53 T 8.55 3.95 4.27 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 1.25 0.00 0.00 54 R 8.04 3.88 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 55 A 8.01 3.99 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 56 Y 8.43 3.94 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.92 0.00 1.91 1.70 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.11 4.34 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.44 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 60 T 7.14 4.34 4.03 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 0.69 0.00 0.00 61 V 7.73 4.29 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 0.68 0.00 0.00 0.95 0.00 0.00 62 V 7.89 3.52 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 1.13 0.00 0.00 0.93 0.00 0.00 63 P 0.00 4.14 0.00 2.30 2.25 0.00 3.61 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 2.18 2.17 0.00 64 I 7.12 2.37 1.33 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.84 0.00 0.00 65 L 7.63 3.93 0.00 1.78 1.65 0.92 0.84 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 66 L 7.78 4.06 0.00 1.69 1.69 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.93 4.23 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 68 G 8.07 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 0.00 0.00 0.00 *70 A 7.94 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.59 3.56 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 1.20 0.00 0.00 0.91 0.00 0.00 72 L 8.16 3.47 0.00 1.84 1.60 0.69 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.73 3.95 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 74 K 7.85 3.99 0.00 1.73 1.97 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 75 E 8.12 4.11 0.00 1.69 1.82 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 2.29 2.47 0.00 76 R 7.95 3.59 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 77 P 0.00 4.45 0.00 2.32 1.86 0.00 3.37 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.61 0.00 78 P 0.00 4.39 0.00 2.21 2.22 0.00 3.71 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 2.01 1.96 0.00 79 N 7.43 5.07 0.00 3.01 3.00 0.00 0.00 6.55 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.25 0.00 2.28 2.30 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 81 I 7.70 3.73 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.94 0.00 0.00 82 E 8.21 3.94 0.00 2.07 2.15 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 2.41 2.40 0.00 83 F 8.64 4.00 0.00 3.29 3.22 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 84 L 8.58 4.08 0.00 1.99 1.88 0.94 1.07 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 85 A 8.24 4.00 1.41 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 0.00 0.00 86 S 8.27 4.02 0.00 3.82 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 87 Y 8.06 3.64 0.00 2.95 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 88 L 8.19 4.05 0.00 2.04 1.72 1.05 0.49 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 89 L 7.60 4.06 0.00 1.71 1.69 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.02 4.04 0.00 1.64 1.64 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.35 7.81 91 N 7.66 4.83 0.00 2.56 2.77 0.00 0.00 6.72 6.66 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 92 K 7.76 4.06 0.00 2.06 2.27 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.59 7.81 93 A 8.05 3.97 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 94 Q 7.85 3.92 0.00 1.84 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 95 F 7.87 4.67 0.00 3.01 3.04 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 0.00 0.00 0.00 96 E 7.75 4.38 0.00 2.09 2.37 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 2.15 2.15 0.00 97 D 8.00 4.54 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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.