NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8663 8.3549 109.7361 45.2782 0.0000 173.0108 2 K 4.2585 8.4059 119.8717 52.4436 33.1812 174.5941 3 K 4.3995 8.2800 124.2484 55.4025 35.1323 177.1116 4 S 4.4757 8.2887 117.8076 57.3824 65.6437 175.1339 5 K 3.9085 8.4586 121.4195 59.5720 31.8833 178.4116 6 A 3.9973 7.8984 120.6010 55.4811 18.3683 179.5081 7 T 3.8441 7.8344 114.0142 66.6578 68.3801 176.7778 8 K 3.9517 8.1267 121.6464 59.2423 32.1825 179.1143 9 K 3.9566 7.9225 118.7456 59.4685 32.0139 179.4669 10 R 3.9223 8.0358 118.2187 59.4188 30.1400 179.1837 11 L 4.0245 8.2438 118.6594 57.5134 41.5411 179.4368 12 A 3.9757 8.2392 121.0215 54.9885 18.2877 179.4833 13 K 3.8330 8.1533 118.0908 59.8395 32.0866 178.7918 14 L 4.2432 7.6658 119.0241 57.2418 41.8016 178.8994 15 D 4.4560 8.0212 117.4150 57.3863 41.0987 177.8114 16 N 4.3505 8.1448 117.6070 56.7625 38.9587 176.6818 17 Q 4.1604 8.5274 119.2606 58.0608 28.5598 177.2833 18 N 4.7647 7.8223 116.1640 52.9718 39.0270 175.1686 19 S 4.4347 7.0793 115.8700 57.1472 64.2478 174.0919 20 R 4.0677 8.1307 122.5646 55.5922 30.7187 175.9191 21 V 3.6160 7.9705 120.6948 61.3534 31.8757 173.8424 22 P 4.1445 0.0000 0.0000 62.8890 31.7954 176.7254 23 A 3.9736 8.7536 122.0454 55.3869 18.3069 180.2455 24 W 4.3630 8.2278 114.2796 59.6918 27.8435 178.3580 25 V 3.5531 6.9012 119.4467 65.8926 30.8289 177.8600 26 M 4.0285 7.8986 118.6982 58.1594 31.7669 178.7360 27 L 4.0386 7.8441 118.7523 57.5078 41.7843 179.1569 28 K 3.9884 8.0906 119.1205 59.6562 32.1861 177.6861 29 T 4.1473 8.1634 105.8795 61.3949 69.6437 173.8015 30 D 4.2765 8.2557 121.1236 55.9105 38.7372 170.9454 31 R 3.4281 8.3782 122.3011 55.8010 31.1313 177.2975 *35 R 3.8416 8.3420 119.6175 56.1998 30.1949 174.9436 36 N 4.5098 8.0434 122.9489 52.1013 37.6403 175.1128 37 H 4.5033 8.2234 119.8465 56.9795 28.9640 176.3329 38 K 4.5222 7.7422 117.9700 55.8668 32.3022 176.3511 39 R 3.9629 7.6804 119.1699 56.4589 30.1749 176.1865 40 R 4.5538 8.4418 122.5439 54.5805 32.9299 173.7419 41 H 4.8840 8.5112 124.5752 54.0663 31.3675 175.7054 42 W 4.1975 8.4443 122.8126 59.2483 28.0571 177.1352 43 R 3.7961 5.9086 117.8825 58.1586 29.9353 177.3852 44 R 3.8850 7.7117 116.0757 58.4168 30.2596 176.5706 45 N 4.8870 7.7174 113.7096 51.3499 40.9208 173.4197 46 D 4.7078 8.2208 117.9503 52.7496 43.5969 175.3560 47 T 4.3252 8.3424 116.7428 60.4597 70.3789 173.4530 48 D 4.5531 8.2151 121.9443 54.5093 41.8322 176.7336 49 E 4.1131 8.6126 118.4977 57.1584 29.2156 174.7788 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 1 G 8.35 3.87 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 0.00 0.00 0.00 2 K 8.41 4.26 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 K 8.28 4.40 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.29 4.48 0.00 4.07 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 5 K 8.46 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 4.00 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 7 T 7.83 3.84 4.46 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 1.27 0.00 0.00 8 K 8.13 3.95 0.00 2.02 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.92 3.96 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.77 7.81 10 R 8.04 3.92 0.00 2.13 1.98 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 11 L 8.24 4.02 0.00 1.82 1.72 0.92 1.32 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 12 A 8.24 3.98 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 K 8.15 3.83 0.00 1.84 2.01 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.67 4.24 0.00 1.85 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.02 4.46 0.00 2.83 2.86 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 0.00 0.00 0.00 16 N 8.14 4.35 0.00 2.85 2.95 0.00 0.00 7.27 6.68 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 17 Q 8.53 4.16 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 18 N 7.82 4.76 0.00 2.82 2.88 0.00 0.00 6.98 6.99 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 19 S 7.08 4.43 0.00 3.92 3.86 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 0.00 0.00 0.00 20 R 8.13 4.07 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 V 7.97 3.62 1.96 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 0.67 0.00 0.00 0.82 0.00 0.00 22 P 0.00 4.14 0.00 1.33 1.97 0.00 3.47 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 1.14 1.47 0.00 23 A 8.75 3.97 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 24 W 8.23 4.36 0.00 3.57 3.35 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 25 V 6.90 3.55 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 0.94 0.00 0.00 -0.23 0.00 0.00 26 M 7.90 4.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 27 L 7.84 4.04 0.00 1.91 1.77 0.99 0.63 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 28 K 8.09 3.99 0.00 2.08 1.99 0.00 2.04 0.00 0.00 2.04 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.48 7.81 29 T 8.16 4.15 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 1.28 0.00 0.00 30 D 8.26 4.28 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.38 3.43 0.00 1.87 1.92 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 *35 R 8.34 3.84 0.00 1.75 1.77 0.00 3.25 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 36 N 8.04 4.51 0.00 2.64 2.67 0.00 0.00 7.12 7.89 0.00 0.00 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 H 8.22 4.50 0.00 3.16 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.74 4.52 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.38 7.81 39 R 7.68 3.96 0.00 1.77 1.89 0.00 3.08 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 40 R 8.44 4.55 0.00 1.72 1.96 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.51 4.88 0.00 3.14 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.44 4.20 0.00 3.50 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 43 R 5.91 3.80 0.00 0.67 1.23 0.00 2.51 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.14 0.00 44 R 7.71 3.88 0.00 1.74 1.91 0.00 3.32 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 45 N 7.72 4.89 0.00 2.90 2.74 0.00 0.00 6.72 8.22 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 46 D 8.22 4.71 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.33 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 1.24 0.00 0.00 48 D 8.22 4.55 0.00 2.70 2.67 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 49 E 8.61 4.11 0.00 2.14 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 2.20 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.