NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9040 8.3549 109.7363 45.2370 0.0000 172.9290 2 K 4.3337 8.4043 119.4054 52.3049 33.9582 174.5418 3 K 4.4004 8.3395 123.9707 55.6301 35.2479 176.9546 4 S 4.5535 8.1865 116.8603 57.1355 66.0098 175.1901 5 K 3.9089 8.4144 121.2609 59.5273 31.8896 178.3585 6 A 3.9815 7.9047 120.5275 55.5695 18.4153 179.5034 7 T 3.9616 7.7260 113.8384 66.7588 68.4819 176.7986 8 K 3.9764 8.1612 121.5257 59.3759 32.2910 179.1277 9 K 4.0571 8.0938 118.9503 59.2220 31.9293 179.6986 10 R 3.9383 8.0824 118.5310 59.3010 30.2228 179.0690 11 L 4.0511 8.1595 118.5384 57.5313 41.4146 179.5131 12 A 4.0083 8.0191 121.0905 54.8993 18.2271 179.6258 13 K 3.9017 7.9235 117.9970 59.6869 32.1003 179.0555 14 L 3.9747 7.7791 118.1420 57.8291 41.4850 178.7709 15 D 4.4603 8.0534 117.7559 57.3160 41.0630 177.8150 16 N 4.3726 8.0739 117.3643 56.5283 38.7482 176.8440 17 Q 4.0975 8.2563 118.7989 58.0419 28.8355 176.9720 18 N 4.6684 7.4486 116.2988 53.1425 39.1423 174.7177 19 S 4.5169 6.9394 113.8551 57.5443 64.4400 174.0774 20 R 4.0110 8.1137 121.4894 55.6600 30.5381 176.3322 21 V 3.5536 8.0834 122.7762 61.7492 31.9734 174.0676 22 P 4.1184 0.0000 0.0000 62.8708 31.5254 176.7425 23 A 3.9967 8.8504 123.4582 55.4589 18.5579 179.9387 24 W 4.4335 8.0537 112.8978 59.4871 28.3461 178.6867 25 V 3.4206 6.9833 118.6842 65.7615 30.7985 177.8895 26 M 4.0942 7.6001 117.3936 58.0183 31.3921 178.4742 27 L 4.1453 7.7640 118.7194 57.1523 41.8629 179.0553 28 K 3.9057 8.2719 119.7799 59.0844 32.3014 177.6402 29 T 4.1784 7.9607 106.6551 61.1857 69.8464 173.8808 30 D 4.3003 7.9502 121.1642 55.5538 38.5744 170.4725 31 R 3.6344 7.9431 124.0963 55.6406 31.3613 177.6042 *35 R 3.8350 8.2392 121.2984 56.2779 29.8344 172.1945 36 N 4.4924 8.0605 119.2764 52.2681 38.7373 174.6224 37 H 4.5336 8.5192 122.8309 57.0925 29.2019 176.3021 38 K 4.5073 7.6590 118.7300 55.8790 32.2269 176.3167 39 R 3.9528 8.0426 118.8649 56.5599 30.0138 176.0660 40 R 4.6903 7.8735 122.8809 54.4939 32.6759 174.2336 41 H 5.0674 8.2674 121.8198 53.6134 32.8490 174.6163 42 W 4.1682 8.3329 121.5428 58.8900 28.3997 177.0787 43 R 4.0309 6.5154 117.5731 58.0314 30.1576 177.5035 44 R 3.9051 7.7710 115.1813 58.2479 30.2217 176.2947 45 N 4.9658 7.4741 113.6323 51.2445 41.1958 173.1649 46 D 4.7910 8.2565 117.8020 52.7664 43.9084 175.1369 47 T 4.4173 8.2886 116.1279 60.3260 70.8859 173.5191 48 D 4.6208 8.2084 121.1714 54.3480 42.1044 176.8170 49 E 4.1629 8.6694 118.9022 56.8454 28.8682 174.9685 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 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.33 0.00 1.80 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.34 4.40 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.19 4.55 0.00 4.07 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 5 K 8.41 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 3.98 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 7.73 3.96 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 1.24 0.00 0.00 8 K 8.16 3.98 0.00 1.96 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 8.09 4.06 0.00 2.03 1.84 0.00 1.72 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 1.67 7.81 10 R 8.08 3.94 0.00 2.05 1.97 0.00 3.31 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 1.79 0.00 11 L 8.16 4.05 0.00 1.69 1.72 0.93 0.94 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 12 A 8.02 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.90 0.00 1.99 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.49 7.81 14 L 7.78 3.97 0.00 1.87 1.74 0.93 0.88 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 15 D 8.05 4.46 0.00 2.84 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 16 N 8.07 4.37 0.00 2.77 2.90 0.00 0.00 7.23 8.15 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 17 Q 8.26 4.10 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 18 N 7.45 4.67 0.00 2.99 2.87 0.00 0.00 7.18 7.34 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 19 S 6.94 4.52 0.00 3.98 3.85 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 20 R 8.11 4.01 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 V 8.08 3.55 1.97 0.00 0.00 0.00 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 0.86 0.00 0.00 22 P 0.00 4.12 0.00 1.57 2.10 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.69 0.00 23 A 8.85 4.00 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 8.05 4.43 0.00 3.58 3.32 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 25 V 6.98 3.42 1.77 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 0.81 0.00 0.00 -0.30 0.00 0.00 26 M 7.60 4.09 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 27 L 7.76 4.15 0.00 1.93 1.77 1.00 0.90 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 8.27 3.91 0.00 2.07 1.97 0.00 2.13 0.00 0.00 2.01 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.49 7.81 29 T 7.96 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 1.26 0.00 0.00 30 D 7.95 4.30 0.00 2.85 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 31 R 7.94 3.63 0.00 1.97 1.94 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 *35 R 8.24 3.84 0.00 1.73 1.80 0.00 3.24 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 36 N 8.06 4.49 0.00 2.63 2.68 0.00 0.00 7.32 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 8.52 4.53 0.00 3.16 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.66 4.51 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 8.04 3.95 0.00 1.79 1.89 0.00 3.13 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 40 R 7.87 4.69 0.00 1.82 2.02 0.00 3.22 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 41 H 8.27 5.07 0.00 3.11 2.97 0.00 5.92 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.33 4.17 0.00 3.51 3.12 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 43 R 6.52 4.03 0.00 0.67 1.36 0.00 2.46 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 44 R 7.77 3.91 0.00 1.75 1.90 0.00 3.30 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 45 N 7.47 4.97 0.00 2.86 2.73 0.00 0.00 6.71 7.85 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 46 D 8.26 4.79 0.00 2.57 2.48 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 47 T 8.29 4.42 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 8.21 4.62 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 49 E 8.67 4.16 0.00 2.10 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 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.