NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0495 8.0549 120.3908 62.8795 32.6329 174.5391 2 T 4.3226 8.4372 123.0605 59.9032 71.1864 171.8019 3 S 4.8129 8.9941 121.4389 56.5303 67.1286 172.6050 4 Y 4.7652 8.3242 117.8685 56.6249 41.5040 174.7675 5 T 4.7876 8.3943 117.1183 60.3665 70.7675 172.5471 6 L 4.7153 8.1801 126.5432 53.9423 45.1568 174.7941 7 S 4.6845 8.1464 117.6031 57.5284 65.8841 172.1994 8 D 4.4944 8.0742 118.7724 53.7208 43.6696 174.8166 9 V 4.0823 8.1899 116.1745 60.0824 32.4712 176.1337 10 V 4.2888 8.1633 123.9941 61.0775 33.6593 175.6729 11 S 4.5061 8.4032 123.2767 56.5927 62.1451 174.2067 12 L 3.9233 8.3984 129.4052 58.7162 41.3943 178.5411 13 K 3.8517 8.0875 117.3714 59.4473 32.0684 177.4831 14 D 4.6184 8.0695 117.0198 55.0193 41.1230 177.2638 15 V 4.1827 7.6317 111.6007 62.1713 33.4050 176.4527 16 V 4.3709 7.3509 110.4895 58.5300 33.7152 173.5132 17 P 4.6203 0.0000 0.0000 62.1263 32.1897 176.3953 18 E 3.9636 8.8200 117.9323 58.3864 29.4752 177.8091 19 W 4.7036 8.0307 117.1780 54.8838 31.0773 175.3406 20 V 4.6703 8.2512 114.5208 59.8181 35.3275 174.6048 21 R 4.7347 8.3919 119.1590 54.3529 32.6764 175.6689 22 I 4.5100 7.5728 113.5797 59.1279 40.3800 175.7400 23 G 3.7193 7.2816 107.5603 45.9018 0.0000 172.2912 24 F 4.9521 8.3628 116.7544 55.6818 42.4648 174.3713 25 S 4.6838 8.4281 115.6626 56.7681 65.4786 172.9785 26 A 4.6531 8.1606 126.9323 51.0597 21.9555 175.4323 27 T 4.7331 7.9021 108.9071 60.2983 71.9292 172.8868 28 T 4.9379 8.2844 111.3410 60.0334 72.9696 174.6225 29 G 4.1321 8.2535 112.3452 45.2362 0.0000 175.1712 30 A 4.1791 8.9628 125.5056 54.1243 18.8242 177.6116 31 E 4.4542 7.9469 114.6653 55.0206 31.4592 174.4867 32 Y 4.9202 6.9074 118.2643 56.3356 41.1484 173.2032 33 A 4.4253 8.1452 119.9505 51.6107 21.6151 175.5003 34 A 4.4348 8.4080 122.6783 51.4440 19.9285 176.9739 35 H 4.8263 8.6506 118.3533 54.0205 30.9693 173.3572 36 E 4.6715 8.5031 122.8941 54.2774 33.2878 175.1001 37 V 4.1679 8.0653 120.3428 61.1314 33.6575 175.3336 38 L 4.4692 8.3775 125.9125 55.7801 42.8919 176.4527 39 S 4.7509 7.6258 110.2440 56.8582 65.3114 172.8853 40 W 5.4717 8.5763 134.3083 56.4493 33.3684 173.8698 41 S 4.8301 8.9299 119.3434 56.6427 65.6878 172.8764 42 F 4.8596 8.1643 121.6314 57.2522 42.0924 173.0698 43 H 4.6060 7.4553 125.8967 54.2877 32.6843 172.4443 44 S 4.4033 7.8795 119.9209 56.2124 65.8139 173.0264 45 E 4.3343 8.3497 121.8590 54.4681 31.8782 174.0816 46 L 4.5530 8.3999 128.1564 53.4478 43.3782 176.0855 47 S 4.2096 8.6004 122.0989 60.0782 63.5451 174.5504 *48 G 3.7274 7.9629 113.8077 45.6913 0.0000 172.5843 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 V 8.05 4.05 2.07 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 0.97 0.00 0.00 0.93 0.00 0.00 2 T 8.44 4.32 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 1.00 0.00 0.00 3 S 8.99 4.81 0.00 3.89 3.75 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 4 Y 8.32 4.77 0.00 2.91 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 5 T 8.39 4.79 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 1.23 0.00 0.00 6 L 8.18 4.72 0.00 1.61 1.49 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.15 4.68 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.07 4.49 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.19 4.08 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 10 V 8.16 4.29 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 0.86 0.00 0.00 0.94 0.00 0.00 11 S 8.40 4.51 0.00 4.14 4.01 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 0.00 0.00 0.00 12 L 8.40 3.92 0.00 1.70 1.77 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.09 3.85 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.53 7.81 14 D 8.07 4.62 0.00 2.80 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 15 V 7.63 4.18 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 0.70 0.00 0.00 1.03 0.00 0.00 16 V 7.35 4.37 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 0.76 0.00 0.00 0.98 0.00 0.00 17 P 0.00 4.62 0.00 2.25 2.11 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 18 E 8.82 3.96 0.00 2.05 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 2.27 2.34 0.00 19 W 8.03 4.70 0.00 3.26 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 20 V 8.25 4.67 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 0.79 0.00 0.00 0.93 0.00 0.00 21 R 8.39 4.73 0.00 1.76 1.80 0.00 3.15 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 22 I 7.57 4.51 1.75 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 0.72 0.00 0.00 23 G 7.28 3.72 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 0.00 0.00 0.00 24 F 8.36 4.95 0.00 2.80 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 25 S 8.43 4.68 0.00 3.76 3.66 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 0.00 0.00 0.00 0.00 26 A 8.16 4.65 0.97 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.90 4.73 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 1.20 0.00 0.00 28 T 8.28 4.94 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 29 G 8.25 4.13 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 0.00 0.00 0.00 30 A 8.96 4.18 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 31 E 7.95 4.45 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 32 Y 6.91 4.92 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.43 1.12 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 0.00 0.00 34 A 8.41 4.43 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 35 H 8.65 4.83 0.00 3.02 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.50 4.67 0.00 1.83 1.74 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 2.16 2.22 0.00 37 V 8.07 4.17 1.72 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 0.41 0.00 0.00 -0.04 0.00 0.00 38 L 8.38 4.47 0.00 1.63 1.70 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.63 4.75 0.00 3.83 3.76 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 40 W 8.58 5.47 0.00 3.29 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 41 S 8.93 4.83 0.00 3.99 3.83 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 42 F 8.16 4.86 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.46 4.61 0.00 2.94 2.91 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.88 4.40 0.00 3.87 3.57 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 45 E 8.35 4.33 0.00 1.81 1.75 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 2.14 2.24 0.00 46 L 8.40 4.55 0.00 1.48 1.44 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.60 4.21 0.00 3.87 3.88 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 0.00 0.00 0.00 *48 G 7.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.