NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0534 8.0393 120.3928 62.2403 32.8725 175.6958 3 S 4.1213 8.4100 121.2834 57.9527 64.6433 174.0459 4 K 3.8575 8.7902 123.2480 59.7563 32.2832 180.3287 5 L 3.9236 7.9119 119.7714 58.4017 42.1363 178.7819 6 S 4.2251 8.0453 112.9434 61.3155 62.2635 175.9557 7 Q 3.9067 8.2841 122.3612 59.1041 28.8597 177.7408 8 L 3.9425 8.3099 121.7731 58.2932 42.0572 178.8925 9 Q 3.9975 8.2324 117.8256 59.3851 28.7138 179.1200 10 T 3.8546 7.7679 116.1970 66.6683 68.4708 176.6338 11 E 3.9659 8.1491 120.4392 59.5067 29.5069 179.5042 12 L 3.9864 8.0892 119.0262 57.6744 41.6636 179.4015 13 L 3.9604 8.0427 120.1778 57.9355 41.9642 178.8857 14 A 3.9510 8.1019 120.6161 55.1027 18.3675 179.2384 15 A 3.9301 8.1627 119.3972 55.4385 18.1370 179.9646 16 L 3.9182 7.7246 116.2989 57.9958 41.8324 179.3679 17 L 4.1243 7.7016 117.6433 57.8062 41.6104 178.9147 18 E 4.0816 8.2423 118.7796 58.9751 29.5690 178.9163 19 S 4.1449 7.6370 113.6891 59.9787 63.6313 174.1479 *21 L 4.0258 7.2805 123.1991 53.6647 42.6913 176.9935 22 S 4.4190 8.3493 121.0927 58.0357 65.2073 175.3442 23 K 4.0115 8.5097 122.8993 59.9641 32.4562 179.1417 24 E 3.9242 8.1144 119.4186 59.3136 29.3556 179.1093 25 A 3.9957 7.9568 120.0982 55.3067 18.4454 179.5806 26 L 3.9796 7.7138 117.3657 57.9253 41.7001 179.8295 27 I 3.7633 8.1931 120.5559 64.0533 36.7486 178.4561 28 Q 3.9890 8.0962 117.9502 59.3527 28.3269 178.2314 29 A 4.2239 8.2580 123.1915 54.7003 18.4157 179.4024 30 L 4.2103 8.4758 119.3098 58.1188 41.9326 179.1897 31 G 3.9267 8.0078 104.9809 47.7519 0.0000 174.7508 32 E 4.1775 7.8976 116.4059 57.2217 29.3038 177.0028 33 W 4.2376 8.1964 125.0798 56.7492 29.5775 175.3780 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 2 V 8.04 4.05 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 1.01 0.00 0.00 0.93 0.00 0.00 3 S 8.41 4.12 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 3.86 0.00 1.86 1.91 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.57 7.81 5 L 7.91 3.92 0.00 1.71 1.68 0.94 0.84 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 6 S 8.05 4.23 0.00 3.96 3.96 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 0.00 0.00 0.00 0.00 7 Q 8.28 3.91 0.00 2.37 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 8 L 8.31 3.94 0.00 1.83 1.86 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.23 4.00 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 10 T 7.77 3.85 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 1.21 0.00 0.00 11 E 8.15 3.97 0.00 2.03 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 2.33 2.49 0.00 12 L 8.09 3.99 0.00 2.03 1.72 0.97 0.37 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 13 L 8.04 3.96 0.00 1.86 1.79 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.10 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.93 1.39 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 0.00 0.00 0.00 16 L 7.72 3.92 0.00 1.81 1.75 0.93 1.07 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 17 L 7.70 4.12 0.00 1.80 1.73 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.24 4.08 0.00 2.05 2.16 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 2.32 2.36 0.00 19 S 7.64 4.14 0.00 4.09 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 *21 L 7.28 4.03 0.00 1.74 1.67 0.93 0.92 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 22 S 8.35 4.42 0.00 4.09 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 0.00 23 K 8.51 4.01 0.00 2.00 2.11 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.53 7.81 24 E 8.11 3.92 0.00 2.12 2.05 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 2.34 2.39 0.00 25 A 7.96 4.00 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 26 L 7.71 3.98 0.00 1.83 1.72 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.19 3.76 2.04 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 1.58 1.18 0.93 0.00 0.00 28 Q 8.10 3.99 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 29 A 8.26 4.22 1.46 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 0.00 0.00 0.00 30 L 8.48 4.21 0.00 1.95 1.72 0.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.90 4.18 0.00 1.83 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 2.31 2.39 0.00 33 W 8.20 4.24 0.00 3.56 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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.