NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8403 8.2133 109.7200 45.3235 0.0000 174.1941 3 K 3.6825 8.5358 119.1543 57.5500 31.9102 175.7549 4 G 3.4405 7.5592 107.0404 45.4474 0.0000 173.3538 5 D 4.4376 8.4016 120.9036 53.0433 40.0780 176.3887 6 R 3.9463 8.5738 126.1694 59.4445 30.4250 178.3765 7 R 3.7024 7.5851 115.7762 55.5985 29.9028 176.0757 8 T 4.6878 7.2180 106.8965 59.3544 73.4618 172.7728 9 R 4.0614 8.6808 120.1384 60.0423 29.9774 178.3265 10 R 4.0844 8.0812 116.9576 59.2797 30.0831 178.9922 11 G 4.2984 8.1397 106.7266 47.2758 0.0000 175.8247 12 K 3.9819 8.1249 119.8683 59.1379 32.4936 178.9397 13 I 3.7431 8.0138 120.5328 64.4001 36.8849 177.8106 14 W 4.1325 8.4752 127.5137 60.7335 30.7782 177.4752 15 R 4.0809 8.1162 115.2610 55.7875 29.3392 179.2331 16 G 3.7795 8.4243 107.8224 46.4713 0.0000 174.6181 17 T 4.0363 7.4286 109.0711 61.6942 69.4728 171.8999 18 Y 4.9642 8.6848 117.9525 56.5271 42.4034 174.6166 19 G 3.8865 8.7553 106.3266 45.3193 0.0000 172.2890 20 K 3.6428 8.5562 120.7550 60.2475 31.8393 178.2678 21 Y 4.2860 7.8953 111.8901 58.6725 37.9468 176.5878 22 R 4.5655 7.9518 117.3407 55.5709 32.0812 171.7309 23 P 4.8955 0.0000 0.0000 61.5382 32.4881 177.1350 24 R 3.6994 8.0001 119.0623 56.2575 29.5469 177.8940 25 K 3.7759 7.8577 120.2138 56.1410 30.8240 177.4472 *26 K 4.1215 8.3682 119.3758 55.2646 32.3269 171.8934 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 G 8.21 3.84 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 0.00 0.00 0.00 3 K 8.54 3.68 0.00 1.40 0.99 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 4 G 7.56 3.44 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 0.00 5 D 8.40 4.44 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.57 3.95 0.00 1.79 1.99 0.00 3.27 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 7 R 7.59 3.70 0.00 1.38 0.75 0.00 2.96 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.40 0.00 8 T 7.22 4.69 4.22 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 1.21 0.00 0.00 9 R 8.68 4.06 0.00 1.99 1.97 0.00 3.49 0.00 0.00 3.40 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 10 R 8.08 4.08 0.00 1.89 2.00 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 11 G 8.14 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.98 0.00 2.05 1.86 0.00 1.70 0.00 0.00 1.99 0.00 0.00 3.34 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.56 7.81 13 I 8.01 3.74 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.92 0.00 0.00 14 W 8.48 4.13 0.00 3.31 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.12 4.08 0.00 1.93 1.98 0.00 3.47 0.00 0.00 3.29 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 16 G 8.42 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 0.00 0.00 0.00 17 T 7.43 4.04 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 18 Y 8.68 4.96 0.00 2.96 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 19 G 8.76 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.56 3.64 0.00 1.60 1.63 0.00 1.62 0.00 0.00 1.26 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.65 1.23 7.81 21 Y 7.90 4.29 0.00 3.07 3.06 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 22 R 7.95 4.57 0.00 1.87 1.88 0.00 3.00 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 23 P 0.00 4.90 0.00 2.08 1.94 0.00 3.78 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 2.02 2.39 0.00 24 R 8.00 3.70 0.00 1.56 1.57 0.00 3.10 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 25 K 7.86 3.78 0.00 1.88 1.90 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.42 7.81 *26 K 8.37 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.