NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4839 8.4045 118.7933 53.4552 33.9564 175.4612 2 K 4.3547 8.0117 119.2711 55.3642 37.1798 176.7704 3 E 3.9859 9.7906 121.4882 55.9960 28.7675 173.8971 4 G 4.2053 9.1308 103.9253 46.7722 0.0000 174.6378 5 I 4.1230 7.4560 119.8636 61.2016 36.5183 180.6097 *6 H 4.6181 7.9032 118.4246 55.1582 28.1444 177.1716 7 P 4.9263 0.0000 0.0000 63.3184 34.6885 174.4866 8 K 4.4510 7.2229 126.2146 55.7876 38.4450 175.0407 9 L 4.0948 8.9545 127.4158 56.0898 45.5244 172.0533 10 V 3.6571 9.5210 117.5117 61.6964 31.2291 174.5795 11 P 5.0197 0.0000 0.0000 62.9875 33.8233 176.9780 12 A 4.4260 8.2527 122.3874 54.1356 18.2555 179.3154 13 R 4.2956 8.2521 118.3497 58.6575 31.7408 180.1892 14 I 4.3896 8.3780 114.6502 61.0671 36.5504 180.2147 15 I 4.0171 7.4614 124.0888 60.8697 33.7921 178.8681 16 C 3.4301 8.4831 118.6266 57.9495 39.6948 174.8789 17 G 3.8674 8.4550 114.4081 45.1220 0.0000 175.7906 18 C 4.5605 8.1699 128.6967 54.8728 36.9548 173.6205 19 G 3.6672 7.9887 116.9975 46.3007 0.0000 174.1964 20 N 4.5851 8.3809 120.2243 53.8246 37.2367 177.0638 21 V 4.5776 7.5106 114.9222 61.2680 34.1292 180.2893 22 I 3.9165 8.9709 120.4185 64.7590 35.3580 181.9449 23 E 4.7114 8.2623 113.2202 57.6254 36.3879 177.8998 24 T 4.4480 8.3629 111.6405 61.1096 69.9419 175.7168 *25 Y 4.6378 8.1226 129.7663 56.2793 36.2992 174.8487 26 S 4.5428 8.8077 114.8882 60.6601 61.3652 175.7773 27 T 4.0643 7.5192 117.6571 62.3121 68.7991 177.6493 28 K 4.4790 7.9023 126.2339 54.2287 34.6484 176.9442 29 P 4.1361 0.0000 0.0000 64.2968 27.3637 177.8292 30 E 4.2931 8.2813 111.5910 57.0783 29.2004 179.4606 31 I 3.3436 8.6896 118.7776 62.9140 33.4546 177.1374 *32 Y 4.3216 7.9552 124.8849 57.6088 37.5399 177.9367 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 M 8.40 4.48 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 8.01 4.35 0.00 1.71 1.64 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.07 7.81 3 E 9.79 3.99 0.00 2.14 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 2.12 1.86 0.00 4 G 9.13 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.91 0.00 0.00 *6 H 7.90 4.62 0.00 2.92 2.90 0.00 7.11 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.93 0.00 2.02 1.78 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 8 K 7.22 4.45 0.00 1.71 1.44 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.11 0.83 7.81 9 L 8.95 4.09 0.00 1.50 1.32 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.52 3.66 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 5.02 0.00 1.94 1.96 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 12 A 8.25 4.43 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 13 R 8.25 4.30 0.00 1.72 1.65 0.00 3.26 0.00 0.00 3.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 14 I 8.38 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.91 0.00 0.00 15 I 7.46 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.10 0.91 0.00 0.00 16 C 8.48 3.43 0.00 2.72 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 17 G 8.45 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 18 C 8.17 4.56 0.00 2.75 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 19 G 7.99 3.67 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 0.00 0.00 0.00 20 N 8.38 4.59 0.00 2.66 2.80 0.00 0.00 6.62 7.67 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 21 V 7.51 4.58 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 0.90 0.00 0.00 0.93 0.00 0.00 22 I 8.97 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.09 0.91 0.00 0.00 23 E 8.26 4.71 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 24 T 8.36 4.45 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 *25 Y 8.12 4.64 0.00 2.32 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.54 0.00 3.62 3.77 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 0.00 0.00 0.00 0.00 27 T 7.52 4.06 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 28 K 7.90 4.48 0.00 1.76 1.61 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 0.98 7.81 29 P 0.00 4.14 0.00 2.16 2.12 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 30 E 8.28 4.29 0.00 1.98 1.86 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 2.23 1.88 0.00 31 I 8.69 3.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 0.91 0.00 0.00 *32 Y 7.96 4.32 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 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.