NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7509 8.3249 122.8242 58.3205 40.8242 175.4783 2 V 4.0038 5.9657 120.7206 59.4571 32.3096 176.9606 3 N 4.2722 8.4690 120.1266 56.0046 37.8633 175.6733 4 Q 4.0437 8.0097 120.0745 59.0104 28.6907 177.9778 5 H 4.1417 8.1051 118.7429 59.3184 29.5247 177.2341 6 L 3.9465 7.8903 120.8225 57.7737 41.3615 178.9264 7 C 4.2365 8.7432 119.2225 62.4948 31.4709 175.7349 8 G 3.7116 8.4228 107.6123 47.9501 0.0000 175.4835 9 S 3.9493 7.7166 115.3005 61.5763 62.3479 176.0979 10 H 4.1652 7.9087 118.2785 58.4348 28.3964 177.4884 11 L 3.9107 8.1993 122.5770 58.4100 41.8732 179.6059 12 V 3.4711 7.7371 112.2862 64.0119 31.3738 178.2087 13 E 3.9070 7.9443 118.8698 59.1929 29.5156 178.7747 14 A 3.9627 8.1224 120.8464 55.1325 18.4552 179.4039 15 L 3.6471 8.0466 117.9212 57.9833 41.4272 179.0443 16 Y 4.2082 7.8434 119.3707 60.9469 38.5163 178.4203 17 L 3.8420 7.7543 118.3375 57.6197 41.7622 179.4441 18 V 3.6791 7.5738 117.3580 66.2414 31.9275 177.6940 19 C 4.2835 8.6420 116.9219 60.9375 28.4772 174.8712 20 G 3.5947 8.1580 110.0549 46.4424 0.0000 176.0078 21 E 4.1730 8.7531 120.5079 58.0485 29.9951 178.5425 22 R 3.8727 7.7847 118.8444 57.3887 30.3287 178.0813 23 G 3.9462 8.5024 105.9674 45.6011 0.0000 172.1148 24 F 4.8356 7.6239 110.2934 56.2180 39.9283 172.9845 25 F 4.5805 9.0094 120.9282 56.1553 40.2771 174.7879 26 Y 4.8882 8.7997 125.6823 56.0685 40.4694 174.6657 27 T 4.4308 7.9284 123.4376 61.0436 70.9587 172.6069 28 P 4.0486 0.0000 0.0000 65.1761 31.8681 177.2786 *29 K 4.1955 7.7791 123.6267 54.6351 31.7386 181.4432 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 F 8.32 4.75 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 2 V 5.97 4.00 1.89 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 0.65 0.00 0.00 0.46 0.00 0.00 3 N 8.47 4.27 0.00 3.09 3.36 0.00 0.00 6.12 7.44 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 4 Q 8.01 4.04 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 5 H 8.11 4.14 0.00 3.20 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.89 3.95 0.00 1.86 1.73 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.74 4.24 0.00 3.00 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 8 G 8.42 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.72 3.95 0.00 3.72 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 10 H 7.91 4.17 0.00 3.38 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.20 3.91 0.00 1.99 1.70 1.10 1.26 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 12 V 7.74 3.47 2.06 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 -0.02 0.00 0.00 0.86 0.00 0.00 13 E 7.94 3.91 0.00 1.98 2.06 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 2.30 2.40 0.00 14 A 8.12 3.96 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 L 8.05 3.65 0.00 0.98 0.42 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.84 4.21 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 3.84 0.00 1.79 1.69 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.57 3.68 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 0.80 0.00 0.00 0.93 0.00 0.00 19 C 8.64 4.28 0.00 3.15 3.24 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 0.00 20 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.17 0.00 2.08 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 0.00 2.25 2.32 0.00 22 R 7.78 3.87 0.00 2.06 2.08 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 23 G 8.50 3.95 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 0.00 0.00 0.00 24 F 7.62 4.84 0.00 3.25 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 25 F 9.01 4.58 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.80 4.89 0.00 3.28 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 27 T 7.93 4.43 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 28 P 0.00 4.05 0.00 2.01 2.13 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 *29 K 7.78 4.20 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.