NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 A 4.3197 8.2531 123.5814 52.5792 20.0117 174.4370 -7 G 4.2318 7.1415 112.7644 44.3353 0.0000 168.0934 -6 K 4.6127 8.0581 118.4213 52.8780 40.3500 176.9211 -5 P 3.8268 0.0000 0.0000 63.9089 31.0487 175.5473 -4 Q 4.4117 8.6880 111.3499 54.4343 27.2618 173.5746 -3 P 4.2351 0.0000 0.0000 60.8604 33.2989 176.5889 -2 L 4.9874 8.2332 115.8911 53.6212 43.8027 175.7997 -1 N 4.4494 7.7744 113.0358 51.7583 39.4345 172.0367 -7 P 4.6918 0.0000 0.0000 62.5353 34.2374 170.4934 -6 K 4.6127 8.0581 118.4213 52.8780 40.3500 176.9211 -5 I 3.5768 7.4314 118.9528 61.7089 37.7486 174.6473 -4 I 4.2417 8.3680 111.4499 59.8343 36.6618 173.9746 -3 I 3.9851 7.3216 122.2304 58.6604 39.9989 175.6889 -2 F 5.2674 8.3732 114.3911 56.2212 41.0027 173.9997 -1 E 4.0594 7.7944 114.5358 55.2583 30.4345 173.4367 8 Q 4.4946 7.5884 115.9395 53.8248 30.7008 174.8405 9 E 3.9538 8.2914 118.7152 56.3268 30.1018 176.1533 10 N 3.4515 9.1227 114.6459 54.7298 37.2944 173.7310 11 F 4.2566 7.4145 109.7868 58.1583 35.9212 174.7739 12 Q 4.8553 8.0926 117.7910 54.8586 33.0736 174.8393 13 G 4.1471 8.7566 104.1517 44.6702 0.0000 174.2380 14 H 4.6264 8.7685 126.0761 56.1229 29.9120 175.3102 15 S 5.7763 8.3484 120.4215 57.1640 65.6170 173.3990 16 H 4.6305 8.3105 120.7240 54.8775 32.1312 172.6853 17 E 4.6389 8.6744 127.1030 56.3757 30.3873 175.3047 18 L 4.9794 8.2700 123.2571 53.4033 45.5207 176.6591 19 N 5.3591 8.3883 112.7278 53.5879 42.2993 174.3027 20 G 3.9429 7.9942 105.6510 44.4351 0.0000 170.6886 21 P 4.0502 0.0000 0.0000 61.5415 33.2732 175.3412 22 C 5.2497 8.4791 113.9201 59.6835 32.8806 172.8214 23 P 4.0815 0.0000 0.0000 65.1073 31.7071 176.2130 24 N 4.8319 7.8060 115.2872 50.8828 40.4369 174.4071 25 L 4.6366 8.3262 128.3068 56.8848 41.5635 179.3896 26 K 4.1191 8.1428 117.5573 58.6386 32.1849 177.6841 27 E 4.3189 8.2796 117.3754 56.9954 29.8176 177.1583 28 T 4.1894 7.8807 115.5050 65.2917 68.9517 174.9721 *328 G 4.0240 7.8829 112.8118 45.7589 0.0000 172.3596 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 -8 A 8.25 4.32 1.28 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 0.00 0.00 0.00 -7 G 7.14 4.23 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 0.00 0.00 0.00 -6 K 8.06 4.61 0.00 1.70 1.66 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 -5 P 0.00 3.83 0.00 2.36 2.14 0.00 3.68 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 1.97 1.92 0.00 -4 Q 8.69 4.41 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 -3 P 0.00 4.24 0.00 2.22 1.95 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 -2 L 8.23 4.99 0.00 1.54 1.58 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 7.77 4.45 0.00 2.77 2.73 0.00 0.00 6.18 7.75 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 -7 P 0.00 4.69 0.00 2.11 1.76 0.00 2.20 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 1.95 2.01 0.00 -6 K 8.06 4.61 0.00 1.70 1.66 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 -5 I 7.43 3.58 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 1.30 0.98 0.91 0.00 0.00 -4 I 8.37 4.24 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 1.41 1.09 0.91 0.00 0.00 -3 I 7.32 3.99 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 1.41 0.27 0.91 0.00 0.00 -2 F 8.37 5.27 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.06 0.00 2.00 1.94 0.00 0.00 0.00 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 2.26 0.00 8 Q 7.59 4.49 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 9 E 8.29 3.95 0.00 1.94 1.76 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 2.32 2.25 0.00 10 N 9.12 3.45 0.00 2.64 2.74 0.00 0.00 7.07 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.41 4.26 0.00 3.37 3.31 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 12 Q 8.09 4.86 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.11 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 13 G 8.76 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.77 4.63 0.00 3.16 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.35 5.78 0.00 2.72 2.83 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 16 H 8.31 4.63 0.00 3.01 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.67 4.64 0.00 1.95 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 2.37 2.31 0.00 18 L 8.27 4.98 0.00 1.53 1.55 1.04 1.10 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 19 N 8.39 5.36 0.00 2.63 2.76 0.00 0.00 6.72 7.65 0.00 0.00 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 7.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 2.06 2.05 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 22 C 8.48 5.25 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 2.08 2.12 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 24 N 7.81 4.83 0.00 2.58 2.68 0.00 0.00 7.26 8.95 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 25 L 8.33 4.64 0.00 1.74 1.72 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.14 4.12 0.00 1.94 1.87 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.56 7.81 27 E 8.28 4.32 0.00 1.95 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 0.00 2.29 2.34 0.00 28 T 7.88 4.19 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 *328 G 7.88 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.