NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2894 8.1593 117.3729 63.0647 70.9219 174.0207 5 P 4.3816 0.0000 0.0000 62.0195 32.5417 173.8770 6 D 5.0752 8.6355 119.6296 53.7960 43.1007 176.6063 7 E 4.7369 9.6413 124.4464 54.3434 32.4519 174.7251 8 S 5.3489 8.3800 120.9567 57.2626 65.7794 172.9320 9 F 5.2930 9.5094 120.0330 55.7567 43.7700 173.2884 10 L 5.3605 9.1401 123.3686 53.6047 44.9988 174.3831 11 C 5.6229 9.7399 123.6006 55.4175 41.8635 171.9972 12 Y 5.1959 8.9992 124.3840 56.1911 40.3367 174.4429 13 Q 4.3784 8.3698 124.5947 53.0196 32.5351 174.8017 14 P 4.1526 0.0000 0.0000 64.1115 31.6613 176.8972 15 D 5.0168 7.6697 114.8206 52.6968 40.6837 174.8112 16 Q 4.7782 7.7986 116.7924 55.7013 32.5400 172.8640 17 V 4.9393 8.0882 120.4826 61.4536 34.0334 173.6737 18 C 5.7737 9.2213 124.6676 55.2176 44.9603 172.5984 19 A 5.3630 9.3719 125.2069 50.5207 20.9948 175.7711 20 F 5.2117 9.3691 120.5467 55.6565 42.6921 174.3569 21 I 5.0589 8.7553 124.2867 59.9771 39.3912 174.0000 22 C 5.9334 9.9090 124.9775 55.2540 43.7941 173.4358 23 R 4.7764 9.4729 121.1876 55.0107 32.4550 176.4530 24 G 3.7362 9.5076 111.2053 45.8506 0.0000 171.8206 25 A 4.6389 7.6573 120.3554 50.7879 22.3442 175.3176 26 A 4.2129 7.8937 120.5249 49.4126 22.2637 174.4390 27 P 3.9714 0.0000 0.0000 62.3211 31.9715 176.9933 28 L 4.1958 8.3223 121.4689 53.6956 42.3399 176.6006 29 P 4.2441 0.0000 0.0000 65.7270 31.3170 178.5535 30 S 4.3418 7.9760 110.2765 59.7155 63.1182 174.2344 31 E 4.3829 7.7809 120.2066 55.8650 29.7750 174.3514 32 G 3.6743 7.2475 104.6809 43.8742 0.0000 173.9519 33 E 4.3185 8.9124 119.5448 56.3504 29.3314 174.8466 34 C 5.4757 8.5406 121.4203 55.1968 43.0355 173.1986 35 N 5.3823 9.0190 119.3457 50.7302 43.1759 172.1946 36 P 4.2268 0.0000 0.0000 63.7143 31.8954 175.1896 37 H 4.5272 8.4893 120.5685 54.6454 33.2647 171.8800 38 P 4.2442 0.0000 0.0000 62.7130 31.8220 176.4181 39 T 3.7350 8.2461 116.9819 63.4423 68.9310 174.4520 40 A 3.7811 8.0568 129.1541 51.1951 18.7717 176.5775 41 P 4.0785 0.0000 0.0000 65.2660 31.4494 177.8980 42 W 4.3752 7.2367 112.9204 56.8143 28.5499 176.3602 43 A 4.4635 7.4207 122.3843 53.8406 19.2573 178.9540 44 R 4.1521 6.8757 116.1275 56.0463 27.5951 176.3624 *48 V 3.8952 7.6362 113.3101 60.6091 33.9083 175.7754 49 E 4.2796 7.8231 117.3067 54.4781 28.8943 176.0130 50 W 4.1994 8.6735 124.9616 57.0896 29.7588 175.6941 51 V 4.4091 8.1383 114.9502 62.6468 33.8686 174.8401 52 P 4.9878 0.0000 0.0000 62.5288 29.8180 177.7953 *55 T 4.3611 8.6668 107.2252 60.5070 70.8487 173.6759 56 G 4.2105 7.4399 111.5096 46.4191 0.0000 173.8533 57 Q 4.9858 9.1446 122.0912 54.9645 32.7456 173.2415 58 C 5.8623 9.1433 118.7124 55.3236 43.9177 173.1557 59 R 4.5392 8.2668 120.1646 55.2587 31.4620 175.1766 60 T 5.2412 7.6188 113.6920 61.1864 70.5093 172.5553 61 T 4.7304 8.2990 121.0092 60.6192 71.1988 172.9301 62 C 5.7352 8.8229 123.6646 55.0357 45.5178 173.1695 63 I 4.4492 7.8055 113.9712 58.1746 40.1119 173.3538 64 P 4.8072 0.0000 0.0000 63.0572 32.3627 175.0651 65 Y 4.7113 8.2015 118.7660 56.9284 40.0739 176.5185 66 V 4.0568 8.1676 112.8510 61.8164 32.7136 175.8854 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 4 T 8.16 4.29 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 1.19 0.00 0.00 5 P 0.00 4.38 0.00 2.27 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 6 D 8.64 5.08 0.00 2.69 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 7 E 9.64 4.74 0.00 1.99 1.83 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 2.07 2.22 0.00 8 S 8.38 5.35 0.00 3.92 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 9 F 9.51 5.29 0.00 2.95 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 10 L 9.14 5.36 0.00 1.75 1.48 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 C 9.74 5.62 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.00 5.20 0.00 3.16 2.96 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 13 Q 8.37 4.38 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.48 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 14 P 0.00 4.15 0.00 1.98 2.11 0.00 3.53 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 15 D 7.67 5.02 0.00 2.80 2.86 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 0.00 0.00 0.00 16 Q 7.80 4.78 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 17 V 8.09 4.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.80 0.00 0.00 18 C 9.22 5.77 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.37 5.36 0.98 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 0.00 0.00 20 F 9.37 5.21 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.76 5.06 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 1.07 0.00 0.00 22 C 9.91 5.93 0.00 3.21 3.22 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 0.00 23 R 9.47 4.78 0.00 1.54 1.74 0.00 2.81 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 24 G 9.51 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 4.64 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.21 0.93 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 27 P 0.00 3.97 0.00 1.37 0.53 0.00 2.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.00 28 L 8.32 4.20 0.00 1.67 1.53 0.92 1.03 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 29 P 0.00 4.24 0.00 2.15 2.09 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 30 S 7.98 4.34 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.78 4.38 0.00 1.83 2.11 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 2.30 2.32 0.00 32 G 7.25 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 33 E 8.91 4.32 0.00 2.15 2.04 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 2.47 2.60 0.00 34 C 8.54 5.48 0.00 2.68 2.86 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 0.00 0.00 0.00 35 N 9.02 5.38 0.00 2.69 2.70 0.00 0.00 6.71 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.23 0.00 1.83 1.83 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 37 H 8.49 4.53 0.00 3.13 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.24 0.00 1.91 1.89 0.00 3.03 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 39 T 8.25 3.74 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 40 A 8.06 3.78 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.08 0.00 2.23 2.27 0.00 3.31 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 42 W 7.24 4.38 0.00 3.50 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 43 A 7.42 4.46 0.95 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 44 R 6.88 4.15 0.00 1.85 1.88 0.00 3.14 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 *48 V 7.64 3.90 2.07 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 0.69 0.00 0.00 0.90 0.00 0.00 49 E 7.82 4.28 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 50 W 8.67 4.20 0.00 3.31 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 51 V 8.14 4.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.02 0.00 0.00 52 P 0.00 4.99 0.00 2.23 1.34 0.00 3.98 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 *55 T 8.67 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 G 7.44 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 57 Q 9.14 4.99 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 58 C 9.14 5.86 0.00 3.08 3.28 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 59 R 8.27 4.54 0.00 1.30 0.91 0.00 2.28 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 60 T 7.62 5.24 2.86 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 0.00 0.00 0.81 0.00 0.00 61 T 8.30 4.73 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 1.24 0.00 0.00 62 C 8.82 5.74 0.00 2.75 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 63 I 7.81 4.45 1.26 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.31 -0.37 0.00 0.00 64 P 0.00 4.81 0.00 2.03 2.00 0.00 3.50 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 65 Y 8.20 4.71 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.17 4.06 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 0.71 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.