NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4627 8.1633 118.3240 55.3547 33.5603 173.4510 2 Q 5.2276 8.4423 117.6727 51.7314 31.1687 173.4490 3 I 4.5573 8.6016 116.6400 58.9045 42.1038 173.5497 4 F 5.3380 8.9562 121.8237 55.7697 42.3170 174.7883 5 V 4.6826 8.7766 123.2871 61.1611 33.3825 174.4245 6 K 4.8342 8.7585 128.9539 56.0619 33.4072 177.3000 7 T 4.8806 8.3752 115.3222 60.3362 70.6876 174.8608 8 L 4.3225 8.6071 120.2927 56.1269 41.9144 177.7934 9 T 4.5170 7.7775 109.0957 61.2880 68.9270 174.6101 10 G 3.8675 8.9648 107.6041 46.6077 0.0000 173.6074 11 K 4.6388 7.8672 119.2842 54.4854 35.8877 174.6825 12 T 5.0362 8.5877 123.1579 61.9122 70.8988 173.4317 13 I 4.3066 8.9587 128.5844 60.5457 38.7939 175.0156 14 T 4.8463 8.6006 124.1802 62.5394 69.8536 174.1965 15 L 4.7572 8.5706 125.9429 52.8004 45.2132 175.0293 16 E 4.8066 8.6040 123.3643 55.3269 30.4174 175.3929 17 V 4.7375 8.5846 119.3199 60.1574 36.6993 174.0286 18 E 4.7384 8.7404 119.7710 53.8988 32.5960 175.8176 19 P 4.4394 0.0000 0.0000 65.6143 31.5606 178.3891 20 S 4.2832 7.9019 110.5329 59.4742 63.8267 174.3015 21 D 4.4149 8.3160 123.3818 54.6718 41.2678 176.3627 22 T 4.5806 8.2707 113.7286 61.4450 71.1147 175.6371 23 I 3.6938 8.5378 123.7825 64.7421 37.1458 178.3895 24 E 3.9691 8.0253 120.1741 59.2338 29.3781 178.8109 25 N 4.3055 7.9696 116.1654 56.2978 38.7281 177.5002 26 V 3.5667 7.8416 119.5795 66.0437 31.5693 178.1073 27 K 4.1668 8.4243 119.2213 58.7924 31.8043 178.9233 28 A 3.9867 8.1038 120.9829 55.2364 18.3335 179.7716 29 K 3.8661 8.1554 116.7197 59.8043 32.0820 179.5150 30 I 3.7120 7.8084 119.9313 64.4603 36.9388 178.1817 31 Q 4.1432 8.1266 121.7082 58.7020 28.6213 178.0775 32 D 4.3456 7.9906 119.0175 57.3040 40.9498 178.5701 33 K 4.2124 7.7549 116.9001 58.3848 32.2934 178.2678 34 E 4.6164 8.5051 116.4983 54.8236 30.2498 177.0382 35 G 4.3916 7.9747 106.4518 46.1480 0.0000 173.3496 36 I 4.1030 7.1494 121.2605 59.0207 37.7615 173.9275 37 P 4.4247 0.0000 0.0000 62.0258 31.8689 175.5164 38 P 4.1759 0.0000 0.0000 65.9053 31.3934 177.1220 39 D 4.7644 8.0382 114.2364 53.9953 39.7124 176.2106 40 Q 4.6619 8.7449 118.6292 55.8636 30.0640 174.4588 41 Q 5.0432 8.0052 119.4814 54.0919 32.0724 174.6427 42 R 4.8519 9.1765 123.0071 54.3525 33.1678 174.8199 43 L 5.2676 8.5046 122.9499 53.1049 45.2490 175.4075 44 I 5.1451 8.3957 121.6048 59.7431 41.4986 174.2967 45 F 5.0855 8.9773 127.3098 57.1427 43.1510 174.0814 46 A 3.3812 8.8714 128.0059 53.3194 15.7368 177.8784 47 G 3.9281 8.7213 105.2346 46.4738 0.0000 173.9152 48 K 4.6473 7.6973 117.8933 54.1891 36.1120 175.5302 49 Q 4.6991 8.5339 121.6000 55.8381 29.3912 175.7132 50 L 4.0558 8.6253 124.8746 54.2630 42.8217 176.2822 51 E 4.4887 9.3850 123.4123 55.1660 30.8522 177.1050 52 D 4.3743 9.1370 123.6739 57.5570 41.0273 178.5705 53 G 3.9251 8.0328 104.2699 45.7394 0.0000 173.2482 54 R 4.4954 7.9162 120.1938 54.7702 32.3839 174.9817 55 T 5.1351 8.0361 107.7813 59.5291 71.6693 175.1206 56 L 4.0217 8.6825 123.1510 58.4225 41.6163 180.1363 57 S 4.0862 8.3916 114.0655 61.8065 62.3698 176.2488 58 D 4.2634 7.8565 121.3050 56.4004 39.1513 177.1777 59 Y 4.6613 7.9961 115.7223 56.4524 38.2757 175.1809 60 N 4.2081 8.1682 117.3083 54.4711 38.0208 174.3410 61 I 3.5720 7.1597 116.5502 60.5680 37.0111 175.5426 62 Q 4.6703 8.0818 126.2294 53.2355 31.4500 174.9084 63 K 3.9430 8.3645 117.4712 59.1410 32.5677 176.5227 64 E 3.8890 9.4416 121.2011 57.0165 27.7845 174.7889 65 S 4.5728 7.6951 115.1371 58.9176 64.2439 173.2059 66 T 5.2878 8.7529 118.8567 62.0553 70.7800 173.7378 67 L 5.0969 9.3895 126.0825 53.5230 45.4980 174.8188 68 H 5.4478 8.9919 116.6349 54.0617 32.0143 173.0081 69 L 5.1512 8.8914 124.3906 53.3624 43.9315 175.6986 70 V 4.5506 8.8381 125.5608 60.8729 35.1619 173.8175 71 L 4.8696 8.4215 128.0767 54.5120 42.9491 176.1121 72 R 4.3547 8.6963 126.1584 55.7225 30.9955 176.0180 73 L 4.5491 8.4471 124.8200 53.4189 44.9215 177.3907 *74 R 4.1415 8.3235 116.6577 56.7350 30.0397 173.3911 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 8.16 4.46 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 2 Q 8.44 5.23 0.00 1.81 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 3 I 8.60 4.56 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.76 0.00 0.00 4 F 8.96 5.34 0.00 2.93 2.97 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 5 V 8.78 4.68 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 0.92 0.00 0.00 0.92 0.00 0.00 6 K 8.76 4.83 0.00 1.45 1.61 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.33 7.81 7 T 8.38 4.88 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 8 L 8.61 4.32 0.00 1.67 1.77 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 4.52 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 1.22 0.00 0.00 10 G 8.96 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 11 K 7.87 4.64 0.00 1.79 1.60 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 12 T 8.59 5.04 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 1.28 0.00 0.00 13 I 8.96 4.31 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.92 0.00 0.00 14 T 8.60 4.85 4.32 0.00 0.00 0.00 0.00 0.00 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 15 L 8.57 4.76 0.00 1.47 1.47 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.60 4.81 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 17 V 8.58 4.74 2.02 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 0.70 0.00 0.00 0.89 0.00 0.00 18 E 8.74 4.74 0.00 1.96 1.77 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 2.25 2.22 0.00 19 P 0.00 4.44 0.00 2.15 2.10 0.00 3.56 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 2.10 2.07 0.00 20 S 7.90 4.28 0.00 3.96 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 21 D 8.32 4.41 0.00 2.87 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.58 4.43 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 1.21 0.00 0.00 23 I 8.54 3.69 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.38 0.92 0.00 0.00 24 E 8.03 3.97 0.00 2.19 1.95 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 2.31 2.36 0.00 25 N 7.97 4.31 0.00 3.07 2.83 0.00 0.00 6.61 7.01 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 26 V 7.84 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 27 K 8.42 4.17 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.44 7.81 28 A 8.10 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.16 3.87 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.63 7.81 30 I 7.81 3.71 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.94 0.00 0.00 31 Q 8.13 4.14 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 7.99 4.35 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.21 0.00 1.75 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 34 E 8.51 4.62 0.00 2.16 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 2.23 2.43 0.00 35 G 7.97 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.15 4.10 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.39 2.18 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 38 P 0.00 4.18 0.00 2.19 2.18 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 39 D 8.04 4.76 0.00 2.77 2.77 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 40 Q 8.74 4.66 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 41 Q 8.01 5.04 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 42 R 9.18 4.85 0.00 1.69 1.80 0.00 3.08 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.50 5.27 0.00 1.54 1.51 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.40 5.15 1.91 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 1.10 1.05 0.89 0.00 0.00 45 F 8.98 5.09 0.00 2.97 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.87 3.38 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.72 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 0.00 0.00 0.00 48 K 7.70 4.65 0.00 1.89 1.64 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.42 7.81 49 Q 8.53 4.70 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.63 4.06 0.00 1.39 1.39 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.38 4.49 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 52 D 9.14 4.37 0.00 2.80 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 53 G 8.03 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 0.00 0.00 0.00 54 R 7.92 4.50 0.00 1.98 1.90 0.00 3.23 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 55 T 8.04 5.14 4.44 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 1.27 0.00 0.00 56 L 8.68 4.02 0.00 1.86 1.73 0.93 0.72 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 57 S 8.39 4.09 0.00 4.00 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 0.00 58 D 7.86 4.26 0.00 2.50 2.30 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 59 Y 8.00 4.66 0.00 3.10 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 60 N 8.17 4.21 0.00 2.91 3.05 0.00 0.00 7.15 7.50 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 61 I 7.16 3.57 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.26 0.58 0.00 0.00 62 Q 8.08 4.67 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 63 K 8.36 3.94 0.00 1.83 1.81 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 64 E 9.44 3.89 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 65 S 7.70 4.57 0.00 3.72 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 5.29 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 67 L 9.39 5.10 0.00 1.60 1.67 0.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.99 5.45 0.00 3.14 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.89 5.15 0.00 1.58 1.54 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.84 4.55 2.09 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.42 4.87 0.00 1.68 1.55 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.70 4.35 0.00 1.61 1.84 0.00 3.34 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 73 L 8.45 4.55 0.00 1.60 1.58 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *74 R 8.32 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.