NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5780 8.2893 120.3495 55.5252 33.3880 175.6321 2 N 4.6429 8.6779 124.7270 50.3638 40.7795 174.3630 3 K 3.8627 8.5380 120.1277 59.5152 32.5225 179.4473 4 K 3.8694 8.0335 119.3754 59.7983 32.0367 178.4341 5 E 3.9480 8.6446 118.7401 59.0409 29.2882 179.1073 6 L 3.9161 8.1692 120.6696 58.1914 42.1529 179.0110 7 I 3.6755 8.0168 120.0272 64.5563 37.0965 178.1029 8 D 4.3566 8.2805 119.7183 57.5669 40.6867 179.2306 9 R 3.9395 8.2458 118.7317 59.1780 30.0023 179.3572 10 V 3.5658 8.0199 117.9386 65.8256 31.5590 177.8530 11 A 3.9784 8.3550 121.0111 55.0052 17.6869 179.5356 12 K 3.8724 8.0947 117.9714 59.7234 32.1168 179.2871 13 K 4.0027 7.8998 117.1775 59.1527 32.1009 178.6511 14 A 4.3082 8.4030 119.2204 51.6522 18.9871 177.2490 15 G 3.7677 7.6495 104.1245 46.7466 0.0000 173.5796 16 A 4.8133 7.6955 120.6024 49.3247 22.0312 178.0546 17 K 4.2009 8.2444 119.2802 55.9611 34.1123 178.6788 18 K 3.9283 8.7169 122.8886 59.6501 32.0551 179.6861 19 K 4.0792 8.0131 118.4266 60.1255 32.3994 178.8267 20 D 4.3575 7.8908 119.5825 56.8906 40.9044 178.6796 21 V 3.5436 7.8415 118.8659 65.7781 31.4676 177.8736 22 K 3.8559 8.4472 119.8168 59.4022 31.9330 178.3596 23 L 3.9121 7.8833 120.3902 58.3469 41.9722 179.1246 24 I 3.6836 7.8674 119.7147 64.0986 36.9607 178.1155 25 L 3.8909 8.3287 121.5551 58.4480 41.9120 178.7934 26 D 4.3194 8.3361 118.9738 57.7355 40.6370 179.0625 27 T 3.8892 8.1720 116.4354 66.4044 68.3979 176.9376 28 I 3.6497 8.0375 122.1493 64.3972 37.0975 178.4648 29 L 3.8689 8.0798 119.9952 57.7102 41.3778 179.2092 30 E 3.8782 8.3191 119.3253 59.6014 29.5456 179.0453 31 T 3.8745 8.0878 115.8924 66.6001 68.3984 176.8501 32 I 3.6565 7.8391 121.7627 64.5480 37.0203 178.5723 33 T 3.7967 7.9647 116.6603 66.7108 68.3829 176.4941 34 E 3.9194 8.5312 120.5541 59.4026 29.4117 179.3263 35 A 4.0289 8.1518 120.7821 55.1376 18.3433 179.6968 36 L 3.9445 8.2720 117.5423 57.9386 41.4977 179.6142 37 A 4.0280 8.1373 119.8032 54.5415 18.3186 178.7800 38 K 4.3734 7.6258 114.3512 55.9494 32.3395 177.6582 39 G 3.8974 8.0828 107.5530 45.8799 0.0000 173.8667 40 E 4.4027 8.2440 119.2250 55.5918 30.6906 175.7679 41 K 4.7600 8.4755 122.0356 55.1283 34.4369 175.7309 42 I 4.5042 9.0534 127.5779 59.8345 39.7271 174.0748 43 Q 4.9667 8.8036 128.8817 54.3356 30.9024 174.6741 44 I 4.5948 8.9891 128.7659 59.0886 39.3724 175.7455 45 V 3.7412 8.5277 127.0382 63.5416 31.2439 176.8911 46 G 3.9965 9.2478 111.4444 45.4166 0.0000 172.5260 47 F 4.7888 8.3790 119.8949 56.8037 41.5036 176.7844 48 G 3.6303 7.0979 102.9045 46.3298 0.0000 169.9287 49 S 5.3597 7.5446 113.7477 56.4638 66.3687 173.0521 50 F 5.4791 9.4858 121.4549 56.1355 41.1939 174.4303 51 E 4.9964 9.3577 122.9805 55.2217 33.6483 173.4517 52 V 4.8244 8.3265 123.3097 61.6873 33.2210 175.0091 53 R 4.8613 9.1725 127.9440 54.4737 34.7677 175.5522 54 K 4.2256 8.6310 124.8632 55.4117 32.4833 178.4428 *74 R 4.4963 8.5955 122.1766 55.2052 31.5233 173.8239 75 K 4.5972 7.8295 117.0774 56.1066 33.0083 176.7861 76 V 4.6562 8.8660 115.4243 59.0449 36.2668 173.1539 77 P 4.9954 0.0000 0.0000 62.5695 32.2317 175.6895 78 K 4.7897 9.4784 123.6937 54.7711 36.2963 174.4446 79 F 5.1158 8.8681 127.1279 56.2738 41.9630 174.1339 80 K 4.2030 8.1902 126.3080 53.4574 33.8534 173.9798 81 P 3.7338 0.0000 0.0000 62.3656 32.1884 176.7225 82 G 3.7657 8.7657 113.1624 46.1830 0.0000 175.5079 83 K 4.0023 8.7536 123.4308 59.7266 31.6660 176.5528 84 A 4.1673 8.0028 121.8839 55.0570 18.1377 179.3640 85 L 3.9247 7.8330 118.0859 58.2979 42.0335 179.1087 86 K 3.9416 7.9851 117.3897 59.3345 31.9982 178.6424 87 E 4.1961 8.0637 118.7195 58.6656 29.3743 178.8250 88 K 4.0286 8.0258 118.9612 58.4245 32.3117 178.2382 89 V 4.3893 7.1827 112.4395 61.3470 32.1846 176.5179 *90 K 4.1142 7.6206 126.1989 55.1854 32.9812 179.9415 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 8.29 4.58 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.68 4.64 0.00 3.02 2.95 0.00 0.00 6.22 6.75 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 3 K 8.54 3.86 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.48 7.81 4 K 8.03 3.87 0.00 1.95 1.92 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 5 E 8.64 3.95 0.00 2.20 1.98 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 2.33 2.43 0.00 6 L 8.17 3.92 0.00 1.81 1.86 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.02 3.68 2.01 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 1.50 0.57 0.90 0.00 0.00 8 D 8.28 4.36 0.00 2.81 2.71 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 9 R 8.25 3.94 0.00 1.84 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 10 V 8.02 3.57 2.25 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 1.05 0.00 0.00 0.93 0.00 0.00 11 A 8.35 3.98 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 0.00 0.00 12 K 8.09 3.87 0.00 1.85 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 13 K 7.90 4.00 0.00 1.78 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 14 A 8.40 4.31 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 G 7.65 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 0.00 0.00 0.00 16 A 7.70 4.81 1.21 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 17 K 8.24 4.20 0.00 1.93 1.73 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 18 K 8.72 3.93 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.51 7.81 19 K 8.01 4.08 0.00 1.97 2.06 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.53 7.81 20 D 7.89 4.36 0.00 2.84 2.74 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 21 V 7.84 3.54 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 0.95 0.00 0.00 0.96 0.00 0.00 22 K 8.45 3.86 0.00 1.80 1.94 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 23 L 7.88 3.91 0.00 1.87 1.81 0.91 1.03 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 24 I 7.87 3.68 1.93 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 1.39 0.61 0.89 0.00 0.00 25 L 8.33 3.89 0.00 1.70 1.73 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.34 4.32 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.89 4.34 0.00 0.00 0.00 0.00 0.00 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 28 I 8.04 3.65 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.84 0.00 0.00 29 L 8.08 3.87 0.00 1.76 1.64 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.32 3.88 0.00 2.19 2.05 0.00 0.00 0.00 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 2.22 0.00 31 T 8.09 3.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 32 I 7.84 3.66 1.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.46 0.00 0.00 33 T 7.96 3.80 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 1.18 0.00 0.00 34 E 8.53 3.92 0.00 2.10 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 2.32 2.49 0.00 35 A 8.15 4.03 1.40 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 0.00 0.00 0.00 36 L 8.27 3.94 0.00 1.87 1.76 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.14 4.03 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 0.00 0.00 0.00 0.00 0.00 38 K 7.63 4.37 0.00 1.92 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.62 7.81 39 G 8.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.40 0.00 2.02 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 2.35 2.27 0.00 41 K 8.48 4.76 0.00 1.79 1.71 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.49 7.81 42 I 9.05 4.50 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 1.05 0.00 0.00 43 Q 8.80 4.97 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 44 I 8.99 4.59 2.16 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 1.00 0.00 0.00 45 V 8.53 3.74 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 0.73 0.00 0.00 0.96 0.00 0.00 46 G 9.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.79 0.00 3.10 3.10 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 0.00 0.00 0.00 48 G 7.10 3.63 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 0.00 0.00 0.00 49 S 7.54 5.36 0.00 3.82 3.85 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 50 F 9.49 5.48 0.00 3.11 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 51 E 9.36 5.00 0.00 2.04 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 2.24 2.30 0.00 52 V 8.33 4.82 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 0.93 0.00 0.00 1.01 0.00 0.00 53 R 9.17 4.86 0.00 1.69 1.76 0.00 3.34 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 54 K 8.63 4.23 0.00 1.77 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *74 R 8.60 4.50 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 75 K 7.83 4.60 0.00 1.75 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 V 8.87 4.66 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 0.78 0.00 0.00 0.96 0.00 0.00 77 P 0.00 5.00 0.00 2.03 2.05 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 78 K 9.48 4.79 0.00 1.77 1.75 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 79 F 8.87 5.12 0.00 2.84 2.81 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 0.00 0.00 0.00 80 K 8.19 4.20 0.00 1.42 1.43 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.22 7.81 81 P 0.00 3.73 0.00 1.90 1.94 0.00 3.46 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 82 G 8.77 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 0.00 0.00 0.00 83 K 8.75 4.00 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 84 A 8.00 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.83 3.92 0.00 1.73 1.73 0.94 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.99 3.94 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.49 7.81 87 E 8.06 4.20 0.00 2.28 1.98 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 2.31 2.18 0.00 88 K 8.03 4.03 0.00 1.85 2.00 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 89 V 7.18 4.39 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 0.86 0.00 0.00 0.98 0.00 0.00 *90 K 7.62 4.11 0.00 1.70 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.