NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 3.9147 8.0549 120.3896 62.4498 33.6385 175.0955 11 L 4.3024 7.6131 120.4482 52.3633 42.0078 174.6131 12 T 5.1306 8.5138 113.3037 59.7513 72.6722 172.7905 13 V 4.4945 8.4107 121.4729 60.5812 34.7320 174.6083 14 S 4.0907 8.6812 121.5698 58.5500 62.6845 174.3028 *24 Q 4.3323 8.3373 126.2037 55.7629 29.3667 174.3225 25 K 4.6721 7.2377 118.8347 53.6677 36.3078 174.8821 26 P 4.7677 0.0000 0.0000 62.3138 32.0851 177.6248 27 L 3.9527 8.9942 122.6521 58.1565 41.8060 179.4133 28 R 3.9405 8.0731 115.7799 59.5610 29.0266 178.4166 29 D 4.3078 7.8682 119.5804 57.2312 40.7338 178.8971 30 S 4.1025 8.0119 115.7983 61.4904 62.8735 176.7585 31 V 3.5458 7.7045 120.4734 65.9042 31.2729 177.7922 32 K 3.8674 8.2411 119.5204 59.5013 31.9355 178.6290 33 Q 3.9086 8.2045 119.6657 59.0539 28.9955 177.7830 34 A 4.0087 8.4271 122.2943 55.3135 18.4086 179.5826 35 L 4.2185 8.0692 117.2124 57.1924 41.5207 179.6586 36 K 3.8609 7.8550 120.0184 59.7005 32.0180 178.6814 37 N 4.4159 8.2716 115.6406 56.3393 38.4880 176.6494 38 Y 4.2571 7.9824 120.0995 60.9486 39.1654 177.7625 39 F 4.0168 9.0398 117.6458 59.9545 39.8013 176.5532 40 A 4.4923 7.5971 121.2912 49.3960 17.0777 176.7894 41 Q 4.3587 7.8469 125.4555 56.5769 33.1346 177.8682 *46 D 4.2960 9.0728 120.8509 54.0167 40.8827 175.3371 47 V 4.5662 7.8727 112.5991 60.0469 33.9445 175.5614 48 N 5.1301 8.4571 115.2212 53.1116 40.9549 174.3437 49 D 4.8954 7.8201 119.2602 51.1006 40.0231 176.9748 50 L 3.9092 8.5005 123.1383 60.5562 42.0429 175.9420 51 Y 3.9159 8.3415 118.2355 60.3188 38.4063 177.1883 52 E 3.9322 8.4542 118.8766 59.5263 29.6890 179.0575 53 L 3.8695 7.6739 118.9615 58.3093 42.4087 179.0406 54 V 3.5733 7.7324 117.8583 65.7254 31.5121 177.3499 55 L 3.6639 7.8378 120.3539 58.4283 41.6055 179.0165 56 A 4.5465 8.1753 121.7774 54.4568 18.1321 178.5418 57 E 4.0660 7.8731 115.6314 57.6779 29.8734 177.7164 58 V 4.1531 7.2049 116.3832 64.4182 33.3814 177.0519 59 E 3.7957 8.4175 118.6952 59.3466 29.3115 178.4174 60 Q 3.5172 6.8151 119.5072 58.9042 28.9004 177.0885 61 P 4.1823 0.0000 0.0000 65.8095 31.1034 177.8137 62 L 3.8347 7.4769 120.1475 57.7532 42.0742 178.4735 63 L 3.8981 8.5415 119.5155 58.0955 41.7353 178.9257 64 D 4.3149 8.2763 117.7888 57.9601 41.0406 178.5431 65 M 4.0655 8.3178 119.1376 58.4054 31.8957 179.0421 66 V 3.6206 8.1297 118.7547 66.1686 31.7097 177.7281 67 M 4.0215 8.5589 118.4032 58.7498 32.0677 178.0282 68 Q 3.9528 8.2680 119.7615 59.1268 28.9966 177.3251 69 Y 4.1519 8.0622 120.2037 60.5743 39.1167 177.3473 70 T 4.3132 8.2719 108.9889 60.4177 69.4922 173.9775 71 Y 3.3566 8.8059 120.7445 59.0728 37.6357 171.8266 72 G 3.8676 8.6048 105.5791 46.0252 0.0000 175.0249 73 N 4.6162 8.3331 119.2915 52.7982 37.5888 174.7481 74 Q 4.0647 8.4782 126.4259 58.6804 28.9538 178.5111 75 T 3.8668 7.8529 116.4041 66.8031 68.6614 176.6277 76 R 3.9474 8.0173 119.1439 59.1328 30.1103 178.6102 77 A 3.9833 8.2230 120.3041 55.3593 18.3558 179.4084 78 A 3.9976 8.3952 119.1184 55.2620 18.2154 179.8627 79 L 3.9154 7.7285 116.3697 58.2176 41.8438 178.9518 80 M 4.1691 8.3278 116.9522 59.1815 32.2171 177.8993 81 M 4.2748 8.3565 118.1536 56.1548 32.1882 177.2623 82 G 3.9661 8.8759 106.8755 45.5844 0.0000 172.8641 83 I 4.6793 7.3305 110.7450 57.6428 41.0325 175.0911 84 N 4.6477 8.3498 119.1292 52.3783 39.4227 175.9146 85 R 3.9996 8.6140 120.9931 59.5714 29.9750 178.6678 86 G 3.6542 8.1516 104.8305 48.2409 0.0000 175.2920 87 T 3.8596 8.8505 119.2750 66.1915 68.4197 176.3362 88 L 4.0006 7.8443 121.5638 58.2783 42.1278 179.3133 89 R 3.9218 8.1934 118.2080 58.8990 29.9955 178.7457 90 K 3.8828 8.7857 119.9835 59.5444 32.2309 178.8988 91 K 4.0267 8.4769 118.7976 59.6698 32.0833 179.1794 92 L 4.0924 8.2142 119.4131 58.0692 41.5520 179.7202 93 K 4.0481 8.3209 119.3465 59.1133 31.8806 178.8194 94 K 3.8225 7.8340 119.4533 58.8192 32.1380 177.3922 95 Y 4.6632 7.9863 115.8959 57.1832 38.5939 176.1355 96 G 4.1882 7.6288 105.8526 46.8956 0.0000 174.9584 97 M 4.3272 8.6738 117.4483 55.2989 32.3772 176.4363 98 N 4.4863 8.1284 121.6624 53.2400 37.2334 174.6736 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 10 V 8.05 3.91 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 0.97 0.00 0.00 0.92 0.00 0.00 11 L 7.61 4.30 0.00 1.70 1.58 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.51 5.13 4.33 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 1.22 0.00 0.00 13 V 8.41 4.49 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 0.98 0.00 0.00 0.91 0.00 0.00 14 S 8.68 4.09 0.00 3.91 3.91 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 *24 Q 8.34 4.33 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 25 K 7.24 4.67 0.00 1.84 1.87 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 26 P 0.00 4.77 0.00 2.18 1.99 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 27 L 8.99 3.95 0.00 1.73 1.70 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.07 3.94 0.00 2.05 2.17 0.00 3.00 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 29 D 7.87 4.31 0.00 2.91 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 30 S 8.01 4.10 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.70 3.55 2.21 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 0.98 0.00 0.00 0.89 0.00 0.00 32 K 8.24 3.87 0.00 2.02 1.83 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 33 Q 8.20 3.91 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 34 A 8.43 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.22 0.00 1.73 1.44 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.85 3.86 0.00 2.07 1.92 0.00 1.49 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.53 7.81 37 N 8.27 4.42 0.00 2.80 2.93 0.00 0.00 7.08 8.05 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 38 Y 7.98 4.26 0.00 3.11 3.39 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 39 F 9.04 4.02 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.60 4.49 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 41 Q 7.85 4.36 0.00 1.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 *46 D 9.07 4.30 0.00 2.73 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 47 V 7.87 4.57 2.15 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 0.80 0.00 0.00 0.88 0.00 0.00 48 N 8.46 5.13 0.00 2.76 2.87 0.00 0.00 5.82 8.06 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 49 D 7.82 4.90 0.00 2.82 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 50 L 8.50 3.91 0.00 1.85 1.83 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.34 3.92 0.00 3.17 2.91 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 52 E 8.45 3.93 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 53 L 7.67 3.87 0.00 1.72 1.77 0.86 0.48 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 54 V 7.73 3.57 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 0.81 0.00 0.00 0.89 0.00 0.00 55 L 7.84 3.66 0.00 1.13 1.67 0.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.18 4.55 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.87 4.07 0.00 2.02 2.13 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 2.25 2.29 0.00 58 V 7.20 4.15 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 0.99 0.00 0.00 0.93 0.00 0.00 59 E 8.42 3.80 0.00 1.59 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 2.29 2.53 0.00 60 Q 6.82 3.52 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.27 1.97 0.00 61 P 0.00 4.18 0.00 2.23 2.22 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 62 L 7.48 3.83 0.00 1.76 1.82 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.54 3.90 0.00 1.72 1.71 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.28 4.31 0.00 2.80 2.82 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 0.00 0.00 0.00 65 M 8.32 4.07 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.82 0.00 66 V 8.13 3.62 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 1.11 0.00 0.00 0.95 0.00 0.00 67 M 8.56 4.02 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 68 Q 8.27 3.95 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 69 Y 8.06 4.15 0.00 3.12 3.21 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 70 T 8.27 4.31 4.29 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 0.00 0.00 1.47 0.00 0.00 71 Y 8.81 3.36 0.00 3.03 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 72 G 8.60 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 73 N 8.33 4.62 0.00 2.83 2.86 0.00 0.00 7.13 7.20 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 74 Q 8.48 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 75 T 7.85 3.87 4.26 0.00 0.00 0.00 0.00 0.00 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 76 R 8.02 3.95 0.00 1.99 2.03 0.00 3.32 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 77 A 8.22 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.40 4.00 1.44 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 0.00 0.00 0.00 79 L 7.73 3.92 0.00 1.86 1.76 0.94 0.96 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 80 M 8.33 4.17 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 81 M 8.36 4.27 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 82 G 8.88 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 0.00 0.00 0.00 83 I 7.33 4.68 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 1.48 0.79 0.93 0.00 0.00 84 N 8.35 4.65 0.00 3.03 3.00 0.00 0.00 5.59 7.66 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 85 R 8.61 4.00 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 86 G 8.15 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.85 3.86 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 1.24 0.00 0.00 88 L 7.84 4.00 0.00 1.82 1.90 0.94 0.83 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 89 R 8.19 3.92 0.00 2.02 1.97 0.00 3.41 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 90 K 8.79 3.88 0.00 1.91 2.04 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 91 K 8.48 4.03 0.00 1.90 2.05 0.00 1.82 0.00 0.00 2.03 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.71 7.81 92 L 8.21 4.09 0.00 1.87 1.78 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.32 4.05 0.00 2.06 1.93 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 94 K 7.83 3.82 0.00 1.84 1.63 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.80 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 1.38 7.81 95 Y 7.99 4.66 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 96 G 7.63 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.67 4.33 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.52 0.00 98 N 8.13 4.49 0.00 2.81 2.83 0.00 0.00 5.96 7.56 0.00 0.00 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.