NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3271 8.1733 120.1558 56.3058 33.3094 176.3235 3 E 4.1321 8.6471 123.3176 57.0614 29.6425 175.5597 4 E 3.9577 8.7616 121.4406 59.2438 30.2230 177.9822 5 F 4.6599 8.0017 117.6563 60.7772 38.8167 177.6291 6 S 4.1125 7.6766 111.5544 61.5416 62.7635 175.6651 7 Y 4.1663 7.7068 122.5975 60.4352 38.7677 177.0646 8 E 4.2728 8.2048 119.2659 57.7199 29.4208 176.5954 9 I 3.8715 7.5479 120.5564 60.8710 36.9280 175.4638 10 L 4.1438 8.5511 127.1929 56.6684 42.6076 177.6484 11 E 4.4821 7.5359 118.8335 54.6736 33.3038 173.9644 12 E 5.2032 8.6538 126.6684 55.1330 29.4485 176.0002 13 V 4.0524 8.4753 125.3235 65.0083 32.7904 176.0289 14 A 4.6280 8.2736 119.7731 50.7396 23.0935 175.5346 15 V 4.4213 8.3859 121.2912 61.4726 32.3771 175.3102 16 L 4.5189 9.2227 129.4795 57.0761 42.7058 176.7951 17 S 4.6692 7.7580 111.1365 57.8707 66.1483 173.7000 18 E 5.1861 8.6560 120.3835 55.0097 32.6908 174.0665 19 N 4.9425 9.1045 124.0479 50.9844 39.8550 174.9802 20 A 4.1682 8.5112 119.4361 54.1144 18.4994 178.2556 21 R 4.4665 8.5972 114.0201 55.5363 30.5610 177.3836 22 G 4.0373 8.6132 106.9460 45.0444 0.0000 174.1944 23 W 4.5545 8.3067 119.7495 56.6582 30.6891 175.3697 24 R 5.4392 9.1512 121.4480 53.2167 34.0114 174.3537 25 K 4.9540 8.3047 124.8971 55.9160 33.8272 175.3598 26 E 5.2109 9.6259 126.6119 54.5398 34.2373 174.3993 27 L 5.0243 8.8964 125.8279 54.0889 43.5745 175.0167 28 N 5.4948 9.2732 123.5705 51.3000 43.1907 173.0924 29 L 4.5660 8.5525 123.6528 53.8404 43.8147 175.4367 30 I 4.6325 8.3145 126.4339 59.3971 41.5741 174.3607 31 S 4.6769 8.3008 121.5973 56.0872 63.4296 173.7540 32 W 4.5636 8.4230 128.6780 57.4884 29.2448 176.6351 33 N 4.3073 10.0156 123.0016 54.4921 36.1481 175.5699 34 G 3.9657 7.7908 100.0343 45.7764 0.0000 174.4718 35 R 4.2994 7.7894 118.5312 54.4674 30.9384 174.4593 36 P 4.3157 0.0000 0.0000 62.7216 31.6885 174.9381 37 P 4.5298 0.0000 0.0000 62.8199 32.0894 175.8787 38 K 4.5572 8.8606 121.5634 54.4683 37.0584 175.8507 39 F 4.5656 8.4606 121.4978 57.7242 40.4019 173.8791 40 D 5.2543 9.3625 121.7617 52.6055 44.8806 173.5817 41 L 5.5537 8.8708 127.8502 52.9726 44.6353 174.9250 42 R 4.8706 8.3979 124.2053 55.5796 33.5732 172.6725 43 E 5.0256 8.3225 123.6304 55.5796 30.6712 175.7456 44 W 4.9778 9.5531 125.7063 54.3810 33.4317 174.9975 45 A 2.5800 7.7518 125.5729 50.7521 18.7233 176.5888 46 P 4.0585 0.0000 0.0000 65.6371 31.4856 178.7024 47 D 4.7819 7.6499 115.8725 54.7074 41.3743 175.4186 48 H 4.1482 7.9131 111.0358 56.3971 26.9488 176.7898 49 E 4.2619 8.2565 116.8724 58.0435 30.3499 175.5100 50 K 4.4493 7.3655 119.8473 56.0403 35.8039 172.2175 *52 G 4.2425 8.2828 104.6406 46.1639 0.0000 172.6038 53 K 4.1991 8.5832 119.1273 57.2689 34.0171 177.0933 54 G 4.4766 7.9882 107.2839 46.7712 0.0000 171.8465 55 I 4.8423 8.4141 120.1723 60.0672 41.9365 175.3720 56 T 5.1211 8.6504 124.3850 62.2200 70.5677 173.9102 57 L 5.1260 9.0946 126.0192 52.9210 43.7279 176.9090 58 T 4.1711 8.9854 114.6630 61.5722 69.6315 175.0165 59 N 4.6895 8.7107 118.8485 55.9593 38.5799 177.5877 60 E 4.0805 8.2058 119.2336 59.4671 29.8839 178.8959 61 E 4.0324 8.1632 119.4693 59.0809 29.5386 179.0851 62 F 4.1812 8.5863 120.5198 60.8308 39.4030 177.2508 63 A 3.9274 8.0487 120.3669 55.0559 18.2189 179.4019 64 E 3.8635 8.0283 116.7497 59.4516 29.4424 179.3117 65 L 3.8352 8.1903 120.7823 58.1160 42.0543 179.0777 66 S 3.7690 7.5129 113.0796 61.0082 62.3190 175.9602 67 K 3.8980 8.5133 122.6893 59.6329 31.6199 179.0277 68 T 3.7868 7.5600 115.2344 66.8052 68.5461 176.5472 69 I 3.7821 7.6171 120.4158 64.0144 37.0329 178.3214 70 K 4.0734 8.0099 120.8042 59.1584 32.4801 180.6075 71 S 4.7888 7.6407 114.9317 57.8256 61.7957 174.4964 *73 L 4.0805 7.7211 121.9561 54.8230 43.9361 175.7748 74 E 4.1175 7.7066 121.7910 57.5170 29.7630 174.0502 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 2 K 8.17 4.33 0.00 1.84 1.64 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.22 7.81 3 E 8.65 4.13 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 4 E 8.76 3.96 0.00 1.93 1.68 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 2.36 2.37 0.00 5 F 8.00 4.66 0.00 3.36 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 6 S 7.68 4.11 0.00 4.07 4.03 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 0.00 0.00 0.00 7 Y 7.71 4.17 0.00 2.90 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 8 E 8.20 4.27 0.00 2.22 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 2.59 2.74 0.00 9 I 7.55 3.87 1.57 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.26 0.56 0.00 0.00 10 L 8.55 4.14 0.00 1.31 1.51 0.69 0.59 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 11 E 7.54 4.48 0.00 1.87 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 12 E 8.65 5.20 0.00 1.81 1.81 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 2.13 1.97 0.00 13 V 8.48 4.05 2.32 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 0.81 0.00 0.00 1.09 0.00 0.00 14 A 8.27 4.63 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 15 V 8.39 4.42 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 0.88 0.00 0.00 0.94 0.00 0.00 16 L 9.22 4.52 0.00 1.65 1.74 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.76 4.67 0.00 3.88 3.96 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 18 E 8.66 5.19 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 2.25 2.51 0.00 19 N 9.10 4.94 0.00 2.98 2.99 0.00 0.00 6.70 8.20 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 20 A 8.51 4.17 1.32 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 0.00 0.00 0.00 21 R 8.60 4.47 0.00 2.07 2.16 0.00 3.41 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 22 G 8.61 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.31 4.55 0.00 3.41 3.34 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 0.00 24 R 9.15 5.44 0.00 1.91 1.90 0.00 3.10 0.00 0.00 3.32 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 25 K 8.30 4.95 0.00 2.25 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.51 7.81 26 E 9.63 5.21 0.00 2.17 1.84 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 2.26 2.36 0.00 27 L 8.90 5.02 0.00 1.85 1.61 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.27 5.49 0.00 2.58 2.45 0.00 0.00 6.14 7.55 0.00 0.00 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 L 8.55 4.57 0.00 1.27 1.24 -0.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.31 4.63 1.20 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 0.73 0.24 -0.60 0.00 0.00 31 S 8.30 4.68 0.00 3.65 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.42 4.56 0.00 3.50 3.08 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 0.00 0.00 0.00 0.00 33 N 10.02 4.31 0.00 2.96 2.95 0.00 0.00 7.13 7.19 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 34 G 7.79 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 35 R 7.79 4.30 0.00 2.00 1.95 0.00 3.40 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 36 P 0.00 4.32 0.00 1.93 2.00 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 37 P 0.00 4.53 0.00 1.71 1.73 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 38 K 8.86 4.56 0.00 1.59 1.79 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.55 7.81 39 F 8.46 4.57 0.00 2.86 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 40 D 9.36 5.25 0.00 2.77 2.58 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 41 L 8.87 5.55 0.00 1.89 1.60 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.40 4.87 0.00 1.95 1.94 0.00 2.53 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.49 0.00 43 E 8.32 5.03 0.00 2.13 1.97 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 2.48 2.83 0.00 44 W 9.55 4.98 0.00 3.23 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.75 2.58 0.35 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 46 P 0.00 4.06 0.00 1.97 2.10 0.00 3.28 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 47 D 7.65 4.78 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.91 4.15 0.00 3.28 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.26 4.26 0.00 2.15 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 2.17 2.31 0.00 50 K 7.37 4.45 0.00 2.02 1.63 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.50 7.81 *52 G 8.28 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 0.00 0.00 0.00 0.00 53 K 8.58 4.20 0.00 1.81 1.90 0.00 1.51 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 54 G 7.99 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.41 4.84 1.92 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 1.31 1.61 0.99 0.00 0.00 56 T 8.65 5.12 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 1.49 0.00 0.00 57 L 9.09 5.13 0.00 1.75 1.83 1.23 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.99 4.17 4.31 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 1.28 0.00 0.00 59 N 8.71 4.69 0.00 2.83 3.03 0.00 0.00 6.56 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 60 E 8.21 4.08 0.00 2.20 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 0.00 2.41 2.38 0.00 61 E 8.16 4.03 0.00 2.25 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 2.38 2.38 0.00 62 F 8.59 4.18 0.00 3.24 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 63 A 8.05 3.93 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 64 E 8.03 3.86 0.00 2.17 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 2.43 2.47 0.00 65 L 8.19 3.84 0.00 1.66 1.44 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.51 3.77 0.00 3.55 3.71 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 67 K 8.51 3.90 0.00 1.76 1.73 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.45 7.81 68 T 7.56 3.79 4.38 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 1.17 0.00 0.00 69 I 7.62 3.78 1.81 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 1.35 0.54 0.85 0.00 0.00 70 K 8.01 4.07 0.00 1.79 1.99 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.42 7.81 71 S 7.64 4.79 0.00 4.07 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 *73 L 7.72 4.08 0.00 1.84 1.91 0.90 1.03 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 74 E 7.71 4.12 0.00 2.23 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 0.00 2.20 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.