NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2708 8.2033 119.6798 55.3180 31.1711 176.4996 3 L 4.0017 7.6755 118.9427 56.2236 41.6118 173.5051 4 V 3.6793 8.4133 119.0747 65.8284 31.6960 177.7033 5 L 3.9706 7.7359 117.5131 57.3827 41.8698 178.8111 6 A 3.8507 7.4248 119.2830 55.1114 18.4497 179.4771 7 A 4.1275 8.3804 118.7778 54.1982 18.5160 179.5965 8 K 4.0347 7.6898 117.7493 59.4941 32.1141 178.4593 9 Y 4.2082 7.9764 116.7038 60.7440 37.8920 177.9703 10 I 3.8662 7.8668 120.5032 64.3626 37.4876 178.4898 11 G 3.6675 8.2115 106.3451 47.7559 0.0000 175.4472 12 A 4.2464 7.7366 121.7557 54.5889 18.6218 179.5809 13 G 3.6960 7.8324 104.5422 48.6371 0.0000 176.2187 14 I 3.8195 8.1944 122.3200 64.0616 37.0134 178.5319 15 S 4.3259 7.7501 114.8881 61.2298 62.6929 176.2116 16 T 4.2181 7.7309 118.1871 65.5935 68.3993 176.7291 17 I 4.0081 7.5638 121.0272 63.8841 36.9201 178.3330 18 G 3.7268 7.8109 105.2738 47.3976 0.0000 175.5793 19 L 4.1433 7.8373 120.8658 57.0387 41.5883 178.7650 20 L 4.1174 7.8936 120.7291 58.2245 41.8806 179.3784 21 G 3.5576 7.9922 105.1208 47.8149 0.0000 175.7419 22 A 4.2021 8.0401 123.1585 54.3746 17.9837 179.9049 23 G 3.5316 8.6486 104.9343 48.1975 0.0000 176.1695 24 I 3.7248 7.7534 122.5046 63.5941 36.9458 178.5477 25 G 3.7687 8.2178 106.7613 48.0652 0.0000 175.5453 26 I 3.9482 7.7882 122.3464 63.9675 37.2142 178.0749 27 A 4.0792 7.5457 121.1528 55.5138 18.1988 179.6260 28 I 3.6603 7.7748 117.9595 64.6546 37.2186 178.9126 29 V 3.5870 7.6367 118.9809 66.1470 31.3999 178.1559 30 F 3.9499 8.6255 117.3703 60.2004 38.7350 177.5841 31 A 4.0303 8.8223 120.7499 55.2632 18.2598 179.6204 32 A 4.0333 8.0613 119.0328 54.7482 18.2471 179.7014 33 L 3.8661 7.8339 119.6639 58.3115 42.3123 179.2042 34 I 3.8569 7.8400 113.0758 63.9356 37.4631 177.9390 35 N 4.6098 7.5328 119.0264 55.3972 38.5214 177.3591 36 G 3.7065 8.2728 107.3048 47.2135 0.0000 175.3495 37 V 3.9831 7.4828 119.1850 64.1580 31.8339 177.2332 38 S 4.5191 7.8554 113.2077 60.0059 62.4392 175.0574 39 R 4.4969 7.4101 119.5998 54.5888 32.3267 176.7388 40 N 4.1935 7.3612 113.6888 52.6452 38.0672 171.7949 41 P 4.9603 0.0000 0.0000 63.7637 32.0336 175.1556 42 S 4.7788 7.6221 108.6516 59.0248 63.5323 175.8535 43 I 3.5930 7.7842 122.6237 64.8874 38.3595 175.2207 44 K 4.1751 7.7424 125.6519 57.0393 31.4300 176.3219 45 D 4.6265 8.5404 123.8730 54.3188 40.0693 171.7224 46 T 3.5309 7.6687 115.9738 64.1034 67.8254 174.3046 47 V 3.9284 7.8758 118.6686 65.6904 32.2762 178.5024 48 F 3.9953 7.7454 119.9188 60.4899 39.0699 174.9732 49 P 4.2681 0.0000 0.0000 66.1172 31.1283 178.1319 50 M 4.1931 7.9895 115.1420 56.9829 31.6837 177.7129 51 A 4.1636 7.3067 120.7173 53.0280 19.6964 178.9527 52 I 3.8798 7.1135 117.9905 63.7730 37.5106 177.8214 53 L 3.9280 7.7398 121.1621 58.1011 41.5609 179.3578 54 G 3.5958 7.9179 105.6305 47.4963 0.0000 175.6282 55 F 4.3681 7.9742 122.8279 60.9647 39.5644 177.0801 56 A 3.4735 8.5721 120.9815 55.1334 18.0725 179.5408 57 L 4.0540 7.5076 114.5643 56.6960 41.7495 178.4677 58 S 4.5170 7.2603 110.3455 58.6773 63.4803 174.3837 59 E 4.2052 7.8250 120.3287 56.6935 29.4649 177.2224 60 A 3.9295 7.7119 120.1618 55.4326 18.2261 179.8097 61 T 4.0022 7.8927 114.5862 66.9159 68.6611 176.8666 62 G 3.6140 7.8999 107.0916 47.7487 0.0000 175.5987 63 L 3.9908 7.9620 121.3103 57.5127 41.4447 179.2426 64 F 4.6049 7.7714 115.9293 59.4140 38.8829 176.3847 65 C 4.4727 7.7213 118.5651 61.2026 32.1148 175.1127 66 L 4.2563 8.4384 122.0385 57.8057 41.5514 178.5448 67 M 4.1369 7.8500 118.1515 58.5850 32.1532 178.2785 68 V 3.6848 7.8708 118.2802 65.6071 31.5453 178.0719 69 S 4.1628 7.6740 112.4184 61.4275 63.1412 176.2503 70 F 4.0498 8.3940 120.1786 59.4431 38.7100 177.2692 71 L 4.1989 8.1679 120.1628 57.6894 42.0151 177.9641 72 L 4.4040 7.5448 117.7567 55.6837 41.8688 177.3714 *73 L 4.1420 7.7614 124.7727 54.4882 41.6408 181.1901 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 Q 8.20 4.27 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 3 L 7.68 4.00 0.00 1.74 1.67 0.91 0.53 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 4 V 8.41 3.68 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 1.07 0.00 0.00 0.92 0.00 0.00 5 L 7.74 3.97 0.00 1.52 1.42 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.42 3.85 1.30 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 0.00 0.00 7 A 8.38 4.13 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 8 K 7.69 4.03 0.00 2.24 2.20 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.54 7.81 9 Y 7.98 4.21 0.00 3.10 2.94 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 0.00 0.00 0.00 10 I 7.87 3.87 1.90 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 1.60 0.76 0.93 0.00 0.00 11 G 8.21 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 12 A 7.74 4.25 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 13 G 7.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.19 3.82 1.88 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 1.69 1.41 0.92 0.00 0.00 15 S 7.75 4.33 0.00 4.13 3.94 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 0.00 0.00 0.00 16 T 7.73 4.22 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 17 I 7.56 4.01 1.88 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 1.46 0.93 0.92 0.00 0.00 18 G 7.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.14 0.00 1.86 1.75 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.89 4.12 0.00 1.88 1.77 0.93 0.79 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 21 G 7.99 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.04 4.20 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 23 G 8.65 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.72 2.01 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 1.47 0.56 0.93 0.00 0.00 25 G 8.22 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 26 I 7.79 3.95 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.34 1.09 0.00 0.00 27 A 7.55 4.08 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 28 I 7.77 3.66 2.07 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 1.44 1.02 0.94 0.00 0.00 29 V 7.64 3.59 2.18 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 0.92 0.00 0.00 1.02 0.00 0.00 30 F 8.63 3.95 0.00 3.31 3.11 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 0.00 0.00 0.00 31 A 8.82 4.03 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 32 A 8.06 4.03 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 33 L 7.83 3.87 0.00 1.64 1.73 1.02 0.98 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 34 I 7.84 3.86 1.92 0.00 0.00 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 1.81 0.48 1.07 0.00 0.00 35 N 7.53 4.61 0.00 2.86 2.93 0.00 0.00 6.93 7.64 0.00 0.00 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 G 8.27 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 0.00 0.00 0.00 37 V 7.48 3.98 2.18 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 1.08 0.00 0.00 1.02 0.00 0.00 38 S 7.86 4.52 0.00 4.06 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 39 R 7.41 4.50 0.00 1.88 1.93 0.00 3.37 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 40 N 7.36 4.19 0.00 2.91 2.86 0.00 0.00 6.87 7.90 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 41 P 0.00 4.96 0.00 2.16 2.11 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 42 S 7.62 4.78 0.00 3.98 4.05 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 0.00 0.00 0.00 43 I 7.78 3.59 1.86 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 1.21 1.09 0.88 0.00 0.00 44 K 7.74 4.18 0.00 1.70 1.72 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.47 7.81 45 D 8.54 4.63 0.00 2.85 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 46 T 7.67 3.53 4.42 0.00 0.00 0.00 0.00 0.00 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 47 V 7.88 3.93 2.24 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 1.01 0.00 0.00 1.01 0.00 0.00 48 F 7.75 4.00 0.00 3.38 3.05 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 0.00 0.00 0.00 49 P 0.00 4.27 0.00 2.19 2.11 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 50 M 7.99 4.19 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 51 A 7.31 4.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 3.88 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 1.06 0.00 0.00 53 L 7.74 3.93 0.00 1.83 1.62 0.91 1.41 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 54 G 7.92 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.37 0.00 3.33 3.36 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 56 A 8.57 3.47 1.30 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 0.00 0.00 57 L 7.51 4.05 0.00 1.59 1.72 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.26 4.52 0.00 4.02 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 59 E 7.83 4.21 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 60 A 7.71 3.93 1.34 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 0.00 0.00 61 T 7.89 4.00 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 1.24 0.00 0.00 62 G 7.90 3.61 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 0.00 0.00 0.00 63 L 7.96 3.99 0.00 1.43 1.45 0.74 0.73 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 64 F 7.77 4.60 0.00 3.13 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 65 C 7.72 4.47 0.00 3.28 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 66 L 8.44 4.26 0.00 2.00 1.67 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.85 4.14 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 68 V 7.87 3.68 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 1.06 0.00 0.00 0.99 0.00 0.00 69 S 7.67 4.16 0.00 4.25 4.01 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 70 F 8.39 4.05 0.00 3.17 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 71 L 8.17 4.20 0.00 1.95 1.81 0.98 1.33 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 L 7.54 4.40 0.00 1.64 1.70 0.98 1.34 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 *73 L 7.76 4.14 0.00 1.41 1.48 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.