NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4333 8.1627 120.3229 55.1697 33.4019 176.8241 2 Q 3.5534 7.9809 122.7941 57.7188 29.6838 176.2374 3 L 4.1690 7.9748 117.7769 57.1210 43.0861 178.4689 4 V 3.6008 7.6178 117.7836 65.8545 31.2739 177.9893 5 L 4.0304 7.2487 117.6632 57.3454 41.8089 179.0308 6 A 3.8361 7.4319 119.4344 55.1310 18.4724 179.5730 7 A 4.0980 8.2977 118.9417 54.3917 18.2794 179.5689 8 K 4.0634 7.6603 117.2990 59.3823 32.1002 178.4453 9 Y 4.2255 8.0204 117.0482 60.6878 37.9384 177.9084 10 I 3.8805 7.8686 120.5250 64.2914 36.9116 178.3982 11 G 3.6945 8.2570 106.4321 47.9085 0.0000 175.5305 12 A 4.1577 7.7843 122.0582 54.6549 18.5584 179.6650 13 G 3.6656 7.8506 104.6186 47.9061 0.0000 176.1976 14 I 3.7977 8.2225 122.4297 64.1108 36.9126 178.5539 15 S 4.2840 7.8661 115.3041 61.2434 62.5149 176.2378 16 T 4.2158 7.7097 118.2396 65.5876 68.3996 176.6872 17 I 3.9537 7.5950 121.3833 63.7990 36.9291 178.2800 18 G 3.7281 7.8145 105.2356 47.1877 0.0000 175.3695 19 L 4.1860 7.8262 120.4860 56.5844 41.6995 178.6535 20 L 4.0409 7.7875 121.0599 58.2155 41.8631 179.2747 21 G 3.5663 7.9598 105.3600 47.8166 0.0000 175.7044 22 A 4.1737 8.0433 123.0590 54.3063 18.5665 179.9279 23 G 3.5043 8.4079 104.8975 48.2127 0.0000 176.1521 24 I 3.9335 7.7254 122.7127 63.6227 36.7050 178.5545 25 G 3.8079 8.2999 106.8089 48.0692 0.0000 175.6274 26 I 3.9465 7.8685 122.2057 63.9846 37.2085 178.1115 27 A 4.0730 7.5932 120.7198 55.5082 18.2921 179.5479 28 I 3.6822 7.8045 118.0280 64.7210 37.3454 178.8837 29 V 3.6341 7.6412 118.3819 66.1638 31.4219 178.1676 30 F 3.9963 8.6306 117.3843 60.1352 38.6981 177.6159 31 A 4.0365 8.7657 120.8146 55.2941 18.2990 179.6287 32 A 4.0596 8.0185 118.6485 54.6344 18.2178 179.7269 33 L 3.8918 7.7092 119.3602 58.2967 42.2773 179.1427 34 I 3.7984 7.8830 113.1020 63.9130 37.4290 177.9740 35 N 4.4858 8.3207 118.5933 56.0675 38.2376 177.6473 36 G 3.6013 8.3292 107.1875 47.2106 0.0000 175.2258 37 V 3.9853 7.2821 118.2378 63.9738 31.8841 177.2762 38 S 4.3521 7.6838 112.6494 60.4250 62.8407 175.1177 39 R 4.3086 7.1338 117.3381 55.0542 31.3878 177.0426 40 N 4.2288 7.5548 116.6170 52.0496 38.1551 171.8226 41 P 4.6316 0.0000 0.0000 63.3408 32.4877 175.6640 42 S 4.4919 7.6389 115.6580 57.9868 63.2651 175.0718 43 I 3.6653 7.2857 121.3757 63.8833 38.0271 174.9363 44 K 4.1383 8.0181 120.5937 57.4749 33.1675 174.7522 45 D 4.7906 8.8348 127.1458 56.1258 41.3767 172.2434 46 T 3.6535 8.2433 125.8835 64.5627 67.2077 173.9829 47 V 3.9183 7.8516 120.3203 64.5833 31.4290 178.3536 48 F 4.5092 8.3386 121.2928 60.3866 38.9967 175.1880 49 P 4.3650 0.0000 0.0000 65.0876 31.2717 177.1598 50 M 4.4991 7.7633 115.5031 55.9561 32.2318 177.6372 51 A 3.9149 8.3562 121.3345 54.3374 18.3962 178.7716 52 I 4.3833 6.9811 116.7419 61.5124 38.9889 177.6588 53 L 4.0642 7.9165 121.3318 58.0235 41.3493 178.9900 54 G 3.6324 8.3674 105.9614 47.4272 0.0000 175.6377 55 F 4.3358 7.7526 121.7713 60.9989 39.5292 177.0926 56 A 3.4292 8.2929 120.7529 55.0986 18.0631 179.5491 57 L 4.0317 7.4991 114.7662 56.7534 41.4901 178.5174 58 S 4.4938 7.5070 111.4355 58.8617 63.0944 174.4507 59 E 3.9769 7.8289 120.3165 56.7274 29.0576 177.1458 60 A 3.9601 7.6364 119.7436 55.0904 17.8880 179.8100 61 T 4.0141 7.4609 114.8718 66.8102 68.6418 177.1223 62 G 3.6434 7.8976 107.1259 47.7878 0.0000 175.5379 63 L 4.1524 7.8338 121.1041 57.2717 41.4742 178.9264 64 F 4.8133 7.6710 114.8484 59.1578 38.9638 176.2119 65 C 4.5046 7.6499 117.7555 61.0696 32.2138 175.0907 66 L 4.2631 8.5181 122.0230 57.7829 41.5883 178.5866 67 M 4.0902 7.8106 117.7191 58.6683 32.1055 178.3344 68 V 3.6914 7.8663 118.2722 65.7288 31.5437 178.0623 69 S 4.1676 7.6892 112.2987 61.4780 63.1501 176.2897 70 F 4.0547 8.4860 120.2900 59.5141 38.7632 177.2317 71 L 4.2400 8.2808 120.7370 57.8421 41.6105 177.9337 72 L 4.5286 7.4265 116.1968 56.2949 42.1643 176.8841 73 L 4.3662 7.7020 123.6993 54.4025 43.3477 177.3638 *74 F 4.4215 8.7338 121.4619 58.0217 38.6392 171.8123 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 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 2 Q 7.98 3.55 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 3 L 7.97 4.17 0.00 1.70 1.66 0.91 0.84 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 4 V 7.62 3.60 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 1.07 0.00 0.00 0.92 0.00 0.00 5 L 7.25 4.03 0.00 1.35 1.40 0.87 0.74 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 6 A 7.43 3.84 1.31 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 0.00 0.00 0.00 7 A 8.30 4.10 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 8 K 7.66 4.06 0.00 2.27 2.17 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.54 7.81 9 Y 8.02 4.23 0.00 3.14 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 3.88 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 0.74 0.93 0.00 0.00 11 G 8.26 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.16 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 13 G 7.85 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 14 I 8.22 3.80 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 1.71 1.33 0.92 0.00 0.00 15 S 7.87 4.28 0.00 4.07 3.95 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 16 T 7.71 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 1.23 0.00 0.00 17 I 7.60 3.95 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 1.03 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 7.83 4.19 0.00 1.79 1.75 0.96 0.90 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 7.79 4.04 0.00 1.89 1.77 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.96 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 0.00 0.00 0.00 22 A 8.04 4.17 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 23 G 8.41 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.73 3.93 1.99 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 0.57 0.94 0.00 0.00 25 G 8.30 3.81 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 0.00 0.00 0.00 26 I 7.87 3.95 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.19 1.10 0.00 0.00 27 A 7.59 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.68 2.07 0.00 0.00 0.89 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 1.25 0.95 0.00 0.00 29 V 7.64 3.63 2.35 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 1.03 0.00 0.00 1.00 0.00 0.00 30 F 8.63 4.00 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.04 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 32 A 8.02 4.06 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 33 L 7.71 3.89 0.00 1.76 1.78 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.88 3.80 1.89 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 1.80 0.49 1.03 0.00 0.00 35 N 8.32 4.49 0.00 2.90 2.91 0.00 0.00 6.82 8.03 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 36 G 8.33 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 37 V 7.28 3.99 2.04 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 0.87 0.00 0.00 0.91 0.00 0.00 38 S 7.68 4.35 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.13 4.31 0.00 1.96 1.95 0.00 3.41 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 40 N 7.55 4.23 0.00 2.81 2.85 0.00 0.00 6.97 9.06 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 41 P 0.00 4.63 0.00 2.15 2.14 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 42 S 7.64 4.49 0.00 4.02 4.09 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 0.00 0.00 0.00 0.00 43 I 7.29 3.67 1.77 0.00 0.00 0.51 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 0.87 0.82 0.00 0.00 44 K 8.02 4.14 0.00 1.63 1.67 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.52 7.81 45 D 8.83 4.79 0.00 2.85 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 46 T 8.24 3.65 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 47 V 7.85 3.92 2.28 0.00 0.00 0.00 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 0.94 0.00 0.00 48 F 8.34 4.51 0.00 3.27 3.09 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 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.07 2.12 0.00 3.78 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 2.14 2.22 0.00 50 M 7.76 4.50 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 51 A 8.36 3.91 1.37 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 0.00 0.00 0.00 52 I 6.98 4.38 1.75 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.40 0.89 0.00 0.00 53 L 7.92 4.06 0.00 1.84 1.80 0.96 1.07 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 54 G 8.37 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 55 F 7.75 4.34 0.00 3.42 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.03 0.00 1.58 1.72 0.91 1.26 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 58 S 7.51 4.49 0.00 4.02 3.84 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 59 E 7.83 3.98 0.00 1.59 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 2.17 2.28 0.00 60 A 7.64 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.01 4.41 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 1.24 0.00 0.00 62 G 7.90 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.83 4.15 0.00 1.47 1.49 0.75 0.95 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 64 F 7.67 4.81 0.00 3.21 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 65 C 7.65 4.50 0.00 3.37 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 66 L 8.52 4.26 0.00 1.97 1.66 1.12 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 67 M 7.81 4.09 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 68 V 7.87 3.69 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 1.02 0.00 0.00 69 S 7.69 4.17 0.00 4.22 4.02 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 0.00 0.00 0.00 0.00 70 F 8.49 4.05 0.00 3.15 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 8.28 4.24 0.00 2.08 1.70 1.04 0.49 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 72 L 7.43 4.53 0.00 1.76 1.84 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.70 4.37 0.00 1.49 1.23 0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *74 F 8.73 4.42 0.00 2.04 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.