NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3902 8.2027 119.6406 55.2947 31.7963 174.2789 3 S 4.9900 8.0348 112.6765 54.5448 64.3383 171.7038 4 I 4.7839 8.3985 119.1862 59.3186 41.7935 173.4056 5 N 5.3012 8.3529 122.0133 52.9052 40.2495 176.1086 6 F 4.4003 8.8429 119.0346 59.3120 37.7400 178.0737 7 R 3.4198 7.7098 119.2812 59.3392 29.9935 178.6304 8 T 3.8679 7.8154 108.6941 64.4134 68.3964 176.2792 9 A 3.9606 7.5078 123.1885 55.1154 18.5525 179.1379 10 R 4.0914 7.4522 114.8925 59.7684 30.2866 179.2871 11 G 3.7480 7.7093 103.1789 46.3747 0.0000 173.6832 12 N 5.0821 7.8106 119.0096 52.4374 39.5398 176.7278 13 L 3.9882 8.1996 121.9278 58.1372 42.6109 178.0457 14 S 4.2814 7.9817 111.8226 61.1409 63.5834 175.3855 15 E 4.0645 8.2799 120.6429 59.4521 29.5204 180.1135 16 V 3.6928 7.5648 116.6791 63.3943 31.3398 177.2984 *18 N 4.7443 8.2645 117.5461 52.9470 40.8507 176.6773 19 N 4.2645 8.3717 115.5721 56.3240 38.1470 177.3506 20 V 3.8693 8.0511 121.2805 65.5867 31.3689 177.7502 21 E 3.9608 8.1286 116.7035 59.0539 29.5983 178.0521 22 A 4.2031 7.9372 120.5481 53.7105 18.5313 177.4390 23 G 3.7734 6.9096 111.7969 45.7357 0.0000 173.2343 24 E 4.2712 7.7978 121.2478 56.3014 31.0940 176.1306 25 E 4.7562 8.6490 120.8647 54.7774 32.0783 175.1177 26 V 4.3027 8.3675 125.6401 61.5367 32.8192 174.8562 27 E 4.7076 9.6185 130.0695 55.9544 31.5223 175.3956 28 I 4.9899 8.8872 126.0769 59.9158 40.2111 174.7765 29 T 4.8362 8.8046 118.1246 60.4705 71.4731 174.3584 30 R 4.7048 8.1294 120.5722 54.1805 33.9159 175.0232 31 R 4.1345 8.5608 121.9055 57.7113 30.3312 176.8904 32 G 3.9705 9.1966 112.2436 44.9069 0.0000 172.7492 33 R 4.6266 7.2741 116.7872 54.1082 33.0587 174.8872 34 E 4.3880 8.3184 118.6699 54.9468 30.5163 174.9681 35 P 4.8287 0.0000 0.0000 62.5264 33.3123 174.0929 36 A 4.9167 8.6913 121.2333 50.0485 22.9117 175.0909 37 V 4.8512 8.0771 117.2636 61.6645 34.5991 174.5094 38 I 4.4778 9.0895 128.9086 60.3855 38.8221 174.7135 39 A 5.0266 8.2497 126.4035 50.4007 22.4844 176.0483 40 S 4.1942 8.6444 113.8370 58.0056 63.8559 175.5808 41 K 3.8888 8.7492 123.1674 59.5166 31.7339 178.9917 42 A 3.9680 7.9428 120.9187 55.4198 18.4309 179.5806 43 T 3.5682 7.7919 108.2861 64.4861 68.8951 176.5818 44 F 3.9978 8.3298 123.7628 61.2740 39.4560 177.0251 45 E 3.9782 8.6297 117.9788 59.3480 29.2880 179.2996 46 A 3.9844 7.6881 120.9967 55.1621 18.3986 179.3851 47 Y 4.2568 7.7669 115.3222 61.1393 37.9111 178.3265 48 K 3.6841 7.9895 120.8780 59.4711 32.1062 178.6660 49 K 3.8472 8.1394 119.5310 59.3109 32.1213 178.7179 50 A 3.9054 7.9282 120.4878 54.9047 18.3922 179.2855 51 A 3.8101 7.9109 119.3338 55.3319 18.4177 179.6478 52 L 3.4852 7.8744 118.7351 58.0689 42.0607 178.8177 53 D 4.2102 8.1205 118.8243 57.4232 40.6713 178.7032 54 A 3.9651 7.7763 121.0216 55.0314 18.1312 179.3176 55 E 3.7830 7.7324 117.6543 59.4875 29.6126 179.1497 56 F 4.2403 7.8767 117.6527 60.2735 38.8621 177.6397 57 A 4.0902 7.9167 120.9235 54.8565 18.0907 179.6198 58 S 4.2496 7.8360 112.8148 60.7803 63.3636 176.6039 59 L 3.9172 7.4741 122.7360 58.1474 41.8597 178.7446 60 F 4.5542 8.2464 118.0902 60.8601 38.6173 177.3328 61 D 4.5340 8.0536 117.2049 57.9662 40.7862 178.7546 62 T 4.1037 8.0409 114.7019 65.5730 68.7208 175.1047 63 L 4.7989 8.0080 120.4022 54.2771 42.8349 178.2629 64 D 4.4758 8.2185 122.0026 56.8388 41.1563 177.3849 65 S 4.0779 7.9142 113.2365 61.7836 62.6354 176.1664 66 T 3.9735 7.8313 117.9053 66.3487 68.3544 176.4900 67 N 4.2845 8.1167 118.6010 56.3413 38.3753 177.5324 68 K 4.0321 7.6452 118.1475 59.4301 31.8948 178.7502 69 E 4.0668 7.9887 119.1693 59.1904 29.5577 178.8664 70 L 4.0856 8.1328 119.0024 57.3499 41.3610 179.4400 71 V 3.5944 7.1415 116.6506 65.7592 31.5215 176.3719 72 N 4.6442 7.6064 111.7446 53.5688 38.9244 175.3494 73 R 4.2155 7.5267 122.8330 56.2232 30.3521 175.8821 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 4.39 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 3 S 8.03 4.99 0.00 3.94 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 4 I 8.40 4.78 1.89 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 1.25 0.61 0.92 0.00 0.00 5 N 8.35 5.30 0.00 2.90 2.75 0.00 0.00 7.23 7.59 0.00 0.00 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 F 8.84 4.40 0.00 3.49 3.20 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 0.00 0.00 0.00 0.00 7 R 7.71 3.42 0.00 1.70 1.80 0.00 3.08 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.00 8 T 7.82 3.87 4.22 0.00 0.00 0.00 0.00 0.00 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 9 A 7.51 3.96 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 10 R 7.45 4.09 0.00 1.79 1.93 0.00 2.87 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 11 G 7.71 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.81 5.08 0.00 2.76 2.91 0.00 0.00 6.56 6.60 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 13 L 8.20 3.99 0.00 1.69 1.68 0.92 1.00 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 14 S 7.98 4.28 0.00 4.01 3.98 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 0.00 0.00 0.00 15 E 8.28 4.06 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 2.39 2.29 0.00 16 V 7.56 3.69 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 1.00 0.00 0.00 1.01 0.00 0.00 *18 N 8.26 4.74 0.00 2.89 2.89 0.00 0.00 7.02 6.92 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 19 N 8.37 4.26 0.00 3.00 2.87 0.00 0.00 6.58 7.17 0.00 0.00 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 V 8.05 3.87 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 1.18 0.00 0.00 1.01 0.00 0.00 21 E 8.13 3.96 0.00 2.00 1.96 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 2.29 2.37 0.00 22 A 7.94 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 6.91 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 24 E 7.80 4.27 0.00 2.07 1.89 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 2.34 2.45 0.00 25 E 8.65 4.76 0.00 1.85 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 0.00 2.28 2.33 0.00 26 V 8.37 4.30 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 0.83 0.00 0.00 0.95 0.00 0.00 27 E 9.62 4.71 0.00 2.06 1.91 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 2.31 2.47 0.00 28 I 8.89 4.99 1.90 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 1.32 0.70 0.99 0.00 0.00 29 T 8.80 4.84 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 1.23 0.00 0.00 30 R 8.13 4.70 0.00 1.73 1.64 0.00 2.51 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 31 R 8.56 4.13 0.00 1.81 1.89 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 32 G 9.20 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 33 R 7.27 4.63 0.00 1.74 1.79 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 34 E 8.32 4.39 0.00 1.94 1.86 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 2.26 2.27 0.00 35 P 0.00 4.83 0.00 2.08 2.07 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 36 A 8.69 4.92 1.24 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 37 V 8.08 4.85 2.16 0.00 0.00 0.00 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 0.97 0.00 0.00 38 I 9.09 4.48 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 1.16 0.82 0.90 0.00 0.00 39 A 8.25 5.03 1.29 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 0.00 0.00 0.00 40 S 8.64 4.19 0.00 4.00 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 41 K 8.75 3.89 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.50 7.81 42 A 7.94 3.97 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 43 T 7.79 3.57 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 1.06 0.00 0.00 44 F 8.33 4.00 0.00 3.21 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 45 E 8.63 3.98 0.00 2.09 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 2.58 2.57 0.00 46 A 7.69 3.98 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 47 Y 7.77 4.26 0.00 2.91 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 48 K 7.99 3.68 0.00 1.48 1.83 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.33 7.81 49 K 8.14 3.85 0.00 1.92 1.93 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.60 7.81 50 A 7.93 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 51 A 7.91 3.81 1.28 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 0.00 0.00 52 L 7.87 3.49 0.00 1.68 1.61 0.61 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.12 4.21 0.00 2.82 2.69 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 54 A 7.78 3.97 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 55 E 7.73 3.78 0.00 2.02 1.71 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 2.23 2.26 0.00 56 F 7.88 4.24 0.00 2.95 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 0.00 0.00 0.00 0.00 57 A 7.92 4.09 1.42 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 0.00 0.00 0.00 58 S 7.84 4.25 0.00 4.03 4.12 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 59 L 7.47 3.92 0.00 1.80 1.73 0.95 0.92 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 60 F 8.25 4.55 0.00 3.23 2.96 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 61 D 8.05 4.53 0.00 2.90 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 62 T 8.04 4.10 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 1.23 0.00 0.00 63 L 8.01 4.80 0.00 1.77 1.67 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.22 4.48 0.00 3.06 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 65 S 7.91 4.08 0.00 3.93 3.83 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 0.00 0.00 0.00 66 T 7.83 3.97 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 1.21 0.00 0.00 67 N 8.12 4.28 0.00 2.92 2.73 0.00 0.00 6.94 7.69 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 68 K 7.65 4.03 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.53 7.81 69 E 7.99 4.07 0.00 2.16 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 0.00 2.29 2.34 0.00 70 L 8.13 4.09 0.00 1.86 1.67 0.91 0.65 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 71 V 7.14 3.59 2.19 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 0.80 0.00 0.00 0.94 0.00 0.00 72 N 7.61 4.64 0.00 2.78 2.82 0.00 0.00 6.95 7.54 0.00 0.00 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 R 7.53 4.22 0.00 1.76 1.80 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 * Residues marked with a * may have inaccurate shift predictions.