NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 4.2213 8.5798 107.8329 46.0970 0.0000 172.7700 12 T 4.0926 8.0880 110.0520 61.0592 69.8350 170.8441 13 E 4.8703 9.4341 125.5452 56.0198 31.7319 176.1566 14 C 4.9828 9.1967 118.9205 58.5576 33.6359 172.8459 15 I 4.9265 8.5665 120.1779 59.2559 40.6799 175.1221 16 A 4.2933 8.6839 128.3644 52.0602 18.5790 178.6333 17 K 3.8019 9.0180 123.5855 58.8083 32.8241 176.5380 18 Y 5.0287 7.4871 114.8483 56.3875 42.4388 174.4753 19 N 4.8858 8.9421 117.7168 53.3195 40.0207 175.5136 20 F 4.7203 9.1594 124.5788 56.7370 41.9742 172.8708 21 H 4.3862 8.4297 123.7649 54.4749 29.2388 175.9977 22 G 3.3594 8.2949 110.9255 46.7989 0.0000 173.0381 23 T 4.3997 8.8383 109.4076 61.5556 70.4213 173.8458 24 A 4.6667 7.4423 123.6517 50.5353 22.4502 176.2189 25 E 4.1091 8.6605 117.8713 59.1577 29.7163 178.3111 26 Q 4.3449 7.9127 114.8387 56.3524 29.2746 175.0028 27 D 5.2081 7.4456 117.5584 54.1573 42.3111 175.9070 28 L 4.8035 9.2406 124.0063 52.7199 42.9280 174.4808 29 P 5.0740 0.0000 0.0000 62.9651 32.4939 175.0590 30 F 4.9298 7.7090 114.5256 56.9536 41.2240 171.7941 31 C 5.5076 8.8755 115.1039 57.3978 32.4132 174.0092 32 K 4.3069 9.7819 122.9283 58.2987 32.0959 177.5216 33 G 4.0373 8.9215 113.8653 45.4748 0.0000 173.6839 34 D 4.5488 7.9708 120.2505 54.4988 42.0508 175.4559 35 V 4.5877 8.2374 121.8049 61.5988 33.1607 174.8947 36 L 4.9832 8.7968 126.3227 53.1438 46.4454 175.4045 37 T 4.8237 8.1709 115.4174 60.0671 70.1578 172.9804 38 I 4.0287 8.6870 131.2277 61.9981 37.0835 177.0595 39 V 3.7810 8.4928 128.6373 65.4070 32.3402 175.2541 40 A 4.6372 7.7110 120.1860 51.2885 22.6163 175.0440 41 V 4.8754 8.4105 118.5600 60.6734 33.8482 175.7103 42 T 4.9252 7.7730 113.2692 59.8977 71.2398 174.0658 43 K 4.1980 8.8274 119.0355 58.1382 33.2881 175.9148 44 D 4.8973 7.9121 120.6907 51.7870 43.0770 174.5414 45 P 4.3829 0.0000 0.0000 65.0997 31.6057 176.6786 46 N 4.4323 8.7865 115.0713 52.9144 38.6666 174.2292 47 W 5.2331 8.1604 119.1256 55.0959 33.3197 174.0167 48 Y 5.3353 8.8743 121.3885 56.1201 41.5711 174.4818 49 K 4.9982 8.9228 121.9131 55.8761 34.4331 175.1045 50 A 5.0448 9.2121 126.4167 51.1830 23.4630 174.9924 51 K 5.2496 8.4951 118.2026 54.8641 36.3294 177.0246 52 N 4.9845 9.0392 122.4537 51.2769 39.0303 175.8146 53 K 4.1730 8.5501 116.5959 58.7019 32.5823 177.6936 54 V 4.1270 7.7785 117.8533 61.1454 32.0512 176.1996 55 G 4.0521 7.9862 108.8215 45.4126 0.0000 174.4192 56 R 4.0808 8.2488 121.4931 56.4466 30.9787 175.0253 57 E 5.2782 8.5515 126.5481 54.5378 32.7785 174.6855 58 G 4.1081 8.6887 111.5722 46.2351 0.0000 171.8106 59 I 5.0832 8.2248 121.2388 60.8516 38.5533 175.7887 60 I 5.0896 8.9763 118.4974 58.6951 41.8369 172.6368 61 P 3.6139 0.0000 0.0000 61.3443 31.5445 177.5584 62 A 3.7554 7.8617 126.2000 55.1707 18.4235 179.6990 63 N 4.4421 7.7376 112.2716 56.4576 38.9367 175.6006 64 Y 4.6255 8.2504 114.3381 58.6402 38.4240 174.9607 65 V 4.9211 7.2963 118.3832 59.7414 34.6346 174.9299 66 Q 4.5092 8.7303 122.4518 53.8235 31.8931 174.7327 67 K 4.0737 8.9979 129.9593 57.3870 33.2784 177.2099 *68 R 4.1178 8.2692 120.2563 56.4545 30.0706 176.2045 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 11 G 8.58 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 0.00 0.00 0.00 0.00 12 T 8.09 4.09 4.16 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 0.00 0.00 0.00 1.11 0.00 0.00 13 E 9.43 4.87 0.00 1.83 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 2.23 2.30 0.00 14 C 9.20 4.98 0.00 2.67 2.76 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 0.00 0.00 0.00 15 I 8.57 4.93 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.91 0.00 0.00 16 A 8.68 4.29 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.02 3.80 0.00 0.79 1.03 0.00 1.73 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.32 7.81 18 Y 7.49 5.03 0.00 2.71 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 19 N 8.94 4.89 0.00 2.72 2.74 0.00 0.00 6.57 7.45 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 20 F 9.16 4.72 0.00 2.11 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 0.00 0.00 0.00 21 H 8.43 4.39 0.00 2.90 3.11 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.29 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 0.00 0.00 0.00 23 T 8.84 4.40 4.30 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 nan 0.00 0.00 24 A 7.44 4.67 1.19 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 25 E 8.66 4.11 0.00 1.95 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 2.29 2.22 0.00 26 Q 7.91 4.34 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 27 D 7.45 5.21 0.00 2.81 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 28 L 9.24 4.80 0.00 1.66 1.87 1.04 1.17 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 29 P 0.00 5.07 0.00 2.04 1.85 0.00 3.55 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.77 0.00 30 F 7.71 4.93 0.00 3.33 3.27 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 31 C 8.88 5.51 0.00 3.18 2.98 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 32 K 9.78 4.31 0.00 1.86 1.79 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 33 G 8.92 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 34 D 7.97 4.55 0.00 2.97 2.60 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 35 V 8.24 4.59 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 0.76 0.00 0.00 0.91 0.00 0.00 36 L 8.80 4.98 0.00 1.38 1.32 0.13 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.17 4.82 4.20 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 1.25 0.00 0.00 38 I 8.69 4.03 1.67 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 0.97 0.52 0.53 0.00 0.00 39 V 8.49 3.78 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 0.77 0.00 0.00 0.98 0.00 0.00 40 A 7.71 4.64 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 41 V 8.41 4.88 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 0.85 0.00 0.00 1.07 0.00 0.00 42 T 7.77 4.93 4.30 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 1.34 0.00 0.00 43 K 8.83 4.20 0.00 1.91 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 44 D 7.91 4.90 0.00 2.65 2.65 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 45 P 0.00 4.38 0.00 2.09 2.14 0.00 3.76 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 2.06 2.16 0.00 46 N 8.79 4.43 0.00 2.65 2.44 0.00 0.00 6.57 7.96 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 47 W 8.16 5.23 0.00 3.21 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 48 Y 8.87 5.34 0.00 2.91 2.88 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 49 K 8.92 5.00 0.00 1.93 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.46 7.81 50 A 9.21 5.04 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 51 K 8.50 5.25 0.00 1.64 1.67 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.36 7.81 52 N 9.04 4.98 0.00 2.96 3.04 0.00 0.00 6.59 6.18 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 53 K 8.55 4.17 0.00 1.89 1.98 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.38 7.81 54 V 7.78 4.13 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 0.82 0.00 0.00 0.95 0.00 0.00 55 G 7.99 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 0.00 0.00 0.00 56 R 8.25 4.08 0.00 1.96 1.97 0.00 3.07 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 57 E 8.55 5.28 0.00 2.01 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 2.22 2.49 0.00 58 G 8.69 4.11 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 0.00 0.00 0.00 59 I 8.22 5.08 2.09 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 1.31 0.73 1.19 0.00 0.00 60 I 8.98 5.09 2.10 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 1.25 0.00 0.00 61 P 0.00 3.61 0.00 1.64 0.81 0.00 3.01 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.47 0.00 62 A 7.86 3.76 0.56 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 63 N 7.74 4.44 0.00 2.64 3.03 0.00 0.00 6.93 7.46 0.00 0.00 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 Y 8.25 4.63 0.00 3.06 3.35 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 65 V 7.30 4.92 2.05 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 0.82 0.00 0.00 0.84 0.00 0.00 66 Q 8.73 4.51 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 67 K 9.00 4.07 0.00 1.76 1.70 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.49 7.81 *68 R 8.27 4.12 0.00 1.59 1.70 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.