NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3043 8.3044 118.1936 55.1864 32.5390 172.3640 2 D 4.2278 8.4459 115.4506 52.1503 43.0683 174.6356 3 T 4.1361 8.1423 127.8657 62.7946 68.4436 174.3911 4 Q 4.4378 7.3055 119.8326 55.8456 30.5680 173.2514 5 V 4.3606 7.2413 123.9832 59.9662 33.4240 175.4047 6 K 3.9656 8.5057 122.6959 58.1279 32.7183 177.9444 7 L 3.4378 8.1847 119.5779 58.0169 42.1640 173.4539 8 A 4.9335 6.6128 128.0307 52.9348 22.5268 176.1562 9 V 4.7493 7.0317 120.5165 58.6001 33.7508 175.5297 10 V 3.7292 8.1100 123.2174 62.8151 31.8671 176.6077 11 V 3.5261 8.0935 127.6308 64.6341 31.5273 176.0861 12 K 4.1365 7.8734 116.6181 55.1496 34.9296 172.6572 13 V 3.6741 8.1371 126.7669 61.6631 30.3174 176.0052 14 M 4.1567 8.3889 122.5791 56.2695 32.6137 175.4020 15 G 3.9772 7.8562 102.2323 45.2201 0.0000 171.0058 16 R 4.4178 8.8870 118.7944 55.7630 30.6324 175.2531 *17 T 4.3804 7.3866 115.0294 59.6668 68.7006 173.6910 18 G 4.0303 9.3555 108.4822 45.8040 0.0000 174.8127 *19 S 4.4821 9.1127 127.3034 57.7240 60.4925 169.8545 *20 R 4.5044 7.4834 123.5973 53.2343 30.0523 176.8141 21 G 4.1354 9.3473 109.9342 44.7290 0.0000 170.6145 22 Q 3.4221 8.1436 121.1584 56.0383 24.8909 171.8273 23 V 3.8597 7.6362 120.0372 61.5309 32.7852 175.7635 24 T 4.5558 8.5048 121.1195 61.3859 69.6381 171.1065 25 Q 4.1045 7.8364 123.0734 57.1585 28.7879 176.7920 26 V 4.4347 7.7379 108.7708 60.8376 36.4291 172.8605 27 R 4.8747 8.0198 122.4821 54.9223 32.0298 175.9938 28 V 4.4046 8.4657 115.8710 59.3750 36.4632 174.4141 29 K 4.6873 7.9252 122.9550 54.4747 35.4039 175.2403 30 F 4.3500 8.0538 124.2642 56.8776 39.7523 176.6905 31 L 3.9883 8.9476 127.9639 57.6127 42.2063 176.2214 32 D 4.9328 7.3012 115.7334 52.8986 43.4374 174.3757 33 D 4.3979 8.6172 118.6956 54.6273 38.3634 174.2455 34 Q 4.2714 8.0333 115.2555 56.5212 29.4582 176.3419 35 N 4.1844 8.7264 112.9186 54.8809 35.2942 174.6442 36 R 4.5843 8.0309 118.5561 54.7499 32.7030 173.8160 37 L 5.1610 8.5941 127.0901 53.2169 43.4251 176.0106 38 I 4.8624 8.3317 116.6565 59.4779 42.0679 173.6242 39 M 4.9545 8.4974 119.4571 52.9614 32.4691 175.3586 40 R 4.8226 8.5394 122.6546 54.1404 33.5423 174.7933 41 N 5.0266 8.5942 118.9626 51.3593 39.1229 174.6059 42 V 4.5079 7.8694 113.6660 59.5133 36.0264 174.2209 43 K 4.2058 8.4158 122.4161 56.6313 32.9926 176.9684 44 G 3.9588 8.7301 111.4592 44.3714 0.0000 170.9635 45 P 4.6789 0.0000 0.0000 61.6269 32.6475 175.2142 46 V 4.4556 7.6656 116.0629 60.9073 34.0865 172.9628 47 R 4.7380 9.7420 120.0960 53.7337 33.6343 175.0225 48 E 4.3646 8.4567 117.8069 57.5026 30.2227 176.9070 49 G 4.0816 8.0287 107.8623 45.5071 0.0000 174.0237 50 D 4.5474 8.0384 120.0781 54.8046 41.9272 175.6976 51 I 4.8572 8.2162 122.1540 59.6688 40.1245 174.8970 52 L 4.8194 8.8565 125.1703 53.5121 46.4595 175.1980 53 T 4.4604 8.5565 113.0733 61.2031 70.3139 174.6599 54 L 4.5954 8.4999 124.2404 52.9491 41.9800 176.6838 55 L 4.1523 8.2744 123.0948 57.3566 42.2584 178.7238 56 E 4.0765 8.1631 116.9717 57.8004 29.7168 175.7067 57 S 3.7189 7.0849 112.6839 57.5463 62.2116 170.4023 58 E 4.2170 7.5298 125.3361 56.3615 30.2910 175.7122 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 8.30 4.30 0.00 2.13 2.13 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 2.46 2.48 0.00 2 D 8.45 4.23 0.00 2.84 2.86 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 0.00 0.00 0.00 3 T 8.14 4.14 4.14 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 0.99 0.00 0.00 4 Q 7.31 4.44 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.58 0.00 0.00 0.00 0.00 0.00 2.02 2.38 0.00 5 V 7.24 4.36 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 0.94 0.00 0.00 0.41 0.00 0.00 6 K 8.51 3.97 0.00 1.88 1.74 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.47 7.81 7 L 8.18 3.44 0.00 1.75 1.84 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 8 A 6.61 4.93 1.12 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 0.00 0.00 9 V 7.03 4.75 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 0.99 0.00 0.00 0.97 0.00 0.00 10 V 8.11 3.73 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 0.96 0.00 0.00 0.89 0.00 0.00 11 V 8.09 3.53 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 0.76 0.00 0.00 0.89 0.00 0.00 12 K 7.87 4.14 0.00 1.75 1.55 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 13 V 8.14 3.67 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 0.69 0.00 0.00 0.96 0.00 0.00 14 M 8.39 4.16 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 15 G 7.86 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 0.00 0.00 0.00 16 R 8.89 4.42 0.00 2.00 2.12 0.00 3.20 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.00 *17 T 7.39 4.38 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 1.21 0.00 0.00 18 G 9.36 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 0.00 0.00 0.00 *19 S 9.11 4.48 0.00 3.79 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 *20 R 7.48 4.50 0.00 1.77 1.71 0.00 3.21 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 21 G 9.35 4.14 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 0.00 0.00 0.00 22 Q 8.14 3.42 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 23 V 7.64 3.86 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 1.00 0.00 0.00 0.93 0.00 0.00 24 T 8.50 4.56 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 1.21 0.00 0.00 25 Q 7.84 4.10 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 26 V 7.74 4.43 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 0.75 0.00 0.00 0.94 0.00 0.00 27 R 8.02 4.87 0.00 1.57 1.79 0.00 3.05 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 28 V 8.47 4.40 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 0.75 0.00 0.00 0.63 0.00 0.00 29 K 7.93 4.69 0.00 1.88 1.56 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.54 7.81 30 F 8.05 4.35 0.00 3.17 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 L 8.95 3.99 0.00 1.74 1.73 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.30 4.93 0.00 2.81 2.54 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 0.00 0.00 0.00 0.00 33 D 8.62 4.40 0.00 2.79 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 34 Q 8.03 4.27 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 35 N 8.73 4.18 0.00 2.88 2.96 0.00 0.00 6.65 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 36 R 8.03 4.58 0.00 1.98 2.00 0.00 3.25 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 37 L 8.59 5.16 0.00 1.56 1.56 0.92 0.80 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 38 I 8.33 4.86 1.91 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 1.00 0.00 0.00 39 M 8.50 4.95 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 40 R 8.54 4.82 0.00 1.70 1.85 0.00 3.29 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 41 N 8.59 5.03 0.00 2.81 2.80 0.00 0.00 5.84 7.68 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 42 V 7.87 4.51 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 0.71 0.00 0.00 0.92 0.00 0.00 43 K 8.42 4.21 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 44 G 8.73 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 0.00 0.00 0.00 45 P 0.00 4.68 0.00 2.18 2.30 0.00 3.39 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 46 V 7.67 4.46 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 0.67 0.00 0.00 0.97 0.00 0.00 47 R 9.74 4.74 0.00 1.74 1.81 0.00 3.16 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 48 E 8.46 4.36 0.00 2.13 1.94 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 2.26 2.29 0.00 49 G 8.03 4.08 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 0.00 0.00 0.00 50 D 8.04 4.55 0.00 2.72 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 51 I 8.22 4.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.95 0.00 0.00 52 L 8.86 4.82 0.00 1.52 1.49 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.56 4.46 4.29 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 1.25 0.00 0.00 54 L 8.50 4.60 0.00 1.79 1.74 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.27 4.15 0.00 1.64 1.71 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.16 4.08 0.00 1.96 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 2.27 2.29 0.00 57 S 7.08 3.72 0.00 4.32 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 58 E 7.53 4.22 0.00 2.04 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 0.00 2.24 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.