NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5632 8.3649 120.1937 53.5711 42.3152 174.7751 7 E 3.9557 8.8058 126.7956 55.1078 30.5053 174.6079 8 S 5.4066 9.1560 119.9547 56.6781 67.4230 172.6174 9 F 5.2977 9.4938 118.9563 56.0632 44.0158 173.3319 10 L 5.0284 9.1645 121.6608 53.3027 44.2952 174.7371 11 C 5.3726 9.4500 122.2536 55.5689 37.0923 172.5401 12 Y 4.9295 9.5423 123.4740 57.0065 38.5795 175.3141 13 Q 5.1234 9.2093 123.6816 53.2209 31.9728 175.3501 14 P 4.6122 0.0000 0.0000 64.9355 31.4606 177.2755 15 D 5.0877 8.1479 115.4294 53.0987 41.3774 174.8825 16 Q 4.1651 7.5628 117.5219 55.0893 32.7185 173.1794 17 V 4.6057 8.1951 120.0164 61.2092 34.1200 173.3825 18 C 5.4945 9.3423 125.4797 55.1515 41.9896 172.9496 19 A 4.9444 9.1048 126.5540 51.2879 20.1253 176.0259 20 F 4.9585 9.2724 119.9559 55.6000 42.9792 174.0886 21 I 5.0374 8.6804 124.4450 59.8564 39.4775 174.0909 22 C 5.8542 9.6296 124.5067 55.2462 45.3845 174.0956 23 R 4.4412 9.1958 119.8303 55.1835 33.0837 176.2984 24 G 4.0422 9.8162 111.3116 45.7573 0.0000 171.8849 25 A 4.6797 7.6081 120.2519 50.8870 22.2976 175.4841 26 A 4.5820 8.0863 120.6808 49.4161 22.2887 174.4380 27 P 3.7872 0.0000 0.0000 62.4891 31.8680 177.0273 28 L 4.2353 10.0520 122.8174 53.6998 42.5513 176.4261 29 P 4.2382 0.0000 0.0000 65.7394 31.2888 178.7124 30 S 4.3521 7.9680 110.5966 59.9521 62.9550 174.3837 31 E 4.3258 8.1331 120.1340 56.5243 30.1859 176.9015 32 G 3.8282 7.7313 104.4825 44.0489 0.0000 174.0038 33 E 4.3440 8.5732 121.5128 56.2919 29.9309 175.0115 34 C 5.4217 8.7288 122.3274 55.2918 41.7921 173.1400 35 N 5.3421 9.4685 121.8692 50.5147 41.2685 172.5108 36 P 4.3050 0.0000 0.0000 63.4690 32.0207 175.3588 37 H 4.6002 8.2804 121.6111 54.6108 33.2346 171.9620 38 P 4.3563 0.0000 0.0000 62.4768 31.9434 175.8738 39 T 3.8546 8.1097 115.1368 61.7596 68.2533 174.8298 40 A 4.3752 7.8535 129.6379 50.5930 21.1753 176.5363 41 P 4.1489 0.0000 0.0000 65.5475 31.4320 179.1763 42 W 4.2298 8.2024 114.7199 59.5353 27.8805 178.1411 43 A 3.1888 6.5374 121.2541 54.3626 17.5126 179.6354 44 R 3.6796 7.2863 113.4236 59.3922 29.6181 178.4894 45 E 4.1414 8.2657 118.9467 58.9021 29.5627 179.0788 46 G 3.9565 8.0754 104.9250 45.3253 0.0000 174.6593 47 A 4.3178 7.7979 125.5000 50.8865 16.5922 176.7722 48 V 3.8818 7.4841 113.5055 60.6053 33.5135 175.7427 49 E 4.5690 7.6222 120.4641 53.6917 30.9162 175.7306 50 W 4.6414 8.8011 127.4215 57.0594 30.0790 176.0998 51 V 4.7310 9.1636 116.5677 58.6943 35.4582 173.4927 52 P 4.8252 0.0000 0.0000 63.4536 32.0373 176.3712 53 Y 4.4286 8.8783 120.6818 59.4130 41.8672 175.7555 *55 T 4.5207 7.9078 107.8828 61.5678 71.8535 173.2769 56 G 4.4258 7.9466 112.3970 45.5102 0.0000 174.6899 57 Q 5.4042 9.6926 122.6166 54.9872 32.1233 171.7939 58 C 5.8786 9.4527 117.3604 55.3932 46.0470 173.0708 59 R 4.9673 8.7028 117.8826 54.7941 31.7686 174.6329 60 T 5.0212 7.7914 114.1750 60.9012 70.8691 172.3972 61 T 4.6228 7.7945 119.0392 61.2497 70.8493 172.7285 62 C 5.7693 8.8263 123.5047 55.1365 42.8490 173.2775 63 I 4.6188 8.0607 114.2205 58.0481 40.4819 173.2643 64 P 4.7389 0.0000 0.0000 62.0490 32.3351 175.4453 65 Y 4.1310 8.2311 118.5413 58.3576 38.4219 177.0314 66 V 3.9805 8.3549 116.1959 61.5163 32.2483 175.4946 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 6 D 8.36 4.56 0.00 2.68 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 7 E 8.81 3.96 0.00 2.31 1.98 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 2.44 2.39 0.00 8 S 9.16 5.41 0.00 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.49 5.30 0.00 2.95 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 10 L 9.16 5.03 0.00 1.56 1.10 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 11 C 9.45 5.37 0.00 3.11 3.31 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 12 Y 9.54 4.93 0.00 3.15 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 13 Q 9.21 5.12 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 14 P 0.00 4.61 0.00 2.11 2.17 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 15 D 8.15 5.09 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.56 4.17 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 17 V 8.20 4.61 1.78 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 0.74 0.00 0.00 0.60 0.00 0.00 18 C 9.34 5.49 0.00 3.04 2.89 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 19 A 9.10 4.94 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 20 F 9.27 4.96 0.00 2.98 2.90 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 0.00 0.00 0.00 0.00 21 I 8.68 5.04 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.90 0.00 0.00 22 C 9.63 5.85 0.00 3.01 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 23 R 9.20 4.44 0.00 1.48 1.69 0.00 2.21 0.00 0.00 2.82 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 24 G 9.82 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 25 A 7.61 4.68 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 26 A 8.09 4.58 1.03 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 27 P 0.00 3.79 0.00 1.41 0.63 0.00 2.20 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.14 0.00 28 L 10.05 4.24 0.00 1.67 1.52 0.66 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.24 0.00 2.15 2.09 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 30 S 7.97 4.35 0.00 3.99 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 31 E 8.13 4.33 0.00 1.78 1.98 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 2.38 1.86 0.00 32 G 7.73 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 0.00 0.00 0.00 33 E 8.57 4.34 0.00 2.28 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 0.00 2.40 2.51 0.00 34 C 8.73 5.42 0.00 2.81 3.02 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 35 N 9.47 5.34 0.00 2.90 2.85 0.00 0.00 6.57 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.31 0.00 1.88 1.79 0.00 3.80 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 2.07 2.18 0.00 37 H 8.28 4.60 0.00 3.37 3.12 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.36 0.00 2.02 1.91 0.00 3.38 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 39 T 8.11 3.85 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 1.08 0.00 0.00 40 A 7.85 4.38 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 41 P 0.00 4.15 0.00 2.21 2.13 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 42 W 8.20 4.23 0.00 3.55 3.31 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 43 A 6.54 3.19 0.40 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 44 R 7.29 3.68 0.00 1.91 1.93 0.00 3.03 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 45 E 8.27 4.14 0.00 2.13 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 2.55 2.51 0.00 46 G 8.08 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 47 A 7.80 4.32 0.99 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 0.00 0.00 48 V 7.48 3.88 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 0.69 0.00 0.00 0.91 0.00 0.00 49 E 7.62 4.57 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 50 W 8.80 4.64 0.00 3.22 3.25 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 51 V 9.16 4.73 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 1.16 0.00 0.00 52 P 0.00 4.83 0.00 1.99 2.04 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 53 Y 8.88 4.43 0.00 3.16 2.92 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 0.00 0.00 0.00 0.00 *55 T 7.91 4.52 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 1.22 0.00 0.00 56 G 7.95 4.43 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 0.00 57 Q 9.69 5.40 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.66 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 58 C 9.45 5.88 0.00 2.73 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 59 R 8.70 4.97 0.00 1.27 1.13 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.93 0.00 60 T 7.79 5.02 3.19 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 0.96 0.00 0.00 61 T 7.79 4.62 4.13 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 0.00 0.00 0.00 1.25 0.00 0.00 62 C 8.83 5.77 0.00 2.79 2.92 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 0.00 0.00 0.00 0.00 63 I 8.06 4.62 1.31 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.55 0.23 0.00 0.00 64 P 0.00 4.74 0.00 2.03 2.02 0.00 3.16 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 65 Y 8.23 4.13 0.00 2.91 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 66 V 8.35 3.98 2.02 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 0.65 0.00 0.00 0.82 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.