NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4465 8.3049 120.3192 55.0710 34.6664 175.7489 2 K 4.4430 7.5248 128.8763 53.5063 30.5703 177.3032 3 E 3.6194 10.4189 124.5892 57.9202 29.5207 174.1787 4 G 3.8414 11.3000 104.3368 45.5654 0.0000 174.1277 5 I 4.4398 7.3644 107.2235 59.8388 37.6446 172.3740 6 H 5.0291 7.8626 117.1515 54.0680 32.4014 173.2608 7 P 4.3619 0.0000 0.0000 63.9976 31.3603 176.8484 8 K 4.2946 7.6203 120.7566 55.8415 32.2705 176.2432 9 L 4.2214 7.8862 113.9826 53.5752 41.7348 172.6786 10 V 4.6822 7.9571 122.3972 60.5215 34.3889 169.3000 11 P 4.4903 0.0000 0.0000 63.4010 32.0570 174.8938 12 A 4.6936 8.8244 123.2371 51.1729 22.2740 174.6585 13 R 4.6973 8.7394 114.3064 54.7081 33.1755 174.5501 14 I 4.7507 8.2625 119.7550 59.5942 41.1551 175.7036 15 I 4.4411 8.1882 123.2584 59.8851 40.0927 175.1459 16 C 4.7125 8.4568 128.4410 58.4347 32.6933 173.4828 17 G 4.3395 8.9415 106.7000 45.9995 0.0000 174.3500 18 C 4.8181 7.3221 114.3219 56.4395 30.3644 174.0152 19 G 3.4663 7.4227 114.6274 46.2377 0.0000 173.1134 20 N 3.6926 7.6544 117.8332 50.1942 38.4679 172.5092 21 V 4.6694 7.8984 124.7367 60.7437 32.9584 174.8790 22 I 4.0042 8.1384 127.6433 61.0875 38.8780 174.7423 23 E 4.5563 8.5062 124.0628 54.8067 31.6962 173.6207 24 T 4.4868 8.4251 124.1704 61.1221 72.6356 172.4168 25 Y 5.3229 9.6709 119.0201 55.5219 43.1532 177.1473 26 S 5.1238 7.9030 116.1549 59.5626 65.7443 177.6587 27 T 4.5839 8.6013 114.1132 60.8441 69.6568 170.5783 28 K 3.7133 8.6456 132.3222 55.2616 29.6089 174.0308 29 P 4.2310 0.0000 0.0000 64.4812 31.6826 175.6116 30 E 4.7550 7.4938 116.3778 54.6644 30.9233 175.8904 31 I 3.9967 7.8446 125.7213 59.6031 40.7174 174.4426 32 Y 4.6686 7.3677 126.9558 55.7288 37.2464 174.5762 33 V 4.1881 8.3328 126.9304 62.4349 33.0988 175.3771 34 E 4.2102 8.9889 126.6964 58.9417 29.8533 176.9235 35 V 4.7746 7.6010 116.7036 61.2787 35.5204 174.3799 36 C 4.9945 8.3047 119.1517 57.7149 30.8536 173.3709 37 S 4.5412 8.6606 116.5761 57.4849 63.0082 173.9951 38 K 5.1218 8.1003 135.0000 57.2430 32.9496 174.4603 39 C 4.4746 7.7517 119.2380 57.1839 30.0155 170.2656 40 H 3.3754 7.1722 123.5192 54.2436 31.5636 173.3115 41 P 4.0155 0.0000 0.0000 61.6449 32.5549 174.0871 42 F 4.6733 8.9177 113.1283 57.8070 39.9924 171.2151 43 Y 3.5983 9.2677 115.1255 56.6744 42.5311 172.9785 44 T 3.4101 7.4699 109.1777 60.2209 69.0407 174.1796 45 G 3.7749 8.2553 117.3168 46.7116 0.0000 171.4343 46 Q 4.4525 7.9414 116.2990 55.8229 32.0392 174.3774 47 Q 4.2633 8.2687 123.3266 57.4515 31.8937 174.4790 48 R 4.8161 7.9211 117.6766 57.5956 31.4228 174.2595 49 F 4.8487 8.6914 122.8230 56.8998 43.6658 175.1816 50 V 3.3214 7.6993 116.3628 63.5234 30.9685 176.3107 51 D 5.0530 9.5168 115.6975 53.6310 37.5834 176.4998 52 T 3.9901 7.6181 108.5503 64.0764 69.1151 174.6418 53 E 4.2464 8.0350 121.2921 55.5537 30.7626 176.9991 54 G 4.3077 8.4389 111.6787 45.1543 0.0000 172.7427 55 R 4.6411 7.5574 110.2571 56.1081 32.2748 177.1135 56 V 4.2375 8.3673 114.3088 60.5149 30.9066 175.4670 57 E 5.7838 7.9195 135.0000 58.3536 28.6645 177.1240 *58 R 4.1530 7.4846 120.7323 56.3761 30.1652 177.2702 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 4.45 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 K 7.52 4.44 0.00 1.84 1.10 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 3 E 10.42 3.62 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 2.24 2.27 0.00 4 G 11.30 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 0.00 0.00 0.00 5 I 7.36 4.44 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.93 0.00 0.00 6 H 7.86 5.03 0.00 3.15 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.36 0.00 2.06 2.12 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 7.62 4.29 0.00 1.94 2.06 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.50 7.81 9 L 7.89 4.22 0.00 1.71 2.03 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.96 4.68 2.11 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 0.70 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.49 0.00 1.91 1.98 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 12 A 8.82 4.69 1.18 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 0.00 0.00 13 R 8.74 4.70 0.00 1.82 1.93 0.00 2.66 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 14 I 8.26 4.75 1.85 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 1.21 0.52 0.90 0.00 0.00 15 I 8.19 4.44 2.01 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 1.24 0.98 0.95 0.00 0.00 16 C 8.46 4.71 0.00 2.98 3.01 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 0.00 0.00 0.00 17 G 8.94 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.32 4.82 0.00 3.04 2.91 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 0.00 0.00 0.00 19 G 7.42 3.47 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 0.00 20 N 7.65 3.69 0.00 2.83 2.90 0.00 0.00 6.27 7.71 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 21 V 7.90 4.67 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 0.92 0.00 0.00 1.10 0.00 0.00 22 I 8.14 4.00 1.86 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 1.23 0.27 0.91 0.00 0.00 23 E 8.51 4.56 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 24 T 8.43 4.49 4.40 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 1.24 0.00 0.00 25 Y 9.67 5.32 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 5.12 0.00 4.04 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 27 T 8.60 4.58 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 28 K 8.65 3.71 0.00 2.03 1.81 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.42 7.81 29 P 0.00 4.23 0.00 2.18 2.07 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 30 E 7.49 4.75 0.00 1.79 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 0.00 2.27 2.29 0.00 31 I 7.84 4.00 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.84 0.00 0.00 32 Y 7.37 4.67 0.00 2.88 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 33 V 8.33 4.19 2.22 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 0.80 0.00 0.00 0.94 0.00 0.00 34 E 8.99 4.21 0.00 2.03 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 2.41 2.38 0.00 35 V 7.60 4.77 2.09 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 0.87 0.00 0.00 0.93 0.00 0.00 36 C 8.30 4.99 0.00 3.08 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 37 S 8.66 4.54 0.00 3.89 3.86 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 38 K 8.10 5.12 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.23 7.81 39 C 7.75 4.47 0.00 3.08 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 40 H 7.17 3.38 0.00 3.05 3.00 0.00 5.75 0.00 0.00 0.00 0.00 6.81 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 4.02 0.00 1.98 1.97 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 42 F 8.92 4.67 0.00 3.14 3.03 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 43 Y 9.27 3.60 0.00 3.21 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 44 T 7.47 3.41 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 1.38 0.00 0.00 45 G 8.26 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 46 Q 7.94 4.45 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 47 Q 8.27 4.26 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 48 R 7.92 4.82 0.00 1.80 1.86 0.00 3.39 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 49 F 8.69 4.85 0.00 2.87 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 50 V 7.70 3.32 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 0.72 0.00 0.00 0.49 0.00 0.00 51 D 9.52 5.05 0.00 2.89 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 52 T 7.62 3.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 53 E 8.03 4.25 0.00 1.94 1.90 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 2.26 2.21 0.00 54 G 8.44 4.31 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 0.00 55 R 7.56 4.64 0.00 1.72 1.87 0.00 3.22 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 56 V 8.37 4.24 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 0.79 0.00 0.00 0.92 0.00 0.00 57 E 7.92 5.78 0.00 2.06 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 2.06 2.09 0.00 *58 R 7.48 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.