NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7908 8.3393 109.7352 44.7313 0.0000 173.7563 *4 P 4.1109 0.0000 0.0000 61.8603 32.3591 175.8760 5 V 4.5728 7.7974 113.1717 59.6235 36.1330 173.9050 6 E 4.3508 8.7766 123.1587 54.3783 32.3442 174.5051 7 F 5.4778 8.3390 125.1228 56.2959 40.3820 174.7713 8 N 5.1084 8.6550 121.6762 51.6631 40.4937 174.9785 9 T 4.5150 8.6760 110.8365 61.4825 70.2665 173.9484 10 L 4.9635 7.5177 120.6720 53.2529 46.3175 175.9016 11 I 4.1472 8.7191 123.4475 60.4051 38.3580 175.2948 12 V 4.7003 8.4365 128.8587 61.3207 32.4701 174.8351 13 T 4.3314 8.6779 120.0089 59.7128 70.1026 176.0520 14 K 4.2520 7.9927 129.0496 56.1013 32.0313 178.8576 15 G 3.8627 8.2583 105.1555 46.0438 0.0000 174.6155 16 K 4.4689 7.4973 116.8564 56.2787 32.8120 176.3801 17 E 4.5707 7.8969 117.2286 56.5339 31.0738 175.9497 18 V 4.6335 8.8030 121.2674 61.0947 34.7646 174.3297 19 R 4.6069 8.8321 124.7619 55.3134 30.1186 176.2679 20 I 4.2595 7.9790 115.6568 60.9545 39.4344 175.2921 21 D 4.2706 7.0795 122.1294 53.6070 42.7101 174.8213 22 E 4.0639 8.5685 113.5698 58.8025 30.2871 177.3453 23 N 4.9734 7.8660 114.0501 51.9635 41.2570 173.5545 24 I 4.6763 7.1850 113.7518 59.1562 40.1346 174.8166 25 F 5.3210 8.8775 124.2001 55.5201 43.2286 173.8642 26 T 5.0839 9.0766 109.2738 60.0297 71.9117 172.7858 27 L 5.0483 9.4992 126.5381 53.2106 45.5959 174.2987 28 E 5.0601 8.9649 126.6398 54.5602 31.2641 174.9006 29 K 4.7914 10.0069 126.4704 54.5236 35.9415 174.6791 30 D 4.6731 8.6302 121.9795 54.7316 42.0579 177.3165 31 G 3.6278 8.7905 110.1997 45.3983 0.0000 172.8795 32 Y 3.9560 7.3803 116.6197 57.1496 38.0741 175.0903 33 R 4.9948 8.6971 123.2882 54.7089 32.8134 176.1699 34 V 4.7141 9.3519 122.5932 61.6176 33.7880 173.9667 35 Y 5.0446 8.6851 124.9580 55.5699 40.8664 175.3916 36 P 4.3761 0.0000 0.0000 62.5921 31.8075 175.6725 *38 E 4.2507 8.5296 118.2810 56.2367 31.0916 175.9002 39 I 4.5573 7.5000 118.8338 59.7436 38.5555 173.9738 40 P 5.0961 0.0000 0.0000 62.3922 32.4828 175.3014 *42 D 4.6261 8.4299 119.2422 54.4103 42.7378 174.8954 43 V 5.0107 8.6863 115.3813 59.6316 35.2319 174.9449 44 R 4.8138 9.0076 120.1852 54.7491 32.7779 176.2463 45 K 4.5938 8.7262 120.5393 58.6923 31.9208 176.8075 46 T 4.8096 7.4459 113.0807 61.0762 72.3732 174.7764 47 K 4.0421 8.5329 122.1312 59.5760 31.6513 178.1129 48 F 4.0871 6.5337 118.1953 59.3219 39.0800 174.8779 *50 E 4.0628 7.7872 123.8397 55.4320 31.5435 175.6395 51 K 3.7416 8.3967 123.2335 57.3483 32.6466 177.1108 52 S 4.1817 9.6472 120.6626 57.5986 63.2934 173.6144 53 G 4.4065 6.7188 104.8827 46.7794 0.0000 170.8148 54 T 5.1622 8.0727 115.5080 61.8891 71.9876 173.6583 55 A 5.2751 8.2252 124.6928 51.0594 23.6984 174.6499 56 E 4.8286 9.1165 117.6655 54.4960 33.5568 175.8294 57 V 4.0622 8.6809 125.3904 63.5781 31.5107 175.4477 58 Q 4.4923 9.3700 127.1468 57.1539 30.2075 176.0305 59 K 4.6873 7.7381 118.3185 54.8443 36.0431 174.6614 60 L 5.1894 8.3795 127.1080 53.4367 45.2993 175.2083 61 Q 4.6535 8.9963 122.4282 54.3023 32.4710 173.6862 62 W 5.7105 8.3945 120.1368 55.3586 31.9318 175.0130 63 E 4.6546 9.8998 121.0643 57.0471 33.3250 175.5099 64 E 3.6998 9.7372 124.1011 58.5435 26.7159 174.9093 65 G 3.3743 7.9588 103.3698 45.8998 0.0000 170.6804 66 R 5.0386 7.6278 117.3644 54.3647 33.8614 174.4888 67 T 5.3387 9.0180 115.0186 60.5011 71.1917 172.3294 68 I 5.1198 8.8203 128.1742 59.2256 41.0775 174.0027 69 I 4.9929 9.3517 123.1065 59.4528 41.0758 174.6688 70 T 5.1039 8.9307 120.6849 62.1442 71.0579 172.7550 71 Y 5.2400 8.5838 124.6402 54.9268 42.1278 174.5402 72 K 4.8364 8.9209 122.3716 54.5762 34.0579 175.0338 73 L 4.8837 9.4432 131.9102 55.6168 42.0110 176.6064 74 T 4.5926 8.7780 117.1516 61.8944 69.9357 174.6951 75 S 4.7034 7.4856 115.0926 58.0820 65.5100 175.2377 76 L 4.9704 8.6484 120.7160 54.9854 44.0159 174.6619 77 H 4.1858 8.8839 123.5265 57.3297 29.1591 178.0684 78 S 4.3614 5.8100 109.7169 57.2426 61.8185 175.4736 79 V 3.7679 7.2863 118.9096 60.8120 30.7413 176.5028 80 N 4.5497 8.4301 124.2371 53.6853 39.6972 174.7981 81 L 4.3770 8.1548 119.8741 54.8966 42.5037 176.7503 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 G 8.34 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 *4 P 0.00 4.11 0.00 2.12 2.05 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 5 V 7.80 4.57 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 0.58 0.00 0.00 0.56 0.00 0.00 6 E 8.78 4.35 0.00 1.85 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 7 F 8.34 5.48 0.00 2.96 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 8 N 8.65 5.11 0.00 1.48 2.49 0.00 0.00 6.93 7.13 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 9 T 8.68 4.52 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 10 L 7.52 4.96 0.00 1.47 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.72 4.15 1.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.37 0.41 0.00 0.00 12 V 8.44 4.70 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 0.81 0.00 0.00 0.92 0.00 0.00 13 T 8.68 4.33 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 14 K 7.99 4.25 0.00 1.83 1.87 0.00 2.07 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.35 7.81 15 G 8.26 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 0.00 0.00 0.00 16 K 7.50 4.47 0.00 2.03 1.92 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 E 7.90 4.57 0.00 2.10 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 2.28 2.01 0.00 18 V 8.80 4.63 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 0.84 0.00 0.00 0.97 0.00 0.00 19 R 8.83 4.61 0.00 1.52 1.56 0.00 3.05 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 20 I 7.98 4.26 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.85 0.00 0.00 21 D 7.08 4.27 0.00 2.46 2.28 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 22 E 8.57 4.06 0.00 2.08 1.99 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 2.22 2.20 0.00 23 N 7.87 4.97 0.00 2.62 2.98 0.00 0.00 6.70 7.32 0.00 0.00 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 I 7.19 4.68 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 0.82 0.00 0.00 25 F 8.88 5.32 0.00 1.72 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 26 T 9.08 5.08 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 1.17 0.00 0.00 27 L 9.50 5.05 0.00 1.90 1.57 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.96 5.06 0.00 2.04 1.85 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 2.23 2.36 0.00 29 K 10.01 4.79 0.00 1.85 1.75 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.73 7.81 30 D 8.63 4.67 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.38 3.96 0.00 2.20 1.43 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 33 R 8.70 4.99 0.00 1.96 1.75 0.00 3.21 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 34 V 9.35 4.71 2.77 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 1.10 0.00 0.00 1.48 0.00 0.00 35 Y 8.69 5.04 0.00 2.93 2.84 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 36 P 0.00 4.38 0.00 2.09 2.06 0.00 3.87 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 2.06 2.08 0.00 *38 E 8.53 4.25 0.00 1.94 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 2.19 2.41 0.00 39 I 7.50 4.56 1.89 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 1.41 0.72 0.92 0.00 0.00 40 P 0.00 5.10 0.00 2.08 2.21 0.00 3.41 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 *42 D 8.43 4.63 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 5.01 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 0.49 0.00 0.00 0.95 0.00 0.00 44 R 9.01 4.81 0.00 1.78 1.94 0.00 2.74 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 45 K 8.73 4.59 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.49 7.81 46 T 7.45 4.81 4.46 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 0.00 0.00 0.00 1.42 0.00 0.00 47 K 8.53 4.04 0.00 1.14 1.53 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.22 7.81 48 F 6.53 4.09 0.00 3.25 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 *50 E 7.79 4.06 0.00 1.98 1.92 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 2.24 2.33 0.00 51 K 8.40 3.74 0.00 1.70 1.41 0.00 1.72 0.00 0.00 1.37 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 52 S 9.65 4.18 0.00 3.85 3.90 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 53 G 6.72 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 5.16 4.27 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 1.23 0.00 0.00 55 A 8.23 5.28 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 56 E 9.12 4.83 0.00 1.94 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 0.00 2.34 2.27 0.00 57 V 8.68 4.06 2.13 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 0.83 0.00 0.00 0.88 0.00 0.00 58 Q 9.37 4.49 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 59 K 7.74 4.69 0.00 1.78 1.58 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 L 8.38 5.19 0.00 1.67 1.42 1.19 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.00 4.65 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 62 W 8.39 5.71 0.00 3.26 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 63 E 9.90 4.65 0.00 1.99 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 2.24 2.30 0.00 64 E 9.74 3.70 0.00 2.21 1.93 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 2.35 2.34 0.00 65 G 7.96 3.37 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 0.00 66 R 7.63 5.04 0.00 1.87 1.93 0.00 3.05 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 67 T 9.02 5.34 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 68 I 8.82 5.12 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 1.06 0.00 0.00 69 I 9.35 4.99 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.80 0.00 0.00 70 T 8.93 5.10 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 1.19 0.00 0.00 71 Y 8.58 5.24 0.00 3.17 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 72 K 8.92 4.84 0.00 1.86 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 73 L 9.44 4.88 0.00 2.16 1.87 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.78 4.59 4.28 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 1.39 0.00 0.00 75 S 7.49 4.70 0.00 3.89 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 76 L 8.65 4.97 0.00 1.54 1.63 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.88 4.19 0.00 3.15 3.10 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 5.81 4.36 0.00 3.98 3.82 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 0.00 0.00 0.00 0.00 79 V 7.29 3.77 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 0.74 0.00 0.00 0.94 0.00 0.00 80 N 8.43 4.55 0.00 2.69 2.78 0.00 0.00 7.01 7.78 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 81 L 8.15 4.38 0.00 1.62 1.49 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.