NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3535 8.3049 120.3404 55.2295 32.9147 177.1730 2 I 3.9707 8.7588 112.5159 58.6543 39.0716 173.3947 3 K 4.3663 9.0422 127.1236 53.6250 33.9305 173.5051 4 P 4.3413 0.0000 0.0000 62.5262 31.9057 176.0148 5 L 4.5590 8.4127 121.9467 54.1798 44.2551 176.2462 6 G 3.8639 8.2487 111.1289 47.1898 0.0000 174.6734 7 D 4.8426 8.4029 118.4561 54.5241 40.5245 174.5182 8 R 5.2593 7.6355 116.8543 54.6945 35.5573 175.6973 9 V 4.8943 8.9011 112.6201 59.9883 36.8157 174.5587 10 V 4.8535 8.8513 122.0107 61.3063 34.1369 174.8066 11 V 4.9784 8.5622 119.9205 59.3904 35.9548 174.4905 12 K 4.5101 8.7949 126.3995 55.5809 33.1738 176.5205 13 R 4.5831 8.1044 126.9509 57.0696 30.6916 175.5450 14 I 4.2454 8.1193 119.5588 62.1099 39.3484 174.6196 *34 P 4.1873 0.0000 0.0000 62.3198 32.4507 175.8388 35 Q 4.4143 8.3494 122.1859 53.8084 31.9308 174.5791 36 K 5.1057 8.3022 120.8962 54.8814 35.3255 175.4028 37 G 4.4836 9.1047 109.9245 45.0473 0.0000 171.0719 38 K 5.0956 8.8556 122.1321 54.0929 34.5367 175.5667 39 V 4.2763 8.9964 129.0861 63.2470 31.9582 176.0342 40 I 4.5367 8.6273 120.0799 60.7336 39.6599 175.5385 41 A 4.6725 7.6283 122.8924 51.1608 22.2474 175.5705 42 V 4.5355 8.4723 115.3338 59.5792 34.9195 176.5744 43 G 4.0974 8.7678 110.8113 46.0288 0.0000 173.3422 44 T 4.3100 8.6844 109.2748 61.5150 69.6049 176.0530 45 G 4.2766 8.1977 107.4759 46.0450 0.0000 173.0990 46 R 4.1001 8.1523 118.5943 56.2380 31.3955 174.9658 47 V 4.7223 8.2314 124.7526 61.3795 33.1743 175.2027 48 L 4.6199 9.1830 128.1575 53.3858 43.5272 177.6485 49 E 4.0915 8.9770 119.7400 58.2863 29.4117 177.5071 50 N 4.8202 7.9844 115.6283 52.2552 37.5745 176.3596 51 G 4.0161 8.4788 107.9213 46.5464 0.0000 174.8410 52 Q 4.1705 7.8429 119.4053 55.8640 30.0587 175.1782 53 R 4.7924 8.4349 123.4611 54.6581 31.9438 175.4526 54 V 4.0148 8.8023 128.3572 61.3405 32.2673 173.8240 55 P 4.7023 0.0000 0.0000 62.4254 32.0282 176.5798 56 L 4.5186 8.2733 120.5624 54.4338 42.1331 177.1689 57 E 4.2609 8.9804 121.0794 56.8499 29.9903 176.5626 58 V 4.5878 7.4836 110.4200 59.9232 34.6230 174.1401 59 K 4.7068 9.5506 121.1996 54.4376 35.5158 175.4021 60 E 4.2175 8.4042 118.2297 57.7107 29.7976 176.6842 61 G 4.1557 9.2844 110.8952 45.5317 0.0000 174.1645 62 D 4.5154 7.6217 118.9385 54.8516 42.3111 175.9227 63 I 4.8453 8.3700 122.4412 60.0731 39.1795 175.2253 64 V 4.9549 8.7386 120.5298 59.6222 35.1538 174.8264 65 V 5.0501 8.7916 122.9019 61.2445 33.7610 174.5523 66 F 5.5891 9.2104 121.6975 53.3111 42.0963 173.8049 67 A 4.2029 8.8575 121.2410 52.2246 18.9500 177.3623 68 K 3.6845 8.6064 123.4880 57.9039 32.6466 175.9904 69 Y 3.8722 8.3485 119.5942 58.6890 35.8390 170.4072 70 G 3.9250 8.2789 108.9577 45.5343 0.0000 174.8241 71 G 3.9076 8.5773 108.7176 45.0833 0.0000 172.6608 72 T 4.6184 8.3710 115.2328 61.5491 70.5847 174.3220 73 E 4.6704 8.8552 126.7725 56.2271 30.6148 176.1990 74 I 4.6257 8.9448 124.2729 59.2815 41.5745 173.1014 75 E 5.1940 8.9676 130.1453 54.8381 31.5433 175.1382 76 I 4.4355 9.2507 127.9311 60.5950 40.7171 174.8133 77 D 4.3345 9.4588 126.9923 56.1120 37.4993 173.8016 78 G 4.0279 7.9813 101.6595 46.0841 0.0000 171.3490 79 E 4.4897 7.8514 118.5102 54.2259 31.7135 174.7031 80 E 4.7781 8.0892 121.8400 55.0446 31.7204 174.6005 81 Y 4.9821 8.8178 121.6220 55.9946 42.8927 174.7800 82 V 4.7867 8.8150 119.3759 61.5399 35.1116 173.9769 83 I 4.7194 9.0902 129.4080 60.3161 38.4673 174.8652 84 L 5.1315 8.6052 126.8909 52.7533 45.8034 176.0940 85 S 4.9591 8.4011 115.7718 56.5435 65.0509 174.6502 86 E 3.6016 8.9469 124.3929 59.6385 29.3665 179.2678 87 R 4.2006 7.9434 112.7955 57.9374 29.9969 176.5858 88 D 4.6068 8.7921 119.1551 54.6287 41.5684 175.9340 89 L 4.3679 7.5394 120.2304 54.0825 41.5095 176.7520 90 L 4.3005 8.9032 124.8018 57.4010 42.0669 177.1508 91 A 4.6229 7.7854 117.6959 51.0926 23.1539 174.2969 92 V 4.7059 8.2277 118.7586 61.2780 33.4512 174.8161 93 L 4.6243 9.1457 129.4356 53.5837 42.4999 176.9539 94 Q 4.0692 8.3990 121.3115 56.4753 28.5578 174.4624 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 4.35 0.00 1.90 1.65 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 2 I 8.76 3.97 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.84 0.00 0.00 3 K 9.04 4.37 0.00 1.64 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 4 P 0.00 4.34 0.00 2.16 1.93 0.00 3.68 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 2.07 2.05 0.00 5 L 8.41 4.56 0.00 1.68 1.56 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.25 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 7 D 8.40 4.84 0.00 2.82 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 8 R 7.64 5.26 0.00 1.95 1.73 0.00 3.10 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 9 V 8.90 4.89 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 0.91 0.00 0.00 10 V 8.85 4.85 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 0.97 0.00 0.00 0.86 0.00 0.00 11 V 8.56 4.98 2.24 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 0.54 0.00 0.00 0.79 0.00 0.00 12 K 8.79 4.51 0.00 2.12 1.77 0.00 1.12 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.38 7.81 13 R 8.10 4.58 0.00 1.99 1.85 0.00 3.28 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 1.68 1.76 0.00 14 I 8.12 4.25 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.91 0.00 0.00 *34 P 0.00 4.19 0.00 1.84 1.91 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 35 Q 8.35 4.41 0.00 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 36 K 8.30 5.11 0.00 1.66 1.69 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.33 7.81 37 G 9.10 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 0.00 0.00 0.00 0.00 38 K 8.86 5.10 0.00 1.86 1.71 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.52 7.81 39 V 9.00 4.28 2.23 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 0.92 0.00 0.00 0.93 0.00 0.00 40 I 8.63 4.54 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 1.06 0.00 0.00 41 A 7.63 4.67 1.16 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 0.00 0.00 0.00 42 V 8.47 4.54 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 0.76 0.00 0.00 0.92 0.00 0.00 43 G 8.77 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.68 4.31 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 45 G 8.20 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 0.00 0.00 0.00 0.00 46 R 8.15 4.10 0.00 2.00 1.80 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 47 V 8.23 4.72 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 0.86 0.00 0.00 0.93 0.00 0.00 48 L 9.18 4.62 0.00 1.85 1.55 0.92 0.79 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 49 E 8.98 4.09 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 2.32 2.25 0.00 50 N 7.98 4.82 0.00 2.80 2.86 0.00 0.00 6.13 7.00 0.00 0.00 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 G 8.48 4.02 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 0.00 0.00 0.00 52 Q 7.84 4.17 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 53 R 8.43 4.79 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 54 V 8.80 4.01 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 0.88 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.70 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 56 L 8.27 4.52 0.00 1.63 1.59 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.98 4.26 0.00 2.05 1.96 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 2.29 2.27 0.00 58 V 7.48 4.59 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 0.83 0.00 0.00 0.92 0.00 0.00 59 K 9.55 4.71 0.00 1.81 1.89 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.36 7.81 60 E 8.40 4.22 0.00 1.98 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 2.21 2.30 0.00 61 G 9.28 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 0.00 0.00 0.00 0.00 62 D 7.62 4.52 0.00 2.73 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 63 I 8.37 4.85 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.94 0.00 0.00 64 V 8.74 4.95 2.18 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 0.70 0.00 0.00 1.04 0.00 0.00 65 V 8.79 5.05 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 1.04 0.00 0.00 0.94 0.00 0.00 66 F 9.21 5.59 0.00 3.19 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 67 A 8.86 4.20 1.34 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 68 K 8.61 3.68 0.00 1.49 1.35 0.00 1.55 0.00 0.00 0.84 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.95 7.81 69 Y 8.35 3.87 0.00 3.20 2.96 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 70 G 8.28 3.93 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 0.00 0.00 0.00 71 G 8.58 3.91 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 0.00 0.00 0.00 72 T 8.37 4.62 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 1.23 0.00 0.00 73 E 8.86 4.67 0.00 1.90 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 2.39 2.32 0.00 74 I 8.94 4.63 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.42 1.01 0.00 0.00 75 E 8.97 5.19 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 2.25 2.45 0.00 76 I 9.25 4.44 2.04 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 1.34 0.96 0.93 0.00 0.00 77 D 9.46 4.33 0.00 2.88 2.74 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 0.00 0.00 0.00 78 G 7.98 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 79 E 7.85 4.49 0.00 2.59 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 2.60 2.51 0.00 80 E 8.09 4.78 0.00 1.75 1.77 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 2.26 2.24 0.00 81 Y 8.82 4.98 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 82 V 8.81 4.79 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 0.88 0.00 0.00 1.04 0.00 0.00 83 I 9.09 4.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.88 0.00 0.00 84 L 8.61 5.13 0.00 1.37 1.36 -0.25 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.40 4.96 0.00 3.99 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 86 E 8.95 3.60 0.00 1.99 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 87 R 7.94 4.20 0.00 1.97 2.05 0.00 3.08 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 88 D 8.79 4.61 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.54 4.37 0.00 1.77 1.67 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.90 4.30 0.00 1.70 1.74 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.79 4.62 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.23 4.71 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 0.91 0.00 0.00 0.95 0.00 0.00 93 L 9.15 4.62 0.00 1.54 1.60 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.40 4.07 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.