NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3656 0.0000 0.0000 61.7867 32.6778 175.0754 3 K 3.5944 8.6218 116.2077 56.2680 32.1385 174.9912 4 M 4.1486 9.3630 125.3048 55.4472 33.7636 175.2464 5 K 4.4045 8.3766 125.4914 55.3090 33.4875 176.7685 6 T 4.0481 8.2587 113.4219 61.5361 69.6790 173.5922 7 H 4.2138 9.3032 125.8862 55.9241 30.0136 175.9244 8 K 4.0552 8.7847 127.5457 59.6281 31.8861 179.3819 9 G 3.9232 8.0503 103.3403 47.0308 0.0000 174.3883 10 A 4.4046 7.9471 122.0594 54.1998 19.6429 178.9331 11 K 3.8890 7.6875 116.4672 59.2034 32.2607 177.1596 12 K 4.3700 7.9741 117.9030 56.5031 32.0301 177.4273 13 R 4.5425 8.2728 110.8091 57.3883 31.6232 174.6232 14 V 4.5708 7.5643 118.2436 62.0030 34.4944 173.5101 15 K 4.5396 8.5893 128.9206 55.1974 34.3637 174.5727 16 I 4.9226 8.1217 126.0524 59.3310 39.6662 175.5576 17 T 4.2324 9.0273 120.0874 60.6453 69.7858 175.1582 18 A 3.9811 8.6599 124.7112 55.1340 18.1959 178.8316 19 S 4.3976 7.6254 107.6114 58.0111 63.7307 174.8116 20 G 4.0349 8.0046 108.0408 45.2469 0.0000 174.3952 21 K 4.1218 8.0888 119.5090 56.3822 32.9759 175.6181 22 V 4.8112 8.2545 119.9112 61.4876 33.6248 174.3470 23 V 4.9980 8.6745 121.6970 59.8011 33.8342 175.1743 24 A 4.6675 8.5011 125.7163 50.2694 22.7498 176.6141 25 M 4.0635 8.2510 118.2575 54.7156 33.6816 175.3742 26 K 4.4974 8.2699 119.6520 55.1321 34.6401 176.1517 27 T 3.8457 8.3465 114.7986 61.7869 69.0026 171.2522 28 G 3.4825 8.4657 116.9056 44.9350 0.0000 175.0738 29 K 3.8323 8.0323 123.0330 57.7143 32.6858 175.4458 30 R 3.7489 8.1441 118.3883 57.6823 29.2453 176.7394 31 H 3.9704 9.4270 118.8648 58.6521 24.1607 179.0761 32 L 3.2313 7.3645 118.6976 52.0028 44.0860 176.7183 33 N 4.6765 8.0855 125.7678 54.6740 40.6778 176.0405 34 W 4.3711 8.0575 126.5429 60.4950 31.5577 174.8839 35 Q 3.8318 8.5807 112.7634 55.9932 25.8480 174.0856 36 K 4.4379 7.6122 122.6374 56.6078 30.4632 175.5305 37 S 4.0529 7.5716 119.1165 57.5673 62.2560 176.4668 38 G 5.3743 9.5865 120.2954 45.8132 0.0000 173.1395 39 K 4.0516 7.9219 120.0257 56.7288 31.6219 176.7221 40 E 3.7237 8.6994 119.5723 60.4784 29.7855 179.0494 41 I 3.4824 7.6371 110.9670 63.7970 38.7024 177.1072 42 R 3.8682 7.7474 122.6739 58.8057 30.5227 177.6323 43 Q 4.3886 7.7394 116.3835 55.1583 27.3120 177.7995 44 K 4.4566 7.6569 117.2820 54.4652 33.0868 176.4074 45 G 4.0778 7.6250 108.5058 44.6552 0.0000 171.1932 46 R 4.6246 8.4019 118.7781 56.3198 31.3311 176.8063 47 K 4.4242 9.0973 119.8186 55.0492 36.0530 175.5050 48 F 4.6531 8.5636 119.5311 57.9051 38.0077 175.2326 49 V 4.3147 8.4414 115.4945 59.9195 33.7099 175.1164 50 L 4.5473 8.1409 122.8705 54.5280 44.8631 176.3748 51 A 4.0588 8.6219 128.0880 50.3989 15.6044 176.3863 52 K 5.0366 7.1048 131.9336 55.1528 33.9731 174.1564 53 P 4.5034 0.0000 0.0000 65.3534 31.4959 177.6913 54 E 3.8861 8.2513 117.0390 59.5373 29.1664 179.2183 55 A 3.9531 7.9315 120.9975 54.8322 18.7670 178.9283 56 E 3.8619 7.6759 115.5934 60.0009 29.8187 180.1843 57 R 4.0148 9.5694 117.1695 58.8071 29.7822 179.0556 58 I 3.9192 7.5652 119.3941 63.7676 37.5304 177.7267 59 K 4.2239 7.9523 117.5237 57.1593 33.0046 176.9291 60 L 4.6805 6.8605 119.4595 53.8379 38.9326 175.8983 61 L 4.0444 7.5954 121.7857 57.7837 42.9624 179.4423 62 L 4.3075 7.8125 118.2910 57.2307 41.9964 177.2031 63 P 4.6120 0.0000 0.0000 63.1913 31.6631 177.2492 64 Y 2.9850 7.9584 118.4137 59.9500 38.2140 172.2945 *65 E 4.1515 8.6135 118.2614 57.2310 30.5285 171.9603 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 P 0.00 4.37 0.00 2.20 2.17 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 3 K 8.62 3.59 0.00 1.85 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 4 M 9.36 4.15 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 5 K 8.38 4.40 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 T 8.26 4.05 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 1.24 0.00 0.00 7 H 9.30 4.21 0.00 3.15 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.78 4.06 0.00 1.83 1.82 0.00 1.63 0.00 0.00 2.03 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.56 7.81 9 G 8.05 3.92 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 0.00 0.00 0.00 10 A 7.95 4.40 1.31 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 11 K 7.69 3.89 0.00 1.78 2.02 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.43 7.81 12 K 7.97 4.37 0.00 2.04 1.79 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 13 R 8.27 4.54 0.00 1.86 1.93 0.00 3.11 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 14 V 7.56 4.57 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 0.77 0.00 0.00 0.92 0.00 0.00 15 K 8.59 4.54 0.00 1.90 1.65 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.39 7.81 16 I 8.12 4.92 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.92 0.00 0.00 17 T 9.03 4.23 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 1.29 0.00 0.00 18 A 8.66 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.63 4.40 0.00 3.98 3.99 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 20 G 8.00 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 21 K 8.09 4.12 0.00 1.87 1.81 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.41 7.81 22 V 8.25 4.81 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 1.03 0.00 0.00 0.94 0.00 0.00 23 V 8.67 5.00 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 0.80 0.00 0.00 1.00 0.00 0.00 24 A 8.50 4.67 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 25 M 8.25 4.06 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 26 K 8.27 4.50 0.00 1.63 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.23 7.81 27 T 8.35 3.85 4.20 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 0.00 0.00 1.17 0.00 0.00 28 G 8.47 3.48 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 29 K 8.03 3.83 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.56 7.81 30 R 8.14 3.75 0.00 1.83 1.91 0.00 3.34 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 31 H 9.43 3.97 0.00 3.31 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.36 3.23 0.00 1.77 2.03 1.33 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.09 4.68 0.00 3.20 3.05 0.00 0.00 7.31 7.33 0.00 0.00 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 W 8.06 4.37 0.00 3.23 3.32 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 0.00 0.00 0.00 0.00 35 Q 8.58 3.83 0.00 1.82 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 36 K 7.61 4.44 0.00 1.50 1.57 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.33 7.81 37 S 7.57 4.05 0.00 3.96 3.73 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 38 G 9.59 5.37 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 39 K 7.92 4.05 0.00 2.00 1.97 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 40 E 8.70 3.72 0.00 1.91 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 2.14 1.92 0.00 41 I 7.64 3.48 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 1.27 0.00 0.00 42 R 7.75 3.87 0.00 1.76 2.25 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 43 Q 7.74 4.39 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 44 K 7.66 4.46 0.00 1.88 1.66 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.32 7.81 45 G 7.62 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 46 R 8.40 4.62 0.00 1.72 1.89 0.00 3.22 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 47 K 9.10 4.42 0.00 1.28 1.62 0.00 1.03 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.16 1.50 7.81 48 F 8.56 4.65 0.00 3.10 3.08 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 49 V 8.44 4.31 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 0.61 0.00 0.00 0.99 0.00 0.00 50 L 8.14 4.55 0.00 1.64 1.55 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.62 4.06 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 52 K 7.10 5.04 0.00 1.91 1.88 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.23 7.81 53 P 0.00 4.50 0.00 2.31 2.29 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 54 E 8.25 3.89 0.00 2.20 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 2.45 2.42 0.00 55 A 7.93 3.95 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.68 3.86 0.00 2.17 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 0.00 2.32 2.39 0.00 57 R 9.57 4.01 0.00 1.92 1.93 0.00 3.09 0.00 0.00 3.38 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 58 I 7.57 3.92 1.98 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 1.74 0.71 0.89 0.00 0.00 59 K 7.95 4.22 0.00 1.96 1.86 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.44 7.81 60 L 6.86 4.68 0.00 1.67 1.61 0.93 0.99 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 61 L 7.60 4.04 0.00 1.62 1.64 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.81 4.31 0.00 1.81 1.79 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.61 0.00 2.23 2.20 0.00 4.13 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 64 Y 7.96 2.99 0.00 2.97 3.04 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 *65 E 8.61 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.