NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2343 8.2993 121.7876 58.8135 33.6731 175.0866 11 N 3.6872 7.1856 112.7542 47.8103 38.6731 168.9831 12 V 4.3380 8.3865 113.9951 61.4461 34.1629 176.2514 13 T 5.1805 7.8415 111.0792 59.8991 70.9744 173.4751 14 L 5.0055 8.7735 123.0549 53.4028 46.7937 175.4667 15 T 5.1758 8.3613 115.8439 62.0611 72.0046 173.6922 16 I 4.6358 9.0681 120.1847 59.0450 40.9970 174.4728 17 R 5.0565 8.5815 123.4792 54.6417 31.9287 175.3938 18 L 4.5715 8.8118 124.6868 53.6277 43.4328 175.7473 19 L 4.7172 8.3519 124.7408 53.8690 44.3048 175.2225 *21 H 4.8399 8.5325 119.7004 55.4851 30.1463 174.9494 22 G 3.6456 8.6514 108.4155 47.7870 0.0000 176.5456 23 K 4.0060 8.0284 120.3360 59.2797 32.0129 178.9916 24 E 3.9728 8.1453 118.3551 59.5410 29.5432 179.4220 25 V 3.6821 8.0612 118.2998 65.7617 31.6183 177.9145 26 G 3.9532 8.1875 105.8293 48.3288 0.0000 175.7156 27 S 4.2871 7.6219 114.9251 60.1082 63.6407 176.2468 28 I 3.8103 7.5277 123.7393 64.3160 36.8536 178.1544 29 I 3.7744 7.5482 120.5505 63.4699 37.1245 177.8304 30 G 4.1993 7.6018 103.5027 44.6056 0.0000 172.7793 31 K 4.0390 8.3379 118.1062 57.7323 32.2639 177.6350 32 K 3.7054 9.7216 121.3269 57.1600 30.0163 175.6858 33 G 4.4367 8.7778 105.6735 45.7403 0.0000 176.3679 34 E 4.0198 8.0351 120.2891 58.7759 29.5934 178.8837 35 S 4.1344 7.7891 115.6291 61.3650 63.2101 176.4202 36 V 3.7280 7.4861 120.3683 64.5079 31.2764 178.1759 37 K 4.0751 7.9030 120.3644 59.0533 32.2801 179.8661 38 K 3.9315 7.8284 120.4678 56.7322 32.6620 178.6637 *40 R 4.2847 8.0340 117.5197 55.9175 32.0357 178.0298 41 E 4.1005 8.2908 116.0298 58.6614 29.6686 177.7488 42 E 4.3873 7.9560 117.0528 57.4394 30.5175 177.4673 43 S 4.2434 8.1158 113.1219 58.5875 63.7589 175.8094 44 G 3.9540 7.7719 106.0171 45.7074 0.0000 172.8229 45 A 4.6739 7.5070 120.3703 50.0799 20.9528 177.6318 46 R 4.0764 8.7011 121.7132 56.3434 31.2563 175.2863 47 I 4.9379 8.4085 127.0331 59.5078 39.6942 174.4468 48 N 5.0487 8.9072 124.8106 51.7213 42.3457 172.8310 49 I 4.9085 8.2705 126.1334 59.0351 39.5937 175.5400 50 S 4.2911 8.7537 123.3126 58.4933 63.0734 174.6702 51 E 4.0838 8.7359 122.1837 56.2795 30.5454 175.7203 52 G 3.9077 8.7910 108.6838 46.2781 0.0000 173.7593 53 N 4.8711 8.4387 123.7618 52.6350 37.8324 174.9022 54 C 3.7199 8.0598 118.4335 60.7298 32.2493 172.1675 55 P 4.3562 0.0000 0.0000 64.4110 31.2811 174.8278 56 E 5.0543 7.9953 118.9175 54.1704 29.4693 174.9459 57 R 4.7608 8.2947 123.0256 54.0760 33.4609 174.9859 58 I 4.6872 8.6387 122.1504 59.7540 39.9705 174.6645 59 I 4.7489 8.6498 127.7133 60.0333 39.7404 174.8623 60 T 4.8441 9.3088 125.2615 61.8675 69.7052 173.3206 61 L 4.8691 8.4624 126.8452 54.2935 43.2849 176.1673 62 A 5.6836 8.6020 123.6782 50.9390 23.4424 176.1245 63 G 4.3144 9.0065 105.8799 42.4881 0.0000 170.8417 64 P 5.2636 0.0000 0.0000 63.0526 32.6964 178.1554 65 T 3.8273 8.1733 119.2060 66.6428 68.6232 175.7073 66 N 4.4616 8.2387 118.4699 56.2995 39.1202 176.6755 67 A 4.2115 7.9074 123.2457 54.6567 18.4764 179.0944 68 I 3.6529 8.0000 118.3670 64.7751 37.1702 178.0265 69 F 3.7742 8.5031 121.0056 61.4530 38.9579 177.5260 70 K 3.9421 8.3230 116.6421 59.5526 32.0155 178.8708 71 A 4.1158 7.8662 119.5344 54.9494 18.4487 179.1638 72 F 4.0874 8.4552 119.0765 61.2713 39.4855 177.5881 73 A 3.8452 7.7226 118.3638 53.1062 18.6041 179.0503 *75 I 3.8926 7.6678 122.0130 62.8336 39.2917 178.2290 76 I 3.4677 7.3140 121.0547 64.3364 36.5813 177.7401 77 D 4.3952 8.3235 117.3880 55.8371 41.1356 177.1473 78 K 4.2326 7.7176 119.5306 58.8521 32.7760 178.0731 79 L 3.9929 7.8037 117.6467 57.4090 41.5887 178.5408 80 E 4.1917 7.9498 116.1201 57.5586 30.0500 176.0742 81 E 4.0315 7.5793 124.9823 56.7079 29.6432 176.3532 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 10 K 8.30 4.23 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 11 N 7.19 3.69 0.00 3.11 2.74 0.00 0.00 6.19 6.79 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 12 V 8.39 4.34 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 0.82 0.00 0.00 0.93 0.00 0.00 13 T 7.84 5.18 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 1.22 0.00 0.00 14 L 8.77 5.01 0.00 1.55 1.56 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.36 5.18 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 1.22 0.00 0.00 16 I 9.07 4.64 1.85 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 1.21 0.72 0.89 0.00 0.00 17 R 8.58 5.06 0.00 1.70 1.89 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 18 L 8.81 4.57 0.00 1.63 1.61 1.05 0.48 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 19 L 8.35 4.72 0.00 1.62 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.53 4.84 0.00 3.32 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.03 4.01 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 24 E 8.15 3.97 0.00 2.14 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 2.42 2.42 0.00 25 V 8.06 3.68 2.21 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 1.00 0.00 0.00 0.99 0.00 0.00 26 G 8.19 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.29 0.00 4.06 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 28 I 7.53 3.81 1.98 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 1.47 1.07 0.88 0.00 0.00 29 I 7.55 3.77 1.99 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 1.45 0.76 0.90 0.00 0.00 30 G 7.60 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 0.00 0.00 0.00 0.00 31 K 8.34 4.04 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.46 7.81 32 K 9.72 3.71 0.00 1.88 1.87 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.41 7.81 33 G 8.78 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.02 0.00 2.20 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 0.00 2.47 2.26 0.00 35 S 7.79 4.13 0.00 4.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 3.73 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 0.80 0.00 0.00 0.93 0.00 0.00 37 K 7.90 4.08 0.00 2.03 2.02 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 K 7.83 3.93 0.00 1.89 1.99 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 *40 R 8.03 4.28 0.00 2.14 2.00 0.00 3.18 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 41 E 8.29 4.10 0.00 1.97 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 2.35 2.28 0.00 42 E 7.96 4.39 0.00 2.10 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 2.29 2.32 0.00 43 S 8.12 4.24 0.00 4.07 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 0.00 44 G 7.77 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.51 4.67 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 46 R 8.70 4.08 0.00 2.01 1.83 0.00 3.05 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 47 I 8.41 4.94 1.88 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 0.97 0.91 0.00 0.00 48 N 8.91 5.05 0.00 2.76 2.61 0.00 0.00 6.59 7.19 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 49 I 8.27 4.91 1.87 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 1.40 0.79 0.91 0.00 0.00 50 S 8.75 4.29 0.00 3.87 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 51 E 8.74 4.08 0.00 2.10 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 2.27 2.31 0.00 52 G 8.79 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 53 N 8.44 4.87 0.00 2.84 2.92 0.00 0.00 6.15 7.68 0.00 0.00 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 C 8.06 3.72 0.00 2.92 2.99 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 55 P 0.00 4.36 0.00 2.23 2.08 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 56 E 8.00 5.05 0.00 1.95 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 2.19 2.36 0.00 57 R 8.29 4.76 0.00 1.71 1.81 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 58 I 8.64 4.69 1.87 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 0.71 0.92 0.00 0.00 59 I 8.65 4.75 1.89 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 1.23 0.69 0.92 0.00 0.00 60 T 9.31 4.84 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 1.22 0.00 0.00 61 L 8.46 4.87 0.00 1.63 1.62 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.60 5.68 1.20 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 0.00 0.00 0.00 63 G 9.01 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 64 P 0.00 5.26 0.00 2.19 2.02 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 65 T 8.17 3.83 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 1.20 0.00 0.00 66 N 8.24 4.46 0.00 2.84 2.84 0.00 0.00 7.04 7.83 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 67 A 7.91 4.21 1.40 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 68 I 8.00 3.65 2.18 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 1.44 0.86 0.94 0.00 0.00 69 F 8.50 3.77 0.00 3.41 3.42 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 70 K 8.32 3.94 0.00 1.82 1.89 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.63 7.81 71 A 7.87 4.12 1.37 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 72 F 8.46 4.09 0.00 3.05 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 73 A 7.72 3.85 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 *75 I 7.67 3.89 1.71 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 1.34 0.96 0.72 0.00 0.00 76 I 7.31 3.47 1.66 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.78 0.00 0.00 77 D 8.32 4.40 0.00 2.80 2.62 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 0.00 0.00 0.00 78 K 7.72 4.23 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 79 L 7.80 3.99 0.00 1.57 1.67 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.95 4.19 0.00 2.11 2.03 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 2.45 2.27 0.00 81 E 7.58 4.03 0.00 2.07 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 0.00 2.32 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.