NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 T 4.4183 8.0176 115.2533 62.2565 69.5138 175.9644 31 V 3.5937 7.7774 121.3803 64.1705 31.5070 176.5493 32 G 3.7681 8.4007 106.3038 47.8200 0.0000 175.8177 33 Y 4.2512 8.1275 121.6274 60.5867 38.5997 178.1933 34 L 3.5714 7.4829 118.2858 57.2384 41.7443 178.9109 35 E 3.5643 8.1925 118.3988 59.4640 29.7384 179.0930 36 Q 4.6056 7.9458 117.6469 58.8484 28.8345 178.8968 37 K 3.9303 7.3904 115.8336 57.7624 31.5561 177.9810 *39 F 4.8496 7.9286 117.1553 57.3882 41.0122 176.1614 40 A 2.8916 7.4792 122.9695 54.8061 18.3397 180.5025 41 A 4.1698 7.5186 117.9390 52.2818 17.9050 179.6745 *43 V 3.7990 8.0133 120.8457 64.4364 33.3636 177.1227 44 A 3.9424 8.0160 120.5312 55.5276 18.2126 178.9354 45 D 4.4120 7.6541 115.5426 57.6571 40.9357 178.6518 46 N 4.4469 7.7880 115.3898 56.0898 38.7742 177.1984 47 Q 3.8161 7.6353 117.9551 55.8522 29.3381 176.6403 *49 A 4.0797 7.7899 119.8365 52.2740 20.2424 178.0461 *51 V 3.6395 7.5458 116.4993 64.0589 32.7193 177.2824 *53 L 4.2886 8.0305 119.2977 54.0568 43.3134 177.1988 54 N 4.9357 7.9267 116.2552 51.6435 39.3066 171.3513 55 P 4.4304 0.0000 0.0000 63.3590 32.7865 178.0736 56 K 3.9701 8.1485 119.6564 59.4440 32.4509 176.5083 57 N 4.5733 7.2118 113.2768 52.6959 37.9553 176.7760 58 L 4.1715 7.5852 120.8994 54.0231 41.6289 175.2352 59 K 4.6651 8.0051 123.5681 54.1420 35.8445 175.9988 60 A 4.5209 8.4786 122.1928 52.5168 19.0377 176.8631 61 S 4.8524 8.8273 115.7098 57.4415 67.3474 172.2786 62 N 4.3988 7.9469 115.3263 52.3581 39.5472 174.8320 63 G 3.4431 5.7489 105.0027 46.0451 0.0000 171.7221 64 E 5.1599 8.7905 119.1308 54.5402 33.5663 175.2627 65 E 4.7454 9.1452 123.1403 54.6357 33.2949 173.6041 66 E 4.9453 8.9341 128.0760 55.3543 31.1290 175.2963 67 L 4.3764 9.2373 127.3614 55.1564 45.4981 174.9874 68 A 3.3351 9.7022 128.2408 53.0379 15.9737 177.7328 69 G 3.9167 8.6220 106.2216 46.4730 0.0000 173.7217 70 Q 4.4661 7.8139 120.9394 54.2033 32.1761 174.2999 71 T 4.6306 8.2208 122.6216 62.7633 69.4830 174.0542 72 W 4.8545 9.4551 126.7303 55.1584 32.6366 174.8510 73 Y 4.9785 9.1779 121.4101 56.2968 39.3299 174.9982 74 W 5.5313 8.6469 122.4064 54.8998 31.4795 175.1501 75 K 5.1278 9.3981 121.8362 54.9262 35.5517 174.7913 76 V 4.9952 9.4271 127.2755 61.1920 34.1588 174.1201 77 A 4.8733 9.2877 129.3454 49.4074 21.6662 173.5863 78 P 4.8077 0.0000 0.0000 63.4699 32.4703 176.4150 79 V 4.4059 8.2738 121.9736 60.7247 33.4289 175.2748 80 A 4.1051 8.9070 130.7195 53.1534 18.7578 176.1506 81 T 4.7581 8.1049 113.6613 60.8296 70.6289 173.8725 82 T 4.3907 8.5279 121.5686 63.5482 69.5661 174.4772 83 Q 4.7334 7.6123 118.9135 53.6411 31.1613 173.6451 84 P 4.6605 0.0000 0.0000 63.1369 32.3335 176.2566 85 L 4.4041 7.8381 119.4576 56.2670 43.3857 176.3354 86 L 5.1681 7.8236 117.3730 52.8704 43.9224 176.7095 87 K 4.6719 9.0303 122.9104 55.5684 34.3060 175.6212 88 A 5.1119 8.4088 123.1099 50.4513 23.0930 174.8069 89 F 5.3180 8.2691 113.1260 55.8583 41.8465 172.7714 90 D 5.2935 9.4421 121.2648 52.8589 43.3317 175.4364 91 V 5.0693 8.9071 123.4626 61.2126 33.8027 174.4181 92 S 5.3481 9.2656 122.6432 56.5693 66.3631 173.1780 93 V 5.1331 8.8314 120.9934 61.4226 34.7387 174.0949 94 A 5.3291 9.1363 127.3710 50.4717 22.7041 176.6319 95 A 4.1738 9.0129 121.3838 54.0730 18.3025 177.4313 96 T 4.2202 7.4329 104.9215 59.8070 71.9272 174.8352 97 T 3.8707 7.4779 111.1715 64.0100 69.0545 175.5810 98 Q 4.1088 7.2202 117.4306 57.6591 29.4127 176.4918 99 A 4.1256 7.8263 119.6114 52.1574 18.9270 177.4422 100 S 4.3370 8.4316 116.6660 57.6223 63.5863 172.9989 101 P 4.6501 0.0000 0.0000 62.8626 31.8812 176.5522 102 I 4.0547 8.7011 122.6182 64.1942 37.7148 176.4963 103 I 4.7382 7.6658 120.4684 59.5582 41.7209 173.8594 104 T 5.1758 8.5428 124.0106 61.7758 71.8731 173.2751 105 V 4.3542 8.8314 126.0315 60.9926 34.5397 173.9257 106 R 4.8310 8.5058 127.9048 54.9856 31.4997 175.2729 107 S 4.5310 8.1947 121.1997 56.7200 67.2905 172.4279 108 Y 5.0868 8.3719 118.6972 56.2428 40.9329 175.2913 109 V 4.6591 9.0936 122.0882 60.9235 35.0875 174.8479 110 A 4.5388 8.7571 128.0969 52.0467 19.5635 177.5736 111 S 4.4470 8.2071 114.5568 58.6348 62.7935 174.4552 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 30 T 8.02 4.42 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 1.24 0.00 0.00 31 V 7.78 3.59 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 0.95 0.00 0.00 0.95 0.00 0.00 32 G 8.40 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 33 Y 8.13 4.25 0.00 3.05 3.19 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 0.00 0.00 0.00 0.00 34 L 7.48 3.57 0.00 1.70 1.55 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.19 3.56 0.00 2.13 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 0.00 2.31 2.47 0.00 36 Q 7.95 4.61 0.00 2.33 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.75 2.68 0.00 37 K 7.39 3.93 0.00 1.47 1.54 0.00 1.57 0.00 0.00 1.23 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.33 7.81 *39 F 7.93 4.85 0.00 3.20 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 40 A 7.48 2.89 0.93 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 41 A 7.52 4.17 1.26 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 0.00 0.00 0.00 *43 V 8.01 3.80 1.91 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 1.06 0.00 0.00 0.64 0.00 0.00 44 A 8.02 3.94 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 45 D 7.65 4.41 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.79 4.45 0.00 2.70 2.74 0.00 0.00 6.93 7.69 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 47 Q 7.64 3.82 0.00 1.68 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.00 1.16 0.00 *49 A 7.79 4.08 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 *51 V 7.55 3.64 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.67 0.00 0.00 *53 L 8.03 4.29 0.00 1.65 1.72 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.93 4.94 0.00 2.61 2.62 0.00 0.00 7.24 7.34 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 55 P 0.00 4.43 0.00 2.23 2.14 0.00 3.82 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 56 K 8.15 3.97 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 N 7.21 4.57 0.00 2.90 2.78 0.00 0.00 6.99 7.73 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 58 L 7.59 4.17 0.00 1.77 1.61 0.75 0.37 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 59 K 8.01 4.67 0.00 1.84 1.71 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.41 7.81 60 A 8.48 4.52 1.27 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 0.00 0.00 0.00 61 S 8.83 4.85 0.00 3.97 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 62 N 7.95 4.40 0.00 2.54 2.65 0.00 0.00 5.80 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 63 G 5.75 3.44 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 64 E 8.79 5.16 0.00 1.73 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 1.53 2.11 0.00 65 E 9.15 4.75 0.00 2.20 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 0.00 2.28 2.30 0.00 66 E 8.93 4.95 0.00 2.01 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 2.25 2.46 0.00 67 L 9.24 4.38 0.00 1.76 1.64 0.91 0.95 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 68 A 9.70 3.34 0.47 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 69 G 8.62 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 70 Q 7.81 4.47 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 71 T 8.22 4.63 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 0.72 0.00 0.00 72 W 9.46 4.85 0.00 3.35 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.18 4.98 0.00 3.10 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 74 W 8.65 5.53 0.00 3.49 3.25 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 0.00 75 K 9.40 5.13 0.00 1.91 1.74 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 76 V 9.43 5.00 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 0.84 0.00 0.00 1.09 0.00 0.00 77 A 9.29 4.87 1.26 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 0.00 0.00 0.00 78 P 0.00 4.81 0.00 1.99 2.06 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 79 V 8.27 4.41 2.04 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 0.77 0.00 0.00 1.00 0.00 0.00 80 A 8.91 4.11 1.28 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 81 T 8.10 4.76 4.32 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 1.26 0.00 0.00 82 T 8.53 4.39 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 83 Q 7.61 4.73 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 84 P 0.00 4.66 0.00 2.20 2.20 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 85 L 7.84 4.40 0.00 1.62 1.74 0.91 0.60 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 86 L 7.82 5.17 0.00 1.56 1.72 0.76 0.88 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 87 K 9.03 4.67 0.00 1.81 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.45 7.81 88 A 8.41 5.11 0.95 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 89 F 8.27 5.32 0.00 3.09 3.07 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 0.00 0.00 0.00 90 D 9.44 5.29 0.00 2.61 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 91 V 8.91 5.07 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 1.15 0.00 0.00 1.14 0.00 0.00 92 S 9.27 5.35 0.00 3.96 3.97 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 93 V 8.83 5.13 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 1.10 0.00 0.00 1.03 0.00 0.00 94 A 9.14 5.33 1.50 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 0.00 0.00 95 A 9.01 4.17 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 96 T 7.43 4.22 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 1.14 0.00 0.00 97 T 7.48 3.87 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 0.82 0.00 0.00 98 Q 7.22 4.11 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 99 A 7.83 4.13 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 0.00 100 S 8.43 4.34 0.00 3.91 3.85 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 0.00 0.00 0.00 101 P 0.00 4.65 0.00 2.36 2.14 0.00 3.81 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 2.03 2.04 0.00 102 I 8.70 4.05 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.98 0.00 0.00 103 I 7.67 4.74 1.83 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 1.29 1.29 0.85 0.00 0.00 104 T 8.54 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 0.00 105 V 8.83 4.35 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 0.91 0.00 0.00 0.89 0.00 0.00 106 R 8.51 4.83 0.00 1.86 1.65 0.00 3.18 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.29 0.00 107 S 8.19 4.53 0.00 2.72 3.21 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 0.00 108 Y 8.37 5.09 0.00 2.80 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 0.00 109 V 9.09 4.66 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 1.11 0.00 0.00 1.22 0.00 0.00 110 A 8.76 4.54 1.26 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 0.00 0.00 0.00 111 S 8.21 4.45 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.