NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 Y 4.7368 7.9876 118.9385 56.9502 40.2849 176.2680 34 L 3.1356 7.2250 119.4517 55.6519 40.1937 175.1951 35 E 3.4076 8.0298 120.8311 59.8251 29.9393 179.8204 36 Q 4.4086 7.9066 118.8495 59.2786 28.9695 178.3621 37 K 3.8791 7.7067 120.0612 59.5592 32.2846 178.3876 38 M 3.7912 7.5581 118.3014 58.7208 32.1775 178.3128 39 F 4.3006 7.8084 117.9297 60.3220 38.9958 177.6135 40 A 3.1364 7.6228 120.2777 54.7177 18.1203 179.5395 41 A 3.8702 7.5848 119.2613 55.4460 18.3907 179.8045 42 M 3.9254 7.8883 117.2566 58.4882 32.0197 179.1732 43 V 3.4332 7.4945 118.1650 65.7895 31.6485 177.8565 44 A 3.9459 7.9759 120.5381 55.3025 18.1861 179.3834 45 D 4.2568 8.1593 117.3264 57.4905 40.9783 178.7338 46 N 4.2320 8.0011 116.9783 56.5200 38.5596 177.5655 47 Q 3.6176 7.8392 119.3415 58.8045 28.5487 178.4054 48 M 4.1481 8.1237 119.6878 58.4731 31.7660 178.6858 49 A 3.9844 7.7187 119.9589 55.2362 18.6851 179.0800 50 M 4.0436 7.7186 116.6566 58.6123 31.8496 178.8583 51 V 3.4855 7.6673 119.2530 64.6350 31.3499 178.0750 52 M 4.1899 7.4563 118.2952 57.4721 31.8727 178.1283 53 L 4.1301 7.4287 118.7712 57.9936 42.2370 176.7720 54 N 4.9540 7.7151 117.9324 52.7561 40.1660 174.1861 *56 K 4.3741 8.7511 114.3581 56.6513 34.0189 177.4481 57 N 4.3322 8.3054 114.0035 55.5919 39.0979 175.1013 58 L 3.4666 7.6481 116.6398 55.6347 39.9272 173.1455 59 K 4.3006 7.4590 118.1247 55.1785 34.7673 177.7263 60 A 4.6170 8.6154 121.9707 51.5513 17.9979 176.9922 61 S 4.9543 8.5201 116.1220 57.8825 66.4659 172.5379 62 N 4.8921 7.9264 116.0342 52.1693 40.1106 174.5631 63 G 3.2638 6.1765 104.0394 46.1074 0.0000 171.9086 64 E 5.1841 8.6238 118.3404 54.5907 33.9087 175.1204 65 E 4.7398 9.2767 122.9474 54.6490 33.3707 173.6554 66 E 4.8264 8.9805 128.4287 55.4355 30.5739 175.3095 67 L 4.4522 9.3297 127.9614 54.9297 45.5086 174.9605 68 A 3.7089 9.3060 126.9579 53.1366 15.8582 176.9683 69 G 3.9557 8.4606 103.4424 47.6128 0.0000 174.4014 70 Q 4.4229 7.7117 115.8456 54.2418 33.0938 173.9530 71 T 4.4210 7.8888 117.4433 62.4766 69.8318 174.2197 72 W 4.8585 8.6452 125.4622 55.0662 32.8021 173.9355 73 Y 4.9812 9.1776 123.0709 56.2828 39.1063 174.8732 74 W 5.5423 8.5643 121.8961 54.7141 31.8159 174.9780 75 K 5.2082 9.5005 120.0689 55.0598 35.9681 175.5408 76 V 4.9619 9.1434 117.9508 59.7477 34.2099 174.8614 77 A 4.7806 9.0958 126.5952 49.3488 21.7978 173.5165 78 P 4.7690 0.0000 0.0000 63.7367 32.2808 176.2865 79 V 4.4281 8.5498 123.4965 60.7157 33.3755 175.3271 80 A 4.1381 8.8506 131.5477 52.4183 18.8978 176.4425 81 T 4.5615 8.1746 111.4994 60.3956 71.2296 173.8577 82 T 4.4308 8.2622 113.6721 61.5635 67.1244 173.5278 83 Q 4.5477 7.3923 115.7536 54.4221 31.3354 172.1653 84 P 4.5293 0.0000 0.0000 62.7280 33.1891 175.9706 85 L 3.5376 8.3494 115.8180 55.9002 38.8808 174.3347 *87 K 4.2947 7.7246 117.5956 56.4335 33.5837 174.6859 88 A 4.6811 8.4514 124.6737 51.2732 22.8502 174.5173 89 F 5.2542 8.0326 113.0383 55.9391 41.9434 172.7356 90 D 5.2876 9.3360 121.0478 52.7694 43.1824 175.3824 91 V 4.8405 8.7183 124.7891 61.5352 33.1280 174.6642 92 S 5.3970 9.3086 122.9071 56.6571 66.3251 173.4420 93 V 5.2828 8.8111 114.5827 59.7376 35.4899 174.4937 94 A 5.3375 9.6019 125.2667 50.2548 22.0672 177.0452 95 A 3.9489 9.0297 122.0642 53.6404 19.1374 177.3260 96 E 4.7004 7.7612 113.1329 53.9356 32.9252 176.0431 97 K 2.6473 7.8334 118.6408 59.0018 32.0919 178.3531 98 Q 4.3067 7.5681 114.4120 55.5360 28.9798 175.7299 99 A 4.3790 7.4104 121.5016 50.8050 19.8582 177.6638 100 S 4.3414 8.2673 114.4049 57.2560 63.0774 172.2191 101 P 4.6783 0.0000 0.0000 62.8064 31.7511 176.4410 102 I 4.1699 8.3596 114.0708 62.3965 38.5818 175.6979 103 I 4.7719 7.4724 120.6786 59.7579 41.6993 173.7041 104 T 5.1568 8.4807 123.8401 61.9805 72.1772 173.2667 105 V 4.3815 8.9550 126.5092 60.9811 34.5639 174.2165 106 R 4.7155 8.5211 127.8840 55.4675 31.5503 175.4688 107 S 4.3937 7.8714 120.2574 56.8116 67.2458 172.3968 108 Y 5.1269 8.4727 121.0542 56.2764 40.1140 175.1459 109 V 4.5728 7.9257 121.4431 60.5946 35.5701 175.3376 110 A 4.0492 8.6352 122.2196 52.7783 18.4361 177.5694 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 33 Y 7.99 4.74 0.00 3.28 3.30 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 34 L 7.22 3.14 0.00 1.63 1.26 0.78 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.03 3.41 0.00 2.09 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 0.00 2.39 2.37 0.00 36 Q 7.91 4.41 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.89 2.79 0.00 37 K 7.71 3.88 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 38 M 7.56 3.79 0.00 1.56 1.76 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 39 F 7.81 4.30 0.00 2.95 2.65 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 40 A 7.62 3.14 1.25 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 0.00 0.00 41 A 7.58 3.87 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 42 M 7.89 3.93 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 43 V 7.49 3.43 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 1.10 0.00 0.00 0.61 0.00 0.00 44 A 7.98 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.26 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 46 N 8.00 4.23 0.00 2.86 2.74 0.00 0.00 7.06 7.43 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 47 Q 7.84 3.62 0.00 1.73 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.02 1.31 0.00 48 M 8.12 4.15 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.73 0.00 49 A 7.72 3.98 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.72 4.04 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 51 V 7.67 3.49 1.68 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 0.19 0.00 0.00 0.24 0.00 0.00 52 M 7.46 4.19 0.00 1.98 2.33 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.01 0.00 53 L 7.43 4.13 0.00 1.70 1.70 0.88 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 54 N 7.72 4.95 0.00 2.61 2.52 0.00 0.00 7.08 6.56 0.00 0.00 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 K 8.75 4.37 0.00 1.81 1.94 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 57 N 8.31 4.33 0.00 2.74 2.85 0.00 0.00 6.96 7.85 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 58 L 7.65 3.47 0.00 1.65 1.63 0.61 0.68 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 59 K 7.46 4.30 0.00 1.91 1.79 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 60 A 8.62 4.62 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 61 S 8.52 4.95 0.00 4.04 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 62 N 7.93 4.89 0.00 2.55 2.70 0.00 0.00 5.83 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 6.18 3.26 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 0.00 64 E 8.62 5.18 0.00 1.71 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 65 E 9.28 4.74 0.00 2.29 1.97 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 2.28 2.32 0.00 66 E 8.98 4.83 0.00 2.01 1.87 0.00 0.00 0.00 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 2.36 0.00 67 L 9.33 4.45 0.00 1.72 1.53 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.31 3.71 0.23 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 0.00 0.00 0.00 69 G 8.46 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 0.00 0.00 0.00 70 Q 7.71 4.42 0.00 1.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 71 T 7.89 4.42 3.94 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 0.00 0.00 0.67 0.00 0.00 72 W 8.65 4.86 0.00 3.44 3.16 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 73 Y 9.18 4.98 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 5.54 0.00 3.46 3.23 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 0.00 75 K 9.50 5.21 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 76 V 9.14 4.96 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 0.80 0.00 0.00 0.98 0.00 0.00 77 A 9.10 4.78 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 4.77 0.00 1.99 2.07 0.00 3.66 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 2.06 2.24 0.00 79 V 8.55 4.43 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 0.76 0.00 0.00 1.02 0.00 0.00 80 A 8.85 4.14 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 81 T 8.17 4.56 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 1.39 0.00 0.00 82 T 8.26 4.43 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 1.22 0.00 0.00 83 Q 7.39 4.55 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 84 P 0.00 4.53 0.00 2.21 2.14 0.00 3.91 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 1.98 1.99 0.00 85 L 8.35 3.54 0.00 1.82 1.83 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *87 K 7.72 4.29 0.00 1.91 1.91 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.46 7.81 88 A 8.45 4.68 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 0.00 0.00 0.00 0.00 0.00 89 F 8.03 5.25 0.00 3.12 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 90 D 9.34 5.29 0.00 2.59 2.64 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 0.00 91 V 8.72 4.84 2.15 0.00 0.00 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 1.12 0.00 0.00 92 S 9.31 5.40 0.00 3.97 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 93 V 8.81 5.28 2.32 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 0.88 0.00 0.00 1.03 0.00 0.00 94 A 9.60 5.34 1.38 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 0.00 0.00 0.00 0.00 0.00 95 A 9.03 3.95 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 96 E 7.76 4.70 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 97 K 7.83 2.65 0.00 1.43 1.50 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.92 1.00 7.81 98 Q 7.57 4.31 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 99 A 7.41 4.38 1.22 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 0.00 0.00 0.00 0.00 0.00 100 S 8.27 4.34 0.00 3.86 3.80 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 0.00 101 P 0.00 4.68 0.00 2.45 2.13 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 102 I 8.36 4.17 2.01 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 1.08 0.00 0.00 103 I 7.47 4.77 1.89 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 1.35 1.37 0.92 0.00 0.00 104 T 8.48 5.16 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 1.24 0.00 0.00 105 V 8.95 4.38 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 0.89 0.00 0.00 0.91 0.00 0.00 106 R 8.52 4.72 0.00 1.82 1.64 0.00 3.18 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.34 0.00 107 S 7.87 4.39 0.00 2.72 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 5.13 0.00 2.79 2.82 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 0.00 109 V 7.93 4.57 2.30 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 0.84 0.00 0.00 1.02 0.00 0.00 110 A 8.64 4.05 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 * Residues marked with a * may have inaccurate shift predictions.