NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9737 8.3549 109.7258 45.3298 0.0000 175.2672 3 Y 4.6169 7.8389 124.8181 56.5345 37.3757 175.7857 *5 F 4.6833 9.3540 130.6593 59.2302 41.9482 173.1616 6 I 4.8787 8.0494 126.8401 59.4237 39.9483 174.0068 7 E 4.9070 9.2441 128.5051 54.6167 31.4478 175.0444 8 T 5.0070 8.9313 116.2639 59.8152 72.5128 172.7762 9 K 4.8768 9.0421 123.1821 55.0255 35.4990 175.0893 10 T 4.9535 8.7173 122.6451 61.9782 70.7748 173.3317 11 F 5.0934 9.7581 126.9425 56.1733 41.2474 175.1305 12 T 4.9929 8.8939 121.4015 62.2822 70.2640 174.4359 13 V 5.1110 8.6455 118.9081 58.9110 36.7342 175.2710 14 K 4.6061 8.8336 121.6245 56.0402 32.9891 177.1968 15 E 4.1091 8.7486 121.5779 57.9932 29.8070 177.7305 16 G 3.9767 9.3125 109.4562 45.9415 0.0000 174.1431 17 T 4.5382 7.6265 108.9679 61.2738 69.2912 176.4489 18 S 4.1875 7.8127 119.6063 61.8798 62.7717 175.8528 19 N 4.3747 8.1521 120.1112 56.2176 38.7897 176.6453 20 I 3.6338 7.5523 121.2465 64.3073 36.9162 178.4780 21 V 3.5229 7.5790 117.3865 65.8387 31.6429 177.6229 22 V 3.7773 7.6785 117.9865 66.2153 31.3071 177.6730 23 E 3.9325 8.7905 119.2494 59.2002 29.2315 178.6508 24 R 3.8279 7.8071 117.7416 58.3438 30.0210 177.0081 25 F 4.7387 7.6504 115.0711 57.1867 39.4266 174.8866 26 T 4.4792 7.3033 117.5216 62.8479 69.9808 174.0506 27 G 3.8879 8.7330 110.9369 44.1062 0.0000 173.0633 28 E 4.3014 8.4584 118.8083 56.3475 30.2720 177.4372 29 G 3.9561 9.2148 111.8550 45.1523 0.0000 171.3936 30 I 4.1832 8.3673 116.9705 62.3758 39.4722 178.5280 31 I 2.5892 7.6651 120.4969 63.5736 37.5438 176.7609 32 E 2.0000 7.3995 114.7123 56.6556 29.5868 176.9667 33 K 4.3635 7.7264 118.3724 56.2133 32.9908 176.4094 34 F 4.3146 8.0999 119.8503 56.4853 39.6543 174.7910 35 E 4.2260 8.7113 125.7930 57.8950 30.0864 177.2804 36 G 4.3509 9.1847 113.5252 46.1920 0.0000 172.9831 37 F 3.6621 8.2032 122.5812 58.2743 39.4992 174.0211 38 I 3.9887 7.0816 129.6726 61.7324 38.1671 175.5302 39 D 4.1424 6.0500 116.2657 52.3284 41.7836 173.7172 40 L 4.8209 8.2118 120.5851 53.2013 44.6890 175.6252 41 S 4.6188 8.3471 120.2829 56.6041 66.4629 172.7406 42 V 4.4617 8.3702 123.9468 61.2968 32.9989 174.5289 43 L 4.6463 8.9476 129.1904 53.0317 43.8465 175.6411 44 V 4.4846 8.2213 124.3962 60.6262 32.9465 175.1693 45 K 4.0796 8.7956 130.8348 56.1318 32.9029 176.5685 46 K 4.1541 8.6969 128.4601 56.2759 31.7627 176.1485 47 V 4.4853 7.9061 119.3016 59.2929 34.3135 175.9565 48 R 4.0196 8.2984 123.9011 58.2758 30.4519 176.6001 49 R 4.6166 7.3929 112.4712 55.1280 33.1284 175.2308 50 G 3.7962 8.6462 103.8823 43.9502 0.0000 172.2429 51 D 4.5715 8.5013 118.1849 55.5775 41.4354 176.6910 52 E 4.7072 9.0134 121.6563 54.8357 32.9799 174.4028 53 E 5.1234 8.5056 120.6709 54.5962 33.0471 174.0629 54 V 4.8297 9.1135 127.1635 61.1109 34.5316 174.0278 55 V 4.7446 8.7133 128.2228 61.4415 33.5706 175.5667 56 V 4.4930 8.7202 128.5437 60.8591 34.4359 174.1493 *58 I 4.1113 7.9733 121.1097 61.2191 38.5633 175.1176 59 R 4.8713 8.1667 126.3476 54.2034 30.9758 175.4817 60 W 5.4087 9.0599 122.3541 54.7859 33.0008 176.4278 61 E 4.5415 9.8878 122.8827 59.4200 30.3073 177.0355 62 S 4.7472 7.9604 111.7205 55.9364 66.2758 175.2437 63 E 2.8927 8.7053 121.4648 58.9838 29.2554 178.7133 64 E 3.9022 8.1379 118.1340 59.1704 29.4178 178.9427 65 A 4.0205 8.1384 120.7183 55.0337 18.5636 179.3462 66 W 2.5400 7.7267 126.4152 60.0832 30.6121 178.0652 67 K 3.0779 7.9749 119.4748 59.1480 31.3512 178.5263 68 N 4.2786 7.6356 115.8447 55.8932 38.7249 176.9876 69 W 3.9513 7.5577 129.7003 60.3702 30.6223 177.6265 70 E 3.2937 7.4866 118.4344 58.7785 28.9315 177.9825 71 T 4.1174 7.0634 106.7625 60.7493 69.9540 175.2475 72 S 4.2918 6.9651 117.6980 58.2089 63.9756 175.3116 73 E 3.9549 8.6554 121.5627 59.2184 29.2841 179.4434 74 E 3.9663 8.1462 118.5229 59.8852 29.4508 178.7614 75 H 3.7556 7.1994 116.5739 58.5313 29.6685 176.8639 76 L 3.8219 7.3253 121.3568 57.9065 42.0608 178.1515 77 A 4.1814 8.0419 119.7597 53.8608 18.7475 177.6491 78 G 4.0465 7.2497 104.4042 43.1560 0.0000 171.6396 *88 P 4.4883 0.0000 0.0000 62.6379 33.2761 178.6108 89 D 4.2884 8.2043 117.8803 56.9963 41.1410 176.9372 90 H 4.4507 8.2866 113.4806 56.8858 29.2810 174.3600 91 I 4.3613 6.9237 121.4628 60.6725 36.8237 176.0101 92 I 4.0282 8.7829 129.4230 63.9410 37.5328 176.2431 93 N 5.0284 7.8994 118.4974 52.1960 42.5688 172.8690 94 V 4.6622 8.2541 123.1820 61.1787 34.3219 174.2182 95 D 5.2252 8.7714 126.8383 52.7284 44.4083 174.6738 96 H 5.4581 8.2983 114.5203 54.3011 31.8645 172.2606 97 A 4.5220 8.6374 120.1395 50.9359 22.8337 175.5811 98 V 4.3692 7.6132 111.9589 59.5532 35.3562 174.8716 99 Y 4.4807 7.5328 119.5314 56.4082 42.3957 173.8141 100 Y 4.7454 8.3409 120.2070 56.7799 39.5983 175.9764 101 V 3.8398 8.5241 124.1772 62.1004 30.6611 175.4916 102 K 3.7638 8.1255 126.4659 57.0932 32.7387 177.1161 103 S 4.6278 7.5032 110.9193 57.6134 64.9361 173.3353 104 S 4.6665 8.2065 118.8164 57.5841 65.2311 173.8646 105 K 4.4858 8.2131 118.9091 55.4582 35.0736 175.6473 106 A 4.4825 8.2260 124.0925 50.0565 21.1919 176.9614 107 A 4.1635 8.4813 120.7227 52.9805 18.3456 177.6521 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 G 8.35 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 0.00 0.00 0.00 3 Y 7.84 4.62 0.00 3.37 2.76 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 0.00 0.00 0.00 *5 F 9.35 4.68 0.00 3.24 3.10 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 6 I 8.05 4.88 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.86 0.00 0.00 7 E 9.24 4.91 0.00 1.85 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 0.00 2.35 2.39 0.00 8 T 8.93 5.01 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 1.21 0.00 0.00 9 K 9.04 4.88 0.00 1.77 1.57 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.41 1.48 7.81 10 T 8.72 4.95 4.18 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 1.21 0.00 0.00 11 F 9.76 5.09 0.00 3.07 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 12 T 8.89 4.99 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 13 V 8.65 5.11 2.26 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 0.96 0.00 0.00 1.00 0.00 0.00 14 K 8.83 4.61 0.00 1.76 1.76 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.57 7.81 15 E 8.75 4.11 0.00 2.08 2.05 0.00 0.00 0.00 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 2.33 0.00 16 G 9.31 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 0.00 0.00 0.00 17 T 7.63 4.54 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 1.33 0.00 0.00 18 S 7.81 4.19 0.00 4.22 4.37 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 19 N 8.15 4.37 0.00 2.85 2.84 0.00 0.00 7.24 7.82 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 20 I 7.55 3.63 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.72 0.00 0.00 21 V 7.58 3.52 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 0.35 0.00 0.00 0.78 0.00 0.00 22 V 7.68 3.78 2.37 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 0.95 0.00 0.00 0.95 0.00 0.00 23 E 8.79 3.93 0.00 2.22 1.90 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 2.29 2.30 0.00 24 R 7.81 3.83 0.00 1.83 2.00 0.00 3.13 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 25 F 7.65 4.74 0.00 3.00 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 26 T 7.30 4.48 4.38 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 1.22 0.00 0.00 27 G 8.73 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 4.30 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 29 G 9.21 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 30 I 8.37 4.18 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.05 1.25 0.00 0.00 31 I 7.67 2.59 1.09 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.62 0.00 0.00 32 E 7.40 2.00 0.00 1.52 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 2.03 2.09 0.00 33 K 7.73 4.36 0.00 1.91 1.85 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.30 7.81 34 F 8.10 4.31 0.00 3.50 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 35 E 8.71 4.23 0.00 1.96 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 2.37 2.50 0.00 36 G 9.18 4.35 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 0.00 37 F 8.20 3.66 0.00 2.68 2.85 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 38 I 7.08 3.99 1.68 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 1.31 0.63 0.79 0.00 0.00 39 D 6.05 4.14 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.82 0.00 1.72 1.67 1.11 0.95 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 41 S 8.35 4.62 0.00 3.80 3.63 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 42 V 8.37 4.46 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 0.79 0.00 0.00 0.96 0.00 0.00 43 L 8.95 4.65 0.00 1.78 1.53 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.22 4.48 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 0.93 0.00 0.00 45 K 8.80 4.08 0.00 1.86 1.75 0.00 2.00 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.38 7.81 46 K 8.70 4.15 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 V 7.91 4.49 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 0.78 0.00 0.00 0.94 0.00 0.00 48 R 8.30 4.02 0.00 1.77 1.90 0.00 3.20 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 49 R 7.39 4.62 0.00 1.90 1.84 0.00 3.08 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 50 G 8.65 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 0.00 0.00 0.00 51 D 8.50 4.57 0.00 2.59 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 52 E 9.01 4.71 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 53 E 8.51 5.12 0.00 2.01 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 2.29 2.31 0.00 54 V 9.11 4.83 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 55 V 8.71 4.74 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 0.92 0.00 0.00 0.94 0.00 0.00 56 V 8.72 4.49 1.86 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 0.74 0.00 0.00 0.25 0.00 0.00 *58 I 7.97 4.11 2.12 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.29 0.60 0.00 0.00 59 R 8.17 4.87 0.00 1.55 1.68 0.00 2.97 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 60 W 9.06 5.41 0.00 3.65 3.34 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 61 E 9.89 4.54 0.00 2.05 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 0.00 2.42 2.55 0.00 62 S 7.96 4.75 0.00 4.27 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 63 E 8.71 2.89 0.00 1.43 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 2.21 1.47 0.00 64 E 8.14 3.90 0.00 2.11 1.99 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 2.41 2.44 0.00 65 A 8.14 4.02 1.70 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 0.00 0.00 66 W 7.73 2.54 0.00 2.77 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.08 0.00 1.83 1.77 0.00 1.19 0.00 0.00 1.24 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.33 7.81 68 N 7.64 4.28 0.00 3.00 3.01 0.00 0.00 7.01 7.56 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 69 W 7.56 3.95 0.00 2.98 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.49 3.29 0.00 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 71 T 7.06 4.12 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 1.04 0.00 0.00 72 S 6.97 4.29 0.00 4.36 4.29 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 3.95 0.00 2.08 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 2.38 2.41 0.00 74 E 8.15 3.97 0.00 2.19 2.25 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 2.79 2.61 0.00 75 H 7.20 3.76 0.00 1.40 2.52 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.33 3.82 0.00 1.61 1.74 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.04 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 P 0.00 4.49 0.00 2.28 2.39 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 89 D 8.20 4.29 0.00 2.74 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 90 H 8.29 4.45 0.00 3.34 3.55 0.00 5.44 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 6.92 4.36 1.87 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 1.26 0.14 1.05 0.00 0.00 92 I 8.78 4.03 2.05 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 1.13 0.49 0.92 0.00 0.00 93 N 7.90 5.03 0.00 2.72 2.58 0.00 0.00 6.51 7.71 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 94 V 8.25 4.66 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 0.10 0.00 0.00 0.80 0.00 0.00 95 D 8.77 5.23 0.00 2.54 2.43 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 0.00 0.00 0.00 0.00 96 H 8.30 5.46 0.00 3.08 3.21 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.64 4.52 0.90 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 0.00 0.00 98 V 7.61 4.37 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 0.00 0.00 0.01 0.00 0.00 0.61 0.00 0.00 99 Y 7.53 4.48 0.00 2.51 2.56 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 0.00 0.00 0.00 0.00 100 Y 8.34 4.75 0.00 2.70 2.73 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 0.00 101 V 8.52 3.84 2.14 0.00 0.00 0.00 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 0.91 0.00 0.00 102 K 8.13 3.76 0.00 1.62 1.64 0.00 1.70 0.00 0.00 1.39 0.00 0.00 2.59 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.47 1.26 7.81 103 S 7.50 4.63 0.00 3.78 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 0.00 104 S 8.21 4.67 0.00 3.96 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 0.00 105 K 8.21 4.49 0.00 1.82 1.76 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.42 7.81 106 A 8.23 4.48 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 0.00 107 A 8.48 4.16 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.