NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2063 8.0249 114.2706 60.0290 40.9258 175.7332 5 K 3.6328 8.3272 120.8327 55.9943 30.8843 176.8322 *7 S 4.2727 9.5226 118.6641 58.0098 67.1253 172.0969 8 P 4.2010 0.0000 0.0000 65.9512 30.8906 178.4957 9 E 3.9431 8.2396 116.7198 59.7545 29.3424 179.1150 10 E 3.9714 8.1979 118.9596 59.1335 29.6030 178.7642 11 I 3.6982 7.9914 120.0981 64.5072 36.9673 178.4826 12 R 3.8930 7.9730 117.4719 59.3264 29.8441 178.7081 13 A 4.1743 7.8254 120.4727 54.9764 18.3816 179.8115 14 K 3.9911 8.4188 117.3932 59.6055 31.7882 179.1846 15 S 4.1624 8.4124 113.7142 61.7612 62.1324 176.1994 16 Q 4.0248 7.9489 121.9274 59.0396 28.7730 178.3689 17 S 4.0940 8.0206 115.0966 61.6674 63.0013 176.1183 18 Y 3.9914 8.1762 120.1452 60.6262 37.6690 178.6586 19 G 3.6429 8.3762 106.6683 47.9778 0.0000 175.8413 20 Q 4.1420 8.4730 120.7938 58.4040 28.7166 178.8299 21 G 3.6182 8.1645 106.8719 47.8072 0.0000 175.4967 22 S 4.0568 8.1655 115.8817 61.2644 62.4579 175.9667 23 D 4.3926 8.0301 121.3942 57.6181 40.5125 178.9864 24 Q 4.0489 8.3062 118.5268 58.8809 28.6114 178.7811 25 I 3.7403 7.8001 120.8921 64.4723 37.1607 178.6243 26 R 3.9393 8.0790 118.9023 59.3086 29.7919 178.9863 27 Q 3.9711 8.2142 119.2658 59.1382 29.0678 178.1520 28 I 3.7106 7.9605 120.9857 64.3633 37.1060 177.9832 29 L 4.0362 8.2167 121.3453 58.3639 41.9574 179.2187 30 S 4.1604 8.2699 114.8200 61.7577 62.8404 176.2966 31 D 4.4000 8.3704 121.6709 57.6677 40.6021 179.0493 32 L 4.2286 8.5343 119.1942 57.3857 41.6494 179.6084 33 T 3.8594 8.4308 116.6393 66.6488 68.4248 176.6703 34 R 3.8958 7.9339 119.1902 59.1550 30.0484 178.8560 35 A 3.9512 7.9436 120.4747 55.3123 18.3827 179.4801 36 Q 4.0625 8.2590 116.8866 59.1968 28.7565 179.6338 37 G 3.6225 7.9838 106.4520 47.8122 0.0000 175.3615 38 E 3.9346 7.8914 120.7413 58.8575 29.8320 178.6169 39 I 3.7228 7.9299 119.7274 64.4458 36.7191 178.2481 40 A 4.2077 8.2294 121.2818 55.3142 17.9827 179.5578 41 A 4.0643 7.9764 118.3152 54.5964 18.5572 178.6086 42 N 4.8347 7.8198 112.5508 52.0510 39.1722 174.6126 43 W 4.7267 7.4266 130.5452 55.4065 31.9020 175.1401 44 E 4.2698 9.0261 125.6226 56.7726 30.0127 178.0895 45 G 3.9276 8.5024 110.4005 45.4085 0.0000 173.8572 46 Q 4.4384 8.1444 116.4058 55.4578 29.1930 177.6731 47 A 3.8168 7.9116 123.8466 54.9288 18.4750 179.1340 48 F 4.5500 7.0215 115.4965 58.4736 40.2086 177.4130 49 S 4.2121 7.7442 117.5401 61.8042 62.6305 176.4473 50 R 3.6950 7.5152 121.8814 58.6911 29.8159 178.2110 51 F 4.1555 7.2598 117.1603 60.4790 38.4509 177.0945 52 E 3.9331 7.6801 118.0719 59.4088 29.3096 179.0641 53 E 3.9510 8.1402 119.0681 59.5318 29.7500 178.8690 54 Q 4.0000 8.1567 118.0453 58.8587 28.7299 178.6306 55 F 4.0172 8.4580 121.7287 61.5083 39.2514 177.3079 56 Q 4.1888 8.2184 116.5022 59.0368 28.5447 178.4077 57 Q 4.1380 8.0679 118.5206 58.8257 29.0560 178.2199 58 L 4.1554 8.0720 120.1259 57.0827 41.6447 179.3463 59 S 3.9451 8.0334 114.6056 61.0984 62.6750 174.9398 60 P 4.2449 0.0000 0.0000 65.1247 30.9920 178.7494 61 K 3.9922 7.9285 117.0419 59.2985 31.9438 179.4768 62 V 3.5962 7.8188 118.7021 65.7450 31.4667 177.5587 63 E 3.9395 8.4681 119.4685 59.4146 29.3884 178.9471 64 K 3.9719 8.3093 118.5377 59.4032 32.0258 178.9635 65 F 4.1424 8.6457 120.9302 61.3660 39.3795 176.8806 66 A 3.9249 8.3572 120.4853 55.3929 18.1086 179.4471 67 Q 3.8977 8.2587 117.9669 59.0123 29.1182 177.9846 68 L 3.8690 8.0949 121.8222 58.1009 41.9997 178.9864 69 L 3.9643 7.8844 119.1049 57.8323 41.5650 179.1370 70 E 3.9090 8.0614 119.0671 59.3147 29.5348 178.7376 71 E 3.9527 8.2933 118.8022 59.2711 29.4955 179.3556 72 I 3.4738 8.1247 120.2708 64.0051 37.0689 178.0441 73 K 3.7841 7.9192 121.9592 59.0330 31.9821 178.6548 74 Q 3.9430 7.9801 117.9229 58.9577 28.5547 178.6709 75 Q 3.9055 8.1060 120.5063 59.0583 29.0107 178.1230 76 L 3.8925 8.2693 120.2905 57.9134 41.6957 179.2074 77 N 4.2860 8.2103 116.2215 56.6264 38.5125 177.5524 78 S 4.1437 8.0991 116.3050 61.9698 62.7836 177.0913 79 T 3.8554 8.1984 118.2934 66.4519 68.2045 176.6823 80 A 3.9493 8.2570 123.0611 55.0728 18.4013 178.8738 81 D 4.2177 8.1413 116.2625 57.6744 41.3825 178.3620 82 A 3.9867 8.0803 120.9665 55.2885 18.3647 179.7495 83 V 3.5220 8.0520 116.8123 66.2282 31.3971 178.0051 84 Q 3.9868 7.8623 118.0962 59.2254 29.0078 177.8190 85 E 4.1724 8.4598 122.1270 60.0152 29.2616 179.9896 86 Q 4.0522 7.7204 119.2221 60.2957 28.3804 179.9063 87 D 4.7982 8.1664 121.1717 56.2836 40.8419 177.2804 88 Q 4.2799 7.5149 123.3527 54.9323 28.8391 180.7399 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 4 I 8.02 4.21 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 1.41 1.12 0.91 0.00 0.00 5 K 8.33 3.63 0.00 1.84 1.62 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81 *7 S 9.52 4.27 0.00 4.29 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 8 P 0.00 4.20 0.00 2.17 2.32 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 9 E 8.24 3.94 0.00 2.05 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 2.41 2.45 0.00 10 E 8.20 3.97 0.00 2.06 1.95 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 2.32 2.36 0.00 11 I 7.99 3.70 1.98 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 1.52 0.57 0.93 0.00 0.00 12 R 7.97 3.89 0.00 2.01 2.01 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 13 A 7.83 4.17 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 14 K 8.42 3.99 0.00 2.00 2.03 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.50 7.81 15 S 8.41 4.16 0.00 4.01 4.06 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 0.00 0.00 0.00 0.00 16 Q 7.95 4.02 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 17 S 8.02 4.09 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 18 Y 8.18 3.99 0.00 3.23 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 19 G 8.38 3.64 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 0.00 0.00 0.00 20 Q 8.47 4.14 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 21 G 8.16 3.62 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 0.00 0.00 0.00 22 S 8.17 4.06 0.00 3.89 4.06 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 0.00 0.00 0.00 0.00 23 D 8.03 4.39 0.00 2.91 2.71 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 0.00 0.00 0.00 24 Q 8.31 4.05 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 25 I 7.80 3.74 2.01 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 1.01 0.00 0.00 26 R 8.08 3.94 0.00 2.11 2.00 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 27 Q 8.21 3.97 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 28 I 7.96 3.71 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 0.96 0.00 0.00 29 L 8.22 4.04 0.00 1.88 1.87 0.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.27 4.16 0.00 4.16 3.93 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 31 D 8.37 4.40 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.53 4.23 0.00 1.97 1.93 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.43 3.86 4.50 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 1.30 0.00 0.00 34 R 7.93 3.90 0.00 2.07 1.98 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 35 A 7.94 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 36 Q 8.26 4.06 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 37 G 7.98 3.62 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 0.00 0.00 0.00 38 E 7.89 3.93 0.00 1.99 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 0.00 2.28 2.33 0.00 39 I 7.93 3.72 1.68 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 1.28 1.17 0.24 0.00 0.00 40 A 8.23 4.21 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.06 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 42 N 7.82 4.83 0.00 2.71 2.81 0.00 0.00 6.77 8.33 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 43 W 7.43 4.73 0.00 3.45 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 44 E 9.03 4.27 0.00 2.12 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 2.38 2.30 0.00 45 G 8.50 3.93 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 0.00 46 Q 8.14 4.44 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 47 A 7.91 3.82 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.02 4.55 0.00 1.68 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 49 S 7.74 4.21 0.00 4.00 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 50 R 7.52 3.70 0.00 1.60 1.46 0.00 3.05 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 51 F 7.26 4.16 0.00 2.36 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 52 E 7.68 3.93 0.00 2.08 1.95 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 2.34 2.18 0.00 53 E 8.14 3.95 0.00 2.01 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 0.00 2.25 2.37 0.00 54 Q 8.16 4.00 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 55 F 8.46 4.02 0.00 3.22 3.13 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 0.00 0.00 0.00 56 Q 8.22 4.19 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 57 Q 8.07 4.14 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 58 L 8.07 4.16 0.00 1.62 1.56 0.86 0.51 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 59 S 8.03 3.95 0.00 4.00 3.88 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 0.00 0.00 0.00 60 P 0.00 4.24 0.00 2.18 2.15 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 61 K 7.93 3.99 0.00 1.90 1.83 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 62 V 7.82 3.60 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 1.07 0.00 0.00 0.87 0.00 0.00 63 E 8.47 3.94 0.00 2.12 2.12 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 2.33 2.43 0.00 64 K 8.31 3.97 0.00 2.05 1.90 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.73 7.81 65 F 8.65 4.14 0.00 3.09 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 66 A 8.36 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 3.90 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 68 L 8.09 3.87 0.00 1.74 1.68 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.88 3.96 0.00 1.75 1.86 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.06 3.91 0.00 2.09 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 0.00 2.29 2.38 0.00 71 E 8.29 3.95 0.00 2.13 1.93 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 2.30 2.58 0.00 72 I 8.12 3.47 1.56 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 1.22 0.56 0.07 0.00 0.00 73 K 7.92 3.78 0.00 1.92 1.98 0.00 1.70 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.57 7.81 74 Q 7.98 3.94 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 75 Q 8.11 3.91 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 76 L 8.27 3.89 0.00 1.71 1.65 0.62 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.21 4.29 0.00 2.87 2.85 0.00 0.00 7.08 7.08 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 78 S 8.10 4.14 0.00 3.98 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 79 T 8.20 3.86 4.34 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 1.19 0.00 0.00 80 A 8.26 3.95 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 81 D 8.14 4.22 0.00 2.85 2.90 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 82 A 8.08 3.99 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 83 V 8.05 3.52 2.19 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 0.98 0.00 0.00 0.98 0.00 0.00 84 Q 7.86 3.99 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 85 E 8.46 4.17 0.00 2.34 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 2.32 2.36 0.00 86 Q 7.72 4.05 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 87 D 8.17 4.80 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.51 4.28 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.