NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2408 8.4401 120.2310 56.3857 31.3616 175.8464 3 A 4.2553 8.2299 124.8627 49.8417 17.5307 176.2207 4 T 4.6694 7.3194 113.4980 58.6072 74.4214 173.2833 5 L 3.8602 8.3565 124.4926 58.2360 42.1868 178.6807 6 E 3.9084 8.2708 118.8146 59.8196 29.3683 178.9280 7 Q 4.0386 8.1654 117.7053 59.0919 28.6692 178.4169 8 H 4.1383 8.3361 117.3952 58.8341 28.5494 177.8213 9 L 3.9999 8.3138 119.8224 57.8085 41.5301 179.1644 10 E 4.1198 8.1172 117.3405 59.5885 29.5182 178.7584 11 D 4.5622 8.0976 117.7529 57.4889 41.3258 180.2988 12 T 3.9770 8.0013 116.3190 63.4807 68.3630 176.3161 *14 K 4.1642 8.0859 121.7431 56.1313 34.2803 175.8314 15 N 4.4154 7.9314 118.0650 52.5615 38.6710 173.7641 16 P 4.2452 0.0000 0.0000 65.3319 31.5821 177.2797 17 S 4.3741 8.5641 112.5528 58.5993 63.5986 173.3627 18 I 4.5165 7.7410 123.7484 60.5417 37.7769 175.7134 19 V 4.2618 8.5479 118.5261 61.5151 33.6193 175.7568 20 G 4.5860 8.0298 106.2166 46.0266 0.0000 172.6011 21 V 5.1494 8.5040 120.5185 60.2676 35.2622 173.0486 22 L 5.1571 9.0101 124.6136 53.9070 46.0484 174.1274 23 C 5.5481 9.2293 123.2368 58.2170 31.5389 173.1290 24 T 5.8090 9.1032 112.3457 58.7777 72.8803 173.4726 25 D 5.1062 8.3519 121.8376 52.2843 41.2684 176.7905 26 S 4.4263 8.5260 112.1273 60.0499 63.0307 174.3909 27 Q 4.4699 8.7789 119.8111 55.7560 29.2099 176.3528 28 G 3.8882 8.2133 105.0022 45.2189 0.0000 173.9391 29 L 3.9082 7.8780 122.5827 54.5354 42.4592 175.4304 30 N 4.7239 8.6404 125.1371 53.2047 38.4252 174.3704 31 L 4.2227 8.9299 127.7439 54.9565 42.3824 178.0015 32 G 4.5486 6.9900 114.5284 45.5793 0.0000 171.1376 33 C 5.2097 7.9444 115.8666 56.9085 32.8169 173.1187 34 R 4.6850 8.7220 118.9719 55.3983 34.7339 176.5697 35 G 3.8474 8.4609 107.4190 46.9943 0.0000 177.1144 36 T 3.9421 8.8007 111.9735 63.3322 69.0631 174.1926 37 L 4.6808 7.2368 123.5386 53.1765 42.6838 175.6755 38 S 4.8113 8.4859 117.7079 55.8362 66.5840 173.6098 39 D 4.3924 8.9515 118.8434 58.1390 40.1036 179.0019 40 E 3.9868 8.1043 115.9426 59.1517 29.8175 177.8479 41 H 4.6385 8.2517 115.8195 56.3009 29.2123 176.9568 42 A 4.1253 7.8218 123.8277 55.0516 18.1272 179.8824 43 G 3.4959 7.9868 103.6237 47.9450 0.0000 175.8316 44 V 3.5979 7.7675 120.7612 65.7063 31.6035 177.9423 45 I 3.6805 7.8404 119.4127 64.3840 36.8638 178.3830 46 S 4.0527 8.0866 113.9307 61.4505 62.1930 176.2854 47 V 3.5735 8.0466 121.1475 66.0000 31.2160 177.9326 48 L 3.9668 8.2500 118.7058 57.8052 41.4611 179.4229 49 A 4.0408 7.9950 120.6244 55.1953 18.0976 179.7737 50 Q 3.9842 8.1914 116.0739 59.1037 29.1304 178.5244 51 Q 4.1203 8.5483 119.4129 58.8128 28.8033 178.5067 52 A 4.0063 8.2130 121.6774 55.0610 17.8546 179.5063 53 A 4.0074 8.0616 119.2689 55.0794 18.1867 179.6121 54 K 4.1835 7.7503 115.4812 58.2419 32.2021 177.6131 55 L 4.4618 7.3283 118.5924 54.6718 41.4094 175.6572 56 T 4.6388 7.3339 112.3177 61.5399 70.8296 173.3274 57 S 4.5505 8.1095 115.1438 57.7512 62.5014 173.6295 58 D 4.2936 7.4608 120.4108 54.2177 40.5385 171.8234 59 P 4.2286 0.0000 0.0000 64.3714 30.9617 175.9080 60 T 3.5188 8.7904 112.3768 62.3472 67.7089 173.3678 61 D 4.5376 7.3543 120.6825 54.8587 38.3322 173.8485 62 I 3.7439 7.6714 120.5108 60.3919 36.8947 174.0023 63 P 4.4658 0.0000 0.0000 61.6609 31.7928 176.3745 64 V 4.0651 8.2999 124.1247 62.4688 32.3571 175.0404 65 V 4.2872 8.4491 128.4904 61.5611 32.6742 174.3831 66 C 5.0509 8.6791 127.7293 57.5870 34.1038 172.5383 67 L 4.7834 9.0986 126.5649 53.0126 43.6690 175.4747 68 E 5.0999 8.9365 122.2119 53.6825 32.5671 175.2573 69 S 4.5846 8.5454 116.3004 57.2882 66.1526 174.4909 70 D 4.3408 8.7256 119.3909 57.5647 40.4440 177.1344 71 N 4.6508 7.8521 115.2498 53.5341 39.1409 174.1494 72 G 3.9055 8.0378 103.4456 43.6653 0.0000 171.7463 73 N 5.5502 8.9518 115.7547 51.7250 42.0225 174.5772 74 I 5.2997 8.2353 123.7497 58.7438 41.3077 174.0461 *76 I 4.4631 7.9957 121.8120 61.7970 38.4138 175.0421 77 Q 4.8188 8.8975 126.8910 54.6422 32.9836 173.3599 78 K 4.8206 8.5767 123.9086 56.2895 33.5790 176.0723 79 H 4.6860 9.1199 123.7202 55.3724 32.1655 172.9804 80 D 4.1666 9.9089 127.8812 55.3187 38.2540 174.8070 81 G 4.0009 8.5992 107.5288 44.9580 0.0000 174.0231 82 I 4.4375 7.4842 120.3514 60.2062 39.7671 174.9426 83 T 4.6890 8.6389 122.4615 62.5271 70.0536 173.9022 84 V 4.8067 8.8983 126.8697 60.9024 34.4490 173.9616 85 A 5.0307 9.1034 129.5586 50.0432 22.2632 174.8901 86 V 4.7525 8.2781 120.9200 61.3004 35.0450 173.4339 87 H 5.1314 9.3463 128.6101 55.1475 31.1579 173.0706 88 K 4.9735 9.3428 128.5918 54.7693 35.2487 175.2471 *90 A 4.0906 8.8813 121.3789 50.3658 20.9117 177.1366 91 S 4.1031 7.5673 116.0566 58.0288 62.7318 172.6666 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 E 8.44 4.24 0.00 2.16 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 2.22 2.33 0.00 3 A 8.23 4.26 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 4 T 7.32 4.67 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 1.21 0.00 0.00 5 L 8.36 3.86 0.00 1.75 1.69 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.27 3.91 0.00 2.07 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 0.00 2.39 2.43 0.00 7 Q 8.17 4.04 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 8 H 8.34 4.14 0.00 3.37 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.31 4.00 0.00 1.73 1.74 0.96 0.94 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 10 E 8.12 4.12 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 2.51 2.50 0.00 11 D 8.10 4.56 0.00 2.79 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 12 T 8.00 3.98 4.39 0.00 0.00 0.00 0.00 0.00 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 *14 K 8.09 4.16 0.00 1.93 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.60 7.81 15 N 7.93 4.42 0.00 2.75 2.83 0.00 0.00 6.78 7.06 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 16 P 0.00 4.25 0.00 2.21 2.17 0.00 3.80 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 1.98 1.95 0.00 17 S 8.56 4.37 0.00 4.01 4.13 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 18 I 7.74 4.52 2.00 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 1.29 0.58 0.90 0.00 0.00 19 V 8.55 4.26 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 0.64 0.00 0.00 0.70 0.00 0.00 20 G 8.03 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.50 5.15 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 0.94 0.00 0.00 22 L 9.01 5.16 0.00 1.72 1.49 0.96 0.74 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 23 C 9.23 5.55 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.10 5.81 4.33 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 1.26 0.00 0.00 25 D 8.35 5.11 0.00 2.85 2.88 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 26 S 8.53 4.43 0.00 4.00 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 27 Q 8.78 4.47 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 28 G 8.21 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 29 L 7.88 3.91 0.00 1.73 1.75 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.64 4.72 0.00 2.73 2.75 0.00 0.00 7.23 7.78 0.00 0.00 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 L 8.93 4.22 0.00 1.74 1.71 0.96 0.75 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 32 G 6.99 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.94 5.21 0.00 3.34 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 34 R 8.72 4.69 0.00 1.76 1.79 0.00 3.42 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 35 G 8.46 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 0.00 0.00 0.00 36 T 8.80 3.94 4.30 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 1.26 0.00 0.00 37 L 7.24 4.68 0.00 1.74 1.66 0.94 0.62 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 38 S 8.49 4.81 0.00 3.95 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 39 D 8.95 4.39 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.99 0.00 1.99 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 2.13 1.88 0.00 41 H 8.25 4.64 0.00 3.26 3.35 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.82 4.13 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 43 G 7.99 3.50 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 0.00 44 V 7.77 3.60 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 1.15 0.00 0.00 0.94 0.00 0.00 45 I 7.84 3.68 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.92 0.00 0.00 46 S 8.09 4.05 0.00 3.98 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 47 V 8.05 3.57 2.20 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 1.06 0.00 0.00 0.96 0.00 0.00 48 L 8.25 3.97 0.00 1.89 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.99 4.04 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 50 Q 8.19 3.98 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 51 Q 8.55 4.12 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 52 A 8.21 4.01 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 53 A 8.06 4.01 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 54 K 7.75 4.18 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 55 L 7.33 4.46 0.00 1.82 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.33 4.64 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 1.30 0.00 0.00 57 S 8.11 4.55 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.46 4.29 0.00 2.89 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 59 P 0.00 4.23 0.00 2.17 2.01 0.00 3.74 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 2.11 2.07 0.00 60 T 8.79 3.52 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 1.21 0.00 0.00 61 D 7.35 4.54 0.00 2.69 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 62 I 7.67 3.74 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.97 0.00 0.00 63 P 0.00 4.47 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 64 V 8.30 4.07 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 0.74 0.00 0.00 0.93 0.00 0.00 65 V 8.45 4.29 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 66 C 8.68 5.05 0.00 2.97 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 67 L 9.10 4.78 0.00 1.59 1.53 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.94 5.10 0.00 1.90 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 2.29 2.20 0.00 69 S 8.55 4.58 0.00 3.96 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 0.00 70 D 8.73 4.34 0.00 2.69 2.79 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 71 N 7.85 4.65 0.00 2.70 2.81 0.00 0.00 7.47 7.46 0.00 0.00 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 G 8.04 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 73 N 8.95 5.55 0.00 2.69 2.69 0.00 0.00 7.29 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 74 I 8.24 5.30 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.26 0.88 0.00 0.00 *76 I 8.00 4.46 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 0.58 0.91 0.00 0.00 77 Q 8.90 4.82 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 78 K 8.58 4.82 0.00 1.69 1.73 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.44 7.81 79 H 9.12 4.69 0.00 3.10 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 9.91 4.17 0.00 2.76 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 81 G 8.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.44 2.03 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 0.90 1.00 0.00 0.00 83 T 8.64 4.69 4.36 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 1.22 0.00 0.00 84 V 8.90 4.81 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 1.04 0.00 0.00 0.96 0.00 0.00 85 A 9.10 5.03 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 86 V 8.28 4.75 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 0.98 0.00 0.00 0.93 0.00 0.00 87 H 9.35 5.13 0.00 3.16 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.34 4.97 0.00 1.67 1.67 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.19 7.81 *90 A 8.88 4.09 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 91 S 7.57 4.10 0.00 3.95 4.17 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 * Residues marked with a * may have inaccurate shift predictions.