NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 D 4.8640 8.3601 120.4717 54.5502 42.6601 173.8207 1 A 4.5395 8.5405 121.0053 50.5142 23.2255 173.4720 2 T 4.9164 8.5309 115.2931 61.6628 72.0638 172.3891 3 V 4.5508 8.3918 125.3888 60.9948 34.5103 174.5202 4 K 4.7986 9.3665 128.1844 56.0260 33.9279 176.2305 5 L 4.6861 9.3582 125.7466 55.9514 42.4802 176.3012 6 G 4.3504 9.2326 112.0383 46.9996 0.0000 172.1992 7 A 4.3631 8.6372 126.0792 51.1654 19.3976 178.3648 8 D 4.4041 8.6093 119.5976 57.3794 40.9603 178.6374 9 S 4.1575 7.9110 112.1923 59.3638 63.2634 174.9209 10 G 3.9133 8.2057 108.8024 44.6953 0.0000 173.8877 11 A 3.9317 7.6420 122.8020 52.1179 19.4515 177.5810 12 L 4.2315 8.2199 122.9162 53.1695 39.8624 175.6749 13 E 4.5627 7.5762 118.9723 54.5352 33.7816 174.8632 14 F 5.0721 8.5173 119.7106 57.0668 40.5415 175.4226 15 V 4.5054 8.8926 123.1741 60.3878 33.7550 173.2601 16 P 4.7613 0.0000 0.0000 62.4154 32.2167 176.4828 17 K 4.3601 8.8572 121.9206 59.1456 33.4671 176.4235 18 T 5.1596 7.9407 116.0006 61.6392 71.0143 173.3367 19 L 4.8202 9.0053 128.9234 53.4593 45.0132 174.9566 20 T 5.2434 8.5249 121.7960 61.8273 70.9434 173.3513 21 I 4.7621 9.0524 121.3286 59.7758 42.0337 174.8004 22 K 4.7275 9.1660 126.0274 53.5519 33.6126 176.1952 23 S 4.1888 8.5268 117.3246 60.4267 62.5285 175.0556 24 G 3.9804 9.2432 116.5650 45.0184 0.0000 173.5266 25 E 4.2317 7.9884 119.4527 56.5688 31.1518 175.8157 26 T 4.7638 8.7701 118.8685 62.1567 71.0557 173.8085 27 V 4.4510 8.5370 126.2844 61.2144 33.7984 174.0494 28 N 5.1062 8.9211 126.1117 51.6330 40.4116 174.0080 29 F 4.8975 8.6855 124.0296 56.6504 40.7061 174.9908 30 V 4.7660 8.8566 125.0831 60.6669 33.9093 174.3086 31 N 4.7760 9.4855 128.1595 54.4682 39.3664 173.0001 32 N 4.9291 9.2995 122.4159 54.6436 41.0737 173.6444 33 A 4.2827 8.6847 118.6884 51.4323 23.1623 176.4086 34 G 3.6114 8.1131 107.0998 45.7984 0.0000 174.0395 35 F 3.9918 6.1500 114.2179 55.0445 38.6525 172.9613 36 P 5.3412 0.0000 0.0000 63.0838 32.0317 174.9814 37 H 5.0173 8.4617 116.6991 54.5020 33.8463 171.4587 38 N 5.2491 8.4516 115.9666 51.8550 41.7917 173.0827 39 I 4.5477 8.3927 118.3721 59.5723 40.2144 174.8768 40 V 4.4326 8.2222 128.2520 60.6532 33.5226 174.8959 41 F 4.6507 8.9149 127.3805 57.1561 40.0478 174.8522 42 D 4.8843 9.2956 122.8647 53.2035 41.6625 177.1520 43 E 4.0260 9.0875 126.8260 59.7258 29.6022 177.7865 44 D 4.5814 8.5071 115.7279 55.3093 41.8239 176.0791 45 A 4.8092 8.3783 123.1089 50.7793 19.0858 175.0590 46 I 4.9166 7.0857 112.8142 56.9700 41.7275 173.9164 47 P 4.2838 0.0000 0.0000 62.1243 31.8093 176.3324 48 S 4.2377 8.2811 116.5317 60.4639 63.0928 175.3686 49 G 3.9574 8.9001 112.5292 45.2712 0.0000 173.6605 50 V 3.8980 7.1639 118.8963 61.8378 32.2635 174.6093 51 N 4.7349 8.4402 124.4843 51.8258 39.7579 175.0743 52 A 4.1413 8.7663 128.4496 55.5630 17.6442 178.7606 53 D 4.3296 8.0486 116.8589 57.5262 40.6692 178.9440 54 A 4.1985 7.8461 119.2227 54.1873 18.4548 178.6330 55 I 4.2578 6.9558 105.8133 60.4350 38.6673 176.2655 56 S 4.6729 7.2382 117.1792 58.1309 63.8149 174.0628 57 R 3.8408 8.3803 123.5833 54.6146 29.8442 175.8354 *59 D 4.4554 8.3882 125.4807 53.9696 42.9376 175.9782 *61 D 4.5516 7.6999 116.0508 53.8809 41.9640 174.9731 62 Y 4.6754 8.3664 121.0074 58.4104 38.7534 175.5965 63 L 4.6023 9.0259 123.9582 53.7251 42.8325 177.1763 64 N 4.7159 9.2099 120.5061 52.9396 40.8123 174.8112 65 A 4.3209 7.4992 119.9950 48.8297 21.6267 173.8350 66 P 4.3585 0.0000 0.0000 64.0271 31.8184 177.3315 67 G 3.9848 9.1407 111.7657 45.0729 0.0000 173.5065 68 E 4.0669 7.9477 121.8013 57.0478 30.4712 175.8614 69 T 5.3348 8.5949 122.3638 61.9160 72.1431 172.5215 70 Y 4.9599 9.0968 126.1144 56.0255 41.0344 174.7805 71 S 5.0187 8.4024 122.3335 56.6210 65.9783 173.9697 72 V 4.2870 8.2695 122.6062 60.0014 34.8277 173.5732 73 K 4.7659 8.5620 125.6223 55.1395 33.5046 175.2784 74 L 4.7713 8.3520 126.6032 53.2702 44.1591 177.2845 75 T 4.2776 8.5587 111.0087 62.5551 70.9535 174.6624 76 A 4.1091 8.0500 124.5574 51.2906 18.9499 176.9042 77 A 4.3360 8.4342 126.4761 52.2772 19.6113 178.1042 78 G 3.7329 7.5350 107.3864 44.6187 0.0000 171.8515 79 E 5.3640 8.4423 119.0912 54.9061 32.9743 175.1471 80 Y 5.1202 9.5731 120.5842 56.4054 41.2712 174.9187 81 G 4.4967 9.6794 113.4031 45.8106 0.0000 171.4035 82 Y 5.4196 8.5133 120.7328 56.0926 42.1489 172.7260 83 Y 5.4154 8.5106 117.4285 56.4559 42.5138 172.7880 84 C 5.2906 8.8740 120.1495 57.1184 32.8966 174.0181 85 E 4.2155 9.9609 127.5698 59.1744 29.2606 177.8634 86 P 4.2828 0.0000 0.0000 65.0957 31.6311 176.4582 87 H 4.9501 7.9331 114.9506 55.4369 29.8054 175.2666 88 Q 4.0208 8.1762 124.4364 59.1805 28.9660 179.0581 89 G 3.5082 8.0727 105.2515 48.2344 0.0000 173.7807 90 A 4.1753 7.8504 120.1628 52.2531 18.7453 177.6890 91 G 3.8486 8.1967 104.4534 45.9745 0.0000 174.8738 92 M 4.2777 7.9125 121.9982 54.3631 30.7679 175.2112 93 V 5.0695 7.9225 114.7972 59.4949 36.6991 174.3172 94 G 3.7861 8.2198 108.7940 45.6081 0.0000 171.1392 95 K 5.4218 8.8160 119.1605 55.2211 36.2804 174.9505 96 I 5.0882 9.3600 127.1818 59.6540 40.7558 174.3023 97 I 4.9386 9.1839 128.0043 59.7094 39.4620 174.6059 98 V 4.7161 9.0736 128.2327 61.3546 33.5771 175.6827 99 Q 4.3439 9.0830 126.4399 56.0781 28.9116 175.6477 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 0 D 8.36 4.86 0.00 2.52 2.67 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 0.00 0.00 0.00 0.00 1 A 8.54 4.54 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 2 T 8.53 4.92 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 3 V 8.39 4.55 1.78 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 1.39 0.00 0.00 0.74 0.00 0.00 4 K 9.37 4.80 0.00 1.78 1.92 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 5 L 9.36 4.69 0.00 1.69 1.57 1.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.23 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 7 A 8.64 4.36 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 8 D 8.61 4.40 0.00 2.68 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 9 S 7.91 4.16 0.00 3.96 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 10 G 8.21 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 11 A 7.64 3.93 1.19 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 0.00 0.00 12 L 8.22 4.23 0.00 1.40 1.42 0.72 0.53 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 13 E 7.58 4.56 0.00 1.96 1.92 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 2.20 2.33 0.00 14 F 8.52 5.07 0.00 3.07 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 15 V 8.89 4.51 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 0.98 0.00 0.00 0.97 0.00 0.00 16 P 0.00 4.76 0.00 2.31 2.07 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 K 8.86 4.36 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.71 7.81 18 T 7.94 5.16 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 1.26 0.00 0.00 19 L 9.01 4.82 0.00 1.77 1.53 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.52 5.24 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 1.23 0.00 0.00 21 I 9.05 4.76 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.28 0.84 0.00 0.00 22 K 9.17 4.73 0.00 1.45 1.71 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.25 7.81 23 S 8.53 4.19 0.00 3.89 3.84 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 24 G 9.24 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 25 E 7.99 4.23 0.00 2.04 1.80 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 2.33 2.25 0.00 26 T 8.77 4.76 4.46 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 0.00 0.00 0.00 1.09 0.00 0.00 27 V 8.54 4.45 1.75 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 -0.08 0.00 0.00 0.72 0.00 0.00 28 N 8.92 5.11 0.00 2.57 2.66 0.00 0.00 6.59 8.05 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 29 F 8.69 4.90 0.00 3.27 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 30 V 8.86 4.77 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 1.04 0.00 0.00 1.01 0.00 0.00 31 N 9.49 4.78 0.00 3.09 2.82 0.00 0.00 6.15 6.72 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 32 N 9.30 4.93 0.00 2.80 3.16 0.00 0.00 6.92 7.96 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 33 A 8.68 4.28 1.19 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 0.00 0.00 34 G 8.11 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 35 F 6.15 3.99 0.00 3.21 3.27 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 36 P 0.00 5.34 0.00 1.57 2.32 0.00 3.27 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 37 H 8.46 5.02 0.00 3.10 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.45 5.25 0.00 3.07 3.11 0.00 0.00 5.68 7.68 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 39 I 8.39 4.55 1.41 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.33 -0.31 0.00 0.00 40 V 8.22 4.43 1.18 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 0.86 0.00 0.00 0.80 0.00 0.00 41 F 8.91 4.65 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 42 D 9.30 4.88 0.00 2.99 2.83 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 0.00 0.00 0.00 0.00 43 E 9.09 4.03 0.00 2.04 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 2.37 2.47 0.00 44 D 8.51 4.58 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.81 1.29 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 0.00 0.00 46 I 7.09 4.92 1.61 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 1.58 1.46 1.14 0.00 0.00 47 P 0.00 4.28 0.00 2.01 2.00 0.00 2.60 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 48 S 8.28 4.24 0.00 3.83 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 49 G 8.90 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 50 V 7.16 3.90 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 0.80 0.00 0.00 0.96 0.00 0.00 51 N 8.44 4.73 0.00 2.75 2.67 0.00 0.00 7.04 8.15 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 52 A 8.77 4.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.33 0.00 2.88 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 54 A 7.85 4.20 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 55 I 6.96 4.26 1.51 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.48 0.80 0.00 0.00 56 S 7.24 4.67 0.00 3.86 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 57 R 8.38 3.84 0.00 0.67 1.03 0.00 2.85 0.00 0.00 2.70 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.44 0.00 *59 D 8.39 4.46 0.00 2.73 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 *61 D 7.70 4.55 0.00 2.64 2.60 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 62 Y 8.37 4.68 0.00 2.92 2.83 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 0.00 0.00 0.00 0.00 63 L 9.03 4.60 0.00 1.79 1.62 1.03 0.68 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 64 N 9.21 4.72 0.00 2.65 2.83 0.00 0.00 6.85 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.50 4.32 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 66 P 0.00 4.36 0.00 2.04 2.08 0.00 3.54 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 67 G 9.14 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 68 E 7.95 4.07 0.00 2.10 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 2.34 2.31 0.00 69 T 8.59 5.33 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 1.30 0.00 0.00 70 Y 9.10 4.96 0.00 2.93 2.98 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 71 S 8.40 5.02 0.00 3.62 3.58 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 72 V 8.27 4.29 1.73 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 0.96 0.00 0.00 0.86 0.00 0.00 73 K 8.56 4.77 0.00 1.70 1.67 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.66 7.81 74 L 8.35 4.77 0.00 1.36 1.11 0.26 -0.25 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 75 T 8.56 4.28 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 1.19 0.00 0.00 76 A 8.05 4.11 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 77 A 8.43 4.34 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 78 G 7.53 3.73 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 0.00 0.00 0.00 79 E 8.44 5.36 0.00 1.95 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 2.35 0.00 80 Y 9.57 5.12 0.00 3.07 3.33 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 81 G 9.68 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 0.00 0.00 0.00 0.00 82 Y 8.51 5.42 0.00 2.26 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 0.00 0.00 0.00 83 Y 8.51 5.42 0.00 3.13 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 84 C 8.87 5.29 0.00 3.14 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 85 E 9.96 4.22 0.00 2.30 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 0.00 2.63 2.43 0.00 86 P 0.00 4.28 0.00 1.77 2.01 0.00 3.74 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 1.58 1.19 0.00 87 H 7.93 4.95 0.00 3.15 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.18 4.02 0.00 2.27 2.07 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 2.22 2.16 0.00 89 G 8.07 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.18 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 G 8.20 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 92 M 7.91 4.28 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.44 0.00 93 V 7.92 5.07 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 0.98 0.00 0.00 94 G 8.22 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 0.00 0.00 0.00 95 K 8.82 5.42 0.00 1.85 1.64 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.58 7.81 96 I 9.36 5.09 2.02 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 1.29 0.86 0.86 0.00 0.00 97 I 9.18 4.94 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.97 0.00 0.00 98 V 9.07 4.72 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 1.02 0.00 0.00 0.83 0.00 0.00 99 Q 9.08 4.34 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.32 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.