NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 S 4.5679 8.3349 117.0992 58.0309 65.1542 175.9174 0 H 4.4722 8.3399 118.2536 55.1423 28.0397 172.7366 2 Y 5.1577 8.8935 120.8129 57.6296 43.2435 173.8628 3 Y 5.3144 9.3541 118.3290 56.4241 42.9382 174.5221 4 V 4.6035 8.9598 122.7216 60.3749 34.0482 174.7179 5 I 4.8453 9.0228 125.6310 59.7085 39.8399 174.3645 6 F 5.0783 9.5912 131.0743 56.3389 40.7478 173.4546 7 A 4.5593 8.4248 127.9965 50.5863 20.7337 175.6291 8 Q 4.8705 8.5484 120.2730 54.1044 31.8805 175.0959 9 D 5.1885 8.8550 124.0763 53.5757 42.7011 176.0292 10 I 4.1390 8.5185 123.5024 60.6274 37.5666 174.7879 11 P 4.2519 0.0000 0.0000 63.7545 31.9272 175.1317 12 N 4.2103 8.7059 116.6525 55.7352 36.9508 174.4135 13 T 4.6027 7.5698 102.8465 60.8197 69.9742 175.4634 14 L 3.9448 8.3027 125.5386 59.2310 41.9328 178.1819 15 E 3.9312 8.1449 118.4860 59.2194 29.6262 178.7503 16 K 3.9542 7.9476 118.0660 59.3953 31.9690 178.9861 17 R 3.5428 7.8189 117.9771 59.4441 30.0687 178.2868 18 L 4.1604 8.2139 118.5819 57.6959 41.4194 179.3198 19 A 4.0350 8.0975 119.9886 54.4206 18.6522 178.8350 20 V 4.0507 7.8123 114.5787 62.9660 31.7584 177.4986 21 R 3.9465 7.5912 120.3911 59.5323 29.9370 177.7924 22 E 3.8924 8.1246 118.5006 59.6303 29.4539 178.7852 23 Q 3.9508 7.8553 116.1378 58.8148 28.5917 177.5333 24 H 3.9033 7.9639 119.3850 59.2871 29.7273 177.3143 25 L 3.9762 8.3029 120.8033 57.6146 41.4690 179.2193 26 A 3.9758 7.8880 120.7486 55.4390 18.2592 179.9742 27 R 4.0103 7.6519 115.3131 59.3870 30.0471 179.3167 28 L 4.1824 7.9520 118.4246 57.6792 41.6036 179.4193 29 K 3.9456 8.4255 118.8928 59.3910 31.9333 179.1320 30 Q 3.9421 8.0180 119.6084 59.2305 29.0063 178.1994 31 L 3.8633 7.9284 120.0319 57.8334 41.5053 179.3403 32 Q 3.8932 8.4221 119.4913 59.1583 28.7854 178.1898 33 A 3.9809 7.9710 120.9250 54.9597 18.4883 178.6510 34 E 4.0725 7.9201 114.5184 56.0378 29.8270 176.1590 35 N 4.1595 8.1062 116.8107 55.0361 38.0757 174.2966 36 R 4.6129 7.9633 113.0061 54.4591 32.2579 175.2869 37 L 4.6117 7.6600 122.0796 53.6924 42.5536 175.7035 38 L 4.2721 8.9054 129.5509 57.9115 42.4613 176.4385 39 T 4.6832 7.6869 110.6030 61.6294 70.7880 171.1731 40 A 5.5037 7.0650 124.4923 51.4130 22.2407 175.9849 41 G 3.9949 8.1709 109.5783 44.8051 0.0000 170.0202 42 P 4.9299 0.0000 0.0000 62.3747 33.0314 175.9064 43 N 4.9449 9.0277 118.5654 50.7896 39.7660 172.7183 44 P 4.5570 0.0000 0.0000 62.7862 31.6924 176.9742 45 A 4.1315 8.7219 125.8879 53.3960 18.7733 177.1185 46 I 4.5779 7.1329 107.4801 58.7021 41.1034 175.7571 47 D 4.6205 8.2668 120.8606 52.0545 39.3594 174.6866 48 D 4.5893 7.3419 117.8136 52.9043 44.6441 175.0427 49 E 4.1653 9.0261 126.3189 58.6593 29.5741 176.8618 50 N 4.9287 8.4143 117.4259 50.7872 38.3457 172.8947 51 P 4.3203 0.0000 0.0000 62.2037 33.3510 178.3508 52 S 3.4231 7.3361 116.1203 59.9972 61.7857 175.2377 53 E 4.0364 8.8116 124.8438 59.6822 29.3877 177.9092 54 A 3.9599 7.6493 121.3399 52.8384 19.3639 179.5804 55 G 3.5074 7.8730 105.0818 46.0890 0.0000 172.5410 56 F 5.2723 8.5342 119.9303 56.0767 42.8397 174.7204 57 T 4.4681 9.9816 111.3953 60.8100 69.8686 175.1621 58 G 4.0189 6.8476 108.6640 46.6490 0.0000 170.9925 59 S 5.1417 7.4690 114.2579 57.4131 68.3230 173.4919 60 T 5.1002 8.9962 117.5285 61.9676 72.3097 173.3888 61 V 4.9369 9.0312 125.4662 61.1312 35.4386 174.1216 62 I 5.1909 8.7116 127.1887 59.6609 40.1762 174.4087 63 A 5.0097 9.0172 127.3895 50.8755 22.8002 174.8251 64 Q 4.3856 8.5941 118.9507 55.2551 30.3199 175.7097 65 F 4.7034 8.6442 119.9156 55.4751 43.3640 175.6616 66 E 4.0773 9.0380 121.2985 59.4629 29.5777 177.1671 67 N 4.6293 7.1735 113.4754 51.5796 41.5050 175.1804 68 L 3.4294 8.0537 121.2021 58.2540 42.0887 178.4299 69 Q 3.8482 8.0431 118.7808 59.0329 28.9918 177.8316 70 A 3.9663 8.5462 121.9540 54.9203 18.3222 179.4773 71 A 2.5800 7.4045 119.1475 54.6997 18.3247 180.0320 72 K 3.8427 7.9296 117.1387 59.6125 31.8710 179.3199 73 D 4.3278 8.1616 118.5134 57.0928 41.0481 178.3316 74 W 4.1797 8.2805 128.6365 60.3938 30.7055 177.7619 75 A 4.0691 8.4095 120.6352 55.3031 17.6462 179.5272 76 A 4.0505 8.0081 117.8310 54.6688 18.4912 178.8299 77 Q 4.1558 7.2393 113.9225 54.9839 29.6254 175.6952 78 D 4.0303 7.3161 121.5341 53.4453 42.0322 175.2525 79 P 4.0923 0.0000 0.0000 66.0682 30.7074 178.3180 80 Y 4.2815 8.0159 115.0276 60.2342 37.4535 178.5370 81 V 3.6392 7.8317 120.4392 65.9722 31.5548 177.5471 82 E 3.8697 8.0568 118.0387 59.0381 29.6485 177.5512 83 A 4.0971 7.8866 119.7052 52.6709 18.6831 177.7704 84 G 3.8407 8.0870 103.8164 46.2545 0.0000 175.2127 85 V 3.7900 7.7494 120.2323 64.6956 32.1504 175.1650 86 Y 5.0806 7.7193 116.5635 57.5960 37.9400 175.7554 87 A 4.3841 9.3019 127.5774 54.7957 19.2686 177.0903 88 D 4.6837 7.6269 111.9177 52.7611 42.6517 174.9992 89 V 4.7608 8.2328 112.1098 59.7712 35.5588 174.8698 90 I 4.4800 8.8135 126.1273 59.6555 39.2187 174.7209 91 V 5.0237 8.4914 126.6308 61.0811 33.7934 174.6939 92 K 4.9019 9.1676 126.3190 53.7293 36.3819 174.2074 93 P 4.3954 0.0000 0.0000 63.1654 31.8648 175.5320 94 F 4.8781 8.8172 124.0632 56.4565 42.6352 173.6575 95 K 4.0261 8.2939 127.8228 54.5952 31.7094 176.2538 96 K 3.3639 7.8318 128.9579 55.5917 31.1310 176.1875 97 V 3.6828 7.9177 126.6626 64.0185 32.1841 175.9337 98 F 4.3654 8.0000 121.7147 57.5074 39.4682 174.6615 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 *-1 S 8.33 4.57 0.00 3.58 3.68 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 0 H 8.34 4.47 0.00 3.06 3.09 0.00 5.80 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.89 5.16 0.00 3.26 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 3 Y 9.35 5.31 0.00 3.26 2.96 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 4 V 8.96 4.60 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 0.81 0.00 0.00 0.99 0.00 0.00 5 I 9.02 4.85 2.07 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 1.05 0.00 0.00 6 F 9.59 5.08 0.00 2.95 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 7 A 8.42 4.56 0.22 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 8 Q 8.55 4.87 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 9 D 8.86 5.19 0.00 2.70 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 10 I 8.52 4.14 1.87 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 1.24 0.58 0.91 0.00 0.00 11 P 0.00 4.25 0.00 2.03 1.98 0.00 3.81 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 2.03 2.08 0.00 12 N 8.71 4.21 0.00 2.82 2.87 0.00 0.00 6.81 7.70 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 13 T 7.57 4.60 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 1.36 0.00 0.00 14 L 8.30 3.94 0.00 1.80 1.73 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.14 3.93 0.00 2.07 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 2.38 2.41 0.00 16 K 7.95 3.95 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.94 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.48 7.81 17 R 7.82 3.54 0.00 1.47 2.04 0.00 3.22 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.00 18 L 8.21 4.16 0.00 1.89 1.72 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.10 4.04 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 20 V 7.81 4.05 2.39 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 0.92 0.00 0.00 1.00 0.00 0.00 21 R 7.59 3.95 0.00 2.15 1.93 0.00 3.21 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 22 E 8.12 3.89 0.00 2.06 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 0.00 2.35 2.39 0.00 23 Q 7.86 3.95 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 24 H 7.96 3.90 0.00 2.19 3.08 0.00 5.79 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 25 L 8.30 3.98 0.00 1.82 1.69 0.93 0.86 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 26 A 7.89 3.98 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 27 R 7.65 4.01 0.00 1.95 2.21 0.00 2.88 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 28 L 7.95 4.18 0.00 1.84 1.77 0.93 1.40 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 29 K 8.43 3.95 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 30 Q 8.02 3.94 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 31 L 7.93 3.86 0.00 1.80 1.48 0.12 0.44 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 32 Q 8.42 3.89 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 33 A 7.97 3.98 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 34 E 7.92 4.07 0.00 2.02 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 2.44 0.00 35 N 8.11 4.16 0.00 2.77 2.82 0.00 0.00 6.96 8.45 0.00 0.00 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 R 7.96 4.61 0.00 1.63 1.64 0.00 3.12 0.00 0.00 3.02 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 37 L 7.66 4.61 0.00 1.53 1.54 0.97 1.02 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 38 L 8.91 4.27 0.00 1.91 1.91 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.69 4.68 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 40 A 7.07 5.50 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 41 G 8.17 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 0.00 0.00 0.00 42 P 0.00 4.93 0.00 1.71 1.67 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.67 0.00 43 N 9.03 4.94 0.00 2.69 2.83 0.00 0.00 7.39 7.94 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 44 P 0.00 4.56 0.00 2.05 1.94 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 45 A 8.72 4.13 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 46 I 7.13 4.58 1.83 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 1.19 0.70 0.86 0.00 0.00 47 D 8.27 4.62 0.00 2.63 2.63 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 48 D 7.34 4.59 0.00 2.60 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 49 E 9.03 4.17 0.00 2.03 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 2.36 2.36 0.00 50 N 8.41 4.93 0.00 2.73 2.74 0.00 0.00 6.61 7.64 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 51 P 0.00 4.32 0.00 1.94 1.98 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.00 52 S 7.34 3.42 0.00 4.00 3.56 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 53 E 8.81 4.04 0.00 1.91 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 2.30 2.35 0.00 54 A 7.65 3.96 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 55 G 7.87 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 56 F 8.53 5.27 0.00 2.93 2.99 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 57 T 9.98 4.47 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 58 G 6.85 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 0.00 0.00 0.00 59 S 7.47 5.14 0.00 3.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 9.00 5.10 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 1.31 0.00 0.00 61 V 9.03 4.94 2.27 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 1.09 0.00 0.00 1.19 0.00 0.00 62 I 8.71 5.19 1.85 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.68 0.93 0.00 0.00 63 A 9.02 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.59 4.39 0.00 1.58 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.00 65 F 8.64 4.70 0.00 2.69 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 66 E 9.04 4.08 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 2.35 2.28 0.00 67 N 7.17 4.63 0.00 3.04 2.94 0.00 0.00 6.45 6.55 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 68 L 8.05 3.43 0.00 1.97 1.74 1.04 0.78 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 Q 8.04 3.85 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 70 A 8.55 3.97 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 71 A 7.40 2.58 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 3.84 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.56 7.81 73 D 8.16 4.33 0.00 2.77 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 74 W 8.28 4.18 0.00 3.44 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 75 A 8.41 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.01 4.05 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 77 Q 7.24 4.16 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 78 D 7.32 4.03 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 1.87 1.94 0.00 3.32 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 80 Y 8.02 4.28 0.00 1.82 1.63 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 81 V 7.83 3.64 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 1.01 0.00 0.00 1.09 0.00 0.00 82 E 8.06 3.87 0.00 1.92 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 2.27 2.29 0.00 83 A 7.89 4.10 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 84 G 8.09 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 0.00 0.00 0.00 85 V 7.75 3.79 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 0.45 0.00 0.00 0.67 0.00 0.00 86 Y 7.72 5.08 0.00 2.87 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 87 A 9.30 4.38 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 88 D 7.63 4.68 0.00 2.78 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 89 V 8.23 4.76 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 0.63 0.00 0.00 0.95 0.00 0.00 90 I 8.81 4.48 2.02 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 1.16 0.68 0.95 0.00 0.00 91 V 8.49 5.02 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 0.83 0.00 0.00 0.96 0.00 0.00 92 K 9.17 4.90 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 93 P 0.00 4.40 0.00 1.95 1.96 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 94 F 8.82 4.88 0.00 3.01 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 95 K 8.29 4.03 0.00 1.60 1.51 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.27 7.81 96 K 7.83 3.36 0.00 1.16 1.42 0.00 1.59 0.00 0.00 0.77 0.00 0.00 2.82 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.33 7.81 97 V 7.92 3.68 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 0.53 0.00 0.00 0.83 0.00 0.00 98 F 8.00 4.37 0.00 2.98 2.86 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.