NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3501 8.2549 119.0700 55.1565 31.1704 175.0490 8 P 2.9700 0.0000 0.0000 61.5695 31.9247 173.9373 9 N 4.9883 8.0599 118.8809 52.3353 43.3713 173.8184 10 H 4.5090 9.1706 118.9891 58.3360 30.0733 175.6333 11 T 5.2511 8.3568 114.7972 61.7371 71.3167 173.6211 12 I 4.8643 8.4209 119.1124 59.4394 40.5371 174.0682 13 Y 4.2234 9.0675 127.6689 56.5942 39.6865 173.8795 14 I 4.6306 7.8447 129.0508 59.8474 39.1488 175.0427 15 N 4.8293 7.9059 122.9052 51.2835 41.3610 173.9398 16 N 4.1548 8.7315 113.9280 54.6855 37.0948 174.0716 17 L 4.3562 7.7989 115.4379 53.3428 42.8296 176.5200 18 N 4.4073 8.6136 119.8368 53.7557 38.9289 175.7105 19 E 4.1782 8.6552 125.5428 58.4208 29.9037 177.9073 20 K 4.1547 7.9626 116.6556 57.1577 32.3188 176.6541 21 I 4.1803 6.6941 119.6839 59.1341 38.7213 176.5342 22 K 4.0928 8.2505 124.0738 55.9235 34.0554 177.9081 23 K 3.8172 8.5962 123.2510 60.0540 31.9090 178.7653 24 D 4.3586 8.0201 117.8159 57.2284 41.3387 177.7011 25 E 4.0949 8.1261 117.4570 58.8914 29.5256 178.5850 26 L 4.2334 7.9914 121.7648 57.8482 41.6674 178.8672 27 K 4.0383 8.0768 118.4022 59.4277 32.0202 179.3902 28 K 3.9964 7.9607 118.4911 59.3779 31.7765 179.6240 29 S 4.4187 8.5780 115.8029 60.7177 62.7890 175.6338 30 L 4.6515 7.8815 120.2113 56.1935 40.6987 177.2107 31 H 4.5627 7.7894 119.6530 57.7828 29.9096 176.8816 32 A 4.1570 7.9246 122.2588 55.0253 18.2927 178.9949 33 I 3.9168 7.2127 114.6525 63.8300 37.3219 178.0627 34 F 4.7425 7.8609 116.3833 58.9513 38.9415 177.6862 35 S 4.2323 7.8530 113.9851 61.2568 62.5026 176.0528 36 R 3.7032 7.3442 121.5424 59.4486 29.7248 177.7130 37 F 4.4656 7.9545 113.6975 59.7504 39.6629 176.7082 38 G 3.7326 7.2320 105.5909 45.2943 0.0000 171.7564 39 Q 4.4342 8.5903 124.2876 55.5603 30.4366 175.8317 40 I 4.5657 8.3561 127.5836 60.2192 38.2306 175.6275 41 L 4.2229 8.6890 128.2746 57.0594 41.7326 176.7398 42 D 4.6112 7.7100 116.0169 53.2625 44.7889 173.4240 43 I 4.6470 8.3309 125.2650 59.6477 39.2620 174.9862 44 L 4.5261 8.7072 128.4886 53.6136 42.9313 176.1602 45 V 4.7716 8.3825 123.5561 61.1556 34.1972 174.4603 46 S 4.8236 8.9232 121.0362 56.6811 65.2365 172.9411 47 R 4.5645 8.2835 120.7094 55.7265 30.7266 175.4038 48 S 4.4137 7.7587 112.1645 57.3776 63.7775 174.8671 49 L 4.0493 8.5125 122.5271 58.2688 41.9176 178.4492 50 K 4.1874 8.1402 116.5678 59.1959 32.1788 177.6418 51 M 4.6358 7.6475 115.9705 54.9440 32.1883 175.8674 52 R 4.0362 7.5220 118.8810 57.0985 30.8252 176.2912 53 G 3.9916 9.0290 112.3120 46.2063 0.0000 172.5294 54 Q 4.8102 7.8028 114.7429 54.2795 31.8060 173.5624 55 A 4.8506 8.6321 121.5154 50.3781 23.5428 174.8915 56 F 5.0075 8.9704 118.6810 55.7112 41.9011 174.7376 57 V 4.3568 8.2328 124.2308 61.1360 33.4986 174.3858 58 I 4.5100 7.9292 129.7077 60.2143 37.1118 175.0480 59 F 5.2529 8.6295 125.9439 55.7542 40.6751 177.2592 60 K 4.3151 9.2363 123.7931 58.9419 32.6263 176.6820 61 E 4.8251 8.0444 117.4249 53.1546 33.1048 176.1464 62 V 3.5691 8.3741 123.2002 66.1102 31.5399 178.1418 63 S 4.0576 8.1221 112.4634 61.7369 62.1851 176.3551 64 S 3.9042 7.8454 117.5767 61.1801 62.4447 176.4930 65 A 3.9961 7.6193 123.1263 55.2356 18.1506 179.6625 66 T 4.0236 8.0224 115.7267 66.4065 68.6338 176.7097 67 N 4.2661 7.8919 117.7471 56.1805 38.5632 177.4113 68 A 2.5800 7.1608 121.6689 54.2852 17.3314 179.4194 69 L 3.7723 7.6003 118.9116 58.3327 41.8746 179.4931 70 R 4.1990 7.4214 117.0150 58.9260 30.1148 178.6539 71 S 4.4018 7.6505 113.7430 61.0077 63.5698 175.6919 72 M 4.2286 7.7838 118.9740 54.0742 32.1934 175.9446 73 Q 4.0935 7.1234 122.7952 57.5582 29.5482 177.1170 74 G 4.0389 8.9828 111.9114 46.6362 0.0000 173.0201 75 F 4.1849 8.1500 123.4623 57.0982 39.5364 172.7730 76 P 4.5372 0.0000 0.0000 62.4796 31.5073 175.6855 77 F 4.6638 9.3193 125.9665 57.4517 41.9529 174.0755 78 Y 3.3871 8.6715 127.4008 59.4288 34.8475 170.8479 79 D 4.5910 8.2545 114.8984 54.4772 39.2701 174.5157 80 K 4.7873 7.6443 119.3766 53.5672 36.2052 173.9951 81 P 4.6757 0.0000 0.0000 63.1021 31.4314 176.3235 82 M 4.3909 8.9903 123.8465 55.5077 33.9767 175.7047 83 R 4.7544 8.3126 119.6641 54.0424 32.0437 172.6556 84 I 4.6365 8.2738 125.2728 60.1676 38.6351 174.9094 85 Q 4.6475 9.1613 124.8999 53.9456 33.3891 174.0861 86 Y 4.7907 8.3202 117.1388 57.5470 39.4011 175.3783 87 A 4.2820 8.8219 127.6657 52.7644 18.5394 178.9515 88 K 4.1221 8.9794 123.8585 56.8763 32.1508 175.2381 89 T 4.8297 7.4463 106.2938 59.2598 71.8902 173.0132 90 D 4.5702 8.4009 121.8883 53.9734 41.7383 177.0202 91 S 4.2581 8.4424 119.4677 58.5257 63.4795 174.6944 92 D 4.4260 8.5589 121.2491 53.9240 38.7859 176.5986 93 I 4.2779 7.4449 121.2336 62.2674 40.0692 176.9827 94 I 3.8407 7.7298 120.7604 63.9478 37.1828 177.7624 95 A 4.0279 8.0732 124.1193 54.9879 18.4737 177.9013 96 K 4.1941 7.4215 120.9600 54.8288 31.7390 182.0891 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 *7 R 8.25 4.35 0.00 1.85 1.79 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.77 1.43 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 9 N 8.06 4.99 0.00 2.62 2.95 0.00 0.00 7.06 7.89 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 10 H 9.17 4.51 0.00 3.26 3.61 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.36 5.25 4.41 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 1.42 0.00 0.00 12 I 8.42 4.86 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.82 0.93 0.00 0.00 13 Y 9.07 4.22 0.00 2.97 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 14 I 7.84 4.63 1.57 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.27 0.81 0.00 0.00 15 N 7.91 4.83 0.00 2.62 2.36 0.00 0.00 6.35 6.89 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 16 N 8.73 4.15 0.00 2.86 2.96 0.00 0.00 6.93 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 17 L 7.80 4.36 0.00 1.70 1.67 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.61 4.41 0.00 2.73 2.54 0.00 0.00 6.99 7.65 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 19 E 8.66 4.18 0.00 1.97 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 2.38 2.46 0.00 20 K 7.96 4.15 0.00 2.07 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.69 4.18 1.51 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.63 0.00 0.00 22 K 8.25 4.09 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 23 K 8.60 3.82 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.62 7.81 24 D 8.02 4.36 0.00 2.84 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 25 E 8.13 4.09 0.00 2.30 2.22 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 2.45 2.39 0.00 26 L 7.99 4.23 0.00 1.98 1.95 1.16 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.08 4.04 0.00 2.14 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.67 7.81 28 K 7.96 4.00 0.00 1.87 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.63 7.81 29 S 8.58 4.42 0.00 4.36 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 0.00 30 L 7.88 4.65 0.00 2.00 1.65 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.79 4.56 0.00 3.26 3.49 0.00 5.59 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 32 A 7.92 4.16 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 33 I 7.21 3.92 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 1.42 0.73 0.39 0.00 0.00 34 F 7.86 4.74 0.00 3.38 3.30 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 0.00 35 S 7.85 4.23 0.00 4.14 4.22 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 36 R 7.34 3.70 0.00 1.47 1.85 0.00 2.49 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.76 0.00 37 F 7.95 4.47 0.00 2.87 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 38 G 7.23 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 39 Q 8.59 4.43 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 40 I 8.36 4.57 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.74 0.73 0.00 0.00 41 L 8.69 4.22 0.00 1.55 1.72 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.71 4.61 0.00 2.67 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 43 I 8.33 4.65 1.87 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 1.20 0.70 0.91 0.00 0.00 44 L 8.71 4.53 0.00 1.66 1.66 0.91 0.34 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 45 V 8.38 4.77 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 0.80 0.00 0.00 0.96 0.00 0.00 46 S 8.92 4.82 0.00 3.87 3.75 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 47 R 8.28 4.56 0.00 1.74 1.84 0.00 3.32 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.76 4.41 0.00 4.01 4.01 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 49 L 8.51 4.05 0.00 1.61 1.76 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.14 4.19 0.00 1.82 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 51 M 7.65 4.64 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 52 R 7.52 4.04 0.00 2.09 1.84 0.00 3.43 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 53 G 9.03 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 54 Q 7.80 4.81 0.00 1.59 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 55 A 8.63 4.85 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.97 5.01 0.00 3.01 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 57 V 8.23 4.36 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 0.23 0.00 0.00 0.41 0.00 0.00 58 I 7.93 4.51 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.93 0.00 0.00 59 F 8.63 5.25 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 60 K 9.24 4.32 0.00 2.02 1.94 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.60 7.81 61 E 8.04 4.83 0.00 2.04 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 0.00 2.21 2.27 0.00 62 V 8.37 3.57 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 0.92 0.00 0.00 0.62 0.00 0.00 63 S 8.12 4.06 0.00 3.91 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 64 S 7.85 3.90 0.00 3.63 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 65 A 7.62 4.00 1.62 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 66 T 8.02 4.02 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 1.29 0.00 0.00 67 N 7.89 4.27 0.00 2.66 2.99 0.00 0.00 6.95 8.99 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 68 A 7.16 2.58 0.99 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 69 L 7.60 3.77 0.00 1.62 1.62 -0.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.42 4.20 0.00 1.85 1.94 0.00 3.34 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 71 S 7.65 4.40 0.00 3.99 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 72 M 7.78 4.23 0.00 1.76 2.02 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.33 0.00 73 Q 7.12 4.09 0.00 2.53 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.97 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 74 G 8.98 4.04 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 0.00 0.00 0.00 75 F 8.15 4.18 0.00 3.08 3.03 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 76 P 0.00 4.54 0.00 1.76 1.85 0.00 3.01 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 77 F 9.32 4.66 0.00 3.14 3.03 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 78 Y 8.67 3.39 0.00 2.93 2.77 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 79 D 8.25 4.59 0.00 2.86 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 80 K 7.64 4.79 0.00 1.67 1.69 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.68 0.00 2.09 2.14 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 82 M 8.99 4.39 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.66 0.00 83 R 8.31 4.75 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.29 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 84 I 8.27 4.64 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.81 0.00 0.00 85 Q 9.16 4.65 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 86 Y 8.32 4.79 0.00 2.96 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 87 A 8.82 4.28 1.55 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 88 K 8.98 4.12 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.45 4.83 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 90 D 8.40 4.57 0.00 2.66 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 91 S 8.44 4.26 0.00 3.86 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 92 D 8.56 4.43 0.00 2.75 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 93 I 7.44 4.28 1.85 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 0.92 0.89 0.00 0.00 94 I 7.73 3.84 1.81 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 1.21 0.51 0.71 0.00 0.00 95 A 8.07 4.03 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 96 K 7.42 4.19 0.00 1.92 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.