NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2036 8.1631 117.3749 63.6129 70.3756 175.0770 6 G 3.8485 8.7644 106.8865 43.3999 0.0000 171.0456 7 I 4.7581 6.9694 112.1191 58.8700 41.8210 172.9903 8 S 4.4847 8.3899 115.4191 57.3798 64.1522 173.4866 9 R 4.4024 8.0145 122.1495 53.8322 32.2000 174.3193 10 E 3.9050 8.5126 121.1230 55.9174 29.5573 175.0125 11 T 3.8531 8.2287 118.0093 63.6370 67.7148 172.9283 12 S 4.7146 7.9674 119.5106 55.3900 65.6126 172.9218 13 S 4.0916 8.4792 118.3844 57.9614 62.6777 172.7087 14 D 4.1858 8.4661 120.8397 54.7324 40.1036 176.1838 15 V 3.9019 8.0455 126.6013 60.7377 31.2511 175.3575 16 A 3.9096 8.9802 131.2788 53.1669 17.0372 177.8011 17 L 3.5710 7.3064 119.7130 55.3241 38.1486 176.8838 18 A 4.2747 8.0955 125.8185 51.4774 19.4021 178.6356 19 S 4.1247 8.6922 115.4684 62.1283 62.7056 176.5995 20 H 4.2637 8.2658 121.7141 58.7168 29.5387 177.0082 21 I 3.9122 7.9590 121.5217 63.9112 37.0418 178.1661 22 L 4.1257 7.7794 119.6223 57.3073 41.3572 179.3946 23 T 3.8393 8.6631 110.4944 64.9796 68.7838 176.6376 24 A 4.0529 7.6190 123.6726 54.2243 18.1181 179.6875 25 L 3.9857 7.6736 116.8229 58.0721 41.8556 179.4604 26 R 4.2922 8.5355 117.4103 59.3636 29.9884 175.3497 27 E 4.5802 8.2620 114.8812 56.3040 33.2220 175.5521 28 K 4.6441 8.2055 122.5329 55.4519 32.8483 176.9267 29 Q 4.1296 8.0187 119.8092 55.2915 30.4975 174.8472 30 A 4.4336 8.4824 129.0626 50.7239 17.8556 174.7300 31 P 4.7897 0.0000 0.0000 64.1521 31.7606 176.8730 32 E 5.3048 7.9005 114.5274 56.5548 32.1410 176.7055 33 L 4.6875 7.4753 121.5859 54.8275 42.9126 178.1788 34 S 4.1682 8.2957 114.9943 60.5325 62.8971 173.8531 35 L 4.5771 7.1584 118.7425 54.2792 42.8788 174.3773 36 S 4.9557 7.8823 112.3761 57.4851 64.5687 174.0343 37 S 4.1175 8.6977 112.9405 62.2754 62.6711 176.3607 38 Q 4.0696 7.9863 120.1690 58.6423 28.6343 178.2437 39 D 4.3003 7.9638 119.6097 57.4489 40.9689 178.4534 40 L 4.0435 7.7640 120.3371 57.8096 42.0148 178.8244 41 E 3.9280 8.0988 118.8477 59.4871 29.3161 179.0834 42 L 3.9944 8.2110 118.0601 57.9978 41.9384 179.6486 43 V 3.7425 7.8052 117.9756 66.1102 31.2489 178.2497 44 T 3.9215 7.9931 114.8515 65.5305 68.3368 175.5243 45 K 4.3744 7.6935 119.3858 55.7641 33.8702 176.3448 46 E 4.4531 7.5600 120.1315 54.6352 28.6344 174.4565 47 D 4.5759 7.8310 123.5291 52.7896 42.1844 175.6901 48 P 4.1202 0.0000 0.0000 66.3473 31.0940 178.3639 49 K 4.0475 8.2534 117.0197 59.3625 32.2970 178.0987 50 A 4.1995 7.7178 119.4580 54.7287 18.7736 178.8253 51 L 3.7661 7.7834 118.5300 58.3875 41.8537 179.2444 52 A 3.5576 8.7487 121.6729 54.9605 18.1321 179.5335 53 V 3.3918 7.2323 114.8775 66.3444 31.4677 177.7833 54 A 4.1592 7.5051 119.1011 53.3325 18.8875 177.6919 55 L 4.4876 7.3978 118.4864 55.2004 40.5780 174.5168 56 N 4.5789 7.7471 120.1922 54.2402 38.5526 172.6441 57 W 5.3227 8.3024 123.2707 54.0661 33.3290 175.1958 58 D 4.6195 8.7964 118.6034 54.5394 41.9870 177.2207 59 I 3.7374 8.7425 119.5990 63.5537 37.4384 178.6245 60 K 4.1422 8.0595 120.0059 59.4307 32.2482 178.9799 61 K 4.0722 7.9706 120.6623 59.5335 32.2284 178.8404 62 T 4.1851 8.9884 111.2013 64.8746 68.5297 176.4902 63 E 3.9915 8.8160 121.9372 59.3506 29.4610 179.1143 64 T 4.2941 7.8890 117.2842 66.2498 68.4897 176.7365 65 V 3.7219 7.8433 119.8416 65.9429 31.6222 177.8880 66 Q 3.9846 7.9807 119.1230 58.9949 28.8320 177.9232 67 E 4.0224 8.9496 120.4246 59.0361 29.4964 179.1634 68 A 4.0051 8.1035 121.2299 55.1210 18.5517 179.1739 69 C 4.7134 8.2054 114.6462 60.9928 29.4564 175.9326 70 E 3.8547 8.0518 121.1846 59.1323 29.4954 178.8768 71 R 3.9933 7.8191 117.5087 59.3286 30.0542 178.9453 72 E 4.0243 8.2237 118.5368 58.9795 29.0581 178.6914 73 L 4.0239 7.8917 120.2415 58.3247 42.2704 178.9886 74 A 4.0879 7.9126 119.9708 54.7245 18.3095 179.5077 75 L 3.9358 7.5837 116.3765 58.2025 42.0347 179.7450 76 R 4.0696 8.5462 118.1659 59.0608 29.8315 179.0413 77 L 4.1848 7.6314 118.2013 57.2028 41.5473 178.7149 78 Q 4.0944 7.8863 118.8963 58.3201 28.6465 177.8353 79 Q 3.4915 7.4403 116.8916 59.5245 28.8005 178.2310 80 T 4.2984 7.3914 113.7944 62.8017 69.0065 174.8330 81 Q 4.1016 8.1901 124.0846 55.5981 29.6340 175.8556 82 S 4.4074 8.2663 117.5539 57.3205 63.9395 173.3126 83 L 4.2509 8.1310 121.0534 55.9315 40.5225 176.7363 84 H 4.4904 8.6404 113.7830 57.3101 29.1213 176.0556 85 S 4.3623 7.8903 115.7458 58.0627 63.5509 173.0289 86 L 4.6392 8.0771 123.6767 53.6335 44.4224 177.7884 *87 R 4.1396 8.4005 117.9672 56.6193 30.0396 176.3510 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 5 T 8.16 4.20 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 6 G 8.76 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 7 I 6.97 4.76 1.87 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 1.48 0.76 0.98 0.00 0.00 8 S 8.39 4.48 0.00 3.99 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 9 R 8.01 4.40 0.00 1.75 1.85 0.00 3.42 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 10 E 8.51 3.90 0.00 1.95 1.89 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 2.30 2.35 0.00 11 T 8.23 3.85 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 12 S 7.97 4.71 0.00 3.92 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 13 S 8.48 4.09 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 14 D 8.47 4.19 0.00 2.60 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 15 V 8.05 3.90 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 0.80 0.00 0.00 0.97 0.00 0.00 16 A 8.98 3.91 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 17 L 7.31 3.57 0.00 1.68 1.72 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.10 4.27 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 19 S 8.69 4.12 0.00 3.89 3.95 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 0.00 0.00 0.00 20 H 8.27 4.26 0.00 3.19 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.96 3.91 1.98 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 1.54 1.01 0.92 0.00 0.00 22 L 7.78 4.13 0.00 1.78 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.66 3.84 4.21 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 1.20 0.00 0.00 24 A 7.62 4.05 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 25 L 7.67 3.99 0.00 1.96 1.70 0.88 0.78 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 26 R 8.54 4.29 0.00 2.09 2.24 0.00 3.47 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 27 E 8.26 4.58 0.00 2.16 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 2.22 2.21 0.00 28 K 8.21 4.64 0.00 1.67 1.69 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.48 7.81 29 Q 8.02 4.13 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 30 A 8.48 4.43 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 31 P 0.00 4.79 0.00 2.18 2.16 0.00 3.50 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 32 E 7.90 5.30 0.00 2.19 2.16 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 2.27 2.27 0.00 33 L 7.48 4.69 0.00 1.71 1.78 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.30 4.17 0.00 4.07 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 35 L 7.16 4.58 0.00 1.82 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.88 4.96 0.00 3.86 3.78 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 37 S 8.70 4.12 0.00 3.90 4.05 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 38 Q 7.99 4.07 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 39 D 7.96 4.30 0.00 2.84 2.72 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 40 L 7.76 4.04 0.00 1.90 1.66 1.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.10 3.93 0.00 2.30 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 2.33 2.41 0.00 42 L 8.21 3.99 0.00 1.78 1.74 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.81 3.74 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 0.97 0.00 0.00 0.94 0.00 0.00 44 T 7.99 3.92 4.40 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 1.21 0.00 0.00 45 K 7.69 4.37 0.00 1.90 1.80 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 46 E 7.56 4.45 0.00 2.10 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 2.18 2.21 0.00 47 D 7.83 4.58 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 2.16 2.29 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 49 K 8.25 4.05 0.00 1.71 1.92 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.52 7.81 50 A 7.72 4.20 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 51 L 7.78 3.77 0.00 2.06 1.57 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.75 3.56 1.20 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 0.00 0.00 0.00 53 V 7.23 3.39 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 0.89 0.00 0.00 0.92 0.00 0.00 54 A 7.51 4.16 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 55 L 7.40 4.49 0.00 0.27 1.43 -0.25 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.75 4.58 0.00 2.82 2.90 0.00 0.00 6.99 7.95 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 57 W 8.30 5.32 0.00 3.40 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 58 D 8.80 4.62 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.74 3.74 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 1.34 2.18 0.89 0.00 0.00 60 K 8.06 4.14 0.00 2.03 2.14 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.55 7.81 61 K 7.97 4.07 0.00 1.94 2.20 0.00 1.54 0.00 0.00 1.99 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.46 7.81 62 T 8.99 4.19 3.83 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 0.90 0.00 0.00 63 E 8.82 3.99 0.00 2.23 2.33 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 2.32 2.34 0.00 64 T 7.89 4.29 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 1.24 0.00 0.00 65 V 7.84 3.72 2.49 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 1.18 0.00 0.00 1.27 0.00 0.00 66 Q 7.98 3.98 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 67 E 8.95 4.02 0.00 2.31 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 0.00 2.34 2.38 0.00 68 A 8.10 4.01 1.39 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 0.00 0.00 0.00 69 C 8.21 4.71 0.00 3.17 3.45 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 0.00 0.00 0.00 0.00 70 E 8.05 3.85 0.00 2.28 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 2.31 2.35 0.00 71 R 7.82 3.99 0.00 1.99 1.99 0.00 3.34 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 72 E 8.22 4.02 0.00 2.30 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 0.00 2.33 2.53 0.00 73 L 7.89 4.02 0.00 1.78 1.86 0.99 1.04 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 74 A 7.91 4.09 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 75 L 7.58 3.94 0.00 1.81 1.74 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.55 4.07 0.00 1.89 1.98 0.00 3.29 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 77 L 7.63 4.18 0.00 1.93 1.71 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.89 4.09 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 79 Q 7.44 3.49 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 80 T 7.39 4.30 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 81 Q 8.19 4.10 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 82 S 8.27 4.41 0.00 4.02 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 83 L 8.13 4.25 0.00 1.84 1.76 0.99 0.67 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 84 H 8.64 4.49 0.00 3.28 3.44 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.89 4.36 0.00 3.88 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 86 L 8.08 4.64 0.00 1.56 1.53 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *87 R 8.40 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.