NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4196 8.3033 118.9415 55.8115 32.4061 174.6403 3 L 4.5111 7.9996 120.1314 54.6960 42.3201 174.9476 4 R 4.8799 8.6867 120.4788 54.5347 35.6926 173.3488 5 L 4.8895 8.8943 124.7656 53.8189 44.0647 176.0301 6 L 4.9374 8.6348 128.5947 53.0890 45.1021 175.1605 *8 F 4.6173 8.3968 116.6217 58.1632 40.4704 174.4828 9 E 5.2094 9.1427 122.4235 54.7567 33.8637 174.5981 10 Q 4.9297 8.0306 115.8397 54.3922 31.3627 172.1915 11 P 4.1376 0.0000 0.0000 64.2100 31.7172 177.0175 12 G 3.7434 8.7882 109.3600 46.4555 0.0000 173.7261 13 C 4.2797 7.6011 120.4825 58.1311 31.5633 173.6159 14 L 3.9064 8.4103 130.8914 58.5290 41.8008 178.2821 15 Y 4.0636 8.0558 116.1384 60.9669 37.7769 177.7959 16 C 4.0824 8.2823 117.2048 62.9957 28.3207 175.9251 17 A 4.0166 8.0267 122.1089 55.1494 17.9163 179.8796 18 R 3.9350 8.3314 116.8666 59.1689 30.0944 179.1084 19 W 3.2555 8.2504 128.1434 60.3042 30.4155 177.6750 20 D 4.3530 8.3971 117.8413 57.4214 40.3104 178.3981 21 A 4.1187 7.9102 120.2824 54.2434 18.5796 178.7739 22 E 4.2413 7.7871 115.5857 58.3789 30.7198 177.9763 23 I 3.7724 6.9451 118.9068 62.8074 37.4790 177.7153 24 A 3.3934 6.5075 120.7362 54.6677 18.1965 176.8806 25 P 4.3913 0.0000 0.0000 65.7742 31.7400 178.5595 26 Q 4.1812 8.0291 116.8192 58.4989 28.5921 177.3144 27 Y 4.4120 7.9972 121.2341 60.5349 38.6434 176.4211 28 P 4.4693 0.0000 0.0000 64.1801 31.7712 176.8667 29 L 4.4288 7.8415 118.2953 54.2782 42.5562 176.0462 30 T 4.5074 6.7516 109.5131 59.6108 71.4548 175.0925 31 D 4.3245 8.5640 122.6064 57.7484 40.7623 179.1106 32 E 4.0858 8.0884 118.4128 59.5164 29.3953 179.5361 33 G 3.1118 7.5226 105.5083 46.9902 0.0000 175.5997 34 R 4.1125 7.7354 119.0847 58.6250 30.1762 178.5494 35 A 4.3156 7.9125 120.0056 53.7098 19.5963 177.4100 36 A 4.9090 7.7949 118.1075 49.0859 19.0494 173.6650 37 P 4.7830 0.0000 0.0000 62.5970 32.9589 175.9586 38 V 4.6687 8.7561 123.3617 61.4829 32.9890 175.4567 39 Q 4.5395 8.9917 121.6077 54.3910 32.4916 174.6054 40 R 4.3304 8.5854 122.8519 55.5154 31.6935 175.6650 41 L 4.5769 7.6479 120.1917 53.5560 46.5469 175.7888 42 Q 4.9047 8.1491 120.7841 55.0930 29.5090 177.3838 *44 R 4.3179 8.4219 119.5885 56.7130 32.0778 175.4477 45 D 4.6563 7.7570 117.5529 52.8055 41.6201 174.5921 46 P 4.4073 0.0000 0.0000 62.5751 31.9463 176.7221 47 L 4.2948 8.2141 120.9769 53.7803 42.1786 175.5089 48 P 4.3405 0.0000 0.0000 62.0397 31.9026 174.4112 49 P 4.1875 0.0000 0.0000 64.4604 31.6512 177.0071 50 G 3.9630 8.9437 110.0638 45.0684 0.0000 173.1113 51 L 4.5005 7.3084 119.9089 54.0955 42.6241 176.2077 52 E 4.5845 9.4788 124.6366 54.7542 31.3046 175.3290 53 L 4.8729 8.4185 124.3892 53.3138 42.9152 177.3742 54 A 4.1236 9.3002 125.6707 54.9826 18.6272 177.9456 55 R 4.5351 7.3021 109.3373 54.2559 31.8662 172.7680 56 P 4.2271 0.0000 0.0000 62.6766 31.7580 175.8963 57 V 3.7472 7.8111 119.7866 62.4097 31.7012 175.7493 58 T 4.5582 8.4104 115.2951 61.0312 69.9099 173.4155 59 F 4.7440 7.8937 123.5207 56.6409 42.5763 173.2795 60 T 4.6337 7.2827 116.5457 58.8078 71.3643 171.7484 61 P 4.8745 0.0000 0.0000 62.4212 32.9197 174.9571 62 T 4.9947 8.1036 118.0239 61.7774 71.8453 173.2224 63 F 4.9387 9.5326 124.6045 55.8443 41.7664 174.4529 64 V 4.7210 9.2059 125.2659 61.1516 33.4665 175.4182 65 L 5.0059 9.1405 130.4454 53.2972 44.6640 175.2642 *67 A 4.3236 8.3819 122.3755 52.4868 19.6631 176.8890 68 G 3.8174 8.4170 114.5249 48.2152 0.0000 173.3012 69 D 4.8779 8.7170 124.8677 53.4051 40.8312 175.4860 70 V 4.8486 7.4115 118.1857 59.1983 33.9387 175.1623 71 E 4.0902 8.9250 124.9759 56.8921 29.9814 176.2411 72 S 4.4231 9.2962 121.3142 59.9358 63.4220 173.3941 73 G 4.2503 7.4985 104.9881 46.1448 0.0000 172.0657 74 R 5.3350 8.5141 114.9165 54.8516 32.7453 174.3042 75 L 4.8744 9.1993 120.4260 53.0886 44.7638 175.2012 76 E 4.8223 9.1574 123.0907 55.8014 31.4279 176.8362 77 G 4.1921 10.5266 110.7391 45.7107 0.0000 173.3103 78 Y 5.1408 7.9440 118.2345 55.5347 38.7988 173.1378 79 P 3.6246 0.0000 0.0000 62.7479 32.3573 176.9514 80 G 4.0438 6.3167 105.6159 43.1465 0.0000 174.0671 81 E 4.2415 8.7316 119.5233 59.7824 29.2046 179.2972 82 D 4.7242 8.2881 115.9654 56.2131 41.0600 177.8744 83 F 4.2265 8.1579 118.1812 59.5916 39.4605 177.3854 84 F 4.2561 8.4303 118.8350 61.1283 39.5368 176.6290 85 W 4.6616 8.0407 118.0900 59.0934 29.1152 178.1281 86 P 4.6646 0.0000 0.0000 62.7706 30.7383 178.0312 *88 L 3.9938 8.1520 121.9023 56.0980 43.9499 178.0702 89 A 4.0227 8.1822 120.3657 55.2730 18.1974 179.4593 90 R 3.8370 8.0518 117.0222 59.6191 30.1000 178.7967 91 L 4.0055 7.7375 118.1409 57.8788 41.5168 179.2921 92 I 3.8371 7.9859 119.1045 64.3907 37.2056 178.4039 93 G 3.7437 8.2838 106.5955 47.8813 0.0000 175.5159 94 Q 4.0275 8.0650 120.5249 58.3835 29.1558 177.5198 95 A 4.3544 7.8234 120.8130 53.1869 19.6306 177.4009 96 E 4.3754 7.5668 118.7961 54.2416 30.1416 174.7254 *97 P 4.2215 0.0000 0.0000 62.0172 31.5257 176.8925 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 8.30 4.42 0.00 2.22 2.26 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 2.28 2.43 0.00 3 L 8.00 4.51 0.00 1.76 1.74 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.69 4.88 0.00 1.74 1.79 0.00 3.11 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 5 L 8.89 4.89 0.00 1.93 1.66 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.63 4.94 0.00 1.65 1.16 1.02 0.86 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 *8 F 8.40 4.62 0.00 2.86 2.94 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 9 E 9.14 5.21 0.00 1.75 1.74 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 2.02 2.03 0.00 10 Q 8.03 4.93 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.06 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 11 P 0.00 4.14 0.00 2.04 2.02 0.00 3.73 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 2.01 2.07 0.00 12 G 8.79 3.74 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 0.00 0.00 0.00 13 C 7.60 4.28 0.00 3.00 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 14 L 8.41 3.91 0.00 1.71 1.59 0.85 0.48 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 15 Y 8.06 4.06 0.00 3.22 3.24 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 16 C 8.28 4.08 0.00 3.14 3.15 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 0.00 0.00 0.00 0.00 17 A 8.03 4.02 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 18 R 8.33 3.93 0.00 2.28 2.30 0.00 2.91 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 19 W 8.25 3.26 0.00 2.88 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 20 D 8.40 4.35 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 21 A 7.91 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.79 4.24 0.00 2.03 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 2.33 2.43 0.00 23 I 6.95 3.77 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.01 -0.19 0.00 0.00 24 A 6.51 3.39 1.07 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 0.00 0.00 25 P 0.00 4.39 0.00 2.02 2.10 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 26 Q 8.03 4.18 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 27 Y 8.00 4.41 0.00 3.12 3.14 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 0.00 0.00 0.00 28 P 0.00 4.47 0.00 2.32 2.29 0.00 4.07 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 29 L 7.84 4.43 0.00 1.76 1.72 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 T 6.75 4.51 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 1.07 0.00 0.00 31 D 8.56 4.32 0.00 2.70 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 32 E 8.09 4.09 0.00 2.16 2.24 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 2.49 2.41 0.00 33 G 7.52 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 0.00 0.00 0.00 34 R 7.74 4.11 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 35 A 7.91 4.32 1.40 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 0.00 0.00 0.00 36 A 7.79 4.91 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 37 P 0.00 4.78 0.00 2.18 2.11 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 38 V 8.76 4.67 1.95 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 0.87 0.00 0.00 0.90 0.00 0.00 39 Q 8.99 4.54 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 40 R 8.59 4.33 0.00 1.61 1.72 0.00 3.16 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 41 L 7.65 4.58 0.00 0.76 1.30 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.15 4.90 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 *44 R 8.42 4.32 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 45 D 7.76 4.66 0.00 2.87 2.61 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 46 P 0.00 4.41 0.00 2.05 2.00 0.00 3.69 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 2.03 2.12 0.00 47 L 8.21 4.29 0.00 1.67 1.66 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.34 0.00 2.18 1.98 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 49 P 0.00 4.19 0.00 2.04 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 50 G 8.94 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 51 L 7.31 4.50 0.00 1.79 1.67 0.95 0.79 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 52 E 9.48 4.58 0.00 1.82 1.88 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 2.51 2.41 0.00 53 L 8.42 4.87 0.00 1.49 1.75 0.75 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 A 9.30 4.12 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 R 7.30 4.54 0.00 1.85 1.84 0.00 3.01 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 56 P 0.00 4.23 0.00 2.12 2.03 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 57 V 7.81 3.75 1.56 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 0.56 0.00 0.00 -0.36 0.00 0.00 58 T 8.41 4.56 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 1.17 0.00 0.00 59 F 7.89 4.74 0.00 2.90 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 60 T 7.28 4.63 4.09 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 1.13 0.00 0.00 61 P 0.00 4.87 0.00 1.37 1.93 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 62 T 8.10 4.99 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 1.28 0.00 0.00 63 F 9.53 4.94 0.00 2.93 2.95 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 64 V 9.21 4.72 2.31 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 1.12 0.00 0.00 1.07 0.00 0.00 65 L 9.14 5.01 0.00 1.86 1.58 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *67 A 8.38 4.32 1.33 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 0.00 0.00 68 G 8.42 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.72 4.88 0.00 2.73 2.92 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 0.00 0.00 0.00 70 V 7.41 4.85 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 0.77 0.00 0.00 1.00 0.00 0.00 71 E 8.93 4.09 0.00 1.97 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 2.35 2.29 0.00 72 S 9.30 4.42 0.00 3.85 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 73 G 7.50 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 0.00 0.00 0.00 0.00 74 R 8.51 5.34 0.00 1.96 2.04 0.00 2.96 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 75 L 9.20 4.87 0.00 1.85 1.75 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.16 4.82 0.00 1.65 1.65 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 2.22 2.27 0.00 77 G 10.53 4.19 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 0.00 78 Y 7.94 5.14 0.00 3.33 3.18 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 0.00 79 P 0.00 3.62 0.00 1.18 1.67 0.00 3.67 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 1.72 1.86 0.00 80 G 6.32 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 81 E 8.73 4.24 0.00 2.24 2.37 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 2.60 2.63 0.00 82 D 8.29 4.72 0.00 2.64 2.62 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 83 F 8.16 4.23 0.00 3.29 3.23 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 0.00 84 F 8.43 4.26 0.00 3.25 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 85 W 8.04 4.66 0.00 3.51 3.17 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 86 P 0.00 4.66 0.00 2.21 2.28 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 *88 L 8.15 3.99 0.00 0.99 1.72 0.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.18 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.84 0.00 1.91 1.94 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 91 L 7.74 4.01 0.00 1.91 1.72 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.99 3.84 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.64 0.94 0.00 0.00 93 G 8.28 3.74 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 0.00 0.00 0.00 94 Q 8.07 4.03 0.00 2.09 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 95 A 7.82 4.35 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 96 E 7.57 4.38 0.00 1.87 1.86 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 2.24 2.23 0.00 *97 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.