NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5400 8.3644 120.5335 53.9305 43.2935 175.1263 3 D 4.3009 7.8914 120.1062 51.7518 41.2241 171.7206 4 V 3.8106 9.2657 128.1337 63.8630 32.5527 176.4670 5 L 4.3933 8.1868 119.8064 55.9956 42.2366 177.5312 6 R 4.6469 7.8964 115.6964 56.1679 30.1186 177.4407 7 R 4.4967 8.0071 116.0126 56.3460 30.6855 175.7767 8 N 5.1433 7.7011 115.8656 49.9979 39.8445 173.8632 9 P 4.2812 0.0000 0.0000 65.6042 31.8095 177.8142 10 L 3.9404 8.0681 119.1054 57.5820 42.2525 177.4252 11 F 5.1377 8.3981 114.2986 57.1244 39.7103 177.2422 12 A 4.3684 8.0921 123.3886 54.1380 18.3537 179.0297 13 A 4.2079 8.0501 118.0762 54.6917 18.8956 178.2143 14 L 4.3732 7.6703 114.7160 55.2049 42.4926 177.1531 15 D 4.8021 8.9112 121.7927 52.2176 42.4855 177.3219 16 D 4.3776 8.5190 118.7878 57.6921 40.6960 178.8791 17 E 3.9924 8.2527 119.3830 59.1986 29.9026 178.5841 18 Q 4.2059 8.3116 117.0347 59.0245 28.6649 178.6919 19 S 4.0382 8.1020 117.2132 61.3000 62.9660 176.2033 20 A 3.9423 7.8185 123.0039 55.1005 18.1491 179.4949 21 E 3.7811 8.1135 116.9701 59.4219 29.3881 178.9478 22 L 3.2126 7.2465 118.6304 58.2339 42.0266 178.7084 23 R 3.8935 8.0026 116.1907 59.5088 30.2171 178.6600 24 A 4.1075 7.6138 117.4727 53.6653 19.2410 178.1830 25 S 4.2893 7.4383 115.0025 57.3458 62.5794 174.4458 *27 S 4.2628 7.3331 116.8962 58.1999 64.9081 174.4423 28 E 4.5951 8.7604 124.9762 56.1629 30.3653 175.8545 29 V 4.5717 9.2615 126.3022 61.3643 34.9960 174.0690 30 T 5.1011 8.5829 123.0647 61.7338 71.2890 173.2727 31 L 4.9812 8.8221 125.1666 52.8581 45.5773 175.7343 32 A 4.9117 9.2544 124.7763 50.2126 21.1423 176.6997 33 R 4.0117 7.3825 118.5979 57.7173 30.2434 177.0118 34 G 3.9895 8.8990 114.5057 45.0683 0.0000 173.3579 35 D 4.5335 8.3686 120.1631 54.7568 42.2042 175.3561 36 T 4.5709 8.1145 117.9093 62.2545 69.3412 174.6905 37 L 4.0164 8.7710 130.1246 57.7159 42.7103 176.6455 38 F 4.8457 7.0200 110.4986 56.5616 40.9481 172.3838 39 H 5.3234 9.2510 117.2760 53.6669 31.2281 174.3865 40 E 4.4887 8.3165 122.9679 57.4436 29.8852 176.0343 41 G 4.1219 9.3314 114.2725 45.4376 0.0000 173.6869 42 D 4.5140 7.9407 118.6300 54.1707 42.0324 175.1622 43 P 4.5146 0.0000 0.0000 62.8370 32.2469 175.9414 44 G 4.1776 9.0167 111.0805 44.1435 0.0000 172.6371 45 D 5.0544 8.4914 121.1293 52.4952 41.6711 174.5505 46 R 5.0044 7.9554 113.8271 55.0546 32.6541 174.3245 47 L 4.8655 8.2400 121.1953 54.8571 43.1869 174.8195 48 Y 5.2403 8.9877 117.3618 56.2780 42.3283 174.6812 49 V 4.7843 8.6109 122.4684 60.8214 34.1678 175.0775 50 V 4.1939 8.6371 129.2792 63.7783 31.7579 176.2855 51 T 4.7080 9.0292 118.3055 62.7273 70.7834 174.4730 52 E 4.5820 8.1284 117.8104 56.2384 32.9421 175.9551 53 G 4.0616 9.1708 107.2824 45.7753 0.0000 172.2164 54 K 4.8572 8.6056 116.4829 54.4273 36.1847 175.9711 55 V 4.6893 8.5982 124.0551 60.8848 34.2989 174.0920 56 K 4.7519 9.1790 130.1401 55.6834 33.7581 175.0110 57 L 5.3574 9.1490 128.2569 53.3407 43.9140 175.2542 58 H 5.5234 8.9147 118.9259 53.9258 32.4888 172.4976 59 R 5.1625 9.1835 116.7225 54.8591 33.2804 173.9192 60 T 5.0837 8.6590 116.0862 62.0157 70.5710 174.4811 61 S 4.4179 8.7112 120.8035 56.5586 64.8684 172.8799 62 P 3.9017 0.0000 0.0000 65.7986 31.6942 177.1626 63 D 4.4209 7.8070 120.3641 54.9613 39.6201 176.9291 64 G 3.8772 8.3026 109.1669 45.6183 0.0000 173.8317 65 R 4.2319 7.9680 121.2287 54.4985 31.0767 174.8522 66 E 4.2109 8.8603 128.7185 57.0483 30.2077 174.8196 67 N 4.9614 9.1375 128.6390 51.9308 42.0320 174.0254 *69 L 4.1734 8.5648 118.1725 54.9066 43.9284 176.8073 70 A 4.5619 7.6771 116.9087 51.0548 23.2286 175.2572 71 V 4.7100 8.4336 119.4413 61.1238 33.8753 174.8367 72 V 4.2823 9.0986 128.9224 61.3611 33.6706 174.9250 73 G 4.7107 9.2457 115.9718 43.3430 0.0000 170.2031 74 P 4.5968 0.0000 0.0000 64.3757 31.5537 176.8795 75 S 4.1895 9.2710 115.5905 58.6945 62.3566 169.7309 76 E 4.8238 7.8218 119.7930 55.0624 32.1525 174.9263 77 L 5.2423 8.4358 121.6268 53.6836 43.8383 175.9923 78 I 4.5076 8.6523 122.8351 59.9600 41.0489 176.1482 79 G 4.0230 8.9401 114.2451 46.6932 0.0000 175.4165 80 E 3.8662 8.5747 121.3371 59.2336 29.6005 177.4453 81 L 4.3887 7.8169 116.6488 56.2879 41.8096 178.6930 82 S 4.1419 7.6945 112.7678 61.0315 62.2423 175.4332 83 L 3.8687 7.2344 122.6034 57.7984 41.8079 178.2819 84 F 4.9590 7.5942 115.3497 58.0770 40.7659 175.4861 85 D 4.7183 8.2914 117.4209 50.6001 41.0163 171.9200 86 P 4.3984 0.0000 0.0000 63.0159 32.4782 175.5254 87 G 4.0669 8.2349 108.9352 45.1402 0.0000 170.2341 88 P 4.8846 0.0000 0.0000 62.4671 31.9892 176.7366 89 R 3.8045 8.7501 123.4954 56.9242 30.7428 177.3772 90 T 4.1408 8.6438 112.5370 62.0961 69.4302 173.5198 91 A 4.5421 7.3477 122.3610 51.9636 22.8974 175.1858 92 T 4.6613 8.8016 116.9138 62.3470 70.7711 174.3992 93 G 3.9141 8.2847 113.5388 44.7191 0.0000 172.4075 94 T 5.0938 8.7285 122.7623 61.1650 71.9510 173.5400 95 A 4.4122 8.7323 128.9453 52.3111 18.7462 178.0953 96 L 4.2455 9.0727 123.7973 56.6099 42.9967 176.3653 97 T 4.6717 7.3937 107.4877 59.7288 72.9209 172.3075 98 E 4.2134 8.7263 122.0121 56.6749 30.7305 175.9554 99 V 4.7452 8.8713 126.0022 61.0344 35.4908 174.1095 100 K 5.1335 9.2128 125.8012 54.7006 35.6632 175.2156 101 L 5.3150 9.1025 122.9820 53.0822 46.6611 175.1086 102 L 5.2468 8.7196 120.4241 53.0349 44.2461 175.3729 103 A 4.9405 8.9819 125.5241 49.8813 21.6486 175.3814 104 L 4.4446 8.6060 123.8451 53.1745 44.9050 176.2741 105 G 4.1312 9.0551 115.7878 44.3856 0.0000 173.5800 106 H 4.2402 9.1739 120.5879 59.2820 29.5166 177.9579 107 G 3.7013 8.0356 105.6002 47.2108 0.0000 174.4607 108 D 4.6087 8.1336 120.2509 55.5616 40.9944 178.3694 109 L 4.1614 7.6637 121.7517 58.2498 42.2183 178.4099 110 Q 3.9785 8.0553 118.9053 58.9480 28.9317 176.4285 111 P 4.3061 0.0000 0.0000 65.1980 31.3054 178.4576 112 W 4.3723 8.1246 127.2329 60.6821 30.8279 178.2126 113 L 4.0695 8.2058 118.8743 57.6826 40.7189 179.2774 114 N 4.3761 8.2144 116.0472 55.9061 38.4735 176.9665 115 V 4.0470 7.4136 118.8558 63.6972 33.5031 176.2841 116 R 4.6864 8.1193 118.4997 52.9617 30.0254 174.1047 117 P 4.7676 0.0000 0.0000 65.0512 31.8647 178.1116 118 E 4.0644 8.0214 115.9416 58.1532 29.6935 178.8050 119 V 3.5443 7.4926 119.1218 65.4307 31.3343 177.5158 120 A 3.8671 7.5331 121.1799 55.3879 18.1564 179.6982 121 T 3.7844 7.5123 107.0770 64.6870 68.9312 176.8632 122 A 3.9639 7.8417 123.2200 54.8693 18.4298 179.4853 123 L 3.9196 7.9860 117.5444 57.8338 41.6314 179.4818 124 L 3.7756 7.9119 119.0708 57.8226 41.4857 179.6207 125 R 3.8037 8.1259 118.2779 59.3589 30.0381 178.4874 126 A 3.9513 7.7425 120.1163 55.1224 18.3649 179.8610 127 V 3.4802 7.8849 116.6744 65.9740 31.5884 178.1410 128 A 3.9728 8.2342 120.9383 54.9589 18.1523 179.6638 129 R 3.7810 8.3873 117.7384 59.5777 29.7556 178.6028 130 R 3.9154 7.6952 117.5377 59.5892 30.1301 178.7549 131 L 4.0124 7.8884 119.7034 57.9474 41.9824 178.9828 132 R 3.8572 8.3404 119.1885 59.4631 30.0102 178.7475 133 K 3.8814 8.1658 118.3034 59.6331 31.7499 178.9801 134 T 3.9894 7.3305 114.0844 67.1548 68.4990 175.3448 135 N 4.4004 8.0876 118.1310 57.0154 39.0493 176.5109 136 D 4.4811 8.5244 119.7260 57.1524 41.0912 178.1067 137 A 4.1017 8.4327 119.4676 54.0239 18.3130 177.9932 *139 S 4.3236 7.7148 112.4991 58.2500 64.5700 175.0937 140 D 4.5537 8.0075 119.4843 54.2032 39.9591 177.6508 *144 S 4.3385 7.7342 110.9434 58.5933 63.8562 173.1785 145 D 4.7508 7.5793 115.3848 53.6061 40.4111 177.6514 146 G 3.8426 8.1757 106.6184 45.8746 0.0000 174.4088 147 S 4.5841 8.2400 120.8272 58.7543 63.6700 169.5672 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 D 8.36 4.54 0.00 2.67 2.81 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 3 D 7.89 4.30 0.00 2.80 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 4 V 9.27 3.81 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 0.78 0.00 0.00 0.95 0.00 0.00 5 L 8.19 4.39 0.00 1.82 1.68 0.64 0.53 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 6 R 7.90 4.65 0.00 1.91 1.98 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 7 R 8.01 4.50 0.00 1.84 2.00 0.00 3.18 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 8 N 7.70 5.14 0.00 2.93 2.95 0.00 0.00 6.22 7.76 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 9 P 0.00 4.28 0.00 2.05 2.16 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 L 8.07 3.94 0.00 1.51 1.35 0.95 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.40 5.14 0.00 3.44 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 12 A 8.09 4.37 1.43 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 0.00 0.00 13 A 8.05 4.21 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 14 L 7.67 4.37 0.00 1.80 1.74 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.91 4.80 0.00 2.96 2.84 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 16 D 8.52 4.38 0.00 2.72 2.78 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 17 E 8.25 3.99 0.00 2.05 1.96 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 2.40 2.37 0.00 18 Q 8.31 4.21 0.00 2.54 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 19 S 8.10 4.04 0.00 3.96 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 20 A 7.82 3.94 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 21 E 8.11 3.78 0.00 2.06 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 2.34 2.44 0.00 22 L 7.25 3.21 0.00 1.11 1.61 -0.31 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.00 3.89 0.00 1.92 1.91 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 24 A 7.61 4.11 1.30 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 0.00 0.00 25 S 7.44 4.29 0.00 3.85 3.67 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 *27 S 7.33 4.26 0.00 3.80 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 28 E 8.76 4.60 0.00 1.97 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 2.29 2.30 0.00 29 V 9.26 4.57 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 1.00 0.00 0.00 1.09 0.00 0.00 30 T 8.58 5.10 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 1.19 0.00 0.00 31 L 8.82 4.98 0.00 1.47 1.43 0.73 0.40 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 32 A 9.25 4.91 1.23 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 0.00 0.00 33 R 7.38 4.01 0.00 1.77 1.88 0.00 3.13 0.00 0.00 3.06 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 34 G 8.90 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 35 D 8.37 4.53 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.11 4.57 4.14 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 0.91 0.00 0.00 37 L 8.77 4.02 0.00 1.11 0.83 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.02 4.85 0.00 3.00 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 39 H 9.25 5.32 0.00 3.61 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.32 4.49 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 2.35 2.34 0.00 41 G 9.33 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.51 0.00 2.86 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 43 P 0.00 4.51 0.00 1.92 1.97 0.00 3.63 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 2.09 0.00 44 G 9.02 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 0.00 0.00 0.00 0.00 45 D 8.49 5.05 0.00 2.65 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 46 R 7.96 5.00 0.00 1.55 1.70 0.00 3.06 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.00 47 L 8.24 4.87 0.00 1.95 1.86 1.02 0.83 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 48 Y 8.99 5.24 0.00 2.92 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 49 V 8.61 4.78 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 1.07 0.00 0.00 1.09 0.00 0.00 50 V 8.64 4.19 2.30 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 0.74 0.00 0.00 0.92 0.00 0.00 51 T 9.03 4.71 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 1.22 0.00 0.00 52 E 8.13 4.58 0.00 2.01 2.03 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 2.26 2.30 0.00 53 G 9.17 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.61 4.86 0.00 1.65 1.63 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 55 V 8.60 4.69 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 0.68 0.00 0.00 0.79 0.00 0.00 56 K 9.18 4.75 0.00 1.81 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.49 1.44 7.81 57 L 9.15 5.36 0.00 1.59 1.59 0.99 0.79 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 58 H 8.91 5.52 0.00 3.32 3.34 0.00 5.40 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.18 5.16 0.00 2.25 2.07 0.00 2.89 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 60 T 8.66 5.08 4.27 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 1.23 0.00 0.00 61 S 8.71 4.42 0.00 3.89 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 62 P 0.00 3.90 0.00 2.10 1.98 0.00 3.74 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 2.14 0.00 63 D 7.81 4.42 0.00 2.76 2.80 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 0.00 0.00 0.00 64 G 8.30 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.97 4.23 0.00 2.06 1.85 0.00 3.19 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 66 E 8.86 4.21 0.00 2.00 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 2.21 2.34 0.00 67 N 9.14 4.96 0.00 2.96 2.80 0.00 0.00 6.43 6.69 0.00 0.00 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 8.56 4.17 0.00 1.70 1.90 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.68 4.56 1.23 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 0.00 0.00 71 V 8.43 4.71 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 0.81 0.00 0.00 0.93 0.00 0.00 72 V 9.10 4.28 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 0.99 0.00 0.00 0.95 0.00 0.00 73 G 9.25 4.71 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 0.00 0.00 0.00 74 P 0.00 4.60 0.00 2.06 2.18 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 75 S 9.27 4.19 0.00 4.14 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 4.82 0.00 2.14 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 2.26 2.28 0.00 77 L 8.44 5.24 0.00 1.57 1.65 0.88 0.89 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 78 I 8.65 4.51 2.17 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 1.26 0.00 0.00 79 G 8.94 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 80 E 8.57 3.87 0.00 2.05 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 2.47 2.43 0.00 81 L 7.82 4.39 0.00 1.76 1.76 0.95 0.92 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 82 S 7.69 4.14 0.00 3.80 4.07 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 83 L 7.23 3.87 0.00 1.26 1.03 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.59 4.96 0.00 3.15 3.08 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 85 D 8.29 4.72 0.00 2.57 2.56 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 86 P 0.00 4.40 0.00 1.90 2.02 0.00 3.63 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 1.82 2.18 0.00 87 G 8.23 4.07 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 0.00 88 P 0.00 4.88 0.00 2.06 2.16 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 89 R 8.75 3.80 0.00 1.75 1.73 0.00 2.21 0.00 0.00 2.67 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.22 0.00 90 T 8.64 4.14 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 1.20 0.00 0.00 91 A 7.35 4.54 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 92 T 8.80 4.66 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 1.23 0.00 0.00 93 G 8.28 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 94 T 8.73 5.09 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 1.23 0.00 0.00 95 A 8.73 4.41 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 96 L 9.07 4.25 0.00 1.59 1.71 0.90 0.80 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 97 T 7.39 4.67 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 1.19 0.00 0.00 98 E 8.73 4.21 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 2.36 2.56 0.00 99 V 8.87 4.75 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 0.98 0.00 0.00 0.91 0.00 0.00 100 K 9.21 5.13 0.00 1.65 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 101 L 9.10 5.31 0.00 1.67 1.63 0.78 0.21 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 0.00 102 L 8.72 5.25 0.00 1.59 1.50 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.98 4.94 1.05 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 0.00 0.00 104 L 8.61 4.44 0.00 1.59 1.42 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.06 4.13 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 0.00 0.00 0.00 106 H 9.17 4.24 0.00 3.25 3.33 0.00 5.79 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 0.00 107 G 8.04 3.70 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 0.00 0.00 0.00 108 D 8.13 4.61 0.00 2.81 2.68 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 0.00 109 L 7.66 4.16 0.00 1.92 1.76 1.31 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.06 3.98 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 111 P 0.00 4.31 0.00 2.26 2.13 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 112 W 8.12 4.37 0.00 3.36 3.37 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 0.00 113 L 8.21 4.07 0.00 1.69 1.60 0.90 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.21 4.38 0.00 2.89 2.90 0.00 0.00 6.93 7.29 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 0.00 115 V 7.41 4.05 2.21 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 0.90 0.00 0.00 1.05 0.00 0.00 116 R 8.12 4.69 0.00 1.67 1.69 0.00 3.41 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 117 P 0.00 4.77 0.00 2.21 2.26 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 118 E 8.02 4.06 0.00 2.21 2.20 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 2.33 2.39 0.00 119 V 7.49 3.54 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 0.13 0.00 0.00 0.78 0.00 0.00 120 A 7.53 3.87 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 0.00 121 T 7.51 3.78 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 1.16 0.00 0.00 122 A 7.84 3.96 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 0.00 123 L 7.99 3.92 0.00 1.60 1.58 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.91 3.78 0.00 1.72 1.63 0.84 0.58 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 0.00 125 R 8.13 3.80 0.00 1.90 2.04 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 126 A 7.74 3.95 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 0.00 127 V 7.88 3.48 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 0.91 0.00 0.00 0.63 0.00 0.00 128 A 8.23 3.97 1.30 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 0.00 0.00 129 R 8.39 3.78 0.00 2.02 1.91 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 130 R 7.70 3.92 0.00 2.05 1.99 0.00 3.34 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 131 L 7.89 4.01 0.00 1.75 1.80 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.34 3.86 0.00 1.88 2.09 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 133 K 8.17 3.88 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 134 T 7.33 3.99 4.49 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 1.21 0.00 0.00 135 N 8.09 4.40 0.00 2.72 3.03 0.00 0.00 7.41 8.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.52 4.48 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 0.00 137 A 8.43 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 *139 S 7.71 4.32 0.00 3.90 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 0.00 140 D 8.01 4.55 0.00 2.64 2.68 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 *144 S 7.73 4.34 0.00 4.00 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 0.00 145 D 7.58 4.75 0.00 2.72 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 0.00 146 G 8.18 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 0.00 147 S 8.24 4.58 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.