NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3235 8.2493 123.5823 50.8867 19.9456 176.4806 2 P 4.3225 0.0000 0.0000 63.1009 31.4514 174.7876 3 Q 4.4018 8.4982 118.4048 56.5548 30.7612 176.6333 4 N 4.7776 7.4477 114.7684 50.7718 41.1325 174.8071 5 I 3.6745 8.2066 119.6130 64.3982 37.8776 177.8336 6 T 3.8448 7.8696 116.3115 66.5451 68.1824 176.4162 7 E 3.9430 8.3483 119.3974 59.1571 29.7569 178.7872 8 L 4.1411 7.8266 120.2380 58.5198 42.2403 178.2954 9 C 4.3271 8.4534 118.5193 59.8057 43.3391 175.5870 10 S 4.0117 8.0850 115.5464 60.8950 62.4573 175.7286 11 E 4.0056 7.9568 119.9859 56.8586 29.6041 176.0890 12 Y 4.7568 7.0917 116.3524 56.0908 40.6047 175.3117 13 H 4.5642 8.7619 119.5085 56.8317 29.8099 175.1933 14 N 4.4406 9.0359 117.3326 54.7952 35.7340 173.8137 15 T 5.3706 7.2624 103.9265 60.3561 71.7711 172.9258 16 Q 4.6060 8.8510 119.1583 55.0391 32.5395 173.2896 17 I 4.6010 8.1398 121.4190 60.7580 38.5383 174.6582 18 Y 4.3407 9.0223 125.4190 56.6739 39.9287 174.9062 19 T 4.5037 8.5427 121.7282 62.8737 68.8839 174.1672 20 I 3.8979 8.8339 128.0154 61.9500 38.3973 177.0172 21 N 4.1410 7.8847 116.1040 53.2655 36.0802 172.7905 22 D 4.6712 7.8182 115.7344 52.8081 45.0934 174.5025 23 K 4.9147 8.3274 122.0420 55.7643 33.5054 176.6824 24 I 3.5117 8.1780 121.1047 61.2433 37.7197 176.1408 25 L 4.4109 8.3971 128.5796 57.6514 42.6887 177.1235 26 S 4.6161 7.6431 111.4280 56.5639 66.8024 172.1674 27 Y 4.8514 7.7775 122.1322 56.0471 41.1928 174.5952 28 T 4.4608 7.8849 122.4032 61.6070 72.5648 172.5832 29 E 4.9282 8.4222 125.0930 54.5288 33.3448 174.1377 30 S 4.7780 8.9034 120.3383 56.4230 65.5930 174.0497 31 L 4.5023 8.6242 125.0382 55.1608 41.2065 176.4287 32 A 4.0597 7.7706 123.8558 51.8152 18.8695 177.5287 33 G 3.9177 8.5663 110.7230 47.2623 0.0000 174.3449 34 K 4.0760 8.5332 121.3299 56.8191 31.2202 176.5493 35 R 4.6722 7.9075 118.2207 55.8093 31.1463 177.0450 36 E 5.1061 8.3260 118.7625 55.5920 28.4617 175.9634 37 M 5.0740 8.1130 120.2243 53.3593 35.8969 173.8148 38 A 5.1164 8.3985 119.8018 50.1348 22.6198 175.2437 39 I 5.0384 8.4003 121.6403 59.3414 41.0376 174.7499 40 I 5.0391 8.9996 119.7802 59.2274 41.0627 174.3789 41 T 5.0716 8.2091 112.8481 60.0165 72.4262 172.5512 42 F 5.1818 8.7264 120.1641 55.2413 42.5569 176.3920 43 K 3.9028 9.2088 122.0078 59.6068 32.0024 177.3580 44 N 4.5586 8.2355 113.3855 53.3568 37.4059 175.6866 45 G 3.8970 8.4072 107.8995 44.9624 0.0000 173.6837 46 A 3.9969 8.4786 122.6858 51.8025 19.7528 176.7659 47 T 4.7995 7.6738 117.5078 61.6464 71.5363 173.5061 48 F 5.3458 9.2926 124.6288 55.6345 43.4362 173.9673 49 Q 5.1765 9.0709 118.7309 54.5364 31.8837 174.4122 50 V 4.6150 8.4422 120.8152 61.1499 32.9969 175.1347 51 E 4.2957 9.0980 130.2334 56.9387 30.2907 178.0848 52 V 4.0781 8.6304 122.1426 60.2979 32.0619 174.4177 53 P 4.3580 0.0000 0.0000 62.4461 31.5461 176.7086 54 G 4.0117 8.2109 105.6356 46.2362 0.0000 173.1001 *61 Q 4.3551 8.1594 121.7698 56.3620 31.1894 178.3278 62 K 4.0458 8.2697 124.7008 60.4298 31.6939 183.2763 63 K 4.2181 8.0761 124.6724 59.5788 31.6552 180.7158 64 A 4.2529 7.9781 121.4931 55.0120 18.3779 179.6955 65 I 3.7555 8.1189 118.7532 64.4707 37.1308 178.5510 66 E 4.0045 8.1303 119.1317 59.3050 29.2586 179.1540 67 R 3.9013 8.3645 119.2188 59.6782 30.0047 178.2267 68 M 4.0449 8.2461 117.8886 58.6319 32.2568 178.2702 69 K 4.0555 7.9708 118.1678 59.5666 32.2291 178.9843 70 D 4.3338 8.1827 119.0585 57.7399 40.7160 178.9437 71 T 3.8802 8.2404 116.4706 66.7544 68.4939 176.7108 72 L 4.0587 8.2708 121.1045 57.6196 41.5973 179.6197 73 R 2.8657 7.8098 118.6757 59.1524 29.9542 178.4942 74 I 3.6049 7.7443 118.2257 63.7753 37.8755 177.4048 75 A 3.9641 8.2860 122.1706 55.4431 18.1930 178.9550 76 Y 3.9195 7.9804 117.6323 61.0102 38.7145 178.4422 77 L 3.8003 7.8817 118.5883 57.1550 41.7882 178.5887 78 T 4.1835 7.8281 107.3187 60.6992 69.4010 174.3275 79 E 3.5968 7.6385 119.4024 57.3231 27.3734 174.4122 80 A 4.1654 8.0301 120.8702 51.6211 19.8130 177.8791 81 K 4.4646 8.6898 124.4247 56.3815 33.7077 175.7366 82 V 3.8348 8.7822 128.8868 62.5133 32.3666 175.2291 83 E 4.3787 9.3875 131.5441 57.5219 29.6024 175.6713 84 K 5.1446 8.6053 117.0508 54.4552 37.2553 174.6749 85 L 4.9498 8.7280 122.4704 53.0530 45.1077 174.5916 86 C 5.0415 8.7090 124.1097 55.3799 45.3378 172.7487 87 V 4.8425 8.5588 119.0690 59.0744 35.9780 174.8622 88 W 4.9719 9.2582 124.7358 56.7630 29.8014 176.4497 89 N 4.9572 9.3982 122.4460 52.5667 37.6166 175.0845 90 N 4.8860 8.2596 116.3710 52.8729 37.7700 174.6495 91 K 4.7138 7.8939 117.3601 55.2113 35.7287 175.1076 92 T 4.6491 8.2273 117.6952 60.9869 70.7348 172.5540 93 P 4.5317 0.0000 0.0000 62.0765 32.5485 176.0211 94 N 4.9955 8.7752 118.2050 53.5791 40.0684 173.7683 95 S 5.3557 8.9384 117.0416 56.6806 64.6662 173.1845 96 I 4.0776 8.9487 129.1124 61.6179 36.7029 175.5498 97 A 4.2064 8.6135 129.1840 53.2207 20.3950 176.6424 98 A 4.5403 7.1879 114.1365 51.0715 22.7659 175.2540 99 I 5.1160 8.1428 118.7816 59.2345 41.4804 174.4540 100 S 4.9174 9.1055 122.6939 56.7722 66.1663 172.6613 101 M 5.2124 8.4434 120.2819 53.6892 35.2539 175.4354 102 A 4.1136 8.1994 124.6265 52.8110 19.6250 175.8860 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 A 8.25 4.32 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 2 P 0.00 4.32 0.00 2.28 2.12 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 3 Q 8.50 4.40 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 4 N 7.45 4.78 0.00 2.93 2.88 0.00 0.00 5.89 7.66 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 5 I 8.21 3.67 1.83 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 1.57 1.51 0.87 0.00 0.00 6 T 7.87 3.84 4.34 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 1.18 0.00 0.00 7 E 8.35 3.94 0.00 2.07 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 2.47 0.00 8 L 7.83 4.14 0.00 1.87 1.87 0.95 0.86 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 9 C 8.45 4.33 0.00 3.16 3.16 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 0.00 0.00 0.00 10 S 8.08 4.01 0.00 4.00 3.89 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 0.00 0.00 0.00 11 E 7.96 4.01 0.00 1.70 1.58 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 2.24 2.52 0.00 12 Y 7.09 4.76 0.00 3.10 3.05 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 13 H 8.76 4.56 0.00 3.34 3.30 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.04 4.44 0.00 3.23 3.12 0.00 0.00 6.50 7.05 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 15 T 7.26 5.37 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 0.92 0.00 0.00 16 Q 8.85 4.61 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 17 I 8.14 4.60 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.84 0.00 0.00 18 Y 9.02 4.34 0.00 2.81 2.88 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 19 T 8.54 4.50 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 1.18 0.00 0.00 20 I 8.83 3.90 1.70 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 0.98 0.15 0.16 0.00 0.00 21 N 7.88 4.14 0.00 2.77 2.80 0.00 0.00 6.62 8.06 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 22 D 7.82 4.67 0.00 2.91 2.55 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 23 K 8.33 4.91 0.00 1.94 1.84 0.00 1.21 0.00 0.00 0.94 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 24 I 8.18 3.51 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.88 0.00 0.00 25 L 8.40 4.41 0.00 1.68 1.70 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.64 4.62 0.00 3.78 3.80 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 27 Y 7.78 4.85 0.00 2.44 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 0.00 0.00 0.00 28 T 7.88 4.46 3.98 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 0.00 0.00 1.06 0.00 0.00 29 E 8.42 4.93 0.00 1.73 1.70 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 2.19 2.31 0.00 30 S 8.90 4.78 0.00 3.85 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 31 L 8.62 4.50 0.00 1.76 1.74 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.77 4.06 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 33 G 8.57 3.92 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 0.00 0.00 0.00 34 K 8.53 4.08 0.00 2.04 1.99 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 R 7.91 4.67 0.00 1.81 1.86 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 36 E 8.33 5.11 0.00 1.97 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 2.39 2.20 0.00 37 M 8.11 5.07 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 38 A 8.40 5.12 1.19 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 39 I 8.40 5.04 1.70 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 1.22 0.62 0.85 0.00 0.00 40 I 9.00 5.04 1.70 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.99 0.00 0.00 41 T 8.21 5.07 4.15 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 1.10 0.00 0.00 42 F 8.73 5.18 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 3.90 0.00 1.80 2.10 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 44 N 8.24 4.56 0.00 2.91 2.97 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.41 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 0.00 0.00 0.00 46 A 8.48 4.00 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 47 T 7.67 4.80 4.03 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 1.09 0.00 0.00 48 F 9.29 5.35 0.00 2.94 2.88 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 49 Q 9.07 5.18 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 50 V 8.44 4.61 2.13 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 1.01 0.00 0.00 1.00 0.00 0.00 51 E 9.10 4.30 0.00 1.91 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 2.41 2.38 0.00 52 V 8.63 4.08 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 53 P 0.00 4.36 0.00 2.17 2.09 0.00 3.70 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 1.99 1.98 0.00 54 G 8.21 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 0.00 0.00 0.00 *61 Q 8.16 4.36 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 62 K 8.27 4.05 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.08 7.81 63 K 8.08 4.22 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.08 7.81 64 A 7.98 4.25 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 65 I 8.12 3.76 2.04 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 1.58 1.05 0.94 0.00 0.00 66 E 8.13 4.00 0.00 2.16 2.01 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 2.57 2.47 0.00 67 R 8.36 3.90 0.00 1.86 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 68 M 8.25 4.04 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 69 K 7.97 4.06 0.00 2.05 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.67 7.81 70 D 8.18 4.33 0.00 2.93 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 71 T 8.24 3.88 4.42 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 1.23 0.00 0.00 72 L 8.27 4.06 0.00 1.87 1.93 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.81 2.87 0.00 1.45 1.86 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.00 74 I 7.74 3.60 1.83 0.00 0.00 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 1.43 1.24 0.97 0.00 0.00 75 A 8.29 3.96 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 76 Y 7.98 3.92 0.00 3.14 3.07 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 77 L 7.88 3.80 0.00 1.60 1.65 0.90 0.86 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 78 T 7.83 4.18 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 1.17 0.00 0.00 79 E 7.64 3.60 0.00 2.07 2.02 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 2.06 2.05 0.00 80 A 8.03 4.17 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 81 K 8.69 4.46 0.00 1.88 1.83 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.52 7.81 82 V 8.78 3.83 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 0.83 0.00 0.00 1.19 0.00 0.00 83 E 9.39 4.38 0.00 2.08 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 2.27 2.27 0.00 84 K 8.61 5.14 0.00 1.68 1.56 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.73 4.95 0.00 1.13 1.08 0.45 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.71 5.04 0.00 2.86 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 87 V 8.56 4.84 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 0.31 0.00 0.00 1.27 0.00 0.00 88 W 9.26 4.97 0.00 3.42 3.27 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 89 N 9.40 4.96 0.00 2.81 3.17 0.00 0.00 7.04 8.30 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 90 N 8.26 4.89 0.00 2.89 3.02 0.00 0.00 5.91 7.13 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 91 K 7.89 4.71 0.00 1.93 1.75 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 92 T 8.23 4.65 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 93 P 0.00 4.53 0.00 2.02 2.06 0.00 3.70 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 1.99 2.07 0.00 94 N 8.78 5.00 0.00 3.05 3.11 0.00 0.00 7.13 7.57 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 95 S 8.94 5.36 0.00 4.07 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 96 I 8.95 4.08 1.91 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 0.99 0.79 0.87 0.00 0.00 97 A 8.61 4.21 -0.07 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 98 A 7.19 4.54 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 99 I 8.14 5.12 1.85 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 1.40 0.98 0.91 0.00 0.00 100 S 9.11 4.92 0.00 3.85 3.87 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 0.00 101 M 8.44 5.21 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.20 4.11 1.22 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 * Residues marked with a * may have inaccurate shift predictions.