NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.5734 8.1693 120.6535 54.6622 43.7715 177.1987 6 S 4.3446 8.2113 111.1429 58.0075 63.8746 172.4787 7 G 4.1490 8.4753 111.6389 44.6250 0.0000 174.3681 8 T 4.0149 8.3836 115.6790 63.5641 69.2270 174.0619 9 W 5.0349 8.6971 125.3353 55.3154 31.8476 174.5545 10 Y 5.1910 9.0212 121.7307 56.4365 40.0870 175.3779 11 V 5.0072 8.8434 116.8611 59.4161 36.2815 174.3927 12 L 5.0744 8.5789 121.8345 53.8994 42.5711 176.0901 13 E 4.8403 9.4634 124.8015 55.5327 32.9641 173.4581 14 G 3.7026 9.0727 114.7611 46.2133 0.0000 176.2659 15 D 4.5873 7.2516 124.5294 53.4149 42.4543 175.8411 16 P 3.8846 0.0000 0.0000 64.2292 32.0390 178.1322 17 G 4.1693 7.6694 105.6648 45.1794 0.0000 171.8064 18 E 4.4579 8.5204 120.0201 55.2282 31.2084 175.5300 19 H 5.3507 8.6378 119.6629 53.9234 33.1844 172.2645 20 L 4.6540 8.5533 121.4194 53.7684 43.0354 175.5340 21 V 4.6726 8.4568 125.7472 61.0379 34.4122 174.5152 22 V 4.4275 8.8265 127.2679 61.1109 34.6813 174.0016 23 E 5.3159 9.0406 126.6606 54.5080 30.4865 174.9366 24 A 4.5010 8.3634 126.1170 51.4408 22.2661 174.9649 25 L 3.6663 9.0461 115.9347 56.2088 39.0574 175.4611 26 G 4.0115 8.5001 102.1951 46.1321 0.0000 173.0979 27 E 4.5959 7.9705 118.7353 54.2381 33.1045 173.9777 28 R 4.6806 8.3312 119.9758 54.8814 31.4801 175.8151 29 L 5.4339 8.9379 124.3539 52.3780 45.3844 175.7276 30 S 5.0191 8.1995 114.3800 56.8844 66.5189 172.2053 31 G 3.8858 8.4753 105.4195 44.5354 0.0000 172.3233 32 I 4.8542 7.5316 122.4262 58.9174 41.2947 174.4204 33 W 5.1018 9.2612 125.2357 55.2407 32.1738 177.0443 34 T 4.3206 9.9426 119.7322 65.7520 68.7230 175.8516 35 S 4.4286 7.7434 115.1919 55.4411 67.4077 174.7529 36 R 3.3064 7.1552 122.9765 59.2363 29.8127 178.7473 37 E 3.8851 7.7764 117.1052 59.2037 29.6239 178.9875 38 L 3.9655 8.0087 119.8070 57.4127 41.6531 179.2820 39 A 2.5800 7.6470 120.4135 54.6470 18.3034 179.5853 40 E 3.8378 8.1802 116.9213 59.1889 29.4346 179.4263 41 A 3.8634 7.9294 121.1270 54.8711 18.1777 179.4269 42 F 3.9961 7.4153 118.2622 61.5251 39.7957 177.1279 43 L 4.0865 7.9585 118.3976 57.5696 41.1218 179.3056 44 A 3.9526 8.1094 120.4875 55.4428 18.4489 178.8997 45 H 4.4567 7.9071 112.0088 57.1124 30.5563 175.3886 46 H 4.9083 7.8347 117.6003 53.3538 29.3745 172.4420 47 P 4.3033 0.0000 0.0000 65.6819 31.9941 179.1747 48 H 4.3919 8.2700 112.6989 58.1825 28.8063 176.5243 49 L 3.8181 7.4806 119.6512 55.9442 41.4493 175.9347 50 G 3.6427 7.2563 107.7741 45.6946 0.0000 172.4851 *52 R 4.1631 7.6503 124.0761 56.1939 32.5569 173.6740 53 V 4.8270 8.2200 119.4303 61.6186 33.1506 174.9052 54 S 4.9370 9.3412 123.5243 56.6377 66.0239 173.0055 55 A 4.3444 8.6511 125.8803 51.2326 19.8932 177.4824 56 L 4.5638 8.9311 123.3710 52.8660 41.4937 176.8112 57 E 3.8950 8.3135 120.4568 57.5505 31.1087 178.6324 58 S 4.5104 7.4671 114.1132 56.9492 66.0867 174.9253 59 R 3.6689 8.2367 122.0950 59.2800 29.8753 178.5043 60 A 3.9478 7.8329 120.1077 55.3275 18.4325 179.4728 61 L 3.9737 8.2143 117.8041 57.7971 41.5527 179.9996 62 K 3.9642 7.8071 118.2936 59.3364 31.8803 179.2312 63 E 3.9453 8.2413 118.5810 59.4215 29.4586 179.2112 64 A 4.0207 8.0651 120.7113 55.3669 18.4275 179.0406 65 Y 4.1565 8.3304 118.0366 60.9943 38.9146 178.3282 66 L 3.8337 8.3595 120.0501 57.7464 41.4419 179.7619 67 R 3.9123 8.0043 117.2624 58.9258 30.0265 178.6118 68 A 4.1320 7.7251 119.7860 55.2275 18.6641 179.2485 69 L 4.0795 7.7384 117.6330 57.6495 41.6837 180.8495 70 G 3.8592 7.7369 104.1979 44.8469 0.0000 174.7910 *72 L 4.2320 7.8196 119.0339 53.2061 43.4059 177.1525 73 Q 3.5611 7.8295 116.1491 56.7332 26.4452 173.0965 74 V 4.2646 7.9616 118.4981 61.7447 32.3044 175.2138 75 E 4.6690 8.3424 125.2069 56.2714 31.3098 175.3462 76 A 5.0356 7.6418 120.5293 50.4642 23.0991 174.8898 77 V 4.5737 8.2114 119.8303 60.8521 35.4819 174.4894 *79 V 3.6688 8.4054 118.3582 63.6862 32.3962 175.8471 80 D 4.1059 8.0623 128.7908 55.2903 38.6664 173.8102 81 Y 4.0111 7.0113 118.5039 57.3885 39.8791 174.8981 82 R 4.3987 6.6772 120.7446 55.2106 31.1874 172.5965 83 P 4.2512 0.0000 0.0000 65.8403 31.4514 179.0706 84 G 3.8187 8.1988 105.3561 48.4241 0.0000 173.6313 85 T 3.9698 7.0642 109.0111 61.6498 69.4127 174.4329 86 H 4.3596 8.0326 117.6281 58.0834 28.9858 175.1315 87 R 4.6329 7.2912 115.6134 53.5877 33.9801 173.7758 88 A 4.4415 8.3429 120.9832 51.3625 20.0533 176.8889 89 Q 4.4247 8.4411 121.5270 54.5894 29.6507 175.1232 90 V 4.5189 8.2968 124.2476 60.8383 33.7710 174.3207 91 A 4.7121 9.1000 130.5806 49.7878 21.4881 176.1317 92 R 4.2201 8.4940 122.3013 55.9637 31.0533 178.0563 93 V 3.5766 8.9968 122.9547 65.9312 30.9152 178.1327 94 K 3.9149 8.0370 118.9921 59.6696 31.9997 178.2271 95 D 4.2048 8.1552 118.9459 56.9822 40.8831 178.7168 96 L 4.2164 7.9066 118.9202 57.4301 41.5086 179.3351 97 L 4.1126 7.8591 119.0529 57.8077 41.3499 179.2209 98 E 4.0533 7.5355 117.4021 59.0942 29.5675 178.7137 99 E 4.1205 8.2939 119.6775 59.2651 29.8010 178.9544 100 V 3.5132 8.0738 118.2249 65.8656 31.3263 177.6691 101 R 4.1980 7.7519 115.7602 57.5908 29.8914 177.1897 102 R 4.4670 7.8906 116.6148 55.6322 30.9934 175.8191 103 A 4.2736 7.7673 127.1448 52.2032 19.1147 177.1220 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 L 8.17 4.57 0.00 1.80 2.29 1.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.21 4.34 0.00 4.08 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 0.00 7 G 8.48 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 0.00 0.00 0.00 0.00 8 T 8.38 4.01 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 0.65 0.00 0.00 9 W 8.70 5.03 0.00 3.03 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 10 Y 9.02 5.19 0.00 3.15 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 11 V 8.84 5.01 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 0.22 0.00 0.00 0.85 0.00 0.00 12 L 8.58 5.07 0.00 1.64 1.69 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.46 4.84 0.00 1.94 1.81 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 2.42 2.49 0.00 14 G 9.07 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 15 D 7.25 4.59 0.00 3.08 2.50 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 0.00 16 P 0.00 3.88 0.00 2.12 2.07 0.00 3.67 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 2.02 2.14 0.00 17 G 7.67 4.17 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 0.00 0.00 0.00 18 E 8.52 4.46 0.00 1.96 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 2.26 2.26 0.00 19 H 8.64 5.35 0.00 3.05 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.55 4.65 0.00 1.72 1.66 1.00 0.97 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 21 V 8.46 4.67 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 0.90 0.00 0.00 0.95 0.00 0.00 22 V 8.83 4.43 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 0.85 0.00 0.00 0.91 0.00 0.00 23 E 9.04 5.32 0.00 1.87 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 2.22 2.13 0.00 24 A 8.36 4.50 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 25 L 9.05 3.67 0.00 1.77 1.74 0.92 0.90 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 26 G 8.50 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 27 E 7.97 4.60 0.00 2.13 1.71 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 2.16 2.27 0.00 28 R 8.33 4.68 0.00 1.88 1.82 0.00 3.20 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 29 L 8.94 5.43 0.00 1.50 1.44 0.90 0.56 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 30 S 8.20 5.02 0.00 3.80 3.65 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 31 G 8.48 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 0.00 0.00 0.00 32 I 7.53 4.85 1.42 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.45 0.00 0.00 33 W 9.26 5.10 0.00 3.46 2.97 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 0.00 0.00 0.00 34 T 9.94 4.32 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 1.30 0.00 0.00 35 S 7.74 4.43 0.00 4.01 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 36 R 7.16 3.31 0.00 1.22 1.60 0.00 3.13 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 37 E 7.78 3.89 0.00 2.13 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 0.00 2.27 2.28 0.00 38 L 8.01 3.97 0.00 1.98 1.98 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.65 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.18 3.84 0.00 2.04 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 2.25 2.52 0.00 41 A 7.93 3.86 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 42 F 7.42 4.00 0.00 2.77 2.73 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 43 L 7.96 4.09 0.00 1.82 1.67 0.90 0.85 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 44 A 8.11 3.95 1.25 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 45 H 7.91 4.46 0.00 3.05 3.09 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.83 4.91 0.00 2.90 3.07 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.18 2.10 0.00 3.60 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 2.09 2.26 0.00 48 H 8.27 4.39 0.00 3.28 3.42 0.00 5.54 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 3.82 0.00 1.66 1.78 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.26 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 R 7.65 4.16 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 53 V 8.22 4.83 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 0.92 0.00 0.00 0.85 0.00 0.00 54 S 9.34 4.94 0.00 3.74 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 55 A 8.65 4.34 1.15 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 0.00 0.00 56 L 8.93 4.56 0.00 1.47 1.42 0.62 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.31 3.90 0.00 1.98 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 2.13 2.20 0.00 58 S 7.47 4.51 0.00 3.99 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 59 R 8.24 3.67 0.00 1.88 1.89 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 60 A 7.83 3.95 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 61 L 8.21 3.97 0.00 1.57 1.67 0.92 0.90 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 62 K 7.81 3.96 0.00 1.64 1.24 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.42 1.16 7.81 63 E 8.24 3.95 0.00 2.14 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 2.42 2.44 0.00 64 A 8.07 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 65 Y 8.33 4.16 0.00 3.15 3.35 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 66 L 8.36 3.83 0.00 1.91 1.72 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.00 3.91 0.00 2.06 1.99 0.00 3.33 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 68 A 7.73 4.13 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 L 7.74 4.08 0.00 1.63 1.55 0.62 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.74 3.86 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 0.00 0.00 0.00 *72 L 7.82 4.23 0.00 1.88 1.76 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.83 3.56 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 74 V 7.96 4.26 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 0.73 0.00 0.00 0.89 0.00 0.00 75 E 8.34 4.67 0.00 2.00 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 2.20 2.20 0.00 76 A 7.64 5.04 1.13 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 77 V 8.21 4.57 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 0.99 0.00 0.00 0.80 0.00 0.00 *79 V 8.41 3.67 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 0.70 0.00 0.00 0.70 0.00 0.00 80 D 8.06 4.11 0.00 2.94 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 81 Y 7.01 4.01 0.00 2.72 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 82 R 6.68 4.40 0.00 1.96 2.00 0.00 3.12 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 83 P 0.00 4.25 0.00 2.18 2.14 0.00 3.64 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 2.15 2.15 0.00 84 G 8.20 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 85 T 7.06 3.97 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 1.08 0.00 0.00 86 H 8.03 4.36 0.00 3.30 3.46 0.00 5.47 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.29 4.63 0.00 1.79 1.87 0.00 3.22 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 88 A 8.34 4.44 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 89 Q 8.44 4.42 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 90 V 8.30 4.52 2.04 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 0.78 0.00 0.00 0.90 0.00 0.00 91 A 9.10 4.71 1.09 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 0.00 0.00 0.00 92 R 8.49 4.22 0.00 2.05 1.85 0.00 3.29 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 93 V 9.00 3.58 2.12 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 0.95 0.00 0.00 0.88 0.00 0.00 94 K 8.04 3.91 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 95 D 8.16 4.20 0.00 2.86 2.70 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 96 L 7.91 4.22 0.00 1.88 1.92 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.86 4.11 0.00 1.94 1.73 0.93 1.05 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 98 E 7.54 4.05 0.00 1.99 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 2.36 2.50 0.00 99 E 8.29 4.12 0.00 2.15 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 0.00 2.40 2.38 0.00 100 V 8.07 3.51 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 0.93 0.00 0.00 1.06 0.00 0.00 101 R 7.75 4.20 0.00 2.00 1.97 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 102 R 7.89 4.47 0.00 1.90 1.91 0.00 3.14 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 103 A 7.77 4.27 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.