NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3275 8.4293 120.2269 56.4850 30.0973 174.8420 5 T 3.7348 7.7828 111.4290 60.8373 69.8888 173.5866 6 I 4.0254 8.0097 124.7346 59.6567 38.9661 177.1717 7 N 4.5188 8.5298 125.0915 52.6768 39.1329 175.0133 8 L 3.9010 8.4256 128.4373 57.8741 41.8631 179.2392 9 K 3.8088 8.1140 117.6008 59.9881 31.7166 178.2767 10 Q 3.9058 9.0512 119.3551 60.3273 28.9591 178.9301 11 H 4.1134 8.4577 116.4736 58.6484 28.6145 177.8211 12 L 3.8713 7.8468 119.5155 57.9062 41.6125 178.7970 13 A 4.0422 8.3944 119.4131 55.4193 18.2425 179.3857 14 A 4.0776 7.4056 117.5712 54.1660 18.7452 177.9984 15 I 3.6741 7.0689 116.9403 61.3092 38.2112 175.6704 16 K 4.4981 8.6088 125.5138 55.8785 32.8787 175.4476 17 E 4.7355 7.6524 117.3519 54.3957 31.5451 175.3950 18 Y 4.0892 8.4441 118.9047 58.5611 38.6926 175.5863 19 W 3.6373 8.2147 119.3669 57.9972 27.0054 175.2009 20 Q 4.4257 7.3020 119.3019 53.1469 28.7377 171.7810 21 P 4.6534 0.0000 0.0000 62.2058 32.8105 175.4467 22 E 4.4172 9.4537 125.1751 55.2599 30.7507 174.8289 23 I 4.7699 8.3013 127.9702 60.4858 39.1342 175.5520 24 I 4.6496 8.6206 125.8699 59.9854 41.1887 173.8403 25 N 5.4611 8.7213 124.1300 51.9808 41.4379 175.5149 26 R 4.4379 9.2278 120.5124 57.0037 32.5346 175.2505 27 H 3.9804 8.4430 126.2708 56.5342 27.0748 178.7316 28 G 3.3987 8.9018 116.4214 48.5687 0.0000 172.6866 29 F 4.8179 7.9426 119.3805 56.2087 40.9436 174.7003 30 Q 4.9112 8.6639 125.2369 54.7787 30.7797 174.0236 31 F 5.3704 9.5746 125.6732 56.1811 41.9047 174.3224 32 H 5.4258 9.5847 120.0230 53.9709 31.9435 172.7462 33 L 5.2510 8.7980 123.0333 53.0391 44.2150 175.8237 34 V 4.6442 8.5871 122.7628 61.1877 35.7844 173.6517 35 K 4.9240 8.2668 123.2908 54.5766 34.9080 175.1172 36 L 4.1965 8.4985 123.3826 52.7818 44.7381 175.3043 37 L 4.6465 8.3441 122.8184 53.7525 45.3078 175.2819 38 G 4.1180 10.6148 113.1069 44.6749 0.0000 174.7005 39 D 5.0192 7.9369 121.5494 53.1305 41.1729 174.2636 40 Y 4.1227 7.4980 115.7311 57.4284 39.4519 177.2681 41 G 3.6152 8.8750 110.5010 45.9346 0.0000 173.2709 42 W 4.9041 8.6708 120.7665 55.3825 31.4887 174.5742 43 H 5.0918 9.2627 118.0894 54.8256 32.1168 172.8594 44 T 4.3605 7.8066 114.1273 63.9289 71.4041 176.9375 45 H 3.8438 7.9311 119.7787 56.5074 28.7622 172.3931 *48 S 4.6849 8.1961 115.0512 59.1931 63.9334 169.7558 49 D 4.8110 8.8721 115.4045 56.9023 41.4484 176.3845 50 K 4.8900 8.8109 118.8474 54.7136 36.8260 175.3791 51 V 4.7138 8.4781 122.7116 61.3175 33.5397 174.2230 52 L 5.2018 9.1374 128.5611 52.9538 43.9484 175.8088 53 F 5.1076 9.2078 125.4448 56.5373 42.6361 173.7295 54 A 4.2770 8.5106 129.1622 50.8181 17.8055 177.6071 55 V 2.7547 8.0384 121.7119 65.7514 31.7600 175.9919 56 E 4.4068 8.1344 117.3519 57.1886 32.1761 175.3127 57 G 4.4255 7.6637 109.0385 44.8023 0.0000 171.1093 58 D 5.0761 8.5575 123.0025 51.6087 43.8034 174.8251 *60 A 4.1118 7.9904 119.8859 52.1748 20.3620 176.2290 61 V 4.4529 7.9815 119.1484 60.7837 33.3316 175.1164 62 D 4.5880 8.2410 128.7251 54.5357 41.7669 175.8530 63 F 5.4319 8.8732 121.0351 55.7609 41.2814 175.6914 64 A 3.9639 8.7517 123.9819 54.7735 18.8313 179.7834 65 D 4.7433 8.2201 113.8254 53.8520 39.5012 178.3153 66 G 4.1022 8.5687 109.8907 46.4113 0.0000 175.2141 67 G 4.0025 7.7754 107.9151 46.2232 0.0000 172.7111 68 S 4.5802 8.1475 113.0023 57.3948 65.2771 172.8375 *70 T 4.0699 8.1821 116.0969 63.6413 69.1402 174.1820 71 I 4.3354 7.9510 126.5393 59.4600 37.5615 175.4759 72 R 4.4109 8.7691 125.1492 54.4454 31.1776 176.0205 73 E 3.9870 8.6914 120.6749 58.1932 29.7686 177.0770 74 G 4.1116 8.6867 113.2589 46.0846 0.0000 172.8035 75 E 4.7887 7.6631 120.1310 54.1354 32.5387 174.5902 *77 A 4.5016 8.1005 119.6921 52.7692 20.5655 176.1793 78 V 5.3933 8.2409 111.2815 58.9415 34.6680 175.8206 79 V 4.4022 8.3501 125.4963 60.4630 32.5655 173.2388 80 P 4.8306 0.0000 0.0000 62.6865 31.8374 176.0115 81 K 3.9367 9.1336 122.8502 58.7165 32.2918 177.1901 82 S 4.3290 8.9271 122.1760 58.0378 61.5059 168.7059 83 V 4.2052 7.3609 120.7288 61.2208 32.0247 175.4688 84 S 5.2429 9.0801 123.1721 59.1366 63.4989 172.6090 85 H 5.3606 8.8620 120.3616 55.1821 32.3281 172.4452 86 R 4.5236 8.6395 118.8920 53.8437 31.5405 171.8358 87 P 4.8902 0.0000 0.0000 62.5897 32.4699 175.6218 88 R 4.9441 8.6075 117.4551 55.6443 33.1561 174.3805 89 S 4.4021 9.0791 114.7615 56.9859 65.0725 174.4341 90 E 3.9805 9.1542 128.8326 58.8920 29.6451 176.8787 91 N 4.8751 8.1375 111.3900 52.2785 41.0163 174.4822 92 G 4.5028 9.4280 107.7990 45.8111 0.0000 172.5397 93 C 5.0502 8.3758 122.5491 57.7875 35.6937 172.4624 94 S 4.8490 8.6223 121.7367 57.3593 64.3374 172.6385 95 L 5.0725 9.0751 127.1495 53.1061 45.0398 174.9591 96 V 4.9055 8.3759 125.8723 61.1619 34.1098 173.9813 97 L 5.2706 9.2112 129.5269 53.4468 45.0909 174.7431 98 I 4.6409 8.8081 127.6224 59.7384 39.5488 174.7885 99 E 4.8757 9.1578 125.6412 53.7425 33.8330 175.7787 100 L 4.4714 8.8115 125.1814 57.1907 41.0277 176.8283 101 S 4.1941 7.7274 112.9755 56.8100 62.1587 171.6144 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 4 E 8.43 4.33 0.00 1.98 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 2.21 2.25 0.00 5 T 7.78 3.73 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 1.18 0.00 0.00 6 I 8.01 4.03 1.54 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.35 0.59 0.00 0.00 7 N 8.53 4.52 0.00 2.75 2.74 0.00 0.00 7.15 6.66 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 8 L 8.43 3.90 0.00 1.80 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.11 3.81 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 10 Q 9.05 3.91 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 11 H 8.46 4.11 0.00 3.18 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.85 3.87 0.00 1.89 1.67 0.86 0.62 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 13 A 8.39 4.04 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 14 A 7.41 4.08 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 15 I 7.07 3.67 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.21 0.93 0.00 0.00 16 K 8.61 4.50 0.00 1.70 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.31 7.81 17 E 7.65 4.74 0.00 1.90 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 2.19 2.25 0.00 18 Y 8.44 4.09 0.00 3.37 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 19 W 8.21 3.64 0.00 3.34 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 20 Q 7.30 4.43 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 21 P 0.00 4.65 0.00 2.17 2.09 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 22 E 9.45 4.42 0.00 2.02 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 2.29 0.00 23 I 8.30 4.77 1.85 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 1.18 0.63 0.87 0.00 0.00 24 I 8.62 4.65 1.92 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 1.20 0.60 0.83 0.00 0.00 25 N 8.72 5.46 0.00 2.60 2.76 0.00 0.00 6.88 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 26 R 9.23 4.44 0.00 2.07 2.11 0.00 3.12 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 27 H 8.44 3.98 0.00 3.52 2.81 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.90 3.40 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 0.00 29 F 7.94 4.82 0.00 3.15 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.66 4.91 0.00 2.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 31 F 9.57 5.37 0.00 2.90 2.96 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 32 H 9.58 5.43 0.00 3.00 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.80 5.25 0.00 1.60 1.52 0.91 0.43 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 34 V 8.59 4.64 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 0.81 0.00 0.00 0.83 0.00 0.00 35 K 8.27 4.92 0.00 1.18 1.52 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.19 7.81 36 L 8.50 4.20 0.00 1.34 1.26 -0.05 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.34 4.65 0.00 0.39 0.87 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 38 G 10.61 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 39 D 7.94 5.02 0.00 2.66 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 40 Y 7.50 4.12 0.00 1.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.88 3.62 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 0.00 0.00 0.00 42 W 8.67 4.90 0.00 3.28 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 43 H 9.26 5.09 0.00 3.03 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.81 4.36 4.29 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 1.26 0.00 0.00 45 H 7.93 3.84 0.00 3.52 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 S 8.20 4.68 0.00 3.44 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 49 D 8.87 4.81 0.00 2.57 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 50 K 8.81 4.89 0.00 1.66 1.61 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.25 1.33 7.81 51 V 8.48 4.71 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 1.08 0.00 0.00 0.94 0.00 0.00 52 L 9.14 5.20 0.00 1.54 1.58 0.94 0.76 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 53 F 9.21 5.11 0.00 3.05 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 54 A 8.51 4.28 1.21 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 0.00 0.00 0.00 55 V 8.04 2.75 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 0.62 0.00 0.00 0.61 0.00 0.00 56 E 8.13 4.41 0.00 1.83 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 2.12 2.21 0.00 57 G 7.66 4.43 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 0.00 58 D 8.56 5.08 0.00 2.64 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 *60 A 7.99 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 61 V 7.98 4.45 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 0.45 0.00 0.00 0.89 0.00 0.00 62 D 8.24 4.59 0.00 2.16 2.64 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 63 F 8.87 5.43 0.00 3.10 3.10 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 64 A 8.75 3.96 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 65 D 8.22 4.74 0.00 2.94 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 66 G 8.57 4.10 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 0.00 67 G 7.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.58 0.00 3.87 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 *70 T 8.18 4.07 4.26 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 1.22 0.00 0.00 71 I 7.95 4.34 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.95 0.00 0.00 72 R 8.77 4.41 0.00 1.90 1.97 0.00 3.14 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 73 E 8.69 3.99 0.00 1.98 1.85 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 2.29 2.37 0.00 74 G 8.69 4.11 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 75 E 7.66 4.79 0.00 2.35 1.94 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 2.27 2.26 0.00 *77 A 8.10 4.50 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 78 V 8.24 5.39 2.23 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 0.88 0.00 0.00 0.96 0.00 0.00 79 V 8.35 4.40 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 0.93 0.00 0.00 1.00 0.00 0.00 80 P 0.00 4.83 0.00 2.13 2.06 0.00 3.98 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 2.04 1.94 0.00 81 K 9.13 3.94 0.00 1.89 1.80 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.49 7.81 82 S 8.93 4.33 0.00 4.02 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 0.00 83 V 7.36 4.21 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 0.95 0.00 0.00 0.95 0.00 0.00 84 S 9.08 5.24 0.00 4.05 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 85 H 8.86 5.36 0.00 3.22 3.53 0.00 5.46 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.64 4.52 0.00 0.67 0.66 0.00 2.77 0.00 0.00 2.97 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 87 P 0.00 4.89 0.00 2.16 2.04 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 88 R 8.61 4.94 0.00 1.96 1.87 0.00 2.98 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 89 S 9.08 4.40 0.00 3.82 3.77 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 90 E 9.15 3.98 0.00 1.93 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 0.00 2.28 2.38 0.00 91 N 8.14 4.88 0.00 2.68 2.73 0.00 0.00 7.18 7.65 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 92 G 9.43 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 0.00 0.00 0.00 0.00 93 C 8.38 5.05 0.00 3.12 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 94 S 8.62 4.85 0.00 3.76 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 95 L 9.08 5.07 0.00 1.55 1.33 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.38 4.91 2.28 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 1.19 0.00 0.00 0.98 0.00 0.00 97 L 9.21 5.27 0.00 1.71 1.51 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.81 4.64 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.47 0.00 0.00 99 E 9.16 4.88 0.00 1.99 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 2.16 2.17 0.00 100 L 8.81 4.47 0.00 1.50 1.08 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.73 4.19 0.00 3.71 3.66 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 * Residues marked with a * may have inaccurate shift predictions.