NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3050 8.1185 123.5853 51.7103 20.2565 177.1663 3 A 4.0048 8.6873 124.8829 54.1243 19.4514 172.2957 4 V 4.9207 8.1697 112.5766 61.9165 35.5433 172.8736 5 T 4.7272 9.4965 124.4020 61.9545 71.4974 173.1728 6 Q 5.1879 8.5727 124.6712 54.7941 31.8857 175.4092 7 S 4.5050 8.4257 113.4822 57.3069 66.2348 173.5911 8 P 4.8181 0.0000 0.0000 62.5067 32.7542 175.6997 9 R 4.4052 8.3554 115.1339 57.5236 31.6837 176.3887 10 N 5.3247 7.9073 117.3007 52.3095 41.8226 173.4624 11 K 4.6037 9.5152 127.9817 54.5458 35.8221 174.7106 12 V 4.8089 8.6010 126.7013 61.3115 33.3018 174.2841 13 A 4.9391 9.1599 129.6112 50.2397 22.7576 174.5859 14 V 4.5881 8.5311 118.2347 60.9485 34.6152 175.3378 15 T 4.1524 8.1407 122.5309 65.7926 68.5690 174.6926 16 G 4.2482 9.3124 116.1718 44.2670 0.0000 173.2636 17 E 4.1341 7.9786 121.6298 55.7871 30.9126 175.6403 18 K 4.7548 8.4897 127.7512 56.1901 33.2857 175.9846 19 V 4.4428 8.9343 127.0312 61.3051 34.8705 174.0217 20 T 4.9228 8.4625 123.2937 61.6608 71.3413 173.1060 21 L 4.7055 8.6865 126.4352 53.0382 44.2386 175.6314 22 S 5.1836 9.3158 120.1495 57.0927 65.8362 172.4090 23 C 5.4226 9.0794 122.5206 55.0899 41.7433 172.4470 24 Q 5.4817 9.5382 125.8310 54.1600 31.0187 174.7498 25 Q 5.2452 8.9470 121.1327 54.7256 31.4800 175.3159 26 T 4.4951 8.9363 109.3778 61.7206 69.7972 174.4589 27 N 4.4044 8.2518 118.4949 52.9510 38.8761 174.3309 28 N 4.1912 7.9635 114.1402 54.2448 36.3929 174.1076 29 H 4.5318 8.0429 114.0021 55.6370 29.5859 175.8609 30 N 4.5597 8.9642 121.2574 56.3271 38.3940 175.1619 31 N 5.4889 7.8974 115.1967 51.7376 40.4354 174.3148 32 M 4.9461 7.6722 121.3312 53.8975 36.7916 173.8360 33 Y 5.0650 8.5206 116.5868 56.5520 43.2781 174.1538 34 W 5.2025 9.1437 121.9290 55.2618 32.8103 174.1792 35 Y 5.6031 9.8712 122.2096 56.1555 41.8456 174.5572 36 R 4.9971 8.9184 117.5744 54.5068 32.7396 174.5702 37 Q 4.9367 9.4597 124.3674 55.2631 30.4061 173.9265 38 D 5.1884 8.6608 126.2076 52.1713 44.9399 175.8127 39 T 4.1300 8.5597 113.4278 63.2491 69.1501 174.6173 40 G 3.9508 9.4409 113.8892 45.5458 0.0000 173.1173 41 H 4.8994 8.2175 114.0800 54.0262 32.4532 175.7993 42 G 3.7385 7.6058 108.2701 46.4221 0.0000 175.6122 43 L 5.0750 8.6312 123.2012 52.5287 43.3924 175.2090 44 R 4.7954 8.7721 122.9619 54.1067 32.9436 175.1003 45 L 4.1303 8.7265 126.3207 55.4756 43.0530 176.0580 46 I 4.1461 8.9954 127.6341 62.8739 38.3123 174.9818 47 H 5.6643 7.9881 117.5986 54.6235 33.8301 171.4704 48 Y 5.1729 8.7137 118.2707 56.0119 42.0043 173.5134 49 S 4.4715 7.9798 111.8822 57.4618 65.8617 174.4575 50 Y 4.8837 9.4606 122.8069 56.2763 38.6138 175.8187 51 G 4.1335 7.0836 109.6107 44.0736 0.0000 172.2977 52 V 3.9144 7.6649 119.7885 62.9356 31.6300 176.7078 53 G 3.9244 8.9110 111.1210 45.3866 0.0000 172.3822 54 N 5.2214 7.8153 117.3383 51.8052 41.4423 173.7297 55 T 4.8733 8.2616 113.7699 60.3663 72.2311 172.6466 56 E 4.6651 8.7201 121.9287 54.3827 34.1054 174.9907 57 K 4.5286 8.6974 121.6634 55.6738 32.8770 177.3479 58 G 4.3184 9.1741 117.9123 47.1729 0.0000 175.2888 59 D 4.8502 9.3758 122.8659 54.3188 41.8447 176.9915 60 I 4.6759 7.1662 110.1513 59.1627 37.2831 174.0212 61 P 4.3189 0.0000 0.0000 65.5822 32.2388 177.2748 62 D 4.3237 8.0529 119.8126 55.9713 41.1242 176.4415 63 G 3.6106 8.7806 112.1793 45.5034 0.0000 171.9435 *65 Y 5.4541 7.1800 115.4021 58.2344 39.5151 174.0284 66 E 4.8895 8.9864 121.0551 55.0948 33.5363 174.3491 67 A 4.8754 8.0186 119.5033 51.5913 22.3818 175.9753 68 S 4.4914 8.7425 113.5850 56.9228 66.5040 173.1985 69 R 4.9870 8.9598 127.4241 53.3675 29.3020 173.8780 70 P 4.5144 0.0000 0.0000 63.8854 32.6387 176.9994 71 S 4.6592 7.5938 112.3409 56.9195 65.5683 174.9468 72 Q 4.0213 8.7346 120.3139 59.0082 28.6626 178.1122 73 E 4.2399 7.8252 116.2473 57.0676 29.8872 175.2893 74 Q 5.1383 8.0180 120.5822 54.0832 31.6048 173.9807 75 F 5.5541 9.3774 128.3410 56.8881 42.6134 173.4111 76 S 5.0132 9.2103 122.8170 56.7293 65.7257 172.8681 77 L 4.4440 8.1920 125.1922 53.0333 44.6092 175.0982 78 I 4.7524 8.1948 125.6881 59.4883 40.7490 174.3862 79 L 4.7395 8.7616 128.8083 53.4155 42.1738 177.8680 80 V 3.4774 8.4559 124.7335 64.5462 32.1448 176.9866 81 S 4.4312 7.7866 119.4448 55.6174 64.0742 172.3917 82 A 4.6978 9.0301 128.7345 51.8540 19.7298 176.2290 83 T 4.7665 8.2416 115.5025 61.0863 72.7215 173.2259 84 P 4.2295 0.0000 0.0000 65.9550 31.4997 178.6342 85 S 4.4675 7.9845 110.3683 60.5412 63.0612 174.7645 86 Q 4.4230 8.1492 119.7799 56.6430 28.9316 176.0275 87 S 4.5082 8.4029 115.9192 58.5470 63.5102 174.0373 88 S 4.5318 7.8762 116.8698 58.5142 67.5271 174.8389 89 V 4.8712 6.9917 118.7032 61.4392 34.0341 174.7823 90 Y 5.2378 9.1125 124.8210 56.2508 41.3849 174.4401 91 F 5.4837 9.6975 122.4960 55.8339 42.2864 172.1417 92 C 5.1997 10.0345 118.3472 53.5643 41.6161 172.5509 93 A 5.2223 8.8033 120.9937 50.2750 22.5429 175.3018 94 S 5.2221 8.8175 114.6369 57.1770 66.0925 173.2687 95 G 4.7645 8.8353 106.9124 45.6577 0.0000 173.0035 96 V 4.6941 8.5558 119.8152 60.9078 35.7809 176.3538 97 G 3.7677 8.4292 111.3973 47.2232 0.0000 174.4571 98 G 3.8907 8.9449 112.1296 45.2380 0.0000 172.8392 99 T 4.3467 7.8935 117.8373 61.5210 70.1576 173.3074 100 L 4.9072 7.9605 125.0755 53.0192 44.5576 175.6196 101 Y 4.4685 9.1128 121.3568 56.3156 40.0240 174.8180 *108 F 4.8495 8.5576 122.3066 57.2011 40.5652 175.4410 109 G 4.1786 9.3549 109.2488 45.4139 0.0000 173.7360 110 A 4.3900 8.7414 121.5163 52.9305 18.9060 178.7398 111 G 3.3112 8.9351 101.2869 45.1991 0.0000 173.0455 112 T 4.7751 8.3090 115.6875 61.6360 72.6392 172.9907 113 R 4.9407 8.8423 127.2455 54.9802 32.3196 174.6241 114 L 5.2883 9.0463 127.6837 53.4907 45.3201 174.8757 115 S 5.1200 8.9977 122.5160 56.7813 65.4918 173.2110 116 V 4.6845 8.3508 125.1067 61.1486 32.7885 175.5315 117 L 4.3101 8.9774 127.9669 55.0089 41.7314 177.0486 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 A 8.12 4.30 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 3 A 8.69 4.00 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 4 V 8.17 4.92 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 0.81 0.00 0.00 1.03 0.00 0.00 5 T 9.50 4.73 4.28 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 1.25 0.00 0.00 6 Q 8.57 5.19 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 7 S 8.43 4.50 0.00 3.89 3.73 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 8 P 0.00 4.82 0.00 2.23 2.08 0.00 3.79 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 1.97 1.97 0.00 9 R 8.36 4.41 0.00 1.81 2.03 0.00 3.16 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 10 N 7.91 5.32 0.00 2.70 2.67 0.00 0.00 6.68 6.68 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 11 K 9.52 4.60 0.00 1.81 1.57 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.37 7.81 12 V 8.60 4.81 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.16 4.94 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 14 V 8.53 4.59 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 0.95 0.00 0.00 0.92 0.00 0.00 15 T 8.14 4.15 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 16 G 9.31 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 17 E 7.98 4.13 0.00 2.18 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 2.26 2.22 0.00 18 K 8.49 4.75 0.00 1.76 1.64 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.37 7.81 19 V 8.93 4.44 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 0.85 0.00 0.00 0.86 0.00 0.00 20 T 8.46 4.92 4.16 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 1.11 0.00 0.00 21 L 8.69 4.71 0.00 0.50 1.26 0.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.32 5.18 0.00 3.88 3.97 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 23 C 9.08 5.42 0.00 3.01 3.31 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 0.00 0.00 0.00 0.00 24 Q 9.54 5.48 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 25 Q 8.95 5.25 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 26 T 8.94 4.50 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 1.19 0.00 0.00 27 N 8.25 4.40 0.00 2.12 2.30 0.00 0.00 7.09 8.00 0.00 0.00 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 N 7.96 4.19 0.00 2.78 2.85 0.00 0.00 7.04 8.16 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 29 H 8.04 4.53 0.00 3.27 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.96 4.56 0.00 2.76 3.08 0.00 0.00 6.96 8.00 0.00 0.00 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 N 7.90 5.49 0.00 2.95 2.44 0.00 0.00 7.38 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 32 M 7.67 4.95 0.00 1.81 1.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 33 Y 8.52 5.07 0.00 2.88 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 0.00 0.00 0.00 34 W 9.14 5.20 0.00 3.44 3.02 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 35 Y 9.87 5.60 0.00 3.17 3.02 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 36 R 8.92 5.00 0.00 1.46 1.45 0.00 2.78 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 37 Q 9.46 4.94 0.00 2.36 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 38 D 8.66 5.19 0.00 2.71 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 39 T 8.56 4.13 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 1.21 0.00 0.00 40 G 9.44 3.95 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 0.00 0.00 0.00 41 H 8.22 4.90 0.00 3.27 3.26 0.00 5.81 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 42 G 7.61 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 43 L 8.63 5.08 0.00 1.35 1.35 0.77 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.77 4.80 0.00 1.78 1.86 0.00 3.07 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 45 L 8.73 4.13 0.00 1.83 1.57 0.57 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.00 4.15 1.89 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.85 0.48 0.00 0.00 47 H 7.99 5.66 0.00 3.16 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.71 5.17 0.00 2.45 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 49 S 7.98 4.47 0.00 3.17 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.46 4.88 0.00 3.07 2.82 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 51 G 7.08 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 52 V 7.66 3.91 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 0.74 0.00 0.00 0.98 0.00 0.00 53 G 8.91 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 54 N 7.82 5.22 0.00 2.74 2.80 0.00 0.00 6.86 7.02 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 55 T 8.26 4.87 4.33 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 1.37 0.00 0.00 56 E 8.72 4.67 0.00 1.16 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 1.89 2.03 0.00 57 K 8.70 4.53 0.00 1.71 1.79 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.51 7.81 58 G 9.17 4.32 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 0.00 59 D 9.38 4.85 0.00 2.62 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 60 I 7.17 4.68 1.96 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 1.57 0.76 0.95 0.00 0.00 61 P 0.00 4.32 0.00 2.25 2.26 0.00 3.82 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 2.04 2.03 0.00 62 D 8.05 4.32 0.00 2.75 2.69 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 0.00 0.00 0.00 0.00 63 G 8.78 3.61 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 0.00 0.00 0.00 *65 Y 7.18 5.45 0.00 3.06 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 E 8.99 4.89 0.00 1.77 1.79 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 2.20 2.20 0.00 67 A 8.02 4.88 1.03 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 0.00 0.00 68 S 8.74 4.49 0.00 3.86 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 69 R 8.96 4.99 0.00 2.07 1.87 0.00 3.66 0.00 0.00 3.07 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 70 P 0.00 4.51 0.00 2.24 2.18 0.00 4.21 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 71 S 7.59 4.66 0.00 4.14 3.97 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 72 Q 8.73 4.02 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 73 E 7.83 4.24 0.00 1.99 2.17 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 2.29 2.27 0.00 74 Q 8.02 5.14 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 75 F 9.38 5.55 0.00 3.09 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 76 S 9.21 5.01 0.00 3.69 3.60 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 0.00 0.00 0.00 0.00 77 L 8.19 4.44 0.00 0.27 0.14 0.68 0.26 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 78 I 8.19 4.75 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.82 0.00 0.00 79 L 8.76 4.74 0.00 1.47 1.42 0.73 0.46 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 80 V 8.46 3.48 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 0.62 0.00 0.00 0.87 0.00 0.00 81 S 7.79 4.43 0.00 3.81 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 82 A 9.03 4.70 1.24 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 0.00 0.00 83 T 8.24 4.77 4.32 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 1.23 0.00 0.00 84 P 0.00 4.23 0.00 2.17 2.14 0.00 3.59 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 2.12 2.11 0.00 85 S 7.98 4.47 0.00 4.00 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 86 Q 8.15 4.42 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 87 S 8.40 4.51 0.00 3.85 3.93 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 0.00 0.00 0.00 88 S 7.88 4.53 0.00 3.94 3.56 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 89 V 6.99 4.87 2.17 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 0.76 0.00 0.00 0.96 0.00 0.00 90 Y 9.11 5.24 0.00 3.06 3.20 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 0.00 91 F 9.70 5.48 0.00 3.18 3.21 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 92 C 10.03 5.20 0.00 1.95 1.18 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 93 A 8.80 5.22 0.65 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 0.00 0.00 94 S 8.82 5.22 0.00 3.96 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 95 G 8.84 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.56 4.69 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 0.77 0.00 0.00 0.97 0.00 0.00 97 G 8.43 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 0.00 0.00 0.00 98 G 8.94 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 99 T 7.89 4.35 4.08 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 0.50 0.00 0.00 100 L 7.96 4.91 0.00 1.32 1.07 0.69 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.11 4.47 0.00 2.75 2.89 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 *108 F 8.56 4.85 0.00 2.96 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 0.00 109 G 9.35 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 0.00 110 A 8.74 4.39 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 0.00 111 G 8.94 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.31 4.78 4.41 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 1.27 0.00 0.00 113 R 8.84 4.94 0.00 1.92 1.80 0.00 3.06 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 114 L 9.05 5.29 0.00 1.83 1.75 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.00 5.12 0.00 3.82 3.76 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 0.00 0.00 0.00 0.00 116 V 8.35 4.68 2.18 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 0.75 0.00 0.00 0.94 0.00 0.00 117 L 8.98 4.31 0.00 1.59 1.54 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.