NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6009 8.3649 120.5344 54.1405 42.2970 174.0544 2 I 4.1041 8.1502 121.3709 59.6588 38.0819 170.4860 3 V 4.4046 9.2857 128.6472 61.2912 34.3481 174.0015 4 L 5.1982 8.4409 125.7428 53.3538 44.2267 176.0946 5 T 4.4100 8.8036 121.6246 62.4799 69.1665 173.3633 6 Q 5.2024 8.5768 128.3165 54.7723 31.3830 174.4086 7 S 4.8395 9.0712 120.8103 56.5395 67.9060 171.7391 8 P 4.9702 0.0000 0.0000 61.5080 32.8306 175.4782 9 A 4.2586 8.6526 121.5490 55.2096 19.1628 177.5317 10 S 5.2700 7.8253 107.9411 57.5215 67.6985 173.7287 11 L 4.6629 9.0239 122.6653 54.0329 45.7349 174.3632 12 S 5.4393 8.7878 121.4402 56.9934 65.2283 173.1117 13 A 4.8809 9.6208 125.1363 50.9927 23.4869 174.8564 14 S 5.1542 8.7360 114.8006 56.4858 65.9940 174.6442 15 V 3.9735 8.3381 121.6567 64.5794 31.5396 176.4604 16 G 3.9654 9.4475 115.7534 45.0469 0.0000 173.1668 17 E 4.3604 7.8101 118.8471 56.0632 31.7784 175.3604 18 T 4.9206 8.2120 117.5364 62.1328 71.0838 174.2157 19 V 4.8595 8.3755 118.0951 59.8691 36.4346 174.6175 20 T 4.9073 8.1093 116.9868 62.2623 72.2306 173.7056 21 I 4.6762 8.7081 127.3306 59.5714 40.4941 174.7762 22 T 5.4552 9.0822 115.6916 60.3809 72.6321 172.2623 23 C 5.4817 9.6077 119.7585 55.6301 45.8189 172.8572 24 R 5.2579 9.1844 124.4726 54.4720 31.7552 174.5626 25 A 5.0540 9.4336 129.3767 51.2962 20.0012 178.0085 26 S 4.1295 8.9025 115.6873 59.9077 63.5525 174.0876 27 G 4.1530 7.4907 108.1547 43.9333 0.0000 172.1937 28 N 4.4346 8.5720 119.0016 53.5334 39.3501 174.6168 29 I 4.0651 8.1066 117.6736 59.9626 38.6215 175.0297 30 H 3.9340 8.9784 117.5647 57.3196 26.2093 175.2438 31 N 4.5838 8.2365 112.8110 54.0930 37.6650 174.7501 32 Y 4.8155 7.8981 118.7700 56.5970 36.5239 173.4070 33 L 5.2075 7.6396 122.1366 53.0620 46.2516 174.8651 34 A 5.3370 9.0449 127.0642 49.9302 22.8162 174.7597 35 W 5.4162 9.1304 118.7711 55.1495 33.0924 174.4470 36 Y 5.3662 9.7286 120.9858 56.3359 41.7322 174.0792 37 Q 4.6445 9.2159 124.0898 54.3980 31.6334 174.0226 38 Q 4.7972 8.8621 127.3808 54.2702 31.8769 174.8905 39 K 4.6433 8.5526 126.0590 55.2146 34.3333 176.5083 40 Q 3.9780 8.7127 120.5497 57.8196 28.6345 177.2771 41 G 3.8882 8.9595 110.9917 46.2521 0.0000 172.3591 42 K 4.6716 7.8251 117.6889 53.9642 35.6583 175.7717 43 S 4.6103 8.1871 114.1449 56.2951 64.5437 172.1341 44 P 4.5737 0.0000 0.0000 63.4516 32.1462 175.4469 45 Q 4.5959 9.1060 122.2159 54.0317 32.3226 174.0629 46 L 4.2442 9.0520 128.9666 55.9097 42.4912 175.5321 47 L 4.5500 9.1531 125.5671 55.8813 44.2940 176.6747 48 V 5.1155 7.5928 117.3323 61.5013 35.3515 173.2168 49 Y 5.0313 8.7113 124.4050 55.0803 42.1236 173.8833 50 Y 4.1325 9.3411 117.1227 57.9998 37.5044 172.6914 51 T 3.7738 8.4849 121.7624 64.5277 68.5124 174.1679 52 T 4.6224 7.8801 106.0982 60.8550 70.4711 173.5747 53 T 4.1036 7.7783 121.0327 62.7709 69.4522 174.2118 54 L 4.6861 8.3534 126.6509 54.2363 42.9195 176.9406 55 A 4.5380 9.1917 124.9403 51.5256 19.8569 176.9787 56 D 4.5463 8.6151 119.2190 55.6851 41.4265 177.6063 57 G 4.0414 8.8452 110.4235 45.6608 0.0000 174.0708 58 V 3.8221 7.2983 119.7291 61.5186 32.2345 174.0470 59 P 4.5669 0.0000 0.0000 62.3612 31.9291 177.3413 60 S 4.3215 8.6737 114.9590 60.2761 63.0228 175.3412 61 R 3.9666 7.9649 117.7089 57.8288 29.6864 175.6522 62 F 5.1203 8.0789 118.4674 56.3738 40.5672 175.5798 63 S 4.6401 8.7922 116.1625 57.2069 66.4185 173.5474 64 G 4.6990 8.6950 109.3705 44.1897 0.0000 171.5811 65 S 4.6086 8.7254 113.7488 57.6716 66.8728 173.3004 66 G 4.0664 7.9281 105.2407 44.7113 0.0000 172.4047 67 S 4.5428 7.2264 113.7750 58.4522 68.0147 178.7589 68 G 3.9343 9.0717 112.2453 46.6637 0.0000 174.1299 69 T 4.8314 8.6124 112.1330 60.7593 71.8611 174.6539 70 Q 4.9966 7.5850 124.1537 54.6164 31.7549 173.6634 71 Y 5.1044 9.4300 123.6226 56.3925 42.1403 174.7551 72 S 5.3576 9.4758 118.0900 56.7121 67.7362 172.6021 73 L 4.6200 8.5201 124.8889 52.8787 44.4179 174.8537 74 K 4.8298 8.8504 127.7745 54.5119 35.3040 174.5191 75 I 4.3446 8.3696 127.7430 59.5051 39.7064 174.1044 76 N 5.0774 8.4723 125.0962 51.3379 39.8610 175.7645 77 S 3.7334 8.6133 117.7904 57.8604 60.4679 172.9312 78 L 3.9044 8.2127 121.1223 56.2523 41.2072 177.6158 79 Q 4.7946 8.8864 121.2724 53.3959 31.0696 174.7440 80 P 4.6524 0.0000 0.0000 66.1129 31.3226 178.0689 81 E 4.5417 8.2112 112.4391 57.1303 29.8355 176.7433 82 D 4.9509 8.1081 119.2398 55.5381 41.4751 176.9677 83 F 4.4726 7.7932 117.6100 56.5011 39.9305 176.4231 84 G 3.8424 7.4197 110.4633 45.9181 0.0000 171.3698 85 S 5.3219 7.9539 116.0385 57.3643 65.8409 173.2518 86 Y 5.3972 8.8620 119.2408 56.7706 42.0635 174.1468 87 Y 5.5626 9.5373 120.5463 56.4883 42.6340 172.0082 88 C 5.0956 9.0791 116.3000 53.8228 45.6931 172.3022 89 Q 4.7174 8.5519 120.8159 54.8252 32.2445 173.2749 90 H 5.2385 8.1174 121.3248 54.0635 30.6864 174.6151 91 F 4.7312 9.2946 118.3709 57.0809 40.2685 175.4103 92 W 4.3923 8.9465 130.0725 56.6721 30.4774 176.3868 93 S 3.3102 7.8778 123.9900 58.4969 61.1066 170.6670 94 T 4.6825 7.9279 106.9245 59.1311 71.7251 171.8195 95 P 4.4432 0.0000 0.0000 62.5512 32.3462 176.2260 96 R 4.0416 8.0299 119.1048 56.2752 31.2746 175.6296 97 T 4.7057 7.5698 109.9928 60.3500 72.7319 172.3465 98 F 5.0788 8.7332 120.1718 55.4482 42.0422 175.8601 99 G 4.0461 8.9326 110.0898 44.4114 0.0000 175.0979 100 G 3.6524 8.5726 107.7523 46.2943 0.0000 174.8665 101 G 3.5414 8.4062 106.3940 45.8633 0.0000 173.1262 102 T 4.9017 8.4075 117.4101 61.4509 72.6651 172.9921 103 K 4.8465 8.9489 125.7902 54.9029 34.1369 175.0825 104 L 5.1229 9.3860 129.0340 53.5743 43.7028 175.0482 105 E 5.2385 9.6860 124.0679 54.1211 33.7157 175.0797 106 I 3.9827 7.9810 121.2967 61.2447 37.7342 176.2446 107 K 4.2086 8.7868 127.6189 56.6693 31.6784 176.3684 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 D 8.36 4.60 0.00 2.70 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 2 I 8.15 4.10 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.82 0.00 0.00 3 V 9.29 4.40 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 0.99 0.00 0.00 0.96 0.00 0.00 4 L 8.44 5.20 0.00 1.55 1.56 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.80 4.41 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 1.25 0.00 0.00 6 Q 8.58 5.20 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.79 0.00 7 S 9.07 4.84 0.00 3.80 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 8 P 0.00 4.97 0.00 2.09 2.07 0.00 3.79 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 2.07 1.96 0.00 9 A 8.65 4.26 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 10 S 7.83 5.27 0.00 3.74 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 11 L 9.02 4.66 0.00 1.69 1.47 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.79 5.44 0.00 3.80 3.78 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 13 A 9.62 4.88 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 14 S 8.74 5.15 0.00 3.83 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 15 V 8.34 3.97 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 0.89 0.00 0.00 1.18 0.00 0.00 16 G 9.45 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 0.00 0.00 0.00 17 E 7.81 4.36 0.00 2.09 1.82 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 2.28 2.28 0.00 18 T 8.21 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 1.15 0.00 0.00 19 V 8.38 4.86 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 0.66 0.00 0.00 0.68 0.00 0.00 20 T 8.11 4.91 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 1.13 0.00 0.00 21 I 8.71 4.68 1.45 0.00 0.00 0.38 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 0.48 1.13 0.00 0.00 22 T 9.08 5.46 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 1.24 0.00 0.00 23 C 9.61 5.48 0.00 2.89 2.95 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 24 R 9.18 5.26 0.00 2.11 1.81 0.00 3.09 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 25 A 9.43 5.05 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 26 S 8.90 4.13 0.00 3.92 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 27 G 7.49 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 28 N 8.57 4.43 0.00 2.54 2.45 0.00 0.00 6.84 7.94 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 29 I 8.11 4.07 1.93 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.88 0.00 0.00 30 H 8.98 3.93 0.00 2.83 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.24 4.58 0.00 2.48 1.84 0.00 0.00 6.91 7.51 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 32 Y 7.90 4.82 0.00 3.45 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 33 L 7.64 5.21 0.00 1.02 0.91 0.50 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.04 5.34 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 35 W 9.13 5.42 0.00 3.22 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 36 Y 9.73 5.37 0.00 3.16 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 37 Q 9.22 4.64 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.05 1.55 0.00 38 Q 8.86 4.80 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 39 K 8.55 4.64 0.00 1.74 1.74 0.00 1.82 0.00 0.00 2.04 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.44 7.81 40 Q 8.71 3.98 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 41 G 8.96 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 42 K 7.83 4.67 0.00 1.75 1.71 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.49 7.81 43 S 8.19 4.61 0.00 3.93 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 44 P 0.00 4.57 0.00 1.76 1.89 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 45 Q 9.11 4.60 0.00 2.25 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 46 L 9.05 4.24 0.00 1.85 1.65 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.15 4.55 0.00 1.77 1.51 0.88 0.05 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 48 V 7.59 5.12 2.35 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 1.15 0.00 0.00 0.96 0.00 0.00 49 Y 8.71 5.03 0.00 2.96 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 50 Y 9.34 4.13 0.00 3.25 2.95 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 51 T 8.48 3.77 4.05 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 1.42 0.00 0.00 52 T 7.88 4.62 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 1.22 0.00 0.00 53 T 7.78 4.10 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 0.82 0.00 0.00 54 L 8.35 4.69 0.00 1.50 1.60 0.97 1.01 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 55 A 9.19 4.54 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.55 0.00 2.72 2.65 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 57 G 8.85 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 0.00 0.00 0.00 58 V 7.30 3.82 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 0.65 0.00 0.00 0.94 0.00 0.00 59 P 0.00 4.57 0.00 2.37 2.26 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.18 0.00 60 S 8.67 4.32 0.00 4.00 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 61 R 7.96 3.97 0.00 2.01 2.11 0.00 2.90 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 0.00 62 F 8.08 5.12 0.00 3.01 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 63 S 8.79 4.64 0.00 3.86 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 64 G 8.70 4.70 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 65 S 8.73 4.61 0.00 3.85 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 66 G 7.93 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 67 S 7.23 4.54 0.00 3.69 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 68 G 9.07 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 0.00 0.00 0.00 69 T 8.61 4.83 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 1.23 0.00 0.00 70 Q 7.58 5.00 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 71 Y 9.43 5.10 0.00 3.14 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 72 S 9.48 5.36 0.00 3.70 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 73 L 8.52 4.62 0.00 0.27 0.27 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.85 4.83 0.00 1.69 1.46 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.28 7.81 75 I 8.37 4.34 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.35 0.21 0.00 0.00 76 N 8.47 5.08 0.00 2.43 2.62 0.00 0.00 7.05 7.49 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 77 S 8.61 3.73 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.21 3.90 0.00 1.48 1.54 0.40 0.60 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 79 Q 8.89 4.79 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 80 P 0.00 4.65 0.00 2.27 2.23 0.00 3.66 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 2.19 2.21 0.00 81 E 8.21 4.54 0.00 2.16 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 0.00 2.38 2.36 0.00 82 D 8.11 4.95 0.00 2.56 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 83 F 7.79 4.47 0.00 3.13 3.01 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 84 G 7.42 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 85 S 7.95 5.32 0.00 3.86 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 86 Y 8.86 5.40 0.00 2.97 3.03 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 87 Y 9.54 5.56 0.00 3.23 3.13 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 88 C 9.08 5.10 0.00 1.93 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 89 Q 8.55 4.72 0.00 1.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 90 H 8.12 5.24 0.00 3.18 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.29 4.73 0.00 3.09 3.12 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 92 W 8.95 4.39 0.00 3.59 3.09 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 93 S 7.88 3.31 0.00 3.45 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 94 T 7.93 4.68 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 1.14 0.00 0.00 95 P 0.00 4.44 0.00 2.17 2.06 0.00 3.76 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 1.98 2.17 0.00 96 R 8.03 4.04 0.00 1.38 1.28 0.00 3.15 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.34 0.00 97 T 7.57 4.71 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 1.25 0.00 0.00 98 F 8.73 5.08 0.00 2.91 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 99 G 8.93 4.05 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 0.00 100 G 8.57 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 0.00 0.00 0.00 101 G 8.41 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.41 4.90 4.35 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 1.32 0.00 0.00 103 K 8.95 4.85 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.56 7.81 104 L 9.39 5.12 0.00 1.79 1.99 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.69 5.24 0.00 2.02 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 0.00 2.45 2.31 0.00 106 I 7.98 3.98 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.36 0.62 0.00 0.00 107 K 8.79 4.21 0.00 1.90 1.72 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81