NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.3273 8.0276 122.5006 55.2379 42.9252 177.5109 18 Q 3.9654 7.8652 116.9440 57.4535 29.6364 174.5937 19 D 4.2316 8.2944 119.9280 53.1469 47.3800 177.0549 20 A 2.9094 7.7931 121.5575 52.2877 17.3049 174.9645 21 E 3.5162 5.9000 114.1075 57.1516 31.6132 177.8298 22 W 4.2322 4.9900 117.7995 59.7227 29.4177 176.0378 23 Y 4.8744 7.3592 114.9813 56.9600 38.2905 175.5227 24 W 4.4901 8.8186 123.8910 56.9752 30.3448 176.0681 25 G 4.0269 9.2566 108.0111 46.8888 0.0000 173.1978 26 D 4.3073 8.0854 118.9942 54.4936 40.5174 173.2857 27 I 4.5886 7.6771 121.8560 59.6375 38.2075 174.8153 28 S 4.8197 8.2162 114.0885 55.7271 68.3487 174.3073 29 R 3.9045 8.6987 121.7466 59.7867 29.5682 178.9316 30 E 3.9506 8.1076 117.7114 59.5295 29.6698 179.0297 31 E 3.9484 7.9920 117.6420 60.0378 29.7106 178.7022 32 V 3.0091 7.5013 117.2025 66.5412 31.4658 177.0786 33 N 4.1873 8.6277 115.6736 57.5084 38.7576 177.1430 34 E 3.9156 7.8615 118.5527 59.3821 29.6657 179.4599 35 K 4.3960 7.7969 116.6988 58.8133 32.6193 178.5208 36 L 4.4568 7.8602 116.4446 54.8742 41.4194 177.8570 37 R 4.0299 7.2494 118.1655 59.1621 29.0489 176.4836 38 D 4.5467 7.5231 114.1275 53.8287 43.1507 174.7957 39 T 4.0726 8.2295 112.5552 61.7586 68.0963 170.7887 40 A 3.5193 8.4549 135.0000 51.6919 19.2030 177.1080 41 D 4.6985 8.7974 120.8352 51.7983 40.9526 176.9475 42 G 5.0297 7.0598 123.5553 46.6891 0.0000 170.2145 43 T 5.3006 7.1967 118.3936 62.3206 71.8451 175.4165 44 F 5.3704 8.3818 113.7991 56.6187 40.3466 173.3965 45 L 4.9396 8.5311 122.7816 54.7319 43.7607 174.7664 46 V 4.3375 8.3443 117.8022 61.8178 33.8890 175.8503 47 R 4.5210 8.3350 123.6718 54.1906 33.4008 173.5005 48 D 4.7016 8.3843 126.3044 54.4927 41.2768 175.3672 49 A 4.7797 8.3560 135.0000 52.1334 19.1362 173.9743 50 S 4.2860 7.5644 114.3126 58.2893 63.4235 174.6875 51 T 3.0226 9.7377 122.3266 63.5933 64.8356 171.4880 52 K 3.6038 9.0184 123.2117 55.9978 31.4885 174.6940 53 M 3.1661 7.6915 115.6285 56.7080 31.6793 175.1122 54 H 5.0033 8.4810 120.1581 55.5607 35.2002 175.7201 55 G 3.7581 8.9588 116.1636 43.7274 0.0000 175.2433 56 D 4.2367 8.3788 118.0984 55.2377 39.3575 173.1485 57 Y 4.4532 7.9373 125.9662 57.3804 41.7758 173.9016 58 T 4.8112 8.4644 118.6149 63.2039 73.3215 173.5209 59 L 4.6889 8.9536 127.5979 54.8927 43.2405 176.2686 60 T 5.2459 8.6948 119.1578 61.8179 72.5177 172.9857 61 L 5.6914 8.7073 124.7979 51.7726 46.3569 175.8901 62 R 4.5057 8.6517 123.2806 55.0336 30.8800 176.4858 63 K 4.3791 8.6101 126.9357 56.9139 31.6643 177.8424 64 G 4.0113 7.9843 105.1641 46.3474 0.0000 174.8254 65 G 4.2103 7.5521 117.5659 45.4030 0.0000 174.1090 66 N 4.9468 7.2256 117.6084 51.0770 42.0421 172.5214 67 N 4.9303 8.7482 122.5303 53.0876 39.4385 174.3482 68 K 4.3302 9.3611 127.0955 55.4744 33.5920 175.2013 69 L 4.8528 8.5439 129.7793 54.3208 43.5355 175.6294 70 I 4.8107 8.9510 126.0683 59.5465 41.2731 174.6237 71 K 4.7899 8.9510 127.2947 55.7744 33.7874 175.3882 72 I 4.2685 7.8306 125.0007 59.7557 39.1718 175.9243 73 F 4.8270 7.2418 126.9367 56.7502 39.0104 174.8670 74 H 4.9895 8.6408 122.9499 54.4042 31.9315 173.1866 75 R 4.2608 7.3590 119.4773 56.9822 32.6088 174.9037 76 D 4.7851 8.2890 113.6956 52.9365 42.1952 174.8799 77 G 3.4169 8.2272 109.7063 44.9420 0.0000 174.8544 78 K 4.2534 7.3384 120.5987 56.3558 35.0244 175.2480 79 Y 4.5996 7.4208 113.7894 56.8992 42.0588 174.2916 80 G 4.5657 8.9784 110.2458 44.2734 0.0000 172.8320 81 F 4.3747 9.1130 124.6535 58.2981 43.3542 173.9144 82 S 4.6456 7.5501 114.6480 59.7499 68.0615 173.8775 83 D 4.6594 7.7212 122.6883 53.6679 42.0878 175.8868 84 P 4.6600 0.0000 0.0000 65.1061 28.6164 176.2295 85 L 4.4257 7.8141 117.4759 55.6627 39.9973 176.3261 86 T 4.3377 7.7887 117.4348 65.3316 69.6182 176.5410 87 F 4.7636 8.2591 117.2093 57.2126 39.0985 173.8625 88 N 4.7459 8.9799 112.3888 52.7343 45.0484 174.8842 89 S 4.9847 8.3580 113.8526 56.5659 66.5254 175.0908 90 V 3.6034 8.1945 123.7847 65.6071 31.4055 178.3384 91 V 3.5929 7.8525 117.7469 66.0375 31.1309 177.2834 92 E 3.9326 8.1881 117.0293 60.0507 29.6979 177.7247 93 L 3.8941 7.7456 120.7807 56.5881 41.9821 178.1459 94 I 3.4319 8.5443 118.8053 64.3412 37.8684 177.7732 95 N 4.2006 8.4159 118.0601 56.9864 38.6779 176.4070 96 H 3.9243 8.1000 118.0798 58.8652 29.9854 176.0381 97 Y 4.2430 7.5572 117.7050 60.1841 38.1164 177.4694 98 R 3.8351 8.3613 118.5202 59.6173 30.2511 178.3741 99 N 4.5146 7.8182 114.8128 53.2411 38.9968 175.6817 100 E 4.5321 8.1802 115.0499 55.8553 29.4431 179.1105 101 S 4.4666 8.6230 119.3576 59.0770 66.3524 175.0842 102 L 4.3730 7.7656 122.3135 53.0000 41.6459 178.8198 103 A 4.4441 8.3108 132.3250 52.6397 17.6341 176.7305 104 Q 2.5200 8.1805 116.0413 59.2755 27.6236 172.4816 105 Y 3.8703 7.5771 108.3122 58.3284 36.2886 170.5168 106 N 4.9126 8.1760 116.2319 51.4808 42.7612 174.5029 107 P 4.4797 0.0000 0.0000 63.5479 31.6977 176.8701 108 K 4.1118 9.3485 118.1575 57.7750 31.1465 175.4946 109 L 4.6623 8.1486 116.2395 54.7006 43.4483 174.0650 110 D 4.5795 7.9279 116.4153 52.9048 41.7616 174.7212 111 V 4.5816 8.2099 118.5532 61.4182 35.6976 173.6807 112 K 4.7799 8.6780 123.4667 53.9446 34.8103 176.8745 113 L 4.8268 7.8962 123.7942 54.3309 39.4771 176.0609 114 L 4.4670 6.9929 117.2753 55.4525 43.1608 177.7254 115 Y 4.9046 7.6896 113.9386 56.0502 38.6957 172.7084 116 P 4.3764 0.0000 0.0000 61.9686 33.0838 176.8210 117 V 4.6160 7.4976 110.4766 59.9661 35.6567 176.1057 118 S 3.4271 7.6684 115.2460 58.5517 65.6921 176.5866 119 K 4.4256 8.2889 121.2220 56.1521 33.9025 175.6854 120 Y 3.9167 8.0257 122.4388 58.2972 37.7540 175.6660 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 17 L 8.03 4.33 0.00 1.79 1.74 1.09 0.52 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 18 Q 7.87 3.97 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 19 D 8.29 4.23 0.00 2.76 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 20 A 7.79 2.91 0.82 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 21 E 5.90 3.52 0.00 1.16 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 1.47 1.50 0.00 22 W 4.99 4.23 0.00 3.17 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 23 Y 7.36 4.87 0.00 2.88 2.76 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 24 W 8.82 4.49 0.00 3.19 3.25 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 25 G 9.26 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 0.00 0.00 0.00 26 D 8.09 4.31 0.00 2.92 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 27 I 7.68 4.59 1.82 0.00 0.00 0.45 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 0.77 1.01 0.00 0.00 28 S 8.22 4.82 0.00 3.82 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 29 R 8.70 3.90 0.00 1.83 2.00 0.00 3.13 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 30 E 8.11 3.95 0.00 2.01 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 2.40 2.41 0.00 31 E 7.99 3.95 0.00 1.85 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 0.00 2.47 2.40 0.00 32 V 7.50 3.01 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 0.94 0.00 0.00 0.64 0.00 0.00 33 N 8.63 4.19 0.00 2.94 2.84 0.00 0.00 7.36 6.94 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 34 E 7.86 3.92 0.00 2.37 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 0.00 2.40 2.52 0.00 35 K 7.80 4.40 0.00 2.04 2.08 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 2.02 7.81 36 L 7.86 4.46 0.00 1.73 1.72 1.05 1.20 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 37 R 7.25 4.03 0.00 1.95 2.24 0.00 3.18 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 38 D 7.52 4.55 0.00 2.61 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 39 T 8.23 4.07 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 1.31 0.00 0.00 40 A 8.45 3.52 1.31 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 41 D 8.80 4.70 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.06 5.03 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 0.00 43 T 7.20 5.30 4.38 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 1.39 0.00 0.00 44 F 8.38 5.37 0.00 3.08 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 45 L 8.53 4.94 0.00 1.56 1.89 0.89 0.37 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 46 V 8.34 4.34 1.50 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 0.64 0.00 0.00 -0.35 0.00 0.00 47 R 8.34 4.52 0.00 1.99 1.69 0.00 3.30 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 48 D 8.38 4.70 0.00 2.89 2.81 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 49 A 8.36 4.78 1.16 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 0.00 0.00 50 S 7.56 4.29 0.00 3.89 3.22 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 51 T 9.74 3.02 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 1.21 0.00 0.00 52 K 9.02 3.60 0.00 1.86 1.93 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.49 7.81 53 M 7.69 3.17 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 54 H 8.48 5.00 0.00 3.08 2.84 0.00 5.74 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 55 G 8.96 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 0.00 0.00 0.00 56 D 8.38 4.24 0.00 2.76 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 57 Y 7.94 4.45 0.00 2.97 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 58 T 8.46 4.81 4.44 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 1.32 0.00 0.00 59 L 8.95 4.69 0.00 1.76 1.71 0.71 0.13 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 60 T 8.69 5.25 4.24 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 1.22 0.00 0.00 61 L 8.71 5.69 0.00 1.65 1.79 0.99 0.93 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 R 8.65 4.51 0.00 2.00 1.97 0.00 3.25 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 63 K 8.61 4.38 0.00 2.01 1.82 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81 64 G 7.98 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 65 G 7.55 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 0.00 0.00 0.00 0.00 66 N 7.23 4.95 0.00 2.71 2.61 0.00 0.00 7.22 6.73 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 67 N 8.75 4.93 0.00 2.65 2.78 0.00 0.00 6.93 7.73 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 68 K 9.36 4.33 0.00 1.82 1.74 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.42 7.81 69 L 8.54 4.85 0.00 1.71 1.58 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.95 4.81 2.22 0.00 0.00 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 1.31 0.89 1.12 0.00 0.00 71 K 8.95 4.79 0.00 1.88 1.91 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.60 7.81 72 I 7.83 4.27 2.21 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 1.15 0.00 0.00 73 F 7.24 4.83 0.00 3.03 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 74 H 8.64 4.99 0.00 2.79 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.36 4.26 0.00 1.64 1.66 0.00 3.19 0.00 0.00 3.11 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 76 D 8.29 4.79 0.00 2.54 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 77 G 8.23 3.42 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 0.00 78 K 7.34 4.25 0.00 1.58 1.98 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.30 7.81 79 Y 7.42 4.60 0.00 2.74 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 80 G 8.98 4.57 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 0.00 0.00 0.00 81 F 9.11 4.37 0.00 2.94 3.04 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 82 S 7.55 4.65 0.00 3.83 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 83 D 7.72 4.66 0.00 2.73 2.90 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 84 P 0.00 4.66 0.00 2.27 2.28 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 85 L 7.81 4.43 0.00 1.79 1.73 1.03 1.01 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 86 T 7.79 4.34 4.54 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 1.27 0.00 0.00 87 F 8.26 4.76 0.00 3.24 3.04 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 88 N 8.98 4.75 0.00 2.76 2.86 0.00 0.00 6.63 7.59 0.00 0.00 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 S 8.36 4.98 0.00 4.13 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 90 V 8.19 3.60 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.10 0.00 0.00 91 V 7.85 3.59 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 1.34 0.00 0.00 1.10 0.00 0.00 92 E 8.19 3.93 0.00 2.07 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 0.00 2.28 2.40 0.00 93 L 7.75 3.89 0.00 1.42 1.56 0.84 0.75 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 94 I 8.54 3.43 1.43 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 -0.41 0.00 0.00 95 N 8.42 4.20 0.00 2.83 3.01 0.00 0.00 6.81 7.46 0.00 0.00 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 H 8.10 3.92 0.00 3.18 2.97 0.00 5.79 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.56 4.24 0.00 3.08 2.79 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 98 R 8.36 3.84 0.00 1.92 2.01 0.00 3.37 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 99 N 7.82 4.51 0.00 2.52 2.78 0.00 0.00 6.83 7.73 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 0.00 100 E 8.18 4.53 0.00 1.82 1.12 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 2.14 2.25 0.00 101 S 8.62 4.47 0.00 3.81 3.85 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 0.00 0.00 0.00 102 L 7.77 4.37 0.00 1.44 1.29 0.64 -0.05 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 0.00 103 A 8.31 4.44 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 0.00 104 Q 8.18 2.52 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.15 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 105 Y 7.58 3.87 0.00 3.12 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 0.00 106 N 8.18 4.91 0.00 2.69 2.61 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 0.00 107 P 0.00 4.48 0.00 2.25 2.21 0.00 3.86 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 2.07 1.99 0.00 108 K 9.35 4.11 0.00 1.92 2.01 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.40 7.81 109 L 8.15 4.66 0.00 1.60 1.56 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.93 4.58 0.00 2.59 2.58 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 0.00 0.00 0.00 111 V 8.21 4.58 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 1.03 0.00 0.00 0.90 0.00 0.00 112 K 8.68 4.78 0.00 1.67 1.63 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.44 7.81 113 L 7.90 4.83 0.00 1.07 1.30 0.35 0.20 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 0.00 114 L 6.99 4.47 0.00 0.61 1.33 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.69 4.90 0.00 3.27 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 0.00 116 P 0.00 4.38 0.00 2.06 1.46 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 117 V 7.50 4.62 2.46 0.00 0.00 0.00 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 1.12 0.00 0.00 118 S 7.67 3.43 0.00 3.65 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.29 4.43 0.00 1.51 1.53 0.00 1.56 0.00 0.00 1.20 0.00 0.00 2.46 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.49 0.96 7.81 120 Y 8.03 3.92 0.00 2.72 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