NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2858 8.0249 121.4526 61.2921 38.7556 174.5350 3 Q 4.5081 9.1826 125.1876 54.3566 31.0244 173.1678 4 M 5.2133 9.3288 122.4661 53.8793 36.0229 174.5473 5 T 4.6123 9.0814 120.4775 61.8420 71.3765 172.9196 6 Q 5.1816 8.7604 127.6120 54.8510 31.4002 174.5008 7 S 4.8259 9.0626 118.9547 56.4259 66.4085 172.2521 8 P 4.8110 0.0000 0.0000 62.0646 32.6522 175.9742 9 S 4.5633 8.5000 112.2137 60.7640 64.1809 173.9701 10 S 5.2362 7.8524 112.2175 57.7759 65.2532 174.2045 11 L 4.5987 8.4755 119.8786 55.0869 43.9857 173.8360 12 S 5.2906 8.6641 115.7712 56.8798 65.5261 173.3497 13 A 4.7909 9.0095 125.3480 50.3335 22.5331 175.3225 14 S 5.0794 8.3545 114.8459 56.4447 65.0576 174.2056 15 L 4.0786 8.2892 121.7569 56.3192 41.5895 177.8406 16 G 3.9017 9.1362 111.0051 45.1893 0.0000 173.8693 17 G 3.9160 7.3559 106.0834 45.2094 0.0000 172.1999 18 K 5.1002 8.3627 120.2536 54.5179 34.4458 175.6581 19 V 4.5657 8.4300 119.2436 59.8295 35.5454 174.6919 20 T 4.8743 8.2856 118.6504 61.8918 71.9166 173.3455 21 I 4.8120 8.9616 126.3722 59.6695 41.0105 174.5872 22 T 5.4445 9.3720 114.3712 60.3962 72.7481 171.8095 23 C 5.4641 9.4310 121.2161 55.0988 46.8155 172.3901 24 K 5.3446 9.4832 126.6436 54.7276 34.7001 175.1503 25 A 5.1496 9.0574 129.7796 50.7440 20.7377 176.3816 26 N 4.8676 8.4265 115.5953 52.8731 38.0040 174.6667 27 Q 4.4632 7.5136 115.5541 55.2816 30.9117 173.0570 28 D 4.5469 8.7502 118.9810 54.8734 41.4131 175.5846 29 I 4.2622 8.5231 119.1921 59.6979 37.9040 175.8532 30 K 3.9261 9.4649 118.5691 58.1461 30.0219 175.7615 31 K 4.0235 8.1329 113.1269 56.6114 31.1314 176.7037 32 K 4.2369 7.6008 121.3151 54.9887 30.1042 175.4905 33 I 4.7509 7.0587 121.4589 58.8240 42.2099 173.9830 34 A 5.3416 8.8782 128.5096 50.1550 23.2757 174.7290 35 W 5.1406 9.1101 118.4510 55.0907 32.7746 174.5314 36 Y 5.0904 9.4769 121.5703 56.1844 41.3809 174.1818 37 Q 4.3189 9.0108 123.7345 54.5032 31.9185 173.8006 38 H 5.0958 9.0365 126.3135 54.3619 32.1366 171.8041 39 K 4.7514 8.4194 125.4757 54.0992 33.8816 174.8999 40 P 4.2318 0.0000 0.0000 64.5613 31.3544 176.6659 41 G 3.9883 9.2685 111.3053 44.8202 0.0000 172.7665 42 K 4.6740 7.8132 117.9016 54.1612 35.4213 176.0478 43 G 3.9621 8.3228 109.4040 44.0919 0.0000 171.9020 44 P 4.5619 0.0000 0.0000 62.7392 32.2635 176.0238 45 R 4.6603 9.1113 123.0295 54.2327 33.0602 174.1756 46 L 3.3688 8.7180 128.9273 55.2053 42.3664 175.4552 47 L 4.6050 8.7547 125.1175 55.8123 44.5035 176.5597 48 I 5.2872 7.5821 117.8618 59.7532 41.8360 173.9319 49 Y 5.2835 8.5665 122.7264 54.9563 42.2030 173.7099 50 Y 4.4161 9.7379 117.7030 58.0357 38.0258 171.6130 51 T 3.9307 8.4667 123.6374 64.4769 68.1389 174.4113 52 S 4.8188 7.6757 109.2445 57.6482 64.4945 173.4702 53 T 4.0808 7.9674 120.0738 63.0901 69.2355 173.5860 54 L 4.4129 8.3610 129.5040 54.1431 43.0715 176.3407 55 K 4.4353 9.0504 128.9083 56.1704 33.4786 176.3070 56 S 4.3791 8.8147 121.5770 60.2666 63.0539 174.7664 57 G 4.0074 9.1368 113.0382 45.1009 0.0000 173.1151 58 I 4.3337 7.3159 120.4303 59.6354 38.6137 175.7613 59 S 4.2510 8.8368 118.8078 58.7747 62.6165 174.9332 60 S 4.5184 8.5595 119.7755 59.5905 63.1262 175.0929 61 R 3.9276 7.9353 121.2217 58.2687 30.7319 176.1375 62 F 5.1193 7.6115 117.8555 56.2560 40.4617 175.3771 63 S 4.6885 8.5013 116.3881 57.6262 66.7904 172.8430 64 G 4.6773 8.6242 106.0347 45.4045 0.0000 171.6433 65 S 4.6832 9.1581 114.7738 57.2539 67.1053 172.6201 66 G 4.1862 8.1608 105.9711 43.5164 0.0000 172.5539 67 S 4.4174 8.0692 112.7733 58.2176 67.3798 180.4061 68 G 3.9098 8.3326 113.1637 47.1868 0.0000 176.7853 69 R 4.5883 8.8273 126.8681 55.7605 31.7020 174.5158 70 D 5.4108 7.5963 118.6832 52.6348 43.3002 175.0692 71 Y 5.3148 9.0737 120.0876 56.4755 42.8189 174.5733 72 S 5.3650 9.4989 116.6103 57.0186 67.9669 172.9436 73 F 4.8144 8.7619 123.8280 56.5141 42.5300 173.6491 74 S 4.7087 8.1748 120.6775 56.5232 67.5807 173.0461 75 I 4.3485 8.0997 122.5564 59.7325 39.7957 175.1706 76 S 4.6204 8.5159 123.5817 56.5915 64.7534 173.6625 77 N 4.0966 8.2086 117.3158 52.6367 37.0058 174.6429 78 L 3.9729 7.8499 118.1087 55.7897 43.0166 177.4003 79 E 5.0124 9.4288 122.0603 53.5720 32.6929 175.3521 80 P 4.2967 0.0000 0.0000 65.9898 31.4451 178.5204 81 E 4.2826 8.0901 114.9431 58.1047 29.4792 177.2936 82 D 4.6938 8.0647 118.1078 55.6303 41.2583 176.2830 83 A 4.3408 7.8868 121.6320 52.8209 18.8664 176.8540 84 A 4.2309 8.0007 122.3426 52.6839 24.4386 174.2162 85 T 4.9521 7.7974 114.2949 62.3730 70.7373 173.9353 86 Y 5.1542 8.9991 124.1545 56.5432 41.0047 174.4281 87 Y 5.4077 9.2253 120.1219 56.4502 42.2712 172.5969 88 C 4.1207 8.8865 117.3664 54.2926 42.3986 172.4043 89 L 4.5633 7.9830 122.3043 53.7107 45.1025 174.5857 90 Q 4.5914 8.5053 125.5699 54.7843 30.7245 175.4884 91 Y 5.7687 7.5234 119.8038 55.9041 38.4618 175.2072 92 D 4.4473 8.6535 119.1219 55.3234 42.2371 174.7255 93 N 4.1010 9.0435 118.1860 55.5745 37.4172 173.5652 94 F 3.7330 8.2658 109.4628 58.2524 37.0650 174.8227 95 T 4.9428 7.7280 107.6632 60.1283 73.1344 172.9248 96 W 5.6570 8.6684 120.3459 55.3554 32.9599 175.5016 97 T 4.5345 8.2916 119.8969 62.1317 71.9057 173.2910 98 F 4.7947 8.8806 125.5866 56.6078 40.3674 176.0934 99 G 3.9798 8.8397 110.1870 45.4348 0.0000 174.2191 100 G 3.8108 8.7759 108.2261 46.7382 0.0000 175.1785 101 G 3.5258 8.6940 105.0481 45.7084 0.0000 173.0447 102 T 4.7441 8.3474 116.1888 61.3645 72.4062 173.0844 103 K 4.4939 8.9681 129.1628 55.5812 33.1351 175.0104 104 L 5.0426 9.1787 131.0585 53.7166 43.8133 174.7766 105 E 4.8652 9.0976 125.9183 54.7174 32.4953 175.3227 106 I 4.8706 8.3345 123.4207 60.0714 39.1113 175.1159 107 K 4.7479 8.9414 123.9568 54.8225 35.6554 176.9184 108 R 4.1728 8.2741 121.0322 56.6615 31.1939 175.0434 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 I 8.02 4.29 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.91 0.00 0.00 3 Q 9.18 4.51 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 4 M 9.33 5.21 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 5 T 9.08 4.61 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 8.76 5.18 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 7 S 9.06 4.83 0.00 3.93 3.68 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 0.00 0.00 0.00 0.00 8 P 0.00 4.81 0.00 2.40 2.08 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 9 S 8.50 4.56 0.00 3.94 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 10 S 7.85 5.24 0.00 3.86 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 11 L 8.48 4.60 0.00 1.73 1.77 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.66 5.29 0.00 3.73 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 13 A 9.01 4.79 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 14 S 8.35 5.08 0.00 3.77 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 15 L 8.29 4.08 0.00 1.62 1.59 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.14 3.90 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 0.00 0.00 0.00 17 G 7.36 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 18 K 8.36 5.10 0.00 1.63 1.57 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.38 7.81 19 V 8.43 4.57 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 0.61 0.00 0.00 0.76 0.00 0.00 20 T 8.29 4.87 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 I 8.96 4.81 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 1.22 0.00 0.00 22 T 9.37 5.44 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 1.26 0.00 0.00 23 C 9.43 5.46 0.00 3.26 3.15 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 24 K 9.48 5.34 0.00 1.84 1.64 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 25 A 9.06 5.15 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 26 N 8.43 4.87 0.00 2.77 2.94 0.00 0.00 6.77 7.30 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 27 Q 7.51 4.46 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 28 D 8.75 4.55 0.00 2.68 2.66 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 29 I 8.52 4.26 1.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.47 0.92 0.00 0.00 30 K 9.46 3.93 0.00 1.88 1.97 0.00 1.90 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.56 7.81 31 K 8.13 4.02 0.00 1.74 1.20 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.38 7.81 32 K 7.60 4.24 0.00 1.41 0.74 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 33 I 7.06 4.75 0.96 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.03 0.52 0.00 0.00 34 A 8.88 5.34 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 35 W 9.11 5.14 0.00 2.93 2.36 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 36 Y 9.48 5.09 0.00 2.99 2.88 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 37 Q 9.01 4.32 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.02 1.57 0.00 38 H 9.04 5.10 0.00 3.28 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.42 4.75 0.00 1.76 1.70 0.00 1.92 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.40 7.81 40 P 0.00 4.23 0.00 2.15 2.05 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 41 G 9.27 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.81 4.67 0.00 1.85 1.72 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.50 7.81 43 G 8.32 3.96 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 0.00 0.00 0.00 44 P 0.00 4.56 0.00 1.89 1.85 0.00 3.54 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.45 0.00 45 R 9.11 4.66 0.00 1.84 1.73 0.00 3.09 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 46 L 8.72 3.37 0.00 1.36 1.44 0.37 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.75 4.61 0.00 1.63 1.50 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.58 5.29 2.19 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 1.14 0.00 0.00 49 Y 8.57 5.28 0.00 3.05 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 50 Y 9.74 4.42 0.00 3.35 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 51 T 8.47 3.93 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 1.45 0.00 0.00 52 S 7.68 4.82 0.00 3.92 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 53 T 7.97 4.08 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 0.83 0.00 0.00 54 L 8.36 4.41 0.00 1.65 1.58 1.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.05 4.44 0.00 2.08 1.83 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.51 7.81 56 S 8.81 4.38 0.00 4.06 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 57 G 9.14 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 58 I 7.32 4.33 2.06 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 1.36 0.91 1.04 0.00 0.00 59 S 8.84 4.25 0.00 3.95 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 60 S 8.56 4.52 0.00 4.00 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 61 R 7.94 3.93 0.00 1.19 1.73 0.00 3.09 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 62 F 7.61 5.12 0.00 3.03 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 63 S 8.50 4.69 0.00 3.80 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 64 G 8.62 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.16 4.68 0.00 3.86 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 66 G 8.16 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 0.00 0.00 0.00 0.00 67 S 8.07 4.42 0.00 3.91 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 68 G 8.33 3.91 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 0.00 0.00 0.00 69 R 8.83 4.59 0.00 1.87 2.14 0.00 3.10 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 70 D 7.60 5.41 0.00 2.44 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 71 Y 9.07 5.31 0.00 3.12 3.15 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 72 S 9.50 5.37 0.00 3.70 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 73 F 8.76 4.81 0.00 1.51 1.45 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 74 S 8.17 4.71 0.00 3.42 3.38 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 75 I 8.10 4.35 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.35 0.63 0.00 0.00 76 S 8.52 4.62 0.00 3.55 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 77 N 8.21 4.10 0.00 2.69 2.67 0.00 0.00 7.33 7.78 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 78 L 7.85 3.97 0.00 1.67 1.60 0.88 0.85 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 79 E 9.43 5.01 0.00 1.92 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 2.35 2.35 0.00 80 P 0.00 4.30 0.00 2.19 2.12 0.00 3.61 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 2.12 2.13 0.00 81 E 8.09 4.28 0.00 2.02 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 0.00 2.36 2.43 0.00 82 D 8.06 4.69 0.00 2.95 2.93 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 83 A 7.89 4.34 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 84 A 8.00 4.23 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 85 T 7.80 4.95 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 0.79 0.00 0.00 86 Y 9.00 5.15 0.00 3.02 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 87 Y 9.23 5.41 0.00 2.94 2.93 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 C 8.89 4.12 0.00 1.82 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 89 L 7.98 4.56 0.00 1.14 1.31 -0.12 -0.77 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 90 Q 8.51 4.59 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 91 Y 7.52 5.77 0.00 3.04 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 92 D 8.65 4.45 0.00 2.61 2.60 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 93 N 9.04 4.10 0.00 2.91 2.90 0.00 0.00 7.18 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 94 F 8.27 3.73 0.00 3.15 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 95 T 7.73 4.94 4.31 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 1.32 0.00 0.00 96 W 8.67 5.66 0.00 2.93 2.85 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 97 T 8.29 4.53 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 1.27 0.00 0.00 98 F 8.88 4.79 0.00 2.82 2.85 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 99 G 8.84 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.78 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 0.00 0.00 0.00 101 G 8.69 3.53 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 0.00 0.00 0.00 102 T 8.35 4.74 4.37 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 1.32 0.00 0.00 103 K 8.97 4.49 0.00 1.85 1.70 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 104 L 9.18 5.04 0.00 1.92 2.00 0.94 0.72 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 0.00 105 E 9.10 4.87 0.00 1.95 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 2.25 2.28 0.00 106 I 8.33 4.87 1.89 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 1.39 0.84 0.97 0.00 0.00 107 K 8.94 4.75 0.00 1.64 1.66 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.38 7.81 108 R 8.27 4.17 0.00 1.73 1.75 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00