NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3716 8.3344 115.2910 58.0523 63.7447 172.8527 2 N 4.4253 8.3367 116.9852 53.2445 39.3694 175.1270 3 I 4.2936 7.9294 122.6383 61.2556 37.5608 176.9732 4 I 4.5357 8.5290 113.4587 60.9705 40.1292 175.9296 5 K 4.5478 8.0956 116.4737 56.3830 32.8446 176.2149 6 Q 4.2592 8.0127 120.7288 57.3713 29.7078 175.5383 7 L 4.9975 7.6402 117.4288 53.6197 41.0117 176.5000 8 E 4.8774 7.7532 113.3122 56.3563 33.3301 176.8351 9 Q 4.5860 8.3953 117.3090 57.4642 28.9769 176.6157 10 E 4.2104 7.1738 118.9639 57.5595 30.1110 176.3006 11 Q 4.1772 7.6202 117.0512 56.9940 29.4821 177.0627 12 M 3.1437 8.5307 122.5161 55.6265 29.3512 176.9896 13 K 4.6541 7.7204 115.4085 56.8761 33.6318 177.0356 14 Q 4.4457 8.6989 122.2581 56.2790 26.6045 174.3477 15 D 4.6156 8.5447 117.9466 54.4963 40.1208 178.9165 16 V 3.2375 7.4547 118.7234 60.0166 28.2475 171.4961 17 P 4.3348 0.0000 0.0000 63.1108 30.7587 176.6304 18 S 3.3174 8.5115 116.6191 57.9616 63.2649 174.7900 19 F 4.1305 6.3643 124.4142 60.1232 39.0468 176.1731 20 R 4.7017 7.6304 117.6306 53.5199 32.4496 173.8381 21 P 4.1842 0.0000 0.0000 62.2002 32.2735 176.3369 22 G 3.9715 9.0109 105.2996 46.1505 0.0000 172.8394 23 D 4.1742 7.8353 123.9459 54.2119 40.3424 175.0996 24 T 3.7981 9.0717 104.7313 65.2804 68.5989 174.4566 25 V 3.3202 7.0598 119.8307 59.8392 32.0830 175.6927 26 E 4.7555 8.3917 125.4993 54.7340 28.3501 175.0152 27 V 4.0322 7.7250 116.6445 61.3796 32.8775 176.9366 28 K 4.8899 8.9850 125.9914 56.5758 33.1106 178.3098 29 V 3.9192 8.1118 124.9701 60.7059 33.5929 173.4985 30 W 5.0540 7.3492 116.7746 58.1111 29.8047 173.8058 31 V 4.2967 8.3784 118.4091 62.8299 31.8510 170.5871 32 V 4.3843 7.7175 116.8855 61.7221 32.7346 172.2615 33 E 4.1322 8.3210 120.7441 56.4352 29.4751 176.5029 34 G 3.6261 8.0479 112.4013 44.5443 0.0000 176.0111 35 S 3.9845 8.1501 120.8960 57.7230 62.7248 170.7540 36 K 4.5283 8.2698 119.1719 54.9521 34.2509 175.0484 37 K 3.7382 8.7922 119.5006 57.6356 32.0371 176.1895 38 R 4.0979 8.3322 125.5121 56.7293 28.2510 176.1589 39 L 4.4422 8.2706 117.3407 55.2135 45.4184 175.5866 40 Q 3.9083 8.2363 118.7087 56.4519 28.9880 176.8468 41 A 4.5267 8.2470 126.9729 51.0393 20.9524 175.7417 42 F 4.5687 8.9674 111.2458 58.0476 38.8276 172.3672 43 E 4.3219 8.4999 119.6087 56.8147 31.9942 174.5026 44 G 4.4526 8.2252 104.1458 45.5886 0.0000 173.5180 45 V 4.5128 7.9445 120.2205 60.3836 34.4211 173.2332 46 V 4.0710 8.5006 124.6791 62.9050 32.2558 175.5113 47 I 5.1514 7.8209 124.8053 60.4517 39.2039 172.8255 48 A 4.5845 7.7635 124.4581 53.6214 24.2034 175.7874 49 I 4.5580 8.0584 122.1127 61.0351 35.2766 177.4177 50 R 3.5298 9.3368 126.1531 57.2505 27.9095 175.5176 51 N 4.2005 7.0267 112.3956 54.0098 39.2400 173.7979 52 R 4.3772 8.1696 117.8458 56.0886 32.7619 173.0766 53 G 4.3814 8.6930 108.4838 44.3459 0.0000 173.9945 54 L 5.0990 8.2575 123.8062 53.4128 44.2342 174.5992 55 H 4.1891 8.9668 117.0127 57.5657 27.6375 176.5560 56 S 4.3816 7.7787 111.7128 59.4569 63.6457 175.5013 57 A 4.4818 7.6101 133.3480 49.6462 18.9837 176.3343 58 F 4.9882 8.4678 117.3780 56.6056 40.8161 174.6810 59 T 4.4187 8.2377 114.2153 62.8401 72.3674 174.5566 60 V 3.6480 8.1237 119.7899 63.9484 31.0610 178.8272 61 R 4.2661 8.0236 116.8585 56.1837 33.1717 174.7280 62 K 4.0430 7.5105 117.8768 56.6023 31.0202 176.9819 63 I 3.5489 7.7597 123.3673 64.3159 37.6131 177.4396 64 S 3.8003 7.5427 110.4936 59.0137 61.2299 172.1123 65 N 4.5479 7.6385 116.9871 53.0272 39.8548 174.1223 66 G 3.7544 8.9632 115.5117 48.8438 0.0000 172.7184 67 E 3.5564 7.8253 119.5289 56.6181 30.2278 177.7932 68 G 3.8360 8.6491 112.9524 44.3322 0.0000 172.4615 69 V 3.8465 8.2801 117.2575 65.6346 32.7429 175.9502 70 E 4.7870 7.4984 120.7746 56.1390 35.7986 179.0358 71 R 4.2293 8.9103 126.0952 57.8387 32.9458 170.6793 72 V 3.2963 8.8908 112.8254 60.6945 30.1630 169.3129 73 F 3.5912 8.7277 114.6677 57.2524 38.3202 174.0157 74 Q 4.8812 8.0081 120.0811 56.0585 30.5218 172.7728 75 T 4.4349 7.8341 120.2859 61.1657 69.2094 173.2488 76 H 4.6595 8.4256 123.9674 55.5136 29.3979 174.4002 77 S 4.8720 7.5879 117.3524 55.9126 64.4991 172.7416 78 P 4.7200 0.0000 0.0000 62.4688 32.4535 175.1627 79 V 4.5052 8.0095 115.5379 60.4934 33.4838 173.8081 80 V 3.6855 8.5440 115.2602 64.2400 31.9407 177.0418 81 D 4.9330 7.8300 119.0528 51.7033 38.2237 175.1346 82 S 5.3844 7.5363 114.7108 57.6202 66.2847 172.0158 83 I 4.1519 5.4200 123.1334 59.3552 40.8897 174.3366 84 S 3.8922 7.9422 117.3040 58.2743 63.2958 174.7257 85 V 4.8850 7.5470 122.2356 60.5483 33.9849 173.0741 86 K 4.4193 8.2707 119.3997 56.5234 34.3600 174.3871 87 R 4.9060 8.0737 115.3869 57.5645 32.4988 175.4543 88 R 4.4732 7.7039 116.9395 57.3189 32.4663 175.2703 89 G 3.6090 8.9044 106.3340 44.9270 0.0000 172.5576 90 A 4.1185 8.5102 125.5642 51.3188 18.4694 177.7378 91 V 3.8426 8.0361 119.9963 65.0753 32.7630 172.6158 92 R 4.3963 7.7000 115.6035 57.8614 34.9609 172.6610 93 K 4.2665 7.4770 119.2843 56.7872 34.1355 174.8984 94 A 5.0288 7.5432 129.1594 51.1207 17.3005 176.7852 95 K 4.6434 6.5737 115.7478 55.3237 33.9746 172.8628 96 L 4.3796 8.2295 123.9785 54.7209 41.5276 175.4783 97 Y 4.2570 7.9625 125.2244 57.0433 34.1807 170.1561 98 Y 4.2460 6.0233 121.9723 54.7891 38.9292 172.8158 99 L 4.2755 7.2493 124.9345 51.7020 43.0425 179.2744 100 R 4.0319 6.9238 125.6862 53.9999 30.2771 175.7735 101 E 3.4799 9.2261 120.7783 58.6952 28.3584 175.4860 102 R 3.4073 8.7320 116.7807 58.0029 30.2715 177.0238 103 T 4.4295 8.4989 112.8853 61.1830 69.5254 174.4694 104 G 4.0687 9.9561 115.2769 45.4178 0.0000 174.0769 105 K 4.2797 6.9226 115.1546 55.6077 34.1248 172.8488 106 A 4.4748 8.0989 122.1107 49.5709 20.5458 175.0219 107 A 4.7481 7.7925 126.3826 51.4662 21.6233 174.9157 108 R 4.1049 7.9867 113.5442 58.6506 30.4859 179.2708 109 I 3.8570 7.7676 117.0242 63.4594 38.4940 178.2382 110 K 4.0442 7.6310 119.8867 59.0420 31.8085 177.4093 111 E 4.2500 8.0908 116.4212 55.7530 30.7183 176.2629 112 R 3.8991 8.5787 114.2073 56.5704 27.8357 175.9380 113 L 4.6332 7.3309 116.0755 53.2218 45.3614 175.2996 114 N 4.4638 8.6917 121.4196 53.9572 38.8824 174.6065 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 S 8.33 4.37 0.00 3.85 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 2 N 8.34 4.43 0.00 2.92 2.67 0.00 0.00 6.95 6.93 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 3 I 7.93 4.29 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 0.92 0.00 0.00 4 I 8.53 4.54 1.89 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 1.36 0.54 0.92 0.00 0.00 5 K 8.10 4.55 0.00 1.89 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.34 7.81 6 Q 8.01 4.26 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 7.53 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 7 L 7.64 5.00 0.00 1.64 1.61 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.75 4.88 0.00 2.14 2.12 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 2.30 2.38 0.00 9 Q 8.40 4.59 0.00 2.38 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 10 E 7.17 4.21 0.00 2.27 2.06 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 2.29 2.39 0.00 11 Q 7.62 4.18 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 12 M 8.53 3.14 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 13 K 7.72 4.65 0.00 1.90 2.09 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.58 7.81 14 Q 8.70 4.45 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.13 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 15 D 8.54 4.62 0.00 2.77 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 16 V 7.45 3.24 2.05 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 0.74 0.00 0.00 0.88 0.00 0.00 17 P 0.00 4.33 0.00 1.86 1.51 0.00 3.75 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 1.86 1.68 0.00 18 S 8.51 3.32 0.00 3.85 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 19 F 6.36 4.13 0.00 3.14 3.08 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 0.00 20 R 7.63 4.70 0.00 1.90 1.93 0.00 3.41 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 21 P 0.00 4.18 0.00 2.12 2.05 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 2.12 2.20 0.00 22 G 9.01 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 23 D 7.84 4.17 0.00 2.99 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 24 T 9.07 3.80 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 1.20 0.00 0.00 25 V 7.06 3.32 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 0.84 0.00 0.00 1.08 0.00 0.00 26 E 8.39 4.76 0.00 1.96 1.91 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 2.16 2.31 0.00 27 V 7.73 4.03 2.25 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 0.83 0.00 0.00 0.99 0.00 0.00 28 K 8.99 4.89 0.00 1.82 1.88 0.00 1.25 0.00 0.00 2.49 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.32 7.81 29 V 8.11 3.92 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 0.58 0.00 0.00 -0.27 0.00 0.00 30 W 7.35 5.05 0.00 3.42 3.29 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 31 V 8.38 4.30 2.06 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 0.73 0.00 0.00 0.95 0.00 0.00 32 V 7.72 4.38 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 0.74 0.00 0.00 0.97 0.00 0.00 33 E 8.32 4.13 0.00 1.96 1.89 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 2.45 2.22 0.00 34 G 8.05 3.63 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 0.00 0.00 0.00 35 S 8.15 3.98 0.00 4.01 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 36 K 8.27 4.53 0.00 1.72 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.55 7.81 37 K 8.79 3.74 0.00 1.86 1.92 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.50 7.81 38 R 8.33 4.10 0.00 1.79 1.94 0.00 3.44 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 L 8.27 4.44 0.00 1.65 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.24 3.91 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 41 A 8.25 4.53 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 42 F 8.97 4.57 0.00 3.27 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 43 E 8.50 4.32 0.00 1.80 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 2.10 2.27 0.00 44 G 8.23 4.45 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 0.00 0.00 0.00 45 V 7.94 4.51 2.11 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 0.56 0.00 0.00 1.04 0.00 0.00 46 V 8.50 4.07 2.06 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 0.78 0.00 0.00 0.93 0.00 0.00 47 I 7.82 5.15 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.89 0.00 0.00 48 A 7.76 4.58 1.19 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 49 I 8.06 4.56 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.14 0.96 0.00 0.00 50 R 9.34 3.53 0.00 1.90 1.85 0.00 3.07 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 51 N 7.03 4.20 0.00 2.94 2.89 0.00 0.00 6.61 7.54 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 52 R 8.17 4.38 0.00 1.76 1.81 0.00 3.25 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 53 G 8.69 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 0.00 0.00 0.00 0.00 54 L 8.26 5.10 0.00 1.68 1.75 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.97 4.19 0.00 3.29 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 56 S 7.78 4.38 0.00 3.99 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 57 A 7.61 4.48 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 58 F 8.47 4.99 0.00 3.13 3.43 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 59 T 8.24 4.42 4.27 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 1.23 0.00 0.00 60 V 8.12 3.65 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 0.69 0.00 0.00 0.86 0.00 0.00 61 R 8.02 4.27 0.00 2.30 2.08 0.00 3.28 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.00 62 K 7.51 4.04 0.00 1.72 1.76 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 63 I 7.76 3.55 1.56 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 1.27 0.76 0.76 0.00 0.00 64 S 7.54 3.80 0.00 4.02 3.87 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 65 N 7.64 4.55 0.00 2.80 2.65 0.00 0.00 7.23 7.98 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 66 G 8.96 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 3.56 0.00 1.92 2.05 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 2.30 2.43 0.00 68 G 8.65 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 69 V 8.28 3.85 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 0.83 0.00 0.00 0.94 0.00 0.00 70 E 7.50 4.79 0.00 1.92 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 2.08 2.09 0.00 71 R 8.91 4.23 0.00 1.53 1.74 0.00 2.92 0.00 0.00 3.19 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.53 0.00 72 V 8.89 3.30 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 0.81 0.00 0.00 0.89 0.00 0.00 73 F 8.73 3.59 0.00 3.31 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 74 Q 8.01 4.88 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 75 T 7.83 4.43 4.14 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 1.03 0.00 0.00 76 H 8.43 4.66 0.00 3.21 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.59 4.87 0.00 4.17 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 78 P 0.00 4.72 0.00 2.23 2.57 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.28 0.00 79 V 8.01 4.51 2.38 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 0.82 0.00 0.00 0.95 0.00 0.00 80 V 8.54 3.69 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 0.76 0.00 0.00 0.95 0.00 0.00 81 D 7.83 4.93 0.00 2.82 2.98 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 82 S 7.54 5.38 0.00 4.15 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 83 I 5.42 4.15 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.70 0.00 0.00 84 S 7.94 3.89 0.00 3.73 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 85 V 7.55 4.88 2.70 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 0.78 0.00 0.00 1.27 0.00 0.00 86 K 8.27 4.42 0.00 1.72 1.78 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.54 7.81 87 R 8.07 4.91 0.00 2.02 2.05 0.00 3.38 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 88 R 7.70 4.47 0.00 1.91 1.70 0.00 3.32 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 89 G 8.90 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 90 A 8.51 4.12 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 91 V 8.04 3.84 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 1.05 0.00 0.00 0.95 0.00 0.00 92 R 7.70 4.40 0.00 1.87 1.81 0.00 3.46 0.00 0.00 3.28 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 93 K 7.48 4.27 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.38 7.81 94 A 7.54 5.03 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 95 K 6.57 4.64 0.00 1.90 1.75 0.00 1.78 0.00 0.00 2.08 0.00 0.00 3.39 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.84 7.81 96 L 8.23 4.38 0.00 1.88 1.74 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.96 4.26 0.00 3.28 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 98 Y 6.02 4.25 0.00 1.84 1.43 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 99 L 7.25 4.28 0.00 1.57 1.43 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 R 6.92 4.03 0.00 1.55 1.62 0.00 3.65 0.00 0.00 3.20 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.59 0.00 101 E 9.23 3.48 0.00 2.08 1.89 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 2.25 2.18 0.00 102 R 8.73 3.41 0.00 1.85 1.96 0.00 3.28 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 103 T 8.50 4.43 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 1.21 0.00 0.00 104 G 9.96 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 0.00 105 K 6.92 4.28 0.00 1.45 1.64 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.32 7.81 106 A 8.10 4.47 1.19 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 0.00 107 A 7.79 4.75 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 0.00 108 R 7.99 4.10 0.00 1.89 1.75 0.00 3.24 0.00 0.00 3.38 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 109 I 7.77 3.86 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.91 0.00 0.00 110 K 7.63 4.04 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 111 E 8.09 4.25 0.00 2.12 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 0.00 2.65 2.26 0.00 112 R 8.58 3.90 0.00 1.95 2.02 0.00 3.18 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 113 L 7.33 4.63 0.00 1.58 1.77 0.93 0.92 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 0.00 114 N 8.69 4.46 0.00 2.69 2.67 0.00 0.00 6.89 7.56 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