NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6797 8.4293 120.3961 55.2672 30.5064 174.9447 6 E 4.5882 8.8539 109.2573 52.7000 32.0979 174.9309 7 T 4.2495 8.8700 111.3486 61.4353 72.0392 176.4149 8 D 4.4341 8.5803 121.4189 57.5674 40.7533 179.0110 9 E 4.0698 8.1529 118.7839 59.4480 29.6423 178.9971 10 E 4.0027 8.1180 118.5915 59.1834 29.3467 179.2665 11 F 4.1570 8.3756 120.7663 61.4277 39.5448 176.7614 12 D 4.4737 8.5384 118.3796 57.4461 40.6848 178.7852 13 A 3.9610 8.2368 121.0102 55.3713 18.4705 179.5621 14 R 3.7250 7.7363 116.3619 59.5880 30.1399 179.3722 15 W 3.7738 7.6862 118.2091 59.1892 28.9457 178.9249 16 V 3.7421 7.8479 118.4133 66.4142 30.9484 177.8643 17 T 3.8700 8.3394 115.8508 66.9881 68.1146 175.5499 18 Y 3.8622 7.5727 119.4695 60.9073 38.8961 178.1667 19 F 4.7069 8.0580 116.1433 59.7506 39.1653 176.8183 20 N 4.7387 8.0331 115.3690 53.4374 38.6917 175.1456 21 K 3.6936 7.3336 122.3040 56.3182 32.4548 174.6072 22 P 4.3169 0.0000 0.0000 66.1309 31.3081 177.5235 23 D 4.7208 7.8426 114.6397 53.3541 39.4970 176.0601 24 I 3.7881 7.2348 120.5645 62.0024 38.5613 175.8860 25 D 4.8369 8.6072 127.2355 51.9116 42.4527 177.4186 26 A 4.0580 8.5159 120.9656 55.0898 18.2102 179.5193 27 W 4.0166 8.3634 126.1434 60.9366 30.9700 177.7962 28 E 4.3325 9.7110 118.7694 59.3942 28.8442 179.3778 29 L 4.2563 7.9628 120.2463 58.3286 42.3157 179.0674 30 R 3.8839 7.9380 117.9331 59.0899 30.0351 178.6684 31 K 3.5481 7.9893 119.8157 59.5020 31.9474 178.6886 32 G 3.9556 8.3056 105.5274 48.2884 0.0000 175.4426 33 M 4.1282 8.3631 121.4411 58.2608 31.8568 178.6127 34 N 4.3120 8.3906 115.4231 56.7300 39.0627 177.3644 35 T 4.0361 8.4483 117.5551 66.3928 68.5781 176.7301 36 L 3.9269 8.1556 123.1400 58.1406 42.1866 178.5655 37 V 4.0858 7.7500 109.1493 61.8240 31.0280 176.8993 38 G 3.6840 7.6906 108.8340 46.0480 0.0000 174.1502 39 Y 4.4367 7.3243 117.1752 56.8855 39.5719 175.8294 40 D 4.6365 8.3228 122.4517 50.9907 39.6752 175.1071 41 L 4.3617 6.9663 119.9273 55.1989 42.6381 174.3399 42 V 4.2175 8.1950 119.8653 60.5744 32.7467 174.1541 43 P 4.4660 0.0000 0.0000 62.0929 32.1429 176.1453 44 E 4.1811 8.7341 120.8612 56.1728 30.2380 176.6334 45 P 4.3125 0.0000 0.0000 65.4942 31.4112 179.1188 46 K 4.1142 8.1200 117.3545 59.9328 32.3437 179.2058 47 I 3.9391 7.8169 120.8964 64.2259 37.1992 178.0948 48 I 3.5836 7.7935 120.1756 64.7551 36.8887 177.0945 49 D 4.2489 8.7550 118.4634 57.4679 40.9533 177.9921 50 A 4.0350 8.1655 119.8950 55.5522 18.4759 179.5764 51 A 3.4441 7.9323 118.7724 55.1044 18.4274 179.8638 52 L 3.8813 8.1952 117.9392 57.9817 41.5725 180.0109 53 R 3.9565 8.2094 117.8807 59.0748 29.9577 178.9023 54 A 4.0258 7.9113 120.6126 55.4489 18.3928 179.4426 55 C 4.1168 8.0094 115.2385 62.7564 28.0466 176.4502 56 R 3.8650 7.8000 119.8206 59.6953 29.5971 178.8077 57 R 3.9790 8.0454 116.4421 58.6299 30.0087 178.0091 58 L 4.5064 7.5936 116.4445 53.0933 42.6102 176.2576 59 N 4.1852 7.9611 115.4520 54.9826 36.6567 175.5308 60 D 4.8701 8.3291 116.9357 51.7627 41.8237 175.2368 61 F 4.3077 8.5978 125.4268 60.8099 39.8770 175.8130 62 A 3.8203 8.1966 119.8986 55.4860 18.1070 179.6609 63 S 4.0474 8.4357 113.2176 61.2617 62.2828 176.7879 64 A 3.8146 7.5527 123.4018 55.1542 18.2059 179.8192 65 V 3.3599 7.1024 116.2053 66.0696 31.5620 177.9804 66 R 4.0148 7.8728 118.4268 59.5036 29.8218 178.5915 67 I 3.6795 7.7374 119.6534 64.0298 36.9983 178.4768 68 L 4.0759 7.4872 119.3592 57.7273 41.5089 179.0604 69 E 3.8150 8.0360 118.7181 59.4798 29.4337 179.9542 70 V 3.5887 7.9159 119.1176 64.6369 31.2456 178.5161 71 V 3.5656 7.3621 117.7118 65.6389 31.7900 177.5168 72 K 3.9113 7.7915 119.2248 59.3611 31.8785 178.1103 73 D 4.2251 7.8689 118.1484 57.4304 41.0528 178.3204 74 K 4.0120 8.2663 117.0890 58.8266 32.3971 178.1772 75 A 4.3077 8.1483 120.5578 50.7983 18.9522 178.9107 76 G 3.7411 8.9134 105.5371 46.3188 0.0000 175.4898 77 P 4.3562 0.0000 0.0000 64.7607 31.6920 176.7083 78 H 4.5737 7.9163 118.4297 54.3676 26.7608 175.9209 79 K 4.1887 8.1841 119.9317 57.7640 32.1891 177.4503 80 E 4.5126 7.9715 116.5083 56.7498 30.9915 178.1943 81 I 3.7812 8.0408 121.8860 64.6158 37.2670 177.2823 82 Y 4.2628 8.0725 119.8280 60.5238 38.7267 176.1700 83 P 4.2149 0.0000 0.0000 65.6674 31.2779 178.0019 84 Y 4.0534 7.6418 118.3260 60.4992 38.5225 177.8012 85 V 3.2452 7.6984 118.0365 65.9376 32.0956 177.4924 86 I 3.5457 7.6373 119.9294 64.3867 36.8944 177.8598 87 Q 3.8191 7.6941 119.9319 59.4408 28.7178 178.3892 88 E 3.8594 7.8403 118.1373 58.3187 29.6947 178.2532 89 L 4.5012 7.3062 116.9822 54.0479 42.7456 177.8982 90 R 3.7920 7.7408 120.1049 59.2178 29.8916 176.1836 91 P 4.1734 0.0000 0.0000 66.0888 31.4849 178.7807 92 T 4.0566 7.8361 113.8683 66.5372 68.3473 176.6633 93 L 4.0289 8.1375 121.2293 57.6522 41.3383 179.2743 94 N 4.2987 8.1125 116.3992 56.2351 38.3273 176.7376 95 E 3.9589 8.3267 120.0209 59.4016 29.6194 178.1191 96 L 4.1885 7.8334 115.7595 55.0788 42.0482 177.6169 97 G 3.7758 7.6665 106.2727 46.2895 0.0000 173.7678 98 I 4.3923 7.7497 121.4372 60.3622 36.8184 176.4658 99 S 4.6302 8.9159 122.2537 58.2530 63.9770 175.0477 100 T 4.3842 8.9695 114.4834 60.4984 71.0681 174.0527 101 P 4.2601 0.0000 0.0000 66.0942 31.3343 178.6944 102 E 4.2353 8.1074 117.7665 59.1765 29.3320 179.1355 103 E 4.0489 7.7272 116.3472 59.0306 29.5813 178.6671 104 L 4.4635 7.7307 116.4356 54.2787 42.1083 177.3585 105 G 3.8690 7.8545 106.8329 46.4451 0.0000 174.1277 106 L 4.4454 8.2732 117.8838 54.4615 41.7285 177.1200 107 D 4.6872 7.8474 119.1712 53.2907 40.7399 176.2940 108 K 4.3906 7.7661 119.1343 55.9073 33.9442 177.0414 109 V 3.8320 8.2351 113.7979 61.7758 31.5987 176.0608 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 5 H 8.43 4.68 0.00 3.14 2.91 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.85 4.59 0.00 2.35 1.88 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 2.24 2.51 0.00 7 T 8.87 4.25 4.46 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 0.00 0.00 0.00 1.23 0.00 0.00 8 D 8.58 4.43 0.00 2.73 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 9 E 8.15 4.07 0.00 2.10 2.03 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 2.43 2.50 0.00 10 E 8.12 4.00 0.00 2.18 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 0.00 2.35 2.35 0.00 11 F 8.38 4.16 0.00 3.26 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 12 D 8.54 4.47 0.00 3.04 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 13 A 8.24 3.96 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 14 R 7.74 3.73 0.00 1.73 1.57 0.00 2.95 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 15 W 7.69 3.77 0.00 3.05 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 16 V 7.85 3.74 2.31 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 1.10 0.00 0.00 1.15 0.00 0.00 17 T 8.34 3.87 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 1.17 0.00 0.00 18 Y 7.57 3.86 0.00 2.59 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 19 F 8.06 4.71 0.00 3.27 3.24 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 20 N 8.03 4.74 0.00 3.00 2.90 0.00 0.00 6.87 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 21 K 7.33 3.69 0.00 1.55 1.59 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.49 7.81 22 P 0.00 4.32 0.00 2.07 2.12 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 23 D 7.84 4.72 0.00 2.76 2.74 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 24 I 7.23 3.79 2.00 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 1.37 0.76 0.97 0.00 0.00 25 D 8.61 4.84 0.00 3.05 2.84 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 26 A 8.52 4.06 1.42 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 27 W 8.36 4.02 0.00 3.45 3.46 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 0.00 0.00 0.00 0.00 28 E 9.71 4.33 0.00 2.31 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 2.68 2.88 0.00 29 L 7.96 4.26 0.00 1.91 1.98 0.97 0.96 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 30 R 7.94 3.88 0.00 1.84 1.86 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 31 K 7.99 3.55 0.00 0.79 1.69 0.00 1.20 0.00 0.00 1.18 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.42 7.81 32 G 8.31 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 33 M 8.36 4.13 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 34 N 8.39 4.31 0.00 2.65 2.84 0.00 0.00 7.18 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 35 T 8.45 4.04 4.49 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 0.00 0.00 0.00 1.44 0.00 0.00 36 L 8.16 3.93 0.00 1.27 1.60 -0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.75 4.09 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 0.67 0.00 0.00 0.99 0.00 0.00 38 G 7.69 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 0.00 0.00 0.00 39 Y 7.32 4.44 0.00 2.90 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 40 D 8.32 4.64 0.00 2.63 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 41 L 6.97 4.36 0.00 1.67 1.50 0.89 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.20 4.22 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 0.89 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.47 0.00 2.08 1.95 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 44 E 8.73 4.18 0.00 2.08 1.95 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 2.48 2.75 0.00 45 P 0.00 4.31 0.00 2.10 2.00 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 46 K 8.12 4.11 0.00 2.02 2.11 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.61 7.81 47 I 7.82 3.94 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.83 1.23 0.00 0.00 48 I 7.79 3.58 1.99 0.00 0.00 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 1.76 0.87 0.86 0.00 0.00 49 D 8.75 4.25 0.00 2.73 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 50 A 8.17 4.03 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.93 3.44 0.54 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 52 L 8.20 3.88 0.00 1.80 1.69 0.88 0.77 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 53 R 8.21 3.96 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 54 A 7.91 4.03 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.01 4.12 0.00 3.17 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 56 R 7.80 3.86 0.00 1.98 2.21 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 57 R 8.05 3.98 0.00 1.99 2.01 0.00 3.29 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 58 L 7.59 4.51 0.00 1.72 1.71 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.96 4.19 0.00 2.81 2.85 0.00 0.00 6.58 8.01 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 60 D 8.33 4.87 0.00 2.72 2.56 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 61 F 8.60 4.31 0.00 3.16 3.06 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 62 A 8.20 3.82 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 63 S 8.44 4.05 0.00 3.96 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 A 7.55 3.81 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 0.00 0.00 65 V 7.10 3.36 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 0.95 0.00 0.00 0.31 0.00 0.00 66 R 7.87 4.01 0.00 2.00 1.99 0.00 3.28 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 67 I 7.74 3.68 1.95 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 1.42 1.12 0.81 0.00 0.00 68 L 7.49 4.08 0.00 1.93 1.90 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.04 3.82 0.00 2.19 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 2.24 2.40 0.00 70 V 7.92 3.59 2.03 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 0.86 0.00 0.00 0.89 0.00 0.00 71 V 7.36 3.57 2.31 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 0.93 0.00 0.00 1.02 0.00 0.00 72 K 7.79 3.91 0.00 0.79 1.51 0.00 0.76 0.00 0.00 1.19 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.14 7.81 73 D 7.87 4.23 0.00 2.77 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 74 K 8.27 4.01 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.61 7.81 75 A 8.15 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.91 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 77 P 0.00 4.36 0.00 2.08 2.13 0.00 4.01 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 78 H 7.92 4.57 0.00 3.32 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.18 4.19 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.39 7.81 80 E 7.97 4.51 0.00 2.12 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 0.00 2.31 2.25 0.00 81 I 8.04 3.78 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 1.00 0.00 0.00 82 Y 8.07 4.26 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.24 2.12 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 84 Y 7.64 4.05 0.00 2.92 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 85 V 7.70 3.25 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 0.86 0.00 0.00 1.20 0.00 0.00 86 I 7.64 3.55 1.66 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 -0.14 0.30 0.72 0.00 0.00 87 Q 7.69 3.82 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 88 E 7.84 3.86 0.00 1.77 1.75 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 1.47 1.51 0.00 89 L 7.31 4.50 0.00 1.59 1.59 0.85 0.48 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 90 R 7.74 3.79 0.00 2.08 1.92 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 91 P 0.00 4.17 0.00 2.17 2.06 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 92 T 7.84 4.06 4.30 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 0.00 0.00 0.00 1.23 0.00 0.00 93 L 8.14 4.03 0.00 1.79 1.88 0.87 0.53 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 94 N 8.11 4.30 0.00 2.97 2.85 0.00 0.00 6.63 7.67 0.00 0.00 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 E 8.33 3.96 0.00 1.94 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 2.34 2.31 0.00 96 L 7.83 4.19 0.00 1.74 1.74 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.67 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 0.00 0.00 0.00 98 I 7.75 4.39 1.92 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 1.40 0.68 0.91 0.00 0.00 99 S 8.92 4.63 0.00 4.10 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 0.00 100 T 8.97 4.38 4.49 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 0.00 0.00 0.00 1.26 0.00 0.00 101 P 0.00 4.26 0.00 2.19 2.15 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 102 E 8.11 4.24 0.00 2.11 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 0.00 2.50 2.58 0.00 103 E 7.73 4.05 0.00 2.15 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 2.37 2.39 0.00 104 L 7.73 4.46 0.00 1.82 1.78 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.85 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 0.00 0.00 0.00 106 L 8.27 4.45 0.00 1.72 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.85 4.69 0.00 2.82 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 K 7.77 4.39 0.00 1.88 1.84 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 109 V 8.24 3.83 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 0.67 0.00 0.00 0.92 0.00 0.00