NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7316 8.1933 115.3748 57.7557 64.4850 174.5524 2 L 4.0550 8.6540 121.7816 57.0017 41.1928 178.5216 3 W 4.2432 8.6895 120.2606 60.0107 29.5272 178.0018 4 Q 4.1871 8.1635 117.6266 58.6660 28.0519 178.3178 5 F 4.7033 8.6710 122.2637 61.3680 39.3440 177.3864 6 G 3.5828 8.5085 105.4860 47.8944 0.0000 175.8521 7 K 4.1410 8.2302 121.2861 59.1903 32.0342 179.2402 8 M 4.2430 8.6775 118.9538 58.7747 32.2620 178.1940 9 I 3.7327 8.3822 120.2691 64.7619 37.3039 178.2670 10 N 4.8411 8.5791 117.3290 56.2680 38.0786 176.9783 11 Y 4.0863 8.3152 120.8748 60.6431 39.0248 177.7598 12 V 3.7142 7.9427 117.7570 65.2553 31.9724 177.0124 13 M 4.3916 8.6254 115.8817 54.0840 32.9577 177.0392 14 G 4.0474 7.5469 105.2841 44.9544 0.0000 174.5859 15 E 4.0521 8.4372 118.4619 58.9050 29.7853 178.6158 16 S 4.4061 8.1146 112.1256 59.1857 63.9061 176.2368 17 G 3.7069 8.5872 110.0412 48.0261 0.0000 175.9802 18 V 3.6190 8.3734 121.1458 65.8045 31.4003 177.9979 19 L 4.2209 7.9722 118.0714 58.1937 42.1012 178.3903 20 Q 4.2133 8.1631 117.6525 58.3716 28.6079 177.1673 21 Y 4.2076 7.7617 115.8712 58.6705 39.6094 177.1133 22 L 4.4679 8.0882 118.2352 54.3910 42.3243 176.5665 23 S 4.7789 7.3174 112.2420 56.1932 62.6385 172.3497 24 Y 4.7439 7.6807 121.9977 56.7421 41.4847 175.8197 25 G 3.5171 8.0139 114.9804 46.7019 0.0000 173.1161 26 C 4.5830 9.6173 115.7531 57.6626 36.6720 174.6179 27 Y 4.2766 8.6854 116.1468 57.8138 39.9563 175.0896 28 C 4.8528 8.3673 117.9595 57.5976 41.1167 173.9151 29 G 4.5435 9.5181 111.6165 44.9358 0.0000 172.2664 30 L 4.1657 7.9475 122.4942 55.9889 43.6264 174.1912 31 G 3.8575 9.0304 112.0686 46.7160 0.0000 173.8277 32 G 3.7543 8.4384 108.2777 44.1437 0.0000 172.5741 33 Q 4.4891 7.1821 115.7641 55.6720 32.3019 175.7520 34 G 4.1227 9.0822 105.5335 45.4590 0.0000 171.9967 35 Q 4.9054 9.1294 120.3748 53.1724 30.5565 173.9361 36 P 4.6584 0.0000 0.0000 63.2859 31.8526 176.7280 37 T 3.7835 8.7222 113.3747 64.3497 69.1697 173.4899 38 D 4.4191 7.2229 118.7321 51.3270 41.9888 175.3181 39 A 4.0124 8.6760 119.8165 55.9409 17.6768 179.9022 40 T 3.9643 7.9951 113.6589 66.9476 68.5339 176.1865 41 D 4.6127 8.9539 120.2891 57.5019 41.2332 178.2733 42 R 3.9239 8.4584 119.6062 59.4765 29.9670 177.6750 43 C 4.3023 8.4080 116.5488 60.4773 38.9313 175.5336 44 C 4.3872 8.1711 116.8430 59.6366 41.0161 175.9248 45 F 3.7138 8.5567 122.7740 61.1714 38.9802 177.3032 46 V 3.4305 8.4015 118.2648 66.2372 31.1895 177.4394 47 H 3.9608 8.2660 117.9982 59.1559 29.6141 176.9115 48 D 4.1473 8.2513 121.0630 57.6309 40.4396 178.2454 49 C 4.0989 7.5856 115.6323 59.8480 37.5213 175.0038 50 C 4.3009 8.4721 120.4569 60.0208 38.3389 175.2260 51 Y 4.1391 8.2311 118.6069 61.1471 37.1926 179.0156 52 G 3.6862 8.0753 105.6424 47.2684 0.0000 175.0729 53 K 4.3464 7.6509 118.4457 56.0727 32.4336 177.0723 54 V 3.9778 6.9746 119.7672 62.0363 31.6420 175.1673 55 T 4.5310 8.4823 123.7735 62.9440 71.1015 174.1614 56 G 4.0681 9.8588 113.6635 45.6376 0.0000 171.6156 57 C 4.7110 7.5331 111.7721 54.3011 42.0475 172.4369 58 N 4.7789 9.4364 118.7994 50.9682 38.8538 173.3006 59 P 4.1927 0.0000 0.0000 65.1057 31.8528 178.1234 60 K 4.2195 8.2833 119.2949 58.7783 32.2407 178.6714 61 I 4.1762 7.7319 117.2246 62.6341 38.6625 176.2586 62 D 4.5049 8.3097 119.8943 54.2090 41.1771 175.8430 63 S 4.5842 8.5252 119.7475 57.5079 64.0257 173.3952 64 Y 4.9440 8.0304 124.3982 55.4679 40.5816 174.1411 65 T 5.0341 8.5956 115.3894 62.3275 71.3442 173.1404 66 Y 5.4285 8.7187 123.1094 55.8713 41.4116 173.9140 67 S 4.6953 8.8448 114.9986 56.1885 66.0773 172.8803 68 K 4.7725 8.2609 121.9630 54.8967 34.1033 175.4898 69 K 4.4245 8.4981 125.8971 55.7442 35.2933 175.7026 70 N 4.0784 10.1741 124.9093 54.5722 35.9012 175.3165 71 G 3.7497 9.7536 105.4999 45.4938 0.0000 173.1080 72 D 5.1506 7.8845 119.2859 52.4884 43.3928 175.2597 73 V 4.9026 8.3076 114.9567 59.6840 34.6053 175.3131 74 V 4.4307 8.5175 123.8646 61.2957 34.2808 173.7540 75 C 4.8659 8.9793 125.7341 56.0689 40.8601 172.9002 76 G 3.7041 8.6668 113.5642 47.5893 0.0000 173.9106 77 G 4.1761 9.2368 111.7314 45.7583 0.0000 172.2441 78 D 4.5472 8.3716 116.5260 54.2736 41.7529 176.8568 79 N 4.7601 7.7489 118.4520 51.3115 40.0669 172.6710 80 P 4.3360 0.0000 0.0000 65.7670 31.4405 179.1917 81 C 4.2169 8.0582 116.7430 59.6713 44.1268 175.6076 82 K 3.9478 7.9981 119.6404 59.3273 31.6758 179.0187 83 K 3.8032 8.5667 120.3914 59.4382 31.5379 178.5961 84 Q 3.8938 8.1684 120.0164 59.0676 28.9745 178.3216 85 I 3.5353 7.6452 120.7508 64.5172 37.1797 177.3828 86 C 2.6820 7.8228 119.3242 59.3970 42.1407 175.5406 87 E 3.7514 8.3314 120.3155 59.4134 28.9978 178.5730 88 C 4.1488 8.0484 116.5666 60.1939 40.7479 176.0668 89 D 3.6872 7.8404 120.2007 57.0131 40.3129 178.7349 90 R 3.7965 8.3248 119.4826 59.3934 30.0388 178.4676 91 V 3.4563 7.9325 118.0920 66.1203 31.3762 177.8075 92 A 3.6445 7.8221 120.1707 55.2619 18.1452 179.7238 93 T 3.4212 7.9395 114.6309 66.8797 68.4718 177.0464 94 T 3.8658 8.0420 111.9160 64.7637 68.8245 175.7913 95 C 4.2159 8.2726 121.7860 59.3457 43.4092 175.4397 96 F 4.3661 7.6693 118.6585 60.6641 38.6901 177.0473 97 R 4.0508 8.0000 118.1568 59.8290 29.6347 178.0509 98 D 4.4629 8.3723 116.2388 56.3590 41.3543 176.3463 99 N 5.0865 7.7335 114.8051 52.6795 39.2926 176.2253 100 K 4.0318 8.0000 122.9265 59.4383 32.2653 178.3449 101 D 4.6038 8.2040 116.8402 55.1833 39.4528 176.5760 102 T 4.5855 7.9806 108.4047 60.9527 69.5119 173.4119 103 Y 3.9785 7.7483 123.4350 58.4334 39.2097 174.9598 104 D 4.8906 9.2466 126.3137 52.0783 43.4470 176.1288 105 I 3.8050 8.6032 127.2654 63.7888 38.2533 177.2838 106 K 3.6755 8.0281 120.9063 59.2755 31.9953 176.6429 107 Y 4.0424 7.3276 114.1620 57.1379 38.1420 174.9012 108 W 4.5358 8.0166 131.7846 58.3582 31.4724 176.0333 109 F 3.5765 8.0912 125.8649 57.3942 36.5311 175.6614 110 Y 4.3096 7.8970 122.1529 60.0961 39.5469 176.8346 111 G 3.8238 8.3901 106.9672 45.5271 0.0000 174.0086 112 A 3.9412 8.7266 125.6728 54.9906 18.1212 179.7423 113 K 3.9092 7.8661 115.6171 59.2660 32.7227 177.8682 114 N 4.6281 7.5175 116.0240 53.1249 38.6470 174.3322 115 C 5.3662 7.9376 118.2276 56.0591 41.2493 174.7334 116 Q 4.3625 8.2224 116.5905 56.0282 27.9876 175.9363 117 E 4.3823 7.6535 117.8782 54.4025 31.0921 175.4857 118 K 3.9405 8.4402 119.9102 57.2239 32.4955 176.0097 119 S 4.7930 8.4774 121.5030 57.9642 63.8187 173.6650 120 E 4.2011 8.8389 126.2721 55.7512 29.8099 174.7233 121 P 4.7472 0.0000 0.0000 62.1809 32.9662 176.9025 122 C 4.5111 8.7044 117.6220 57.5328 41.1348 173.7285 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 8.19 4.73 0.00 4.29 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 0.00 2 L 8.65 4.05 0.00 1.49 1.73 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.69 4.24 0.00 3.47 3.33 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 4 Q 8.16 4.19 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 5 F 8.67 4.70 0.00 3.33 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 6 G 8.51 3.58 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 0.00 0.00 0.00 7 K 8.23 4.14 0.00 2.17 2.10 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.74 1.76 7.81 8 M 8.68 4.24 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 9 I 8.38 3.73 1.99 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.24 0.95 0.00 0.00 10 N 8.58 4.84 0.00 2.84 3.18 0.00 0.00 6.71 8.31 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 11 Y 8.32 4.09 0.00 3.13 3.32 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 12 V 7.94 3.71 2.21 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 0.90 0.00 0.00 1.19 0.00 0.00 13 M 8.63 4.39 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 14 G 7.55 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 15 E 8.44 4.05 0.00 1.99 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 2.35 2.28 0.00 16 S 8.11 4.41 0.00 3.95 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 17 G 8.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.37 3.62 2.15 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 1.13 0.00 0.00 1.02 0.00 0.00 19 L 7.97 4.22 0.00 1.85 1.96 1.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.16 4.21 0.00 2.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 1.94 2.34 0.00 21 Y 7.76 4.21 0.00 2.84 2.27 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 22 L 8.09 4.47 0.00 1.72 1.65 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.32 4.78 0.00 3.00 2.63 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 24 Y 7.68 4.74 0.00 3.08 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 25 G 8.01 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 9.62 4.58 0.00 3.13 3.16 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 27 Y 8.69 4.28 0.00 3.52 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 28 C 8.37 4.85 0.00 3.32 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.52 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 0.00 0.00 0.00 0.00 30 L 7.95 4.17 0.00 1.90 1.82 0.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.03 3.86 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 0.00 0.00 0.00 32 G 8.44 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 33 Q 7.18 4.49 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.07 2.44 0.00 34 G 9.08 4.12 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 0.00 0.00 0.00 35 Q 9.13 4.91 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 36 P 0.00 4.66 0.00 1.85 1.93 0.00 3.47 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.49 0.00 37 T 8.72 3.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 38 D 7.22 4.42 0.00 2.84 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 39 A 8.68 4.01 1.44 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 0.00 0.00 0.00 40 T 8.00 3.96 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 0.82 0.00 0.00 41 D 8.95 4.61 0.00 2.96 2.83 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 42 R 8.46 3.92 0.00 1.86 2.11 0.00 3.09 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 43 C 8.41 4.30 0.00 3.49 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 44 C 8.17 4.39 0.00 3.46 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 45 F 8.56 3.71 0.00 2.55 3.05 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 46 V 8.40 3.43 2.28 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 0.81 0.00 0.00 1.09 0.00 0.00 47 H 8.27 3.96 0.00 3.16 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.25 4.15 0.00 2.72 2.54 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 49 C 7.59 4.10 0.00 2.82 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 50 C 8.47 4.30 0.00 2.97 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 51 Y 8.23 4.14 0.00 3.10 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 52 G 8.08 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.65 4.35 0.00 1.86 1.83 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 V 6.97 3.98 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 0.86 0.00 0.00 0.85 0.00 0.00 55 T 8.48 4.53 4.22 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 1.19 0.00 0.00 56 G 9.86 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 57 C 7.53 4.71 0.00 3.28 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 58 N 9.44 4.78 0.00 2.63 2.70 0.00 0.00 7.41 7.64 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 59 P 0.00 4.19 0.00 0.49 1.40 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 60 K 8.28 4.22 0.00 2.03 1.93 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.48 7.81 61 I 7.73 4.18 1.89 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 1.44 0.87 0.96 0.00 0.00 62 D 8.31 4.50 0.00 2.73 2.61 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 63 S 8.53 4.58 0.00 3.84 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 64 Y 8.03 4.94 0.00 2.98 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 65 T 8.60 5.03 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 1.27 0.00 0.00 66 Y 8.72 5.43 0.00 3.12 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 67 S 8.84 4.70 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 68 K 8.26 4.77 0.00 0.79 1.14 0.00 1.00 0.00 0.00 1.47 0.00 0.00 2.32 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.84 0.94 7.81 69 K 8.50 4.42 0.00 1.73 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.49 7.81 70 N 10.17 4.08 0.00 2.94 2.88 0.00 0.00 7.20 7.65 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 71 G 9.75 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 72 D 7.88 5.15 0.00 2.85 2.63 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 73 V 8.31 4.90 2.29 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 0.96 0.00 0.00 1.01 0.00 0.00 74 V 8.52 4.43 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 1.00 0.00 0.00 0.96 0.00 0.00 75 C 8.98 4.87 0.00 3.04 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 76 G 8.67 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 0.00 0.00 0.00 77 G 9.24 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 0.00 0.00 0.00 78 D 8.37 4.55 0.00 2.68 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 79 N 7.75 4.76 0.00 2.78 2.72 0.00 0.00 7.18 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.34 0.00 2.18 2.08 0.00 3.65 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 2.11 2.14 0.00 81 C 8.06 4.22 0.00 2.97 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 82 K 8.00 3.95 0.00 2.02 1.97 0.00 1.88 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.61 7.81 83 K 8.57 3.80 0.00 1.83 1.89 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.52 7.81 84 Q 8.17 3.89 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 85 I 7.65 3.54 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.95 0.00 0.00 86 C 7.82 2.68 0.00 1.71 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 87 E 8.33 3.75 0.00 2.03 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 2.39 2.42 0.00 88 C 8.05 4.15 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 89 D 7.84 3.69 0.00 2.68 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 90 R 8.32 3.80 0.00 1.79 1.95 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 91 V 7.93 3.46 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 0.95 0.00 0.00 0.88 0.00 0.00 92 A 7.82 3.64 1.03 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 93 T 7.94 3.42 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 1.29 0.00 0.00 94 T 8.04 3.87 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 1.23 0.00 0.00 95 C 8.27 4.22 0.00 2.96 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 96 F 7.67 4.37 0.00 2.81 2.23 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 97 R 8.00 4.05 0.00 1.87 2.12 0.00 3.08 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 1.63 1.65 0.00 98 D 8.37 4.46 0.00 2.86 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 99 N 7.73 5.09 0.00 3.01 2.86 0.00 0.00 6.49 7.16 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 0.00 100 K 8.00 4.03 0.00 1.97 1.86 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.44 7.81 101 D 8.20 4.60 0.00 2.86 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 0.00 102 T 7.98 4.59 4.32 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 1.26 0.00 0.00 103 Y 7.75 3.98 0.00 2.97 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 0.00 104 D 9.25 4.89 0.00 2.82 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.60 3.81 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 0.92 0.00 0.00 106 K 8.03 3.68 0.00 1.46 1.31 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.44 1.18 7.81 107 Y 7.33 4.04 0.00 1.61 1.67 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 0.00 0.00 0.00 0.00 108 W 8.02 4.54 0.00 3.38 3.49 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 0.00 109 F 8.09 3.58 0.00 2.58 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 0.00 110 Y 7.90 4.31 0.00 2.87 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 0.00 111 G 8.39 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 0.00 0.00 0.00 112 A 8.73 3.94 1.30 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 0.00 0.00 0.00 113 K 7.87 3.91 0.00 1.84 1.89 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.38 7.81 114 N 7.52 4.63 0.00 1.72 2.15 0.00 0.00 6.76 7.37 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 0.00 115 C 7.94 5.37 0.00 2.97 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 0.00 116 Q 8.22 4.36 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 117 E 7.65 4.38 0.00 2.11 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 2.29 2.40 0.00 118 K 8.44 3.94 0.00 1.75 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 119 S 8.48 4.79 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.84 4.20 0.00 1.95 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 2.18 2.13 0.00 121 P 0.00 4.75 0.00 2.17 2.09 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 122 C 8.70 4.51 0.00 2.94 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