NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6532 8.0027 118.9430 56.2064 39.9507 174.5686 3 V 2.5542 7.0584 120.1656 62.4913 31.8942 174.0857 4 R 4.5112 6.5114 122.1182 54.8632 31.6480 175.7720 5 F 4.7010 6.5801 112.0673 56.2188 39.3426 173.4499 6 E 4.0707 8.9019 124.7106 56.0307 30.1981 176.0378 7 V 4.4314 7.9922 121.9501 59.7013 33.8757 174.0856 8 P 4.2880 0.0000 0.0000 62.9668 32.9407 176.0317 9 E 3.8558 8.9472 122.5121 60.1247 29.4619 178.8756 10 D 4.4203 8.2346 117.8173 57.8580 40.8356 178.9407 11 M 4.0007 7.9523 118.0429 58.7218 32.4388 178.2041 12 Q 4.1669 8.1023 117.6980 59.1631 28.6578 178.3443 13 N 4.3462 8.2296 118.7687 56.1433 38.5518 176.8226 14 E 3.9360 8.1275 120.5023 59.1873 29.6788 178.5906 15 A 4.0799 8.4237 121.1398 55.4901 18.6224 179.7271 16 L 4.0685 8.2938 117.4316 58.0051 41.5322 179.9195 17 S 4.2407 8.3571 115.2639 61.0777 62.7802 176.4686 18 L 3.9744 8.2315 123.4935 57.9173 41.9897 178.5620 19 L 3.8997 8.1836 120.7037 58.2252 41.7684 178.7810 20 E 4.2869 7.8082 116.6388 58.0112 29.8751 178.5999 21 K 4.1104 7.7707 121.4052 59.2992 32.3550 179.1341 22 V 3.6239 8.3115 119.7460 64.5153 31.0189 178.0612 23 R 4.0498 7.5917 118.0727 59.0579 29.8004 176.7859 24 E 4.3305 7.9841 117.3024 58.4346 30.2722 177.8220 25 S 4.3973 8.0277 116.8520 63.1736 63.6006 174.5818 26 G 4.3861 8.6600 109.9665 44.4660 0.0000 171.5010 27 K 4.7696 8.7437 122.4380 54.7465 34.6501 176.5526 28 V 4.9520 8.2952 125.3668 61.0843 35.1800 174.3169 29 K 4.8333 9.0495 125.0149 54.3454 35.2979 175.3279 30 K 4.7222 8.9120 122.9634 56.0515 35.8175 176.4329 31 G 3.9702 9.0846 109.6723 46.1999 0.0000 174.4485 32 T 4.4214 8.8253 121.8788 66.2227 68.5874 175.9778 33 N 4.2725 8.2270 117.3473 56.7090 38.5423 177.0692 34 E 3.9855 8.0865 118.9313 59.6787 29.3077 179.1876 35 T 3.8677 8.2325 116.1151 67.2357 68.5116 176.3117 36 T 3.9112 8.4021 117.5591 66.9030 68.5160 176.6965 37 K 4.1163 8.0116 119.3385 59.4623 32.1223 179.0616 38 A 4.0243 8.2469 121.4084 55.2683 18.1150 180.0029 39 V 3.5100 7.8675 116.4717 66.1575 31.4847 178.0032 40 E 3.9453 8.1785 117.1867 59.7582 29.3345 178.6119 41 R 4.0915 8.6315 114.3661 56.1699 30.0918 176.5204 42 G 3.9922 8.0973 106.5534 47.0793 0.0000 174.5405 43 L 4.5106 8.3645 118.3052 54.0624 43.7122 177.0799 44 A 4.2011 7.9328 121.2388 51.9220 18.0926 177.5614 45 K 4.2929 9.0860 123.2699 58.3484 33.4100 177.3843 46 L 4.6822 7.6903 120.0938 53.8619 45.6602 173.9522 47 V 4.9653 8.7901 125.5111 61.4645 34.4395 173.8527 48 Y 5.0858 9.3711 124.6469 56.7290 41.1375 175.1117 49 I 4.8344 8.2434 121.6846 59.9724 41.4525 174.8721 50 A 4.6856 9.1223 129.8912 52.4012 18.8567 176.6780 51 E 4.7389 9.1120 118.0568 56.7157 32.0105 177.4638 52 D 4.9749 7.9077 119.2020 53.6428 40.1612 176.6852 53 V 4.0021 8.0337 120.3671 63.3381 31.8093 174.7406 54 D 4.5383 8.3593 126.3497 51.5197 42.3786 172.8169 55 P 4.1960 0.0000 0.0000 62.3655 32.9572 174.8248 56 P 3.6788 0.0000 0.0000 63.0477 27.8391 175.6004 57 E 3.9756 9.1950 127.3978 60.0401 30.5495 178.9259 58 I 3.8274 7.8424 118.5538 64.2793 37.3645 177.9539 59 V 4.1692 7.6833 111.2310 61.7584 31.9593 177.7049 60 A 4.1311 7.6747 120.5257 55.5073 18.4794 178.7618 61 H 4.4388 8.3569 112.7509 58.0642 28.9077 177.1987 62 L 3.6792 8.0933 122.4328 57.2967 41.2139 177.3439 63 P 3.2008 0.0000 0.0000 65.7204 31.4368 178.3265 64 L 4.1423 7.6789 115.4140 57.3495 41.9430 178.8526 65 L 4.3532 7.5346 121.5061 56.9885 42.0043 177.2169 66 C 4.6690 8.0182 115.2622 59.4981 28.7674 172.3164 67 E 3.9497 8.2860 114.4972 56.9743 28.5833 174.9585 68 E 4.7304 8.2045 117.4132 58.7183 35.7707 175.9809 69 K 4.4694 7.9030 114.4882 55.3405 32.3036 175.8234 70 N 4.1349 8.0901 115.4651 54.8590 37.3489 173.9958 71 V 4.3969 7.5993 116.0038 60.0558 33.9749 172.6154 72 P 4.8644 0.0000 0.0000 63.1374 32.7158 174.5795 73 Y 5.3660 7.8196 117.8890 55.9167 41.4950 173.7490 74 I 4.7036 8.4832 119.6962 59.7190 41.9292 173.5352 75 Y 4.9200 8.5829 125.1250 57.1824 39.5887 174.9978 76 V 4.4692 8.7814 121.8990 61.1324 34.9792 176.1183 77 K 4.0038 9.0558 126.0534 59.1547 32.7187 176.2634 78 S 5.3450 8.1403 113.4830 55.7631 63.6468 175.1167 79 K 4.2271 9.5638 128.4910 59.7677 32.2324 179.2252 80 N 4.3110 8.0918 117.8866 56.2001 38.5941 176.7898 81 D 4.3421 8.1686 120.3583 57.3763 40.9664 178.4865 82 L 4.0281 8.3966 121.3153 58.1199 41.9450 179.1273 83 G 3.7591 7.9102 106.3746 47.3524 0.0000 175.7050 84 R 3.8935 7.8762 120.0646 58.7057 29.8697 178.7467 85 A 3.9517 8.0843 120.6831 55.4827 18.1776 179.7808 86 V 3.7479 7.5850 108.1188 61.8206 31.9950 176.5888 87 G 3.7990 8.3657 107.1112 46.5192 0.0000 173.3472 88 I 4.6302 7.5107 111.4844 57.9668 40.4267 175.2741 89 E 3.9921 8.8914 120.0913 59.2088 29.2632 177.7859 90 V 4.1109 7.4118 112.2602 58.5952 33.3296 173.1613 91 P 4.5349 0.0000 0.0000 62.9060 32.1002 175.0074 92 C 4.6540 9.0229 118.6061 58.1924 33.8699 173.6565 93 A 4.4239 9.0013 128.6447 54.8108 19.3805 177.0947 94 S 5.1312 7.8729 107.6555 57.2901 66.8190 173.0928 95 A 5.0643 8.9776 122.0576 50.1440 23.4375 174.5058 96 A 5.1444 8.9080 119.2239 50.9549 23.2708 175.6770 97 I 4.2981 8.9026 123.1452 60.8361 37.9701 176.7658 98 I 4.1119 8.4664 128.7202 63.2475 38.5363 175.9919 99 N 4.8944 7.8564 121.7578 52.0260 41.1073 174.9630 100 E 4.2137 9.1780 125.1593 56.7707 31.7151 179.6807 101 G 3.9373 8.2325 110.8278 47.0535 0.0000 174.5189 102 E 4.6810 9.3309 116.3845 55.9464 30.1605 176.1223 103 L 4.8542 7.5194 118.1480 55.1619 42.6908 179.1437 104 R 4.1703 8.2518 120.2451 58.9853 29.8635 178.3047 105 K 3.9750 7.9944 117.2823 59.5232 32.0979 179.1299 106 E 3.9401 8.1667 117.3854 59.3640 29.3952 178.8308 107 L 4.0633 8.2761 121.5122 57.7886 42.1943 179.1622 108 G 3.5686 8.2168 105.7823 47.8722 0.0000 175.4918 109 S 4.0907 8.3253 116.1080 61.0880 62.3298 176.1295 110 L 3.9439 7.7724 122.8577 57.9627 41.8461 178.9622 111 V 3.5468 7.8849 118.2727 65.8865 31.3924 177.9106 112 E 3.8840 8.2636 118.3462 59.4462 29.1347 179.5188 113 K 3.9609 7.5053 117.2005 59.3925 32.2998 179.2306 114 I 3.6467 7.6318 120.3217 64.0633 36.9779 178.3642 115 K 3.9111 8.0304 120.6775 59.1136 31.7639 179.0237 116 G 3.6344 7.7551 105.1128 47.0713 0.0000 175.0015 117 L 4.1224 7.2798 119.7525 56.4206 41.8079 176.8615 118 Q 4.0452 7.5266 122.4853 56.0517 28.6059 175.8428 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 Y 8.00 4.65 0.00 3.19 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 3 V 7.06 2.55 1.54 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 -0.62 0.00 0.00 0.18 0.00 0.00 4 R 6.51 4.51 0.00 1.78 2.05 0.00 3.43 0.00 0.00 3.58 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 5 F 6.58 4.70 0.00 3.03 3.03 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 6 E 8.90 4.07 0.00 1.93 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 2.29 2.38 0.00 7 V 7.99 4.43 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 0.97 0.00 0.00 1.25 0.00 0.00 8 P 0.00 4.29 0.00 2.20 1.99 0.00 3.71 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 2.12 2.17 0.00 9 E 8.95 3.86 0.00 2.08 1.98 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 2.40 2.51 0.00 10 D 8.23 4.42 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 11 M 7.95 4.00 0.00 2.20 2.05 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 2.65 2.58 0.00 12 Q 8.10 4.17 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 13 N 8.23 4.35 0.00 3.08 2.93 0.00 0.00 6.51 7.82 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 14 E 8.13 3.94 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 15 A 8.42 4.08 1.36 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 0.00 0.00 16 L 8.29 4.07 0.00 1.91 1.77 0.98 0.67 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 17 S 8.36 4.24 0.00 3.91 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 18 L 8.23 3.97 0.00 1.86 2.01 0.95 0.48 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 19 L 8.18 3.90 0.00 1.59 1.67 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.81 4.29 0.00 2.18 2.19 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 2.54 2.16 0.00 21 K 7.77 4.11 0.00 2.03 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.44 7.81 22 V 8.31 3.62 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 0.93 0.00 0.00 0.94 0.00 0.00 23 R 7.59 4.05 0.00 1.98 2.16 0.00 3.23 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 24 E 7.98 4.33 0.00 2.15 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 2.27 2.47 0.00 25 S 8.03 4.40 0.00 3.84 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 26 G 8.66 4.39 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 0.00 0.00 0.00 27 K 8.74 4.77 0.00 1.87 1.65 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.46 7.81 28 V 8.30 4.95 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 0.82 0.00 0.00 0.89 0.00 0.00 29 K 9.05 4.83 0.00 1.66 1.65 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.49 7.81 30 K 8.91 4.72 0.00 1.68 1.70 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.33 7.81 31 G 9.08 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 32 T 8.83 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 1.28 0.00 0.00 33 N 8.23 4.27 0.00 2.77 2.88 0.00 0.00 7.09 7.66 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 34 E 8.09 3.99 0.00 2.01 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 2.40 2.40 0.00 35 T 8.23 3.87 4.43 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 1.22 0.00 0.00 36 T 8.40 3.91 4.41 0.00 0.00 0.00 0.00 0.00 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 37 K 8.01 4.12 0.00 2.01 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 38 A 8.25 4.02 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 39 V 7.87 3.51 2.22 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 1.09 0.00 0.00 0.96 0.00 0.00 40 E 8.18 3.95 0.00 2.12 2.02 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 2.36 2.53 0.00 41 R 8.63 4.09 0.00 1.80 1.98 0.00 3.32 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 G 8.10 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 43 L 8.36 4.51 0.00 1.69 1.70 0.93 0.76 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 44 A 7.93 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.09 4.29 0.00 1.80 1.89 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 L 7.69 4.68 0.00 1.75 1.55 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.79 4.97 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 1.00 0.00 0.00 0.97 0.00 0.00 48 Y 9.37 5.09 0.00 2.87 2.87 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 49 I 8.24 4.83 1.53 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 1.01 0.00 0.00 50 A 9.12 4.69 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 51 E 9.11 4.74 0.00 2.14 1.96 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 2.19 2.35 0.00 52 D 7.91 4.97 0.00 2.76 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 53 V 8.03 4.00 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 0.77 0.00 0.00 1.11 0.00 0.00 54 D 8.36 4.54 0.00 2.58 2.51 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 55 P 0.00 4.20 0.00 2.02 1.99 0.00 3.74 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 2.00 2.10 0.00 56 P 0.00 3.68 0.00 2.22 1.86 0.00 3.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 57 E 9.20 3.98 0.00 1.91 2.02 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 2.29 2.28 0.00 58 I 7.84 3.83 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 1.40 0.44 0.94 0.00 0.00 59 V 7.68 4.17 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 0.95 0.00 0.00 1.18 0.00 0.00 60 A 7.67 4.13 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 61 H 8.36 4.44 0.00 3.37 3.54 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.09 3.68 0.00 1.60 1.50 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 3.20 0.00 1.93 2.02 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 64 L 7.68 4.14 0.00 1.59 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.53 4.35 0.00 1.86 1.77 0.93 0.77 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 66 C 8.02 4.67 0.00 2.96 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 67 E 8.29 3.95 0.00 2.36 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 0.00 2.64 2.29 0.00 68 E 8.20 4.73 0.00 2.28 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 2.29 2.34 0.00 69 K 7.90 4.47 0.00 1.96 1.81 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.63 7.81 70 N 8.09 4.13 0.00 2.81 2.86 0.00 0.00 6.90 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 71 V 7.60 4.40 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 1.09 0.00 0.00 1.03 0.00 0.00 72 P 0.00 4.86 0.00 2.09 2.11 0.00 3.75 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 2.21 1.95 0.00 73 Y 7.82 5.37 0.00 2.84 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 74 I 8.48 4.70 1.71 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 1.19 1.47 0.40 0.00 0.00 75 Y 8.58 4.92 0.00 2.79 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 76 V 8.78 4.47 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 1.08 0.00 0.00 1.14 0.00 0.00 77 K 9.06 4.00 0.00 1.76 1.86 0.00 1.73 0.00 0.00 2.03 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.84 1.41 7.81 78 S 8.14 5.35 0.00 3.87 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 79 K 9.56 4.23 0.00 2.09 2.19 0.00 1.39 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.50 7.81 80 N 8.09 4.31 0.00 2.85 2.91 0.00 0.00 7.17 8.08 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 81 D 8.17 4.34 0.00 3.00 2.75 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 82 L 8.40 4.03 0.00 1.87 2.01 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.91 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 84 R 7.88 3.89 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 85 A 8.08 3.95 1.29 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 0.00 0.00 86 V 7.59 3.75 2.02 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 0.62 0.00 0.00 0.97 0.00 0.00 87 G 8.37 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.51 4.63 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 1.57 0.97 0.90 0.00 0.00 89 E 8.89 3.99 0.00 2.09 2.13 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 2.28 2.34 0.00 90 V 7.41 4.11 2.08 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 0.95 0.00 0.00 0.93 0.00 0.00 91 P 0.00 4.53 0.00 2.19 2.22 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 92 C 9.02 4.65 0.00 2.90 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 93 A 9.00 4.42 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 94 S 7.87 5.13 0.00 4.04 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 95 A 8.98 5.06 1.13 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 0.00 0.00 96 A 8.91 5.14 1.24 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 0.00 0.00 97 I 8.90 4.30 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.95 0.00 0.00 98 I 8.47 4.11 2.01 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 1.12 0.78 0.92 0.00 0.00 99 N 7.86 4.89 0.00 2.72 2.64 0.00 0.00 6.96 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 0.00 100 E 9.18 4.21 0.00 2.17 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 0.00 2.37 2.37 0.00 101 G 8.23 3.94 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 0.00 0.00 0.00 102 E 9.33 4.68 0.00 2.06 2.02 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 2.18 2.30 0.00 103 L 7.52 4.85 0.00 1.75 1.67 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.25 4.17 0.00 1.89 2.02 0.00 3.54 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 105 K 7.99 3.98 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 106 E 8.17 3.94 0.00 2.17 2.22 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 2.55 2.33 0.00 107 L 8.28 4.06 0.00 1.80 1.99 0.94 0.90 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 0.00 108 G 8.22 3.57 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 0.00 109 S 8.33 4.09 0.00 3.94 4.08 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 0.00 110 L 7.77 3.94 0.00 1.97 1.78 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.88 3.55 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 0.93 0.00 0.00 0.93 0.00 0.00 112 E 8.26 3.88 0.00 2.21 1.94 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 2.29 2.49 0.00 113 K 7.51 3.96 0.00 1.73 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 114 I 7.63 3.65 1.85 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 1.28 0.67 0.63 0.00 0.00 115 K 8.03 3.91 0.00 1.73 1.85 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 116 G 7.76 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 0.00 117 L 7.28 4.12 0.00 1.14 1.45 0.82 0.94 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 0.00 118 Q 7.53 4.05 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00