NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.6187 8.1849 122.7622 55.1900 43.3889 175.5801 2 Q 4.6456 9.3082 124.8104 53.8236 33.4064 172.6660 3 R 5.1723 8.7186 119.1142 55.0413 33.1438 175.2710 4 T 4.7530 8.9380 116.0575 60.4794 71.8919 171.7997 5 L 5.1902 8.4603 126.9495 53.3224 44.5998 175.1315 6 V 5.0372 9.2106 125.8504 61.1219 34.7538 173.8674 7 L 5.0851 8.8876 127.3639 53.0500 44.6973 175.2754 8 I 4.8019 8.6753 124.7635 60.0168 38.9926 175.7453 9 K 4.6811 8.9310 126.9172 54.6962 33.8599 176.3368 10 P 4.7684 0.0000 0.0000 65.1041 31.2010 178.7045 11 D 4.6045 8.4887 117.5173 56.1837 39.3914 178.3213 12 A 4.0917 8.2376 122.5774 55.1247 18.2190 179.6280 13 F 3.9967 8.2987 115.8839 60.5508 38.8640 177.4140 14 E 4.0777 8.2599 118.1886 58.8740 29.5845 178.1458 15 R 4.3887 8.1698 115.0901 54.8641 30.8626 176.2446 16 S 3.7030 7.5777 113.9280 60.1623 61.0256 173.3129 17 L 4.5807 8.1788 117.0430 54.4150 42.0046 177.8411 18 V 3.3350 7.4333 119.9261 66.1890 31.4560 177.8726 19 A 3.9604 7.7988 119.8478 54.8223 18.2034 178.7469 20 E 3.8263 8.1755 117.4613 59.6517 29.1600 179.1378 21 I 3.6648 7.8058 119.3676 64.8307 37.2808 178.3667 22 M 4.2677 8.2558 119.6429 58.4814 31.6832 179.1738 23 G 3.6530 8.7199 106.2227 47.6901 0.0000 176.0735 24 R 3.9417 7.6362 119.4231 59.0754 30.2493 178.9249 25 I 3.8405 7.4515 119.1137 64.1451 37.0211 177.9060 26 E 3.9599 8.1851 120.1623 59.4521 29.2763 179.1592 27 K 4.0004 8.0966 117.0162 58.6613 32.0861 178.2153 28 K 4.1925 7.4471 117.7504 55.8486 32.0826 175.7787 29 N 4.2326 7.9490 114.5829 54.8643 37.6198 173.8564 30 F 4.8193 7.8789 113.4650 55.9692 40.6181 175.1690 31 K 4.8599 8.7872 122.8384 54.4969 35.0709 175.7327 32 I 3.9843 8.4730 124.9185 61.8711 36.9672 175.9199 33 V 3.9984 8.7419 128.8140 65.0085 32.1411 175.9905 34 S 4.6481 7.3209 112.6969 57.3751 66.7691 172.2236 35 M 5.3769 8.2807 118.6616 54.6489 35.1801 173.7385 36 K 4.5463 9.8487 125.1980 54.4992 36.1525 174.7974 37 F 4.8769 8.6990 127.1226 56.7587 40.5684 174.9307 38 W 4.4021 8.4394 127.9106 54.6822 29.4222 176.9862 39 S 3.5054 8.1355 121.2633 60.6912 62.4513 174.7928 40 K 4.4089 7.5169 121.0065 54.6364 34.1477 174.7730 41 A 3.9723 8.4824 130.4048 50.9708 18.9319 175.4386 42 P 4.0748 0.0000 0.0000 63.0648 32.9363 177.4846 43 R 3.8177 8.5824 121.7593 59.2563 30.0242 178.4843 44 N 4.2522 7.9797 116.5587 55.8567 37.3205 176.7799 45 L 3.4071 7.5810 120.9934 57.4016 41.5523 179.5372 46 I 3.7769 7.1475 119.3039 64.4578 37.0570 178.3762 47 E 4.1730 8.5412 119.8040 59.4975 29.0771 179.4280 48 Q 3.9462 8.4270 117.2403 59.2354 28.8892 177.7501 49 H 4.0509 8.1913 118.0279 59.3955 29.8122 175.8280 50 Y 4.8019 8.2681 115.6260 58.5545 37.8045 178.3228 51 K 4.5031 8.2080 123.2122 59.4632 32.6658 177.2057 52 E 3.9909 8.2556 118.2916 58.4450 29.9924 176.4566 53 H 4.8255 9.4788 116.0603 55.6661 29.0732 176.6236 54 S 2.7900 7.4088 115.2000 59.7223 62.5580 174.7963 55 E 4.4214 7.6411 118.3684 55.9938 30.4828 175.9267 56 Q 4.1455 7.9503 119.8553 55.0471 29.3926 177.3766 57 S 4.1834 8.2561 114.7015 60.9505 63.5581 175.2101 58 Y 4.4715 7.1605 118.3075 57.1807 38.2032 176.5716 59 F 4.1009 7.6741 123.6179 62.0539 39.4003 176.7733 60 N 4.1464 8.1459 115.1928 56.1841 38.4120 177.1041 61 D 4.3300 8.0115 119.8562 57.2924 40.9288 178.1222 62 N 4.3175 8.6741 117.8005 57.0155 38.9245 176.5907 63 C 3.9631 7.7604 117.9850 62.9431 27.9110 175.8961 64 D 4.3316 7.9813 119.5353 57.1817 40.5901 178.2747 65 F 4.4669 8.4821 121.3353 61.7539 39.2701 177.1166 66 M 3.6201 7.9255 116.3727 56.9750 31.7496 177.7106 67 V 4.1101 7.0730 116.3352 62.6446 32.1858 176.5408 68 S 4.5062 8.0311 112.6070 60.8344 63.6556 173.4478 69 G 3.9314 7.2440 108.9467 44.6488 0.0000 171.0696 70 P 4.4333 0.0000 0.0000 61.8572 32.4309 175.8116 71 I 4.9502 8.2965 114.8355 59.2595 41.4819 174.0005 72 I 5.2061 8.6134 123.5095 59.6536 40.1838 174.6118 73 S 5.1005 9.2698 121.9025 56.7474 65.4564 173.2159 74 I 4.9878 8.9034 124.0087 59.5444 41.5425 174.1634 75 V 4.5296 8.5133 126.9671 61.8514 32.9086 174.1381 76 Y 5.2935 8.8010 125.6101 56.2564 40.9938 174.3067 77 E 5.4809 9.0361 123.4176 53.2746 33.2500 175.4417 78 G 4.6029 8.1364 110.7265 46.9281 0.0000 171.3006 79 T 4.4284 8.6880 117.2803 64.2817 68.8954 174.2023 80 D 4.5089 9.0375 125.9090 55.0556 40.0931 175.4178 81 A 3.6624 8.2625 120.7563 55.0404 18.4134 179.2925 82 I 3.5666 8.0445 118.2927 64.6562 37.2184 178.5107 83 S 4.0912 7.8997 113.0508 61.4680 62.3842 176.4833 84 K 4.0437 8.2965 121.3798 59.5493 31.8308 179.5165 85 I 3.5810 7.5719 120.0943 63.9668 36.8295 178.6016 86 R 3.8555 7.9204 119.0870 59.4443 29.7285 179.2004 87 R 3.9160 7.7793 116.2350 59.0760 30.3008 178.6422 88 L 4.0547 7.8793 120.0339 58.1225 42.0980 178.3714 89 Q 3.8974 8.5348 120.0611 60.3252 29.1498 176.7907 90 G 3.7876 8.7240 109.0002 46.1566 0.0000 171.8383 91 N 4.9818 8.0706 118.5256 51.4662 40.2357 175.4449 92 I 4.1363 8.2382 118.2659 62.9776 37.1891 177.0212 93 L 4.2983 7.9010 119.5449 55.2702 42.3235 176.7654 94 T 4.3804 7.6679 116.2682 60.7253 68.0680 172.3031 95 P 4.5974 0.0000 0.0000 63.3967 31.9786 177.1205 96 G 3.9767 9.6247 110.0898 45.4464 0.0000 174.3476 97 T 4.6057 7.3402 109.6254 59.7739 72.4556 175.5053 98 I 3.6526 8.4480 122.5532 64.8685 37.1468 179.1940 99 R 4.0678 8.2647 118.9868 59.1509 29.6470 179.4633 100 G 4.1443 7.9428 106.1631 47.3527 0.0000 175.1647 101 D 4.5825 8.4407 120.6557 55.8411 41.1105 177.2001 102 L 4.6607 7.9317 115.5635 53.8064 43.8281 176.0154 103 A 4.8845 7.9786 120.4627 50.5756 21.7228 175.3630 104 N 5.0133 8.3617 116.2392 52.9619 39.7749 173.6192 105 D 4.7463 7.8044 113.7985 51.9319 44.3652 175.0823 106 I 3.8356 8.2280 117.5179 62.7328 38.3176 176.6800 107 R 4.0479 7.9049 119.7493 58.0274 30.7190 177.1304 108 E 3.8691 8.3554 122.0025 54.9726 27.9064 175.8280 109 N 4.9723 7.9701 121.2614 52.0752 38.5724 177.4171 110 L 4.1699 9.1026 125.4867 56.1392 41.3697 174.5925 111 I 5.0689 8.3143 116.5897 59.6426 41.3060 173.7090 112 H 5.0883 9.5901 129.1361 54.4152 32.0046 172.9054 113 A 5.0972 8.4760 126.8372 49.6884 21.4884 175.9586 114 S 4.2495 8.4542 118.3647 59.5039 63.2308 174.6541 115 D 4.6922 8.8135 122.2107 53.6617 40.3459 176.3899 116 S 4.5980 7.3747 113.8612 56.4923 66.6413 175.1633 117 E 4.0197 8.6880 122.1504 59.7548 29.1168 179.3892 118 D 4.3207 8.0398 118.1875 57.4755 40.7420 178.3880 119 S 4.1338 8.3341 115.6355 61.8430 62.9566 176.7484 120 A 4.1013 8.4587 123.2157 55.2949 18.1448 179.6322 121 V 3.5075 8.1348 116.8567 66.5116 31.6158 177.0769 122 D 4.3262 8.7441 117.6797 58.2630 40.9442 178.5511 123 E 4.1165 9.5834 119.4162 59.3188 29.4836 179.3882 124 I 4.0496 8.4740 120.4488 64.6453 36.7566 178.5284 125 S 4.1790 8.2182 115.8373 61.6429 62.4623 176.5936 126 I 3.4891 7.4588 121.0307 64.3523 36.9594 178.0569 127 W 4.4447 8.1239 117.3908 57.5262 30.4894 176.9111 128 F 5.0331 8.9010 117.0674 55.1311 38.7413 173.8397 129 P 4.3890 0.0000 0.0000 64.6989 32.0794 176.9829 130 E 4.2061 7.6922 121.5474 56.5853 29.3347 176.4220 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 L 8.18 4.62 0.00 1.68 1.69 0.96 0.39 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 2 Q 9.31 4.65 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 3 R 8.72 5.17 0.00 1.68 1.82 0.00 3.31 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 4 T 8.94 4.75 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 1.20 0.00 0.00 5 L 8.46 5.19 0.00 1.91 1.64 1.37 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.21 5.04 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.05 0.00 0.00 7 L 8.89 5.09 0.00 1.52 1.31 0.38 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.68 4.80 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.24 0.81 0.00 0.00 9 K 8.93 4.68 0.00 2.04 1.67 0.00 1.88 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.61 7.81 10 P 0.00 4.77 0.00 1.98 1.97 0.00 2.98 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 11 D 8.49 4.60 0.00 3.00 3.23 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 12 A 8.24 4.09 1.31 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 0.00 0.00 13 F 8.30 4.00 0.00 3.40 3.23 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 14 E 8.26 4.08 0.00 2.37 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 2.42 2.60 0.00 15 R 8.17 4.39 0.00 1.89 1.95 0.00 3.39 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 16 S 7.58 3.70 0.00 3.96 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 17 L 8.18 4.58 0.00 1.58 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.43 3.33 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 0.84 0.00 0.00 -0.00 0.00 0.00 19 A 7.80 3.96 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 20 E 8.18 3.83 0.00 2.07 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 2.37 2.47 0.00 21 I 7.81 3.66 1.98 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 1.52 0.86 0.92 0.00 0.00 22 M 8.26 4.27 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 23 G 8.72 3.65 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 0.00 0.00 0.00 24 R 7.64 3.94 0.00 1.92 1.99 0.00 3.16 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 25 I 7.45 3.84 1.68 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 1.15 1.16 -0.05 0.00 0.00 26 E 8.19 3.96 0.00 2.20 2.14 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 2.32 2.40 0.00 27 K 8.10 4.00 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.64 7.81 28 K 7.45 4.19 0.00 1.78 1.95 0.00 1.95 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.41 7.81 29 N 7.95 4.23 0.00 2.71 2.60 0.00 0.00 7.08 7.46 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 30 F 7.88 4.82 0.00 2.89 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 31 K 8.79 4.86 0.00 1.73 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.56 7.81 32 I 8.47 3.98 1.85 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 1.01 0.61 0.79 0.00 0.00 33 V 8.74 4.00 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 0.66 0.00 0.00 0.92 0.00 0.00 34 S 7.32 4.65 0.00 3.57 3.67 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 35 M 8.28 5.38 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 36 K 9.85 4.55 0.00 1.45 0.79 0.00 1.07 0.00 0.00 1.11 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.04 1.43 7.81 37 F 8.70 4.88 0.00 3.00 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 38 W 8.44 4.40 0.00 3.02 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 39 S 8.14 3.51 0.00 3.97 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 0.00 40 K 7.52 4.41 0.00 1.62 1.66 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.53 7.81 41 A 8.48 3.97 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 42 P 0.00 4.07 0.00 1.90 1.93 0.00 3.13 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 43 R 8.58 3.82 0.00 1.81 1.87 0.00 3.14 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 44 N 7.98 4.25 0.00 2.86 3.00 0.00 0.00 6.26 6.67 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 45 L 7.58 3.41 0.00 1.33 0.62 0.49 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.15 3.78 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 0.97 0.00 0.00 47 E 8.54 4.17 0.00 2.21 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 2.55 2.34 0.00 48 Q 8.43 3.95 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 49 H 8.19 4.05 0.00 3.17 3.46 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.27 4.80 0.00 3.35 3.23 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 51 K 8.21 4.50 0.00 1.92 2.07 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.48 7.81 52 E 8.26 3.99 0.00 1.96 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 2.25 2.35 0.00 53 H 9.48 4.83 0.00 3.54 3.48 0.00 5.68 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 54 S 7.41 2.79 0.00 3.17 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 55 E 7.64 4.42 0.00 1.80 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 2.12 2.26 0.00 56 Q 7.95 4.15 0.00 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 57 S 8.26 4.18 0.00 3.99 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 58 Y 7.16 4.47 0.00 3.22 3.26 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 59 F 7.67 4.10 0.00 3.15 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 60 N 8.15 4.15 0.00 2.80 2.83 0.00 0.00 7.04 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 61 D 8.01 4.33 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.67 4.32 0.00 2.81 2.81 0.00 0.00 7.26 7.60 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 63 C 7.76 3.96 0.00 2.86 2.76 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 64 D 7.98 4.33 0.00 2.87 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 65 F 8.48 4.47 0.00 2.98 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 66 M 7.93 3.62 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 67 V 7.07 4.11 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 0.87 0.00 0.00 0.87 0.00 0.00 68 S 8.03 4.51 0.00 4.08 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 0.00 69 G 7.24 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 0.00 0.00 0.00 70 P 0.00 4.43 0.00 0.49 1.22 0.00 3.55 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 71 I 8.30 4.95 1.86 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.93 0.73 0.00 0.00 72 I 8.61 5.21 2.09 0.00 0.00 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 1.70 1.54 1.03 0.00 0.00 73 S 9.27 5.10 0.00 3.87 3.30 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 74 I 8.90 4.99 1.55 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.76 -0.07 0.00 0.00 75 V 8.51 4.53 1.77 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 0.96 0.00 0.00 0.39 0.00 0.00 76 Y 8.80 5.29 0.00 2.95 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 77 E 9.04 5.48 0.00 2.01 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 2.26 2.25 0.00 78 G 8.14 4.60 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 0.00 0.00 0.00 79 T 8.69 4.43 4.25 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 1.24 0.00 0.00 80 D 9.04 4.51 0.00 2.91 2.76 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 81 A 8.26 3.66 1.39 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 82 I 8.04 3.57 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.96 0.00 0.00 83 S 7.90 4.09 0.00 3.89 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 84 K 8.30 4.04 0.00 1.93 2.04 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.78 2.00 7.81 85 I 7.57 3.58 1.71 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.73 0.00 0.00 86 R 7.92 3.86 0.00 2.06 1.96 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 87 R 7.78 3.92 0.00 1.97 2.00 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 88 L 7.88 4.05 0.00 2.00 1.71 0.94 0.76 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 89 Q 8.53 3.90 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.62 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 90 G 8.72 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 0.00 0.00 0.00 91 N 8.07 4.98 0.00 2.90 2.89 0.00 0.00 6.00 7.77 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 92 I 8.24 4.14 1.85 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 0.78 0.96 0.00 0.00 93 L 7.90 4.30 0.00 1.82 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.67 4.38 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 1.21 0.00 0.00 95 P 0.00 4.60 0.00 2.03 1.98 0.00 3.65 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 2.02 2.08 0.00 96 G 9.62 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 97 T 7.34 4.61 4.42 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 1.27 0.00 0.00 98 I 8.45 3.65 1.87 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 1.51 1.03 0.91 0.00 0.00 99 R 8.26 4.07 0.00 2.04 1.92 0.00 3.34 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 100 G 7.94 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 0.00 0.00 0.00 0.00 101 D 8.44 4.58 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.66 0.00 1.70 1.65 0.91 0.71 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 0.00 103 A 7.98 4.88 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 0.00 104 N 8.36 5.01 0.00 2.59 2.70 0.00 0.00 6.71 8.47 0.00 0.00 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 D 7.80 4.75 0.00 2.53 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 0.00 106 I 8.23 3.84 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.84 0.00 0.00 107 R 7.90 4.05 0.00 1.57 1.82 0.00 2.98 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.42 0.00 108 E 8.36 3.87 0.00 1.71 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 1.47 1.63 0.00 109 N 7.97 4.97 0.00 2.90 3.11 0.00 0.00 6.17 6.67 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 0.00 110 L 9.10 4.17 0.00 1.96 1.90 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.31 5.07 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.98 0.00 0.00 112 H 9.59 5.09 0.00 3.39 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.48 5.10 1.14 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 0.00 0.00 114 S 8.45 4.25 0.00 3.81 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 0.00 115 D 8.81 4.69 0.00 2.80 2.80 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 0.00 116 S 7.37 4.60 0.00 4.03 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 0.00 117 E 8.69 4.02 0.00 2.04 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 2.42 2.42 0.00 118 D 8.04 4.32 0.00 2.70 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 0.00 119 S 8.33 4.13 0.00 4.04 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 0.00 120 A 8.46 4.10 1.41 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 0.00 0.00 0.00 121 V 8.13 3.51 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 1.01 0.00 0.00 1.01 0.00 0.00 122 D 8.74 4.33 0.00 2.97 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 0.00 123 E 9.58 4.12 0.00 2.06 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 0.00 2.13 2.39 0.00 124 I 8.47 4.05 2.03 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 1.63 1.10 1.04 0.00 0.00 125 S 8.22 4.18 0.00 3.99 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 0.00 126 I 7.46 3.49 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 -0.01 0.00 0.00 127 W 8.12 4.44 0.00 3.38 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 0.00 128 F 8.90 5.03 0.00 3.25 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 0.00 129 P 0.00 4.39 0.00 2.07 2.13 0.00 3.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 130 E 7.69 4.21 0.00 1.89 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 2.39 2.32 0.00