NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4938 8.2893 118.8018 54.0113 32.5460 175.4619 4 S 4.2991 8.3667 120.8875 57.1197 64.7399 173.1098 5 D 4.4416 9.3498 121.6705 57.3380 40.8296 180.0889 6 L 4.1080 7.9202 119.2556 57.4152 41.6630 179.4387 7 V 3.7013 7.5583 117.2138 66.2300 31.2850 178.0700 8 T 3.8862 7.6178 114.0653 66.5227 68.5898 176.0725 9 K 4.0512 7.8144 121.1844 59.4656 32.2606 178.2294 10 F 4.1770 8.4307 121.0930 61.7625 39.0911 177.0673 11 E 3.8327 8.6391 117.6891 58.0160 29.2721 178.8178 12 S 4.2217 7.6625 113.1988 59.0517 64.0006 174.3447 13 L 4.2705 7.2037 123.7864 53.6894 42.5272 177.8064 14 I 3.6536 8.1424 122.4538 63.7499 38.5184 177.8408 15 I 3.5022 7.5052 113.3760 62.7864 37.3653 177.4196 16 S 3.9241 7.7764 115.7445 59.5657 62.9846 175.3084 17 K 4.3707 7.6991 119.7441 56.1341 32.3358 175.4848 18 Y 4.1014 7.3914 121.1505 56.2031 39.0704 173.5613 19 P 4.2798 0.0000 0.0000 62.5155 31.9409 176.1950 20 V 3.8470 8.2684 123.1381 61.3317 31.9885 176.6079 21 S 4.6367 8.2789 120.6984 56.0160 61.5574 172.8760 22 F 5.0529 7.9258 121.9498 57.1143 39.8691 176.1852 23 T 4.4267 9.1802 117.9701 61.4553 70.9409 176.5763 24 K 3.9797 8.7534 127.8526 60.8425 31.5089 178.5466 25 E 4.1695 8.0647 118.9219 60.8925 29.7404 180.9816 26 Q 3.8961 7.9097 119.1308 58.7929 28.7420 178.8128 27 S 4.1588 8.1324 116.0913 61.7605 62.9191 176.6492 28 A 3.9871 8.1932 123.3577 55.5464 18.1117 179.7994 29 Q 3.8758 8.0977 116.1587 58.8400 28.7486 178.7273 30 A 4.1251 8.4282 122.1626 55.2101 18.4728 179.5767 31 A 4.0073 8.2355 119.3513 55.1448 18.3992 179.5479 32 Q 3.7746 8.1861 118.1769 59.3233 29.0606 178.8431 33 W 4.1262 8.0605 119.7909 59.3128 28.9332 178.2014 34 E 3.9949 8.4035 119.5684 59.4748 29.0507 178.8736 35 S 4.0999 8.0927 115.0802 61.6989 62.9365 176.8284 36 V 3.4955 7.7988 120.6420 66.0184 31.2177 178.0035 37 L 4.0437 8.1709 118.4834 58.0074 41.3452 179.7782 38 K 4.0709 8.1814 117.4312 59.1885 32.0773 178.7898 39 S 4.4656 8.2585 112.1483 58.0962 63.2854 174.4474 40 G 3.9372 7.9127 110.3260 47.2331 0.0000 174.1615 41 Q 4.7168 8.0272 116.5275 55.2708 29.5406 178.2221 42 I 4.0950 7.9661 122.2273 64.6870 37.7293 178.3673 43 Q 3.9450 7.9066 121.6943 58.6468 28.7775 176.3673 44 P 4.4679 0.0000 0.0000 64.9064 31.5128 176.6127 45 H 4.7970 7.9916 115.7658 55.8588 28.8818 176.4568 46 L 4.0894 8.1492 123.7379 58.0436 41.4214 179.1133 47 D 4.4820 8.2204 118.4037 57.2983 40.8294 178.3254 48 Q 4.0008 8.1751 119.6270 59.1839 29.1589 177.8454 49 L 4.0127 8.4731 121.5258 58.4038 42.1887 178.5297 50 N 4.3762 8.6107 117.1948 56.5581 37.8308 176.6596 51 L 3.9698 7.9770 121.9228 57.9284 42.3251 178.9158 52 V 3.6795 8.2568 118.6854 66.2105 31.2987 177.9026 53 L 4.3243 7.6007 117.5030 55.9675 41.5222 178.7841 54 R 3.6787 7.4228 118.4604 58.9314 30.0795 177.2074 55 D 4.7567 7.2934 115.1998 53.1075 42.3723 176.0422 56 N 4.9753 7.4667 117.1160 51.2821 41.8970 175.5464 57 T 3.4982 8.5410 119.6084 65.8231 69.0253 174.3407 58 F 5.1505 7.3354 117.6215 55.0627 42.7435 175.9270 59 I 3.4202 8.9755 123.6402 64.2951 36.7848 178.2334 60 V 4.2093 7.6539 117.4963 62.9126 32.0017 175.1079 61 S 3.6948 7.6646 109.9503 59.7219 60.6992 171.8801 62 T 4.7253 7.6256 107.5225 59.5789 71.5304 174.5074 63 L 3.9236 8.1278 121.1165 56.7405 41.8431 176.9472 64 Y 4.6411 6.9834 113.7433 54.7232 41.6932 173.2645 65 P 3.8401 0.0000 0.0000 63.0361 32.1249 176.5123 66 T 4.7859 8.7386 112.7013 59.4941 72.7258 175.3283 67 S 3.7308 8.5562 114.8965 61.7230 62.4998 176.5668 68 T 3.9287 7.5803 118.0812 66.7473 68.2388 176.0916 69 D 4.6208 8.0479 120.1957 57.4387 40.8794 178.9577 70 V 3.4980 7.3829 118.3300 66.3545 31.0266 177.9087 71 H 4.3697 8.4757 116.3993 58.8313 28.5076 178.0521 72 V 3.5363 8.2063 120.3259 65.9284 31.2928 177.7226 73 F 4.2312 8.7041 120.5253 61.5098 38.9458 176.6901 74 E 3.6853 8.1725 117.7104 58.7915 29.0936 178.3827 75 V 3.8719 7.3582 117.3997 65.1636 31.8916 177.8418 76 A 4.0179 8.6616 120.9685 54.9105 18.1728 178.9978 77 L 3.7109 7.8246 119.4548 57.9341 42.0391 177.5003 78 P 4.1752 0.0000 0.0000 65.6679 31.1298 178.0284 79 L 3.8819 7.5432 119.1033 58.0869 42.0444 179.0706 80 I 3.6384 7.9240 119.9712 64.2603 36.9249 178.5225 81 K 4.0110 8.1910 119.3903 59.6055 31.8492 179.1628 82 D 4.3215 8.2553 119.1036 57.3598 40.5453 178.7540 83 L 4.0007 8.0939 118.8127 57.7374 41.9139 179.5424 84 V 3.6408 8.3188 118.4126 65.9459 31.2992 177.9956 85 A 4.0709 8.1568 119.8577 54.3577 18.2266 178.7362 86 S 4.5825 7.5296 109.8965 57.2617 63.8411 174.3501 87 S 4.2040 7.2661 117.5420 58.5964 62.5400 174.6498 88 K 4.0496 8.5570 126.2944 58.8206 32.3895 177.4242 89 D 4.3595 7.9052 118.0325 52.2368 43.0503 175.6280 90 V 3.3758 8.1479 128.6304 64.3820 31.4766 177.8609 91 K 4.0006 7.9938 120.0565 59.4246 32.1416 178.7338 92 S 4.2232 8.2463 115.7726 61.0010 62.6872 176.7031 93 T 3.8545 7.4597 118.6083 66.6241 68.4029 175.6777 94 Y 4.7956 8.1865 119.2588 61.7551 37.6599 179.2516 95 T 3.9987 8.2479 110.2367 64.9177 68.6280 176.6031 96 T 3.8335 7.5121 117.4692 65.1527 68.8527 174.1563 97 Y 5.0145 7.6810 118.9392 56.9264 39.4101 178.0045 98 R 3.9333 8.2351 120.8535 59.7832 30.3024 177.9411 99 H 4.4709 7.8943 115.2216 58.4816 29.0190 177.6176 100 I 3.9087 7.8730 121.2676 64.4751 36.9813 178.2834 101 L 4.1503 8.4351 120.0902 57.6873 41.4858 179.3918 102 R 3.9408 8.1804 118.7295 59.3850 29.9628 178.4526 103 W 4.2685 8.3896 128.0601 60.4059 30.6955 178.0204 104 I 3.5884 8.7436 120.2653 64.3209 36.3522 177.6475 105 D 4.3289 8.2932 118.8702 57.5710 40.9545 177.7756 106 Y 3.8534 7.7851 119.1692 61.1160 38.8613 178.0415 107 M 3.7046 8.0619 120.1677 58.0608 31.8388 178.8438 108 Q 3.9871 8.1770 118.1936 59.1001 28.8327 178.4622 109 N 4.2295 7.6775 118.4756 55.8354 38.4205 176.9704 110 L 3.7079 7.4008 121.0984 57.8942 42.1251 177.6066 111 L 4.3456 7.7494 115.0658 53.7060 41.9924 176.2786 112 E 3.7210 7.6560 116.8260 57.1879 27.3662 175.5863 113 V 3.7137 7.7473 117.1698 62.4914 32.7297 175.4416 114 S 4.1617 8.6323 120.8159 58.5548 62.8647 174.6503 115 S 4.1018 8.9939 121.2190 62.1288 61.7329 176.8681 116 T 4.0181 7.8530 110.4819 64.4275 68.6795 175.3799 117 D 4.5752 8.1025 120.2802 54.3906 41.4990 177.1051 118 K 4.2763 6.8772 117.4644 56.1149 32.6945 176.1782 119 L 4.2415 8.4286 123.7761 54.1007 42.7075 176.3880 120 E 4.0716 8.8289 126.9755 56.2827 30.0201 175.7428 121 I 4.4016 8.2257 126.5785 59.4842 40.0322 175.2927 122 N 4.5283 8.3253 120.3083 53.4096 38.8252 174.5187 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 3 M 8.29 4.49 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 4 S 8.37 4.30 0.00 4.23 4.11 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 5 D 9.35 4.44 0.00 2.73 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 6 L 7.92 4.11 0.00 1.77 1.80 1.08 0.97 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 7 V 7.56 3.70 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 1.24 0.00 0.00 1.02 0.00 0.00 8 T 7.62 3.89 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 1.22 0.00 0.00 9 K 7.81 4.05 0.00 1.87 2.04 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.51 7.81 10 F 8.43 4.18 0.00 3.06 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 11 E 8.64 3.83 0.00 1.94 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 2.33 2.43 0.00 12 S 7.66 4.22 0.00 4.00 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 13 L 7.20 4.27 0.00 1.60 1.48 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.14 3.65 1.79 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 1.49 0.81 0.00 0.00 15 I 7.51 3.50 1.49 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 1.43 0.40 0.50 0.00 0.00 16 S 7.78 3.92 0.00 3.05 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 17 K 7.70 4.37 0.00 1.82 1.80 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.30 7.81 18 Y 7.39 4.10 0.00 2.99 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 19 P 0.00 4.28 0.00 2.00 1.92 0.00 3.14 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 1.85 1.96 0.00 20 V 8.27 3.85 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 -0.09 0.00 0.00 0.04 0.00 0.00 21 S 8.28 4.64 0.00 3.85 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 22 F 7.93 5.05 0.00 3.08 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 23 T 9.18 4.43 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 1.31 0.00 0.00 24 K 8.75 3.98 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.09 7.81 25 E 8.06 4.17 0.00 1.97 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 2.31 1.97 0.00 26 Q 7.91 3.90 0.00 2.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 27 S 8.13 4.16 0.00 4.15 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 28 A 8.19 3.99 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.10 3.88 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 30 A 8.43 4.13 1.46 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 0.00 0.00 31 A 8.24 4.01 1.40 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 0.00 0.00 32 Q 8.19 3.77 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 33 W 8.06 4.13 0.00 3.48 3.21 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 34 E 8.40 3.99 0.00 2.30 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 2.35 2.42 0.00 35 S 8.09 4.10 0.00 4.04 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 36 V 7.80 3.50 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 1.07 0.00 0.00 0.42 0.00 0.00 37 L 8.17 4.04 0.00 1.96 1.75 1.03 0.79 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 38 K 8.18 4.07 0.00 1.72 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 39 S 8.26 4.47 0.00 4.02 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 40 G 7.91 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 41 Q 8.03 4.72 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 42 I 7.97 4.10 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.99 0.00 0.00 43 Q 7.91 3.94 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 P 0.00 4.47 0.00 2.21 2.16 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 45 H 7.99 4.80 0.00 3.54 3.50 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.15 4.09 0.00 1.88 1.79 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.22 4.48 0.00 2.75 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 48 Q 8.18 4.00 0.00 2.17 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 49 L 8.47 4.01 0.00 1.95 1.88 -0.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.61 4.38 0.00 3.07 3.07 0.00 0.00 6.89 6.90 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 51 L 7.98 3.97 0.00 1.85 1.84 0.91 0.92 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 52 V 8.26 3.68 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 0.94 0.00 0.00 1.14 0.00 0.00 53 L 7.60 4.32 0.00 1.57 1.60 0.17 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.42 3.68 0.00 1.71 1.97 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 55 D 7.29 4.76 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.47 4.98 0.00 2.74 2.71 0.00 0.00 6.87 6.33 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 57 T 8.54 3.50 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 0.13 0.00 0.00 58 F 7.34 5.15 0.00 3.12 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 59 I 8.98 3.42 1.68 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 0.38 0.10 0.30 0.00 0.00 60 V 7.65 4.21 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 0.35 0.00 0.00 0.96 0.00 0.00 61 S 7.66 3.69 0.00 4.06 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 62 T 7.63 4.73 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 1.58 0.00 0.00 63 L 8.13 3.92 0.00 0.87 0.71 0.84 0.61 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 64 Y 6.98 4.64 0.00 2.77 2.68 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 65 P 0.00 3.84 0.00 1.96 1.68 0.00 3.57 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.39 0.00 66 T 8.74 4.79 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 1.43 0.00 0.00 67 S 8.56 3.73 0.00 3.98 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 0.00 68 T 7.58 3.93 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 1.22 0.00 0.00 69 D 8.05 4.62 0.00 2.77 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 70 V 7.38 3.50 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 0.96 0.00 0.00 0.02 0.00 0.00 71 H 8.48 4.37 0.00 3.27 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.21 3.54 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 0.73 0.00 0.00 0.83 0.00 0.00 73 F 8.70 4.23 0.00 2.78 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 74 E 8.17 3.69 0.00 2.22 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 0.00 2.33 2.29 0.00 75 V 7.36 3.87 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 0.98 0.00 0.00 1.01 0.00 0.00 76 A 8.66 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 3.71 0.00 0.80 1.14 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.18 0.00 2.25 2.23 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 79 L 7.54 3.88 0.00 1.86 1.82 0.90 1.02 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 80 I 7.92 3.64 1.92 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 1.51 0.09 0.96 0.00 0.00 81 K 8.19 4.01 0.00 1.92 1.86 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.71 7.81 82 D 8.26 4.32 0.00 2.84 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 0.00 0.00 0.00 0.00 83 L 8.09 4.00 0.00 1.76 1.75 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.32 3.64 2.24 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 1.00 0.00 0.00 1.07 0.00 0.00 85 A 8.16 4.07 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 86 S 7.53 4.58 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 87 S 7.27 4.20 0.00 4.04 3.77 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 88 K 8.56 4.05 0.00 1.77 1.84 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.36 7.81 89 D 7.91 4.36 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.38 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 0.69 0.00 0.00 0.18 0.00 0.00 91 K 7.99 4.00 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.59 7.81 92 S 8.25 4.22 0.00 4.08 4.31 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 93 T 7.46 3.85 4.17 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 0.00 0.00 1.38 0.00 0.00 94 Y 8.19 4.80 0.00 3.11 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 95 T 8.25 4.00 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 1.32 0.00 0.00 96 T 7.51 3.83 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 0.48 0.00 0.00 97 Y 7.68 5.01 0.00 3.11 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 98 R 8.24 3.93 0.00 1.56 1.87 0.00 3.06 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 99 H 7.89 4.47 0.00 3.32 3.39 0.00 5.63 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 0.00 100 I 7.87 3.91 2.18 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 1.60 0.74 1.13 0.00 0.00 101 L 8.44 4.15 0.00 1.94 1.76 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.18 3.94 0.00 1.95 2.20 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 103 W 8.39 4.27 0.00 3.38 3.42 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 0.00 104 I 8.74 3.59 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 1.06 0.00 0.00 105 D 8.29 4.33 0.00 2.95 2.91 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 0.00 0.00 0.00 106 Y 7.79 3.85 0.00 3.18 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 0.00 107 M 8.06 3.70 0.00 0.51 0.72 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.91 0.00 108 Q 8.18 3.99 0.00 2.36 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.39 0.00 109 N 7.68 4.23 0.00 2.85 2.73 0.00 0.00 6.52 6.53 0.00 0.00 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 7.40 3.71 0.00 1.20 1.59 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.75 4.35 0.00 1.59 1.66 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.66 3.72 0.00 2.09 1.97 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 2.21 2.17 0.00 113 V 7.75 3.71 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 0.76 0.00 0.00 1.14 0.00 0.00 114 S 8.63 4.16 0.00 3.89 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 0.00 115 S 8.99 4.10 0.00 3.92 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 0.00 116 T 7.85 4.02 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 0.00 117 D 8.10 4.58 0.00 2.77 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 0.00 118 K 6.88 4.28 0.00 1.94 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.55 7.81 119 L 8.43 4.24 0.00 1.63 1.61 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.83 4.07 0.00 2.01 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 2.41 2.35 0.00 121 I 8.23 4.40 1.84 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 1.35 0.77 0.84 0.00 0.00 122 N 8.33 4.53 0.00 2.51 2.63 0.00 0.00 6.86 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