NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4521 8.1927 115.4143 57.8075 64.5999 174.2667 3 V 3.3820 8.1645 119.7074 65.2608 31.1458 175.9450 4 Y 3.9906 8.8154 120.2343 60.6538 39.1971 177.2007 5 D 4.2622 8.1877 119.5271 57.3685 40.7735 178.5400 6 A 3.9116 7.5959 119.2903 55.1070 18.5017 179.2746 7 A 3.8832 8.1183 119.1496 55.2648 18.3063 179.7972 8 A 3.7388 7.9836 117.8745 54.6912 18.3550 179.1574 9 Q 4.0991 7.5778 117.0849 57.3331 29.1827 176.0070 10 L 3.7832 7.0146 120.2302 55.4536 41.9287 177.8065 11 T 4.3073 8.1894 114.2880 60.3446 71.7110 175.3410 12 A 3.9328 8.3508 122.5070 55.5791 18.2689 179.6356 13 D 4.2842 7.9468 116.8028 57.3770 40.9152 179.0384 14 V 3.4938 7.4310 118.0364 65.9115 31.4805 178.2975 15 K 3.8423 8.2755 118.6206 59.1083 31.7705 179.2922 16 K 3.9340 8.0989 119.9915 59.6854 32.1582 178.7014 17 D 4.5544 8.1012 119.2007 57.2268 40.6408 178.7916 18 L 3.7267 7.9970 119.6040 57.8027 41.6130 179.8034 19 R 4.0416 8.1611 118.0701 59.3902 28.4746 178.8473 20 D 4.4833 8.4214 119.0241 57.5264 40.8881 179.1020 21 S 3.2752 8.1799 114.7291 60.6530 62.9954 176.3074 22 W 4.3458 8.6615 132.0295 60.0750 30.1930 177.9574 23 K 3.8698 8.0187 118.0887 59.1984 31.6900 178.7495 24 V 3.8407 7.0556 116.8422 65.2878 31.6041 178.2191 25 I 3.5391 7.5903 111.6460 63.2496 37.5640 177.0797 26 G 2.0324 6.9708 108.6366 45.3769 0.0000 174.5422 27 S 4.1382 7.2335 114.2259 59.7351 63.7083 174.3212 28 D 4.6339 7.1909 120.3204 51.2072 41.1822 175.2484 29 K 3.8101 7.9996 123.2211 58.5182 32.4013 178.4103 30 K 4.0129 7.9609 119.5993 59.4015 32.4068 179.0054 31 G 3.5043 8.3327 105.8947 48.0997 0.0000 175.4647 32 N 4.4901 8.4053 119.7476 55.1826 38.5177 178.0579 33 G 3.4833 8.0701 107.5970 47.7907 0.0000 176.0915 34 V 3.5788 7.8039 120.9045 65.3856 31.4957 177.9346 35 A 3.9112 7.8727 120.4792 54.9701 18.2746 179.5043 36 L 3.7407 7.8670 117.4061 58.0015 41.8661 179.9997 37 V 3.0995 7.5662 118.1850 66.0389 31.4547 178.2130 38 T 3.9104 7.9893 109.7524 64.9913 68.4824 176.7348 39 T 3.8604 7.7906 118.7693 66.0435 68.3900 176.4341 40 L 3.8208 7.4807 122.2147 58.2766 41.8463 179.1876 41 F 4.5323 7.2831 115.8849 60.4410 38.8577 177.3183 42 A 4.1754 7.9766 119.7883 55.1242 18.3549 178.8676 43 D 4.6774 8.1855 115.2156 54.9615 42.8554 176.8932 44 N 5.2370 8.1218 115.9459 49.2678 39.4228 174.8984 45 Q 4.2344 8.1680 120.3602 58.6323 29.3980 177.9225 46 E 4.1560 8.2856 117.9454 58.5011 29.8017 178.1550 47 T 4.5648 8.2189 110.4482 63.0775 69.3802 176.5828 48 I 3.6403 7.7618 123.5939 64.6819 36.9135 178.0697 49 G 3.6439 8.0699 104.5878 48.1897 0.0000 174.7883 50 Y 4.4034 7.7264 117.4191 59.8377 38.0253 176.5842 51 F 4.9176 8.2265 119.0276 56.8013 39.8118 178.0590 52 K 3.9678 8.2127 122.8705 59.7777 32.4480 178.7884 53 R 3.9610 8.0083 118.8520 59.0406 30.0830 177.0422 54 L 4.2346 8.0699 116.1530 55.1116 42.6901 179.1063 55 G 3.7783 7.7024 106.5324 46.3677 0.0000 176.0494 56 D 4.5062 8.3934 121.5910 53.4982 41.0421 177.1062 57 V 3.8798 7.9846 120.3107 62.7517 31.5639 177.6016 58 S 4.3454 8.3668 113.9960 60.4051 63.0998 175.6684 59 Q 4.1521 8.2417 121.7486 56.4208 28.9594 177.1832 60 G 3.8951 8.4904 109.3123 46.2314 0.0000 176.1091 61 M 3.9414 9.0177 121.1665 58.4381 32.0198 177.3152 62 A 3.9915 7.5798 120.4740 54.4304 18.8455 177.3166 63 N 4.5381 8.2712 115.1591 53.1312 39.2325 175.1355 64 D 4.3783 8.6796 129.7557 56.5633 39.5377 178.5689 65 K 4.0101 8.1382 119.4381 59.1078 32.0633 178.9483 66 L 4.0725 8.4419 120.7899 57.9822 41.9605 179.0368 67 R 3.9952 8.3660 119.0525 59.3913 30.1590 178.7501 68 G 3.6351 8.4144 105.8703 47.9890 0.0000 175.1856 69 H 4.2222 8.4115 120.6138 59.2407 29.8223 177.6166 70 S 4.0737 8.4786 117.3302 61.5701 62.4073 176.7913 71 I 3.7745 7.7805 121.6035 64.8252 37.3266 178.3441 72 T 4.1860 7.9570 116.4191 66.5171 68.3395 176.4349 73 L 3.8736 8.0948 122.4384 58.4351 42.0588 179.0224 74 M 4.2354 7.9293 118.4796 58.3021 31.8617 178.0422 75 Y 4.0217 7.9425 115.9567 60.0613 38.0959 177.7721 76 A 3.6323 7.5888 122.1130 54.7935 18.2465 179.6543 77 L 3.4641 7.3298 117.0329 57.5076 41.6280 179.2026 78 Q 3.5907 7.8317 119.6346 58.9554 28.7519 177.7685 79 N 4.2940 7.8014 116.7945 56.8618 39.4368 176.2724 80 F 4.6191 7.8339 118.8631 60.9995 38.9417 177.8069 81 I 3.5605 7.7062 119.2391 64.4853 36.6125 178.2582 82 D 4.4493 8.2042 118.4839 56.4284 40.9079 177.6703 83 Q 4.4719 7.6624 116.8306 55.6635 28.8101 177.0504 84 L 3.9203 7.3923 122.0059 57.8424 41.7700 177.7685 85 D 4.5709 7.8280 114.9032 54.7191 41.3816 176.1803 86 N 4.8404 8.0145 118.5829 49.7658 39.4960 172.2169 87 P 4.1836 0.0000 0.0000 65.5348 31.3069 177.6367 88 D 4.4913 8.2794 117.0794 57.5404 40.9166 178.3374 89 D 4.4007 8.2059 119.4268 56.9333 40.8009 178.5498 90 L 3.9591 8.0527 121.0084 58.1047 42.0182 179.1717 91 V 3.5511 8.1071 118.7402 66.2097 31.1931 177.8293 92 C 4.1618 7.9376 114.2015 61.1680 29.4484 176.1685 93 V 3.7534 7.7890 114.6286 63.9267 31.2562 178.6102 94 V 3.7855 8.1244 118.3676 66.1525 31.3400 178.0307 95 E 3.9799 8.5220 118.5239 58.8812 28.6856 179.2651 96 K 3.7995 7.6415 119.6219 59.6948 31.9074 179.0270 97 F 4.7222 8.4315 118.8537 59.6116 38.7814 177.6596 98 A 4.0092 8.2458 121.0681 55.1195 18.1614 179.7235 99 V 3.5987 7.8442 116.7816 66.3019 31.7494 177.9415 100 N 4.3789 7.9393 115.0961 56.4039 38.3531 176.6564 101 H 4.3569 7.9758 116.4962 57.8793 29.2912 177.6880 102 I 3.7651 8.2787 122.5634 64.5204 36.6944 178.5362 103 T 3.8939 7.8484 109.0564 64.2450 68.7047 175.1433 104 R 4.2854 7.1712 117.0131 55.3004 30.1116 176.1264 105 K 3.7997 7.7383 116.1767 57.5183 29.8095 175.8020 106 I 4.0427 7.6479 120.4135 60.0825 37.7267 177.1822 107 S 4.5011 8.7037 121.0778 57.4102 65.4533 175.0507 108 A 3.9900 8.4868 123.3822 55.2940 17.8602 179.7463 109 A 4.0224 7.9367 117.7622 55.4901 18.8690 179.2960 110 E 4.1446 8.2923 117.0245 59.4398 29.6485 179.3259 111 F 4.1895 8.6913 121.1029 61.0185 39.4684 177.0538 112 G 3.8942 8.1849 104.2119 46.5323 0.0000 175.3100 113 K 4.1828 8.0425 120.8071 58.6306 32.0552 178.4802 114 I 3.5291 7.5440 118.5290 63.1068 37.6998 177.2857 115 N 4.4798 8.2431 117.9785 56.2922 38.3060 177.2611 116 G 3.6524 7.6449 106.7494 47.5195 0.0000 173.9143 117 P 4.2225 0.0000 0.0000 65.0205 31.2594 178.7976 118 I 3.4882 7.7478 118.5687 64.1701 37.0221 178.3180 119 K 3.9127 8.1770 120.5091 59.4807 31.9764 179.0374 120 K 3.9806 8.0707 118.7693 59.4013 31.5052 179.5710 121 V 3.5419 7.9601 118.7839 65.8502 31.3294 178.0552 122 L 3.8578 8.1408 118.7763 57.8395 41.4221 179.3350 123 A 4.0268 8.1825 120.9087 55.1283 18.0737 179.7469 124 S 4.1521 7.9581 111.7242 60.4739 62.9513 175.8815 125 K 4.3879 7.0516 119.8979 55.4200 32.3519 175.6038 126 N 4.1153 8.0895 115.2710 54.2849 36.1966 174.0871 127 F 4.3849 8.2055 118.0653 56.0333 39.9422 177.2138 128 G 4.1024 8.6065 114.9997 44.2039 0.0000 172.1848 129 D 4.5027 8.9263 118.6792 57.5990 40.8728 178.6482 130 K 3.8437 8.1533 119.3985 59.9134 32.1687 178.3080 131 Y 4.1239 8.0831 116.1753 60.9012 37.9500 177.8899 132 A 4.2308 8.2312 121.8350 55.3114 18.5870 179.4552 133 N 4.3538 8.7256 115.2462 56.3186 38.4478 177.5174 134 A 3.9457 8.0008 121.9381 55.0607 18.4267 179.8159 135 W 3.8961 8.5043 117.2247 59.6487 29.1077 178.6868 136 A 4.4611 8.2040 122.2314 54.4861 17.5254 179.8528 137 K 3.9650 7.6560 116.2151 59.3212 32.3613 179.0567 138 L 3.9401 7.5845 120.7507 58.0708 42.0361 179.1263 139 V 3.8005 8.2026 118.1823 66.0244 31.5330 177.8388 140 A 4.5695 8.0645 121.7355 54.3057 17.8808 179.8117 141 V 3.4373 7.3635 116.6416 66.0955 31.8124 178.1174 142 V 3.5138 7.5123 117.5634 65.9368 31.4423 177.8703 143 Q 3.8473 8.0989 117.5787 58.6713 28.2839 178.4346 144 A 4.0865 7.6973 120.2418 53.8723 18.4750 178.3058 145 A 4.4056 7.6828 117.4539 51.9879 19.5866 177.0297 146 L 4.2138 7.5061 122.8046 54.6278 42.0123 176.3034 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 S 8.19 4.45 0.00 4.05 4.10 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 3 V 8.16 3.38 2.09 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 1.08 0.00 0.00 0.93 0.00 0.00 4 Y 8.82 3.99 0.00 3.07 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 5 D 8.19 4.26 0.00 2.92 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 6 A 7.60 3.91 1.28 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 0.00 0.00 7 A 8.12 3.88 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 8 A 7.98 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.58 4.10 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 10 L 7.01 3.78 0.00 1.58 1.52 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.19 4.31 4.19 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 1.20 0.00 0.00 12 A 8.35 3.93 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 D 7.95 4.28 0.00 2.65 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 14 V 7.43 3.49 2.11 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 0.89 0.00 0.00 0.85 0.00 0.00 15 K 8.28 3.84 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.59 7.81 16 K 8.10 3.93 0.00 1.94 2.02 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.58 7.81 17 D 8.10 4.55 0.00 2.78 2.55 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 18 L 8.00 3.73 0.00 1.61 1.24 0.54 -0.53 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 19 R 8.16 4.04 0.00 1.89 2.04 0.00 3.16 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 1.63 1.85 0.00 20 D 8.42 4.48 0.00 2.97 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 21 S 8.18 3.28 0.00 3.28 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 22 W 8.66 4.35 0.00 3.79 3.37 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 23 K 8.02 3.87 0.00 2.03 1.88 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.76 7.81 24 V 7.06 3.84 2.35 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 1.13 0.00 0.00 1.13 0.00 0.00 25 I 7.59 3.54 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.28 0.80 0.00 0.00 26 G 6.97 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.23 4.14 0.00 3.90 4.04 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 28 D 7.19 4.63 0.00 2.61 2.39 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 K 8.00 3.81 0.00 1.76 1.73 0.00 1.22 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.36 7.81 30 K 7.96 4.01 0.00 1.83 1.78 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 8.33 3.50 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 0.00 32 N 8.41 4.49 0.00 2.69 2.72 0.00 0.00 6.99 8.40 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 33 G 8.07 3.48 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 0.00 0.00 0.00 34 V 7.80 3.58 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 1.08 0.00 0.00 0.95 0.00 0.00 35 A 7.87 3.91 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 36 L 7.87 3.74 0.00 1.86 1.57 0.78 0.58 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 37 V 7.57 3.10 1.87 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 0.36 0.00 0.00 0.82 0.00 0.00 38 T 7.99 3.91 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 1.27 0.00 0.00 39 T 7.79 3.86 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 1.19 0.00 0.00 40 L 7.48 3.82 0.00 1.52 1.29 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.28 4.53 0.00 3.21 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 42 A 7.98 4.18 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 43 D 8.19 4.68 0.00 2.65 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 44 N 8.12 5.24 0.00 3.01 2.92 0.00 0.00 7.22 7.42 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 45 Q 8.17 4.23 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.74 0.00 46 E 8.29 4.16 0.00 2.16 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 2.45 2.37 0.00 47 T 8.22 4.56 4.79 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 1.44 0.00 0.00 48 I 7.76 3.64 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.70 0.00 0.00 49 G 8.07 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.73 4.40 0.00 2.90 2.49 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 51 F 8.23 4.92 0.00 3.11 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 52 K 8.21 3.97 0.00 1.93 2.08 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.45 7.81 53 R 8.01 3.96 0.00 1.82 2.06 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.07 4.23 0.00 1.84 1.76 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.70 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 56 D 8.39 4.51 0.00 2.71 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 57 V 7.98 3.88 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 0.72 0.00 0.00 0.42 0.00 0.00 58 S 8.37 4.35 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 59 Q 8.24 4.15 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.83 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 60 G 8.49 3.90 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 0.00 0.00 0.00 61 M 9.02 3.94 0.00 1.96 2.13 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 2.59 2.62 0.00 62 A 7.58 3.99 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 63 N 8.27 4.54 0.00 2.80 2.90 0.00 0.00 6.79 7.79 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 64 D 8.68 4.38 0.00 2.93 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 65 K 8.14 4.01 0.00 2.03 1.95 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.44 4.07 0.00 1.82 1.88 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.37 4.00 0.00 2.08 2.04 0.00 3.16 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.41 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.41 4.22 0.00 3.42 3.64 0.00 5.79 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 70 S 8.48 4.07 0.00 4.01 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 71 I 7.78 3.77 1.95 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 1.58 0.63 1.15 0.00 0.00 72 T 7.96 4.19 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 1.29 0.00 0.00 73 L 8.09 3.87 0.00 1.66 1.77 0.86 0.74 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 74 M 7.93 4.24 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 75 Y 7.94 4.02 0.00 3.24 3.07 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 76 A 7.59 3.63 0.26 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 77 L 7.33 3.46 0.00 1.45 1.09 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.83 3.59 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 79 N 7.80 4.29 0.00 2.99 2.96 0.00 0.00 7.29 6.38 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 80 F 7.83 4.62 0.00 3.05 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 81 I 7.71 3.56 1.61 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.11 0.84 0.00 0.00 82 D 8.20 4.45 0.00 2.83 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 83 Q 7.66 4.47 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 84 L 7.39 3.92 0.00 1.51 1.67 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.83 4.57 0.00 2.65 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 0.00 86 N 8.01 4.84 0.00 2.68 2.65 0.00 0.00 7.12 7.79 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 87 P 0.00 4.18 0.00 2.06 1.75 0.00 3.64 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 1.97 2.06 0.00 88 D 8.28 4.49 0.00 2.96 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 89 D 8.21 4.40 0.00 2.78 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 90 L 8.05 3.96 0.00 1.90 1.74 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.11 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 1.10 0.00 0.00 1.04 0.00 0.00 92 C 7.94 4.16 0.00 3.14 3.18 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 93 V 7.79 3.75 2.39 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 0.90 0.00 0.00 1.28 0.00 0.00 94 V 8.12 3.79 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 0.89 0.00 0.00 0.35 0.00 0.00 95 E 8.52 3.98 0.00 2.04 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 2.31 2.51 0.00 96 K 7.64 3.80 0.00 1.79 1.72 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.38 7.81 97 F 8.43 4.72 0.00 3.43 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 98 A 8.25 4.01 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 99 V 7.84 3.60 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 1.02 0.00 0.00 1.00 0.00 0.00 100 N 7.94 4.38 0.00 3.23 2.91 0.00 0.00 6.98 8.04 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 0.00 101 H 7.98 4.36 0.00 3.42 3.45 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.28 3.77 1.88 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 0.91 0.00 0.00 103 T 7.85 3.89 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 1.31 0.00 0.00 104 R 7.17 4.29 0.00 1.87 1.80 0.00 3.31 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 105 K 7.74 3.80 0.00 1.95 1.95 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.57 7.81 106 I 7.65 4.04 2.01 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 1.01 0.00 0.00 107 S 8.70 4.50 0.00 4.12 4.04 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 0.00 108 A 8.49 3.99 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 0.00 109 A 7.94 4.02 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 0.00 110 E 8.29 4.14 0.00 2.25 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 2.44 2.39 0.00 111 F 8.69 4.19 0.00 3.19 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 0.00 112 G 8.18 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 0.00 0.00 0.00 113 K 8.04 4.18 0.00 1.97 1.89 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.56 7.81 114 I 7.54 3.53 1.55 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 0.78 0.00 0.00 115 N 8.24 4.48 0.00 2.94 2.89 0.00 0.00 6.70 7.87 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 0.00 116 G 7.64 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 0.00 117 P 0.00 4.22 0.00 2.05 2.12 0.00 3.68 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 2.01 2.11 0.00 118 I 7.75 3.49 1.94 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 1.16 0.69 0.58 0.00 0.00 119 K 8.18 3.91 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.07 3.98 0.00 1.95 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.59 7.81 121 V 7.96 3.54 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 0.90 0.00 0.00 0.88 0.00 0.00 122 L 8.14 3.86 0.00 1.96 1.98 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.18 4.03 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 0.00 124 S 7.96 4.15 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 0.00 125 K 7.05 4.39 0.00 1.92 1.88 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.62 7.81 126 N 8.09 4.12 0.00 2.56 2.75 0.00 0.00 6.82 7.13 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 0.00 127 F 8.21 4.38 0.00 3.12 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 0.00 128 G 8.61 4.10 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 0.00 0.00 0.00 129 D 8.93 4.50 0.00 2.75 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 0.00 130 K 8.15 3.84 0.00 1.75 1.64 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.19 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.38 7.81 131 Y 8.08 4.12 0.00 3.45 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 0.00 132 A 8.23 4.23 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 0.00 133 N 8.73 4.35 0.00 2.89 2.89 0.00 0.00 6.90 7.81 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 0.00 134 A 8.00 3.95 1.27 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 0.00 0.00 135 W 8.50 3.90 0.00 3.61 3.35 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 0.00 136 A 8.20 4.46 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 0.00 137 K 7.66 3.96 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.73 7.81 138 L 7.58 3.94 0.00 1.41 1.71 0.65 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.20 3.80 2.35 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 1.21 0.00 0.00 1.21 0.00 0.00 140 A 8.06 4.57 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 0.00 141 V 7.36 3.44 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 0.64 0.00 0.00 0.81 0.00 0.00 142 V 7.51 3.51 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 0.36 0.00 0.00 0.82 0.00 0.00 143 Q 8.10 3.85 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 144 A 7.70 4.09 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 0.00 145 A 7.68 4.41 1.23 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 0.00 0.00 146 L 7.51 4.21 0.00 1.57 1.51 0.56 0.77 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