NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4805 8.3193 115.4207 58.2961 65.1897 174.0846 1 T 4.2950 7.8031 109.7517 61.3368 70.1192 172.6719 2 T 5.0225 7.7221 117.3294 60.3753 70.6558 173.7381 3 F 5.0917 8.4279 122.4124 55.5204 42.2698 172.7634 4 N 5.2227 8.7290 116.9722 52.0846 39.5287 175.2413 5 I 4.1912 8.6081 126.2466 61.6804 37.1035 176.2861 6 Q 4.3325 9.1258 126.4862 57.7544 29.7937 174.9942 7 D 4.5718 7.4666 114.6434 51.9303 42.1508 175.9998 8 G 3.6339 8.6182 104.8663 48.1243 0.0000 173.8676 9 P 4.3561 0.0000 0.0000 65.1078 31.3099 178.2766 10 D 4.3165 8.4701 116.9690 57.1819 41.1936 178.0302 11 F 4.1493 8.4345 121.3122 61.2190 39.3908 176.8513 12 Q 4.0144 8.4167 119.2403 59.3995 28.6632 177.6402 13 D 4.2573 8.1928 118.0262 57.1965 41.5371 177.7244 14 R 4.2006 8.3209 116.7704 57.0420 30.6141 176.8383 15 V 4.0767 7.1799 115.3595 64.0626 33.6278 177.0215 16 V 3.6037 7.4143 117.2790 65.8949 31.3358 177.2051 17 N 4.7586 7.7265 112.4384 52.0093 39.0217 175.3645 18 S 4.0887 7.0938 116.1903 58.9264 62.7287 173.9160 19 E 4.2797 8.7337 125.6215 57.0574 29.9077 175.9765 20 T 4.5926 7.3141 113.4722 59.0919 69.6839 172.0869 21 P 4.6180 0.0000 0.0000 63.1842 32.8874 175.2377 22 V 4.8203 8.5545 120.9004 61.3376 35.3153 174.3592 23 V 4.7714 8.6154 120.6279 59.6878 34.1581 174.7339 24 V 4.3756 9.1133 126.7372 61.2881 33.4145 174.0003 25 D 4.7245 8.9308 129.5735 52.8414 42.4470 175.1945 26 F 4.8244 9.2855 127.4664 56.9386 40.0996 174.9542 27 H 5.3178 8.8763 118.6175 53.8522 32.5989 171.9867 28 A 4.5293 7.7108 118.2935 50.2311 21.9109 177.4378 29 Q 3.8654 8.5055 118.6724 58.4333 28.9229 177.8603 30 W 4.4863 7.0441 112.0220 56.5918 28.9310 176.3191 31 C 4.6515 7.6568 121.4783 55.2824 40.2608 174.2432 32 G 3.5830 8.8449 114.8680 47.6472 0.0000 172.7369 33 P 4.3342 0.0000 0.0000 65.2642 31.1694 179.2631 34 C 4.2594 7.7705 114.9900 59.9828 39.8207 176.2052 35 K 3.7469 7.7190 119.2291 59.2004 31.3000 179.2632 36 I 3.9145 7.4635 119.6668 64.1745 37.3964 177.9636 37 L 4.0591 8.0907 121.2166 57.9864 41.9590 178.7526 38 G 3.7152 8.2396 106.0051 47.8522 0.0000 173.8590 39 P 4.2581 0.0000 0.0000 64.7011 31.3193 178.8618 40 R 3.8592 7.7015 117.0345 59.3297 29.9510 178.3895 41 L 3.9859 8.4198 120.6483 58.0218 42.0796 178.6086 42 E 3.9160 8.3323 118.7710 59.2071 29.4677 179.2645 43 K 3.9299 7.9034 119.4773 59.9705 32.1201 178.9132 44 M 4.1404 8.0216 117.5554 58.0947 32.0514 178.6580 45 V 3.7618 8.1514 118.8151 65.7933 31.7751 178.0007 46 A 4.0499 8.2191 120.8808 54.7002 18.0214 179.2704 47 K 4.1170 7.8472 115.6064 58.9579 32.6944 178.1121 48 Q 4.2550 8.1137 119.6185 54.9397 28.9699 175.1690 49 H 4.2168 9.0273 116.1254 57.0384 26.6391 174.9505 50 G 3.9193 8.1043 101.2369 46.6243 0.0000 175.8956 51 K 3.9219 7.7301 120.0615 57.7736 32.1130 177.4626 52 V 4.7735 7.2954 117.5323 60.4802 35.1376 173.9179 53 V 4.6602 8.4687 113.8644 59.8411 36.1189 174.0492 54 M 4.9127 9.0905 122.5638 53.6774 34.8552 174.2035 55 A 4.0930 8.3846 128.1517 49.8233 21.3080 175.4810 56 K 4.5141 8.6907 123.2866 56.0811 34.1278 176.6649 57 V 4.2337 8.4021 124.1330 60.6192 34.4445 174.3245 58 D 4.4019 8.5354 128.7253 53.9206 41.3727 176.5114 59 I 3.8671 8.6016 128.6383 64.2307 37.7911 177.1330 60 D 4.6536 8.1867 117.8672 55.8499 40.8039 176.8768 61 D 4.7864 7.7061 117.1076 53.9142 42.7538 175.7201 62 H 5.0986 7.9372 114.2818 53.4594 30.1428 174.7510 63 T 3.9576 8.2156 119.3927 66.9431 68.5723 175.6107 64 D 4.3675 8.1454 120.2465 56.8292 39.2801 178.7526 65 L 4.0990 7.9494 119.9145 57.1278 41.6419 179.2199 66 A 3.9010 8.1413 120.5444 54.9253 18.1840 179.8544 67 I 3.5909 7.9755 118.4756 64.4786 37.0256 178.0287 68 E 3.7878 8.3915 119.0123 59.1585 29.4447 177.6738 69 Y 4.4258 7.7076 112.7735 56.5381 38.9690 175.2806 70 E 3.6375 7.6263 117.9069 57.3534 27.3447 175.0419 71 V 4.0318 8.0153 118.3599 61.4556 32.6030 175.1554 72 S 4.6392 8.4761 119.1705 57.6956 64.1583 173.1371 73 A 4.7595 7.5040 121.9686 51.4335 21.8260 175.7009 74 V 4.6704 8.0427 112.1070 58.5126 35.5775 174.1413 75 P 5.0070 0.0000 0.0000 62.7287 32.8528 175.1297 76 T 4.9405 8.4638 117.7572 61.7242 72.6270 172.6914 77 V 4.6188 8.0287 125.8085 60.9969 34.0577 173.9827 78 L 5.1197 8.5879 128.1892 53.1894 43.7114 175.3126 79 A 4.9711 9.0592 126.9506 51.1455 20.4216 175.8772 80 M 5.3329 9.6131 122.6253 53.5032 36.7013 175.0392 81 K 4.6959 8.6014 119.8847 55.2219 35.9762 176.4465 82 N 4.7682 9.5364 121.9996 53.1108 36.2408 175.5373 83 G 4.0714 8.4676 104.8067 45.5809 0.0000 173.8849 84 D 4.8903 7.7651 120.0826 52.8045 42.1990 175.8719 85 V 4.3374 8.4314 123.3277 62.8513 32.1771 175.8226 86 V 4.3541 8.5180 120.1298 62.1404 33.5843 174.9279 87 D 4.8461 7.5541 118.4152 53.4451 44.7402 173.5903 88 K 5.0861 8.6970 118.6434 56.7453 34.7912 173.9162 89 F 5.0185 8.1914 115.1175 55.8777 41.4821 173.0663 90 V 4.5945 8.5595 119.2237 62.4683 34.3187 176.6292 91 G 3.8823 8.6708 114.1523 44.6264 0.0000 173.0273 92 I 4.1632 7.9944 118.6234 60.7729 37.9659 175.6525 93 K 4.5741 8.0096 121.9579 53.8689 35.6059 176.5700 94 D 4.6316 8.5683 122.3387 52.6816 41.6697 177.5130 95 E 3.9338 8.5738 119.1580 59.6905 29.4155 179.3491 96 D 4.3438 8.0595 118.2302 57.6082 40.9660 178.7234 97 Q 3.9914 8.4797 118.4934 58.9265 28.5608 179.0594 98 L 3.9681 7.8961 120.0048 57.6872 41.6545 178.9517 99 E 3.9191 8.6174 119.5219 59.3325 29.4358 178.8112 100 A 4.0193 8.1442 120.7824 55.0031 18.4232 179.3751 101 F 4.0799 8.4605 119.2416 61.5280 39.6073 177.4463 102 L 4.0512 8.4519 118.9032 57.7424 41.5335 179.6813 103 K 4.0167 8.4512 119.0014 58.9406 31.7470 179.2517 104 K 3.8155 8.1046 119.6875 59.3929 32.1772 178.2033 105 L 3.9401 7.3562 118.9556 58.3608 42.0982 178.7717 106 I 3.8090 7.4188 118.1798 62.3369 37.0772 176.3849 107 G 4.1324 7.8426 112.1953 45.9080 0.0000 173.0945 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 0 S 8.32 4.48 0.00 4.02 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 1 T 7.80 4.29 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 1.25 0.00 0.00 2 T 7.72 5.02 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 1.24 0.00 0.00 3 F 8.43 5.09 0.00 3.00 2.98 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 4 N 8.73 5.22 0.00 2.68 2.83 0.00 0.00 6.96 7.45 0.00 0.00 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 I 8.61 4.19 1.78 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 1.00 0.00 0.00 6 Q 9.13 4.33 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 7 D 7.47 4.57 0.00 2.89 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 8 G 8.62 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 9 P 0.00 4.36 0.00 2.20 2.16 0.00 3.86 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 2.15 2.19 0.00 10 D 8.47 4.32 0.00 3.03 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 11 F 8.43 4.15 0.00 3.21 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 12 Q 8.42 4.01 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 13 D 8.19 4.26 0.00 2.74 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 14 R 8.32 4.20 0.00 1.87 1.80 0.00 3.20 0.00 0.00 2.94 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.42 0.00 15 V 7.18 4.08 0.93 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 0.65 0.00 0.00 0.76 0.00 0.00 16 V 7.41 3.60 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 1.01 0.00 0.00 0.99 0.00 0.00 17 N 7.73 4.76 0.00 3.01 2.81 0.00 0.00 7.02 7.48 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 18 S 7.09 4.09 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.73 4.28 0.00 1.99 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 2.27 2.27 0.00 20 T 7.31 4.59 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 1.23 0.00 0.00 21 P 0.00 4.62 0.00 2.09 1.93 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 22 V 8.55 4.82 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 0.95 0.00 0.00 0.99 0.00 0.00 23 V 8.62 4.77 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 0.89 0.00 0.00 1.01 0.00 0.00 24 V 9.11 4.38 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 0.68 0.00 0.00 0.89 0.00 0.00 25 D 8.93 4.72 0.00 2.69 2.41 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 26 F 9.29 4.82 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 27 H 8.88 5.32 0.00 3.11 3.28 0.00 5.44 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 28 A 7.71 4.53 -0.19 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 29 Q 8.51 3.87 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 30 W 7.04 4.49 0.00 3.55 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 31 C 7.66 4.65 0.00 2.30 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 32 G 8.84 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 33 P 0.00 4.33 0.00 2.18 2.14 0.00 3.65 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 2.15 2.21 0.00 34 C 7.77 4.26 0.00 3.20 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 35 K 7.72 3.75 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 36 I 7.46 3.91 2.01 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 1.52 1.31 0.90 0.00 0.00 37 L 8.09 4.06 0.00 1.79 1.66 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.24 3.72 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 0.00 0.00 0.00 39 P 0.00 4.26 0.00 2.15 2.09 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 40 R 7.70 3.86 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 41 L 8.42 3.99 0.00 1.95 1.63 0.91 1.03 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 42 E 8.33 3.92 0.00 2.19 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 2.29 2.36 0.00 43 K 7.90 3.93 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 44 M 8.02 4.14 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 45 V 8.15 3.76 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 1.12 0.00 0.00 0.99 0.00 0.00 46 A 8.22 4.05 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 47 K 7.85 4.12 0.00 1.94 1.95 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.45 7.81 48 Q 8.11 4.26 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.25 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 49 H 9.03 4.22 0.00 3.29 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.10 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 0.00 0.00 0.00 51 K 7.73 3.92 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 52 V 7.30 4.77 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 0.74 0.00 0.00 0.98 0.00 0.00 53 V 8.47 4.66 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 0.78 0.00 0.00 1.05 0.00 0.00 54 M 9.09 4.91 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 55 A 8.38 4.09 0.93 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 56 K 8.69 4.51 0.00 1.80 1.67 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.21 7.81 57 V 8.40 4.23 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 0.00 0.00 0.62 0.00 0.00 0.51 0.00 0.00 58 D 8.54 4.40 0.00 2.64 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 59 I 8.60 3.87 1.98 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 1.65 1.38 1.00 0.00 0.00 60 D 8.19 4.65 0.00 2.94 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 61 D 7.71 4.79 0.00 2.63 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 62 H 7.94 5.10 0.00 3.30 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.22 3.96 4.26 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 1.23 0.00 0.00 64 D 8.15 4.37 0.00 2.85 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 65 L 7.95 4.10 0.00 2.01 1.95 0.39 0.49 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 66 A 8.14 3.90 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 67 I 7.98 3.59 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.88 0.00 0.00 68 E 8.39 3.79 0.00 1.82 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 1.47 2.00 0.00 69 Y 7.71 4.43 0.00 3.03 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 70 E 7.63 3.64 0.00 2.06 1.99 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 2.21 2.19 0.00 71 V 8.02 4.03 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 0.45 0.00 0.00 -0.04 0.00 0.00 72 S 8.48 4.64 0.00 3.95 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 73 A 7.50 4.76 1.25 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 0.00 0.00 0.00 74 V 8.04 4.67 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 0.83 0.00 0.00 0.69 0.00 0.00 75 P 0.00 5.01 0.00 2.11 2.16 0.00 3.83 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 2.24 1.86 0.00 76 T 8.46 4.94 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 1.05 0.00 0.00 77 V 8.03 4.62 0.67 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 0.78 0.00 0.00 0.58 0.00 0.00 78 L 8.59 5.12 0.00 1.67 1.55 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.06 4.97 1.25 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 0.00 0.00 0.00 80 M 9.61 5.33 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 81 K 8.60 4.70 0.00 1.66 1.66 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 82 N 9.54 4.77 0.00 2.84 2.88 0.00 0.00 7.36 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 83 G 8.47 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 84 D 7.77 4.89 0.00 2.81 2.65 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 85 V 8.43 4.34 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 0.90 0.00 0.00 1.10 0.00 0.00 86 V 8.52 4.35 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 0.70 0.00 0.00 0.93 0.00 0.00 87 D 7.55 4.85 0.00 2.57 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 88 K 8.70 5.09 0.00 1.83 1.77 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.41 7.81 89 F 8.19 5.02 0.00 3.02 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 90 V 8.56 4.59 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 0.88 0.00 0.00 0.92 0.00 0.00 91 G 8.67 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 0.00 0.00 0.00 92 I 7.99 4.16 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.89 0.00 0.00 93 K 8.01 4.57 0.00 1.18 1.27 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.47 0.21 7.81 94 D 8.57 4.63 0.00 2.93 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 95 E 8.57 3.93 0.00 2.01 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 2.38 2.39 0.00 96 D 8.06 4.34 0.00 2.80 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 97 Q 8.48 3.99 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 98 L 7.90 3.97 0.00 1.83 1.73 0.90 0.56 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 99 E 8.62 3.92 0.00 2.01 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 2.31 2.34 0.00 100 A 8.14 4.02 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 0.00 101 F 8.46 4.08 0.00 3.23 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 0.00 102 L 8.45 4.05 0.00 1.91 1.73 1.00 1.15 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 0.00 103 K 8.45 4.02 0.00 1.97 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 104 K 8.10 3.82 0.00 1.83 1.84 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 105 L 7.36 3.94 0.00 1.40 1.71 0.82 1.13 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 0.00 106 I 7.42 3.81 1.84 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 1.44 0.73 0.90 0.00 0.00 107 G 7.84 4.13 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 0.00