NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6469 8.3649 119.5272 52.4010 41.8738 175.2436 2 W 4.2013 8.1631 120.8677 57.1417 29.5556 170.8309 3 V 4.2124 8.5883 116.9202 59.8491 33.2735 175.5441 4 I 3.9239 8.2098 124.9392 59.9816 38.5867 173.8535 5 P 4.4524 0.0000 0.0000 61.7871 31.8837 174.5388 6 P 4.6106 0.0000 0.0000 62.9766 32.0813 176.0579 7 I 4.3941 8.9268 123.7949 60.4286 39.5333 174.4995 8 N 5.4010 8.6190 120.9247 51.5883 41.4835 173.8111 9 L 4.9583 9.3626 124.3737 52.0887 44.9001 174.5967 10 P 5.1155 0.0000 0.0000 62.3130 32.3272 175.8060 11 E 4.2184 8.9074 120.2461 55.8523 31.5134 175.9021 12 N 4.8546 8.6638 113.7847 53.9485 36.8620 175.0798 13 S 4.2662 7.5096 111.1951 58.7786 62.9315 173.8739 14 R 4.4225 8.6617 124.9718 55.5726 31.0330 178.4649 15 G 2.3038 7.2438 107.5872 44.7007 0.0000 173.3308 16 P 4.1050 0.0000 0.0000 63.0550 31.4302 175.3694 17 F 5.0905 8.0724 116.8185 54.8074 41.8367 173.5907 18 P 4.6259 0.0000 0.0000 63.1550 32.2557 175.6064 19 Q 4.4293 9.2671 125.1817 53.8863 31.0506 174.2831 20 E 4.0356 8.7893 128.2199 56.6546 29.6148 175.2894 21 L 4.6813 9.2872 127.5732 55.4447 42.6834 176.7468 22 V 4.4686 7.1632 116.3510 60.4659 34.8067 171.9925 23 R 4.4508 8.5299 123.8348 56.2379 30.8717 175.8780 24 I 4.4362 8.6366 128.2390 59.2969 38.2204 174.8229 25 R 4.0898 8.1467 121.8776 53.7775 32.8779 174.8835 26 S 4.7317 9.1934 113.5304 56.3718 63.2648 174.8124 27 G 4.1018 9.0237 115.1560 48.2750 0.0000 175.0136 28 R 4.3278 8.0412 116.7547 58.0824 29.3811 178.0345 29 D 5.2949 8.6742 121.6577 55.4279 39.3783 178.1570 30 K 4.2453 7.7005 119.5679 58.7602 32.7021 177.0254 31 N 4.9429 7.4484 116.4121 51.6502 37.9032 174.1078 32 L 4.0738 7.6086 115.4754 55.1943 44.3418 172.8525 33 S 4.3245 9.0129 121.8032 59.0710 62.4168 173.0759 34 L 4.9640 8.2173 126.6232 52.7858 45.2307 175.7728 35 R 4.5924 8.4592 120.7824 54.8143 33.2243 173.6686 36 Y 5.9931 9.1639 124.0347 55.9088 40.7371 174.8866 37 S 5.1150 8.6119 115.8203 57.1156 67.1715 172.8499 38 V 5.2323 8.3937 112.8092 59.9952 35.2581 175.0276 39 T 4.7752 9.3399 112.9781 60.5612 72.8802 172.3565 40 G 4.1473 9.4917 108.5507 43.3209 0.0000 171.6960 41 P 4.5596 0.0000 0.0000 64.0359 31.5447 177.1521 42 G 4.8672 9.4072 111.7044 44.6301 0.0000 173.0843 43 A 4.9323 8.0761 120.4138 51.6737 22.0539 176.0268 44 D 5.2979 8.0863 112.9973 52.3710 41.1565 175.6812 45 Q 4.6942 7.8431 116.7596 53.6478 33.6268 172.4468 46 P 4.8105 0.0000 0.0000 62.8087 32.0747 174.1605 47 P 4.6200 0.0000 0.0000 62.7499 32.5555 175.5459 48 T 4.3139 8.6562 120.2240 63.7558 69.9969 175.3988 49 G 3.9037 8.8290 112.8797 46.4023 0.0000 174.5207 50 I 3.7985 7.1053 122.2382 61.6872 39.0612 175.5597 51 F 5.2933 8.3280 120.0636 55.4749 42.2283 174.4043 52 I 4.8070 8.7914 115.7049 59.0587 41.3457 173.9790 53 I 4.9570 8.1289 122.4017 58.9797 40.8804 174.2714 54 N 4.4496 9.2619 129.2739 53.1067 39.4463 173.8736 55 P 4.8965 0.0000 0.0000 64.4981 31.7983 178.0067 56 I 4.3197 7.7894 110.1936 62.0198 38.7062 177.0240 57 S 4.2659 8.3783 114.6261 58.7259 63.7301 175.2534 58 G 3.3950 8.5046 108.2062 44.9545 0.0000 172.1020 59 Q 4.3457 7.9213 122.1902 55.7106 30.0425 174.5770 60 L 5.0552 8.7923 129.6875 54.1732 44.0114 175.4647 61 S 5.3740 9.2229 121.2692 56.7671 67.7301 173.0107 62 V 4.3397 8.6106 121.4673 60.4041 33.2129 176.4386 63 T 4.5781 8.4470 113.1208 62.3214 70.3231 173.7858 64 K 2.8806 6.8316 119.8168 54.6023 35.3267 173.2151 65 P 4.4416 0.0000 0.0000 62.8926 32.2932 176.1050 66 L 4.5916 8.3634 121.5305 53.8886 44.8605 175.0571 67 D 4.9184 8.3496 118.9946 52.9653 43.1707 175.9917 68 R 4.1805 9.2291 124.3591 59.0151 29.6843 177.9884 69 E 4.1509 8.0177 117.1506 57.9535 29.8323 177.2607 70 L 4.4551 7.9554 117.5785 55.6771 43.0112 176.9365 71 I 4.3473 7.4543 117.8657 59.5959 39.9791 174.9050 72 A 4.4841 8.4546 127.0598 53.0565 20.2375 176.4021 73 R 5.0631 7.5361 114.0739 54.9066 33.4257 174.1788 74 F 4.8411 9.3879 123.6329 55.9548 42.9890 174.0668 75 H 5.2482 8.8881 118.1087 54.4080 31.8204 172.5308 76 L 5.0968 9.0146 123.0046 52.8352 45.9996 175.7548 77 R 5.1215 8.8629 117.7330 54.6486 34.1531 174.8411 78 A 5.1744 8.8410 124.9785 51.0654 21.7640 175.5736 79 H 5.3342 9.2970 115.6022 54.0683 33.9347 172.5287 80 A 5.0326 8.5362 121.3810 50.3550 22.2024 175.1969 81 V 4.9242 8.4869 122.0077 61.0676 35.7788 175.4434 82 D 5.1804 8.8982 126.1794 51.9931 41.1576 176.6603 83 I 3.7496 8.2920 118.1863 63.7845 37.7470 176.1056 84 N 4.7196 8.4647 114.8779 52.7395 38.7173 175.5397 85 G 3.9422 8.5019 107.2296 45.2243 0.0000 173.9694 86 N 4.4777 8.2847 118.5537 52.7901 39.0972 174.5638 87 Q 4.5486 8.5202 122.4308 56.0816 29.2264 176.8007 88 V 3.8963 8.7182 116.8700 62.5093 32.0755 175.4962 89 E 4.7314 7.4800 115.3855 55.1906 31.5115 175.0065 90 N 4.4756 8.6809 117.2764 52.7483 39.1311 173.4646 91 P 4.5424 0.0000 0.0000 62.9335 32.5839 175.1627 92 I 4.3461 8.2319 122.5103 59.8195 39.5246 174.6124 93 D 4.9940 8.6986 129.2007 54.3431 41.9609 175.7399 94 I 4.5678 9.0729 122.6042 59.5064 41.0956 174.3784 95 V 4.7350 8.4359 126.4656 61.0658 34.2811 173.9907 96 I 4.9258 8.7282 128.5904 59.7172 40.1155 174.0670 97 N 5.3034 9.0830 125.2982 51.7153 40.8145 174.3069 98 V 4.7166 8.6727 124.3813 61.5671 32.9514 175.7280 99 I 4.1980 8.9420 121.4281 61.0096 37.7207 175.4889 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 D 8.36 4.65 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.16 4.20 0.00 3.37 3.12 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 0.00 0.00 0.00 3 V 8.59 4.21 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 0.73 0.00 0.00 0.99 0.00 0.00 4 I 8.21 3.92 1.89 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 1.41 0.74 0.94 0.00 0.00 5 P 0.00 4.45 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.77 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 6 P 0.00 4.61 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 7 I 8.93 4.39 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.92 0.00 0.00 8 N 8.62 5.40 0.00 2.57 2.72 0.00 0.00 6.74 7.85 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 9 L 9.36 4.96 0.00 1.61 1.61 1.09 1.10 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 10 P 0.00 5.12 0.00 2.10 2.07 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 11 E 8.91 4.22 0.00 2.33 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 0.00 2.48 2.32 0.00 12 N 8.66 4.85 0.00 2.89 2.94 0.00 0.00 6.96 6.87 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 13 S 7.51 4.27 0.00 3.86 4.06 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 14 R 8.66 4.42 0.00 1.81 1.91 0.00 3.41 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 15 G 7.24 2.30 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 0.00 16 P 0.00 4.10 0.00 2.08 2.00 0.00 3.55 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 1.86 1.93 0.00 17 F 8.07 5.09 0.00 2.91 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 18 P 0.00 4.63 0.00 1.96 2.02 0.00 3.65 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 2.05 2.12 0.00 19 Q 9.27 4.43 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 20 E 8.79 4.04 0.00 2.01 1.85 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 2.29 2.19 0.00 21 L 9.29 4.68 0.00 1.66 1.68 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.16 4.47 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 0.59 0.00 0.00 0.90 0.00 0.00 23 R 8.53 4.45 0.00 1.93 1.82 0.00 3.14 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 24 I 8.64 4.44 1.73 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 1.22 0.60 0.82 0.00 0.00 25 R 8.15 4.09 0.00 1.98 1.62 0.00 3.18 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 26 S 9.19 4.73 0.00 4.09 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 27 G 9.02 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 28 R 8.04 4.33 0.00 2.07 2.22 0.00 2.99 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 29 D 8.67 5.29 0.00 2.86 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 30 K 7.70 4.25 0.00 1.98 2.01 0.00 1.55 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.82 1.46 7.81 31 N 7.45 4.94 0.00 2.85 2.89 0.00 0.00 6.79 7.08 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 32 L 7.61 4.07 0.00 1.68 1.76 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 S 9.01 4.32 0.00 3.85 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 34 L 8.22 4.96 0.00 1.24 1.01 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.46 4.59 0.00 1.84 1.62 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 36 Y 9.16 5.99 0.00 2.94 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 37 S 8.61 5.12 0.00 3.87 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 38 V 8.39 5.23 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 0.80 0.00 0.00 1.00 0.00 0.00 39 T 9.34 4.78 4.29 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 1.20 0.00 0.00 40 G 9.49 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 0.00 0.00 0.00 41 P 0.00 4.56 0.00 2.13 2.23 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 42 G 9.41 4.87 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 0.00 0.00 0.00 43 A 8.08 4.93 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 44 D 8.09 5.30 0.00 2.68 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 45 Q 7.84 4.69 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 46 P 0.00 4.81 0.00 1.95 2.04 0.00 3.70 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 2.05 2.13 0.00 47 P 0.00 4.62 0.00 2.21 2.24 0.00 3.79 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 2.38 2.15 0.00 48 T 8.66 4.31 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 49 G 8.83 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 50 I 7.11 3.80 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.91 1.03 0.00 0.00 51 F 8.33 5.29 0.00 2.86 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 52 I 8.79 4.81 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 1.11 0.98 0.92 0.00 0.00 53 I 8.13 4.96 1.92 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 1.27 1.09 1.04 0.00 0.00 54 N 9.26 4.45 0.00 2.81 2.71 0.00 0.00 6.81 7.26 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 55 P 0.00 4.90 0.00 2.25 2.13 0.00 3.95 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 56 I 7.79 4.32 1.91 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 1.41 0.90 0.94 0.00 0.00 57 S 8.38 4.27 0.00 4.01 4.06 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 58 G 8.50 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 0.00 0.00 0.00 59 Q 7.92 4.35 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 60 L 8.79 5.06 0.00 1.80 1.67 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.22 5.37 0.00 3.77 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 62 V 8.61 4.34 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 1.05 0.00 0.00 0.51 0.00 0.00 63 T 8.45 4.58 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 1.19 0.00 0.00 64 K 6.83 2.88 0.00 1.29 1.42 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.03 1.08 7.81 65 P 0.00 4.44 0.00 2.10 2.46 0.00 3.28 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 66 L 8.36 4.59 0.00 1.69 1.77 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.35 4.92 0.00 2.68 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 68 R 9.23 4.18 0.00 1.99 2.18 0.00 3.04 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.62 0.00 69 E 8.02 4.15 0.00 2.13 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 2.35 2.33 0.00 70 L 7.96 4.46 0.00 1.64 1.69 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.45 4.35 1.78 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 1.19 0.54 0.09 0.00 0.00 72 A 8.45 4.48 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 73 R 7.54 5.06 0.00 1.70 1.64 0.00 3.24 0.00 0.00 3.69 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.00 74 F 9.39 4.84 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 75 H 8.89 5.25 0.00 2.95 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.01 5.10 0.00 1.48 1.64 0.57 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.86 5.12 0.00 1.70 1.66 0.00 3.24 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 78 A 8.84 5.17 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 79 H 9.30 5.33 0.00 3.13 3.19 0.00 5.76 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 80 A 8.54 5.03 1.21 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 0.00 0.00 81 V 8.49 4.92 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 1.03 0.00 0.00 0.99 0.00 0.00 82 D 8.90 5.18 0.00 2.87 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 83 I 8.29 3.75 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 0.80 0.90 0.00 0.00 84 N 8.46 4.72 0.00 2.72 2.79 0.00 0.00 7.05 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 85 G 8.50 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 86 N 8.28 4.48 0.00 3.12 2.75 0.00 0.00 6.98 7.09 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 87 Q 8.52 4.55 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.04 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 88 V 8.72 3.90 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 0.67 0.00 0.00 0.96 0.00 0.00 89 E 7.48 4.73 0.00 2.04 1.90 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 2.15 2.29 0.00 90 N 8.68 4.48 0.00 2.75 2.81 0.00 0.00 6.94 8.02 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 91 P 0.00 4.54 0.00 1.91 1.78 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 92 I 8.23 4.35 1.89 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 1.24 1.49 0.91 0.00 0.00 93 D 8.70 4.99 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.07 4.57 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 1.08 0.98 0.81 0.00 0.00 95 V 8.44 4.73 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 1.00 0.00 0.00 0.99 0.00 0.00 96 I 8.73 4.93 1.82 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 1.04 0.37 0.93 0.00 0.00 97 N 9.08 5.30 0.00 2.81 2.74 0.00 0.00 6.13 7.64 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 98 V 8.67 4.72 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 0.90 0.00 0.00 1.28 0.00 0.00 99 I 8.94 4.20 1.89 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 1.16 0.83 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.