NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0773 8.3393 109.7681 44.9671 0.0000 175.1496 3 S 3.8176 8.0699 119.4018 54.8124 66.3945 173.6240 4 L 3.1782 7.7174 125.1833 57.8566 41.9968 179.8366 5 A 4.1810 7.8695 119.1870 55.4219 18.6418 178.7412 6 E 4.0522 8.0203 117.1611 59.1182 29.7215 178.6653 7 W 4.2028 8.4930 128.6852 60.9321 30.8866 177.5830 8 Y 4.0764 8.5335 116.4801 61.0421 37.0477 178.4311 9 Q 4.1375 7.7899 117.4459 58.2508 28.8654 178.1701 10 R 4.0557 7.5831 118.0550 56.8245 30.3488 176.8469 11 I 3.7187 6.7117 120.7208 60.1931 37.4565 174.6217 12 P 4.3710 0.0000 0.0000 64.9804 31.7813 176.8804 13 T 4.7122 7.3878 107.8694 58.2448 73.2284 172.6006 14 P 4.1847 0.0000 0.0000 66.2102 31.3818 178.7536 15 D 4.3775 8.0233 116.9575 57.2842 40.7701 178.4232 16 D 4.3186 8.1238 119.6155 57.1086 40.7712 178.3220 17 L 3.9146 8.0631 121.0241 58.6054 41.9982 179.1506 18 T 3.8129 7.9427 115.4548 66.5327 68.3304 176.3223 19 R 3.8426 7.9515 120.5178 59.5974 30.0196 178.7475 20 V 3.2753 7.6861 117.7314 65.8212 31.5213 177.7059 21 E 3.9464 8.4098 118.7200 59.6601 29.2525 179.6187 22 S 4.1567 8.3918 115.4576 61.3471 62.6461 176.4555 23 L 4.0097 7.7966 122.0089 58.2855 41.9497 178.6911 24 F 4.7865 8.0837 116.1322 60.7208 39.1255 177.1890 25 A 4.3317 8.2872 120.2756 55.2543 18.1885 179.9582 26 N 4.6170 8.3794 111.7916 54.4345 38.0181 177.0437 *28 Q 4.1569 8.0822 121.8867 55.9709 30.8760 177.5502 29 A 4.0783 8.1706 119.8893 55.2228 18.5134 178.8256 30 Q 3.9073 7.9874 113.9201 58.0540 29.3183 176.6585 31 F 4.8732 7.4578 116.0370 54.4979 39.2960 173.3200 32 P 4.5772 0.0000 0.0000 64.3680 31.6863 178.7555 33 Q 4.1286 7.9873 116.1926 58.2609 29.0295 176.4038 34 L 4.3369 7.6183 119.3023 54.6998 42.3172 176.6512 35 K 4.5488 8.9593 122.6081 54.7700 34.6858 175.5419 36 L 4.5795 8.5941 126.6967 54.2143 42.3543 175.2632 37 E 4.6871 8.4853 125.7405 54.5381 32.9620 175.0624 38 F 4.9108 8.5887 123.5684 56.5492 41.3004 174.6954 39 K 4.0799 8.0150 125.3790 55.4708 35.8429 176.8060 40 W 3.4493 8.7215 121.3435 57.9707 26.6134 173.8694 41 N 4.0862 8.1508 109.7567 53.9599 37.1737 172.9526 42 Q 4.1471 6.7369 111.8591 53.2442 31.9495 172.1684 43 P 5.1693 0.0000 0.0000 61.5593 33.5318 174.9015 *45 F 5.3075 8.3784 117.9498 57.9648 40.3444 174.7932 46 T 5.0988 9.0127 112.8622 59.8741 72.6953 172.5178 47 D 4.7679 8.6214 121.7024 53.8891 43.8187 175.3673 48 H 4.1522 10.0236 122.7743 56.7046 27.5331 175.3124 49 G 3.8821 8.3957 103.7813 47.2032 0.0000 173.4845 50 T 4.6564 7.4674 113.5527 59.2825 69.9466 173.2056 51 F 4.5182 8.7222 128.4923 58.4003 40.0153 174.8147 52 I 3.9187 7.3961 127.1372 61.5752 39.6267 175.9441 *54 G 3.7162 7.9000 107.7329 46.0186 0.0000 171.7936 55 F 5.6426 8.4210 117.5956 56.0161 43.2983 174.5162 56 N 5.6648 9.2760 118.2523 51.9528 43.3955 172.3890 57 P 5.1233 0.0000 0.0000 62.2347 33.1514 174.8883 58 S 4.6695 8.6344 115.2808 56.1043 66.3330 173.8155 59 K 3.9652 8.7103 120.5384 59.0402 31.7856 177.3867 60 K 4.4086 7.7700 115.7310 57.1556 33.4056 175.4147 61 H 4.8584 7.6737 112.6247 54.0219 31.5625 171.6119 62 L 4.7923 8.4173 122.1657 54.1064 43.1398 175.3151 63 A 4.5552 9.3705 129.1904 50.8659 20.4786 175.8175 64 V 4.4179 8.4132 123.0703 61.3788 32.9371 174.7229 65 A 4.7156 8.3752 131.1961 50.6456 19.8638 176.2532 66 I 4.7340 8.0844 114.6384 58.7062 40.7720 174.8303 67 E 4.2926 8.4779 119.8765 55.3822 30.1939 176.4439 68 P 4.2518 0.0000 0.0000 65.9317 31.7578 177.9634 69 Q 4.1149 8.1875 118.6260 59.5699 29.3012 178.6065 70 T 4.3626 7.6463 110.2808 64.8391 68.1844 176.1349 *72 T 4.2637 8.0459 120.0523 63.7434 70.3121 176.3245 73 R 3.9352 8.2912 119.6269 58.7413 30.2308 177.5233 74 F 4.7236 7.9031 115.8862 56.2171 39.3592 177.3292 75 I 3.6727 7.2734 120.9999 64.3583 37.0036 176.2191 76 P 4.2694 0.0000 0.0000 65.7872 31.1725 178.7291 77 Q 4.1072 8.0635 116.3877 58.8016 28.7355 178.4747 78 I 3.9876 8.3023 121.3672 64.4995 37.1757 178.2451 79 D 4.3632 8.3940 119.8502 57.3136 40.4805 178.6822 80 K 3.9213 8.0231 118.6254 59.4909 32.2819 178.2961 81 A 4.1899 8.0607 119.4480 52.8013 18.3568 177.7900 82 G 3.6111 7.9417 105.1051 46.4837 0.0000 172.9296 83 Y 4.7989 7.3020 115.5652 55.6232 40.3097 175.9411 84 D 4.5664 8.5212 123.0092 54.4073 41.8173 175.4098 85 H 4.9809 7.7894 115.3745 54.1477 31.6977 172.6606 86 S 4.5272 8.3029 113.7594 56.7667 65.3284 173.3206 87 Q 4.5286 8.6761 125.0240 54.0650 31.0144 174.7657 88 I 4.6758 8.1651 115.6162 58.8578 40.6586 174.5577 89 I 4.1858 8.1760 122.3862 59.5804 38.8560 175.4109 90 R 4.1365 8.1226 124.2033 54.9393 30.5403 176.2192 91 F 4.4028 8.2663 122.8482 54.6543 39.3055 173.7210 92 P 4.2177 0.0000 0.0000 61.8957 31.8493 178.2104 93 W 4.5230 8.5596 122.1096 60.0588 29.1172 176.9091 94 H 4.6913 8.3558 110.9277 55.9217 28.6670 174.8495 95 K 4.6414 7.2737 119.2048 53.6030 34.6986 174.2513 96 P 4.2833 0.0000 0.0000 62.8290 31.7783 175.8896 97 L 4.4291 8.2642 123.6538 53.7299 42.5419 176.6679 98 D 4.6118 8.5905 126.4711 53.6610 40.7891 175.9484 99 E 4.0002 8.4829 127.0979 58.6642 29.6346 178.5629 100 Q 3.9682 8.1174 119.6938 58.9462 29.0689 177.8470 101 L 3.9770 8.2314 121.3641 58.2019 42.1628 178.9996 102 I 3.6765 7.5447 119.5040 64.5759 36.9827 177.5686 103 H 4.0273 8.7257 119.3237 59.7239 29.5809 176.8274 104 D 4.4468 8.5591 120.7078 57.3385 40.6173 178.8153 105 L 4.0412 8.2318 119.6333 57.8857 41.5969 179.7041 106 I 3.6635 7.9580 119.3986 64.3177 37.1006 178.3031 107 A 3.9490 8.2705 121.9883 55.3709 18.1511 179.0444 108 Y 4.0220 8.2817 118.1062 61.1778 38.8546 178.4713 109 T 3.7544 8.0499 116.6959 66.4487 68.3222 176.6787 110 I 3.5998 7.7868 121.1383 64.4509 37.3443 177.5450 111 D 4.3913 7.9759 118.5046 57.6349 40.8545 178.4196 112 Q 3.8705 7.6823 117.0135 58.1788 28.7931 177.9291 113 K 4.3018 7.7794 117.6955 55.9856 32.0592 178.0403 114 K 3.8099 7.4245 121.7665 59.1535 32.0153 176.9898 115 D 4.8142 7.5648 114.6116 53.7337 41.3062 176.1405 116 A 4.1659 7.9645 123.2312 52.5817 18.7014 178.4472 117 T 4.5715 8.4589 109.7810 61.3120 69.6410 173.6978 118 T 4.7859 7.4513 110.8331 59.6827 72.1071 173.8606 119 F 4.0511 9.0434 124.3730 60.6935 39.5800 175.3783 120 W 4.8838 7.8089 118.0960 54.4119 30.9803 175.7516 121 Q 4.1378 8.8490 122.4222 56.5495 29.1136 176.5899 122 R 4.4546 8.5670 122.7109 56.4699 30.6872 175.5210 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 G 8.34 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 0.00 0.00 0.00 3 S 8.07 3.82 0.00 3.89 3.83 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 4 L 7.72 3.18 0.00 1.40 1.55 0.64 0.95 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 5 A 7.87 4.18 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 6 E 8.02 4.05 0.00 2.10 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 0.00 2.38 2.36 0.00 7 W 8.49 4.20 0.00 3.62 3.33 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 8 Y 8.53 4.08 0.00 3.28 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 9 Q 7.79 4.14 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.99 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 10 R 7.58 4.06 0.00 1.49 1.77 0.00 3.22 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 11 I 6.71 3.72 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.16 0.82 0.00 0.00 12 P 0.00 4.37 0.00 2.14 2.13 0.00 3.62 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 2.07 2.01 0.00 13 T 7.39 4.71 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 14 P 0.00 4.18 0.00 2.16 2.13 0.00 3.58 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 2.10 2.17 0.00 15 D 8.02 4.38 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.32 0.00 2.83 2.67 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 17 L 8.06 3.91 0.00 1.71 1.84 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.94 3.81 4.39 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 1.20 0.00 0.00 19 R 7.95 3.84 0.00 1.88 2.12 0.00 3.10 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 1.60 1.64 0.00 20 V 7.69 3.28 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 0.46 0.00 0.00 0.90 0.00 0.00 21 E 8.41 3.95 0.00 2.12 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 2.22 2.43 0.00 22 S 8.39 4.16 0.00 3.83 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 23 L 7.80 4.01 0.00 1.68 1.75 1.05 0.78 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 24 F 8.08 4.79 0.00 3.16 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 25 A 8.29 4.33 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.62 0.00 2.98 2.89 0.00 0.00 7.04 7.73 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 *28 Q 8.08 4.16 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.75 0.00 29 A 8.17 4.08 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 30 Q 7.99 3.91 0.00 1.77 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.12 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 31 F 7.46 4.87 0.00 2.82 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 32 P 0.00 4.58 0.00 2.16 2.17 0.00 3.34 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 33 Q 7.99 4.13 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 34 L 7.62 4.34 0.00 1.38 1.39 0.07 0.74 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 35 K 8.96 4.55 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 36 L 8.59 4.58 0.00 1.65 1.56 -0.32 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.49 4.69 0.00 1.88 1.75 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 2.28 2.25 0.00 38 F 8.59 4.91 0.00 2.86 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 39 K 8.01 4.08 0.00 1.57 0.74 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.16 7.81 40 W 8.72 3.45 0.00 3.51 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 41 N 8.15 4.09 0.00 2.88 2.95 0.00 0.00 7.02 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 42 Q 6.74 4.15 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 43 P 0.00 5.17 0.00 1.46 1.40 0.00 3.21 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.56 0.00 *45 F 8.38 5.31 0.00 2.84 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 46 T 9.01 5.10 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 1.24 0.00 0.00 47 D 8.62 4.77 0.00 2.58 2.31 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 48 H 10.02 4.15 0.00 3.35 3.40 0.00 5.84 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 49 G 8.40 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 50 T 7.47 4.66 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 1.10 0.00 0.00 51 F 8.72 4.52 0.00 3.02 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 52 I 7.40 3.92 1.75 0.00 0.00 0.71 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 0.85 0.62 0.00 0.00 *54 G 7.90 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 55 F 8.42 5.64 0.00 2.90 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 56 N 9.28 5.66 0.00 2.81 2.83 0.00 0.00 6.73 8.11 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 57 P 0.00 5.12 0.00 1.88 1.75 0.00 3.69 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 0.00 58 S 8.63 4.67 0.00 3.81 3.75 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 59 K 8.71 3.97 0.00 1.71 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.45 7.81 60 K 7.77 4.41 0.00 1.79 1.88 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 61 H 7.67 4.86 0.00 3.27 3.40 0.00 5.25 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.42 4.79 0.00 1.72 1.68 1.24 1.14 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 63 A 9.37 4.56 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 64 V 8.41 4.42 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 0.69 0.00 0.00 1.08 0.00 0.00 65 A 8.38 4.72 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 66 I 8.08 4.73 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.78 0.00 0.00 67 E 8.48 4.29 0.00 2.07 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 2.71 2.41 0.00 68 P 0.00 4.25 0.00 2.01 2.10 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 69 Q 8.19 4.11 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.16 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 70 T 7.65 4.36 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 1.09 0.00 0.00 *72 T 8.05 4.26 4.48 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 1.23 0.00 0.00 73 R 8.29 3.94 0.00 2.11 2.09 0.00 2.90 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 74 F 7.90 4.72 0.00 3.26 3.05 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 0.00 0.00 0.00 75 I 7.27 3.67 1.88 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.98 0.00 0.00 76 P 0.00 4.27 0.00 2.14 2.11 0.00 3.51 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 2.09 2.18 0.00 77 Q 8.06 4.11 0.00 2.49 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 78 I 8.30 3.99 2.05 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 1.60 1.40 1.07 0.00 0.00 79 D 8.39 4.36 0.00 2.88 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 80 K 8.02 3.92 0.00 2.19 2.02 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.33 7.81 81 A 8.06 4.19 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.61 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 0.00 0.00 0.00 83 Y 7.30 4.80 0.00 2.98 2.82 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 0.00 0.00 0.00 84 D 8.52 4.57 0.00 2.63 2.45 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 0.00 0.00 0.00 0.00 85 H 7.79 4.98 0.00 3.12 3.19 0.00 5.68 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 86 S 8.30 4.53 0.00 3.73 3.68 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 87 Q 8.68 4.53 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 88 I 8.17 4.68 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.92 0.00 0.00 89 I 8.18 4.19 1.86 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 1.29 0.60 0.21 0.00 0.00 90 R 8.12 4.14 0.00 1.59 1.70 0.00 3.07 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 91 F 8.27 4.40 0.00 2.76 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 92 P 0.00 4.22 0.00 2.00 1.93 0.00 3.50 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 1.99 1.99 0.00 93 W 8.56 4.52 0.00 3.35 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 94 H 8.36 4.69 0.00 3.33 3.51 0.00 5.48 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 95 K 7.27 4.64 0.00 1.95 1.68 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.24 7.81 96 P 0.00 4.28 0.00 2.06 2.01 0.00 3.66 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 2.04 2.10 0.00 97 L 8.26 4.43 0.00 1.57 1.56 0.46 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.59 4.61 0.00 2.83 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 99 E 8.48 4.00 0.00 2.03 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 2.32 2.45 0.00 100 Q 8.12 3.97 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 101 L 8.23 3.98 0.00 2.02 1.96 0.94 1.17 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 0.00 102 I 7.54 3.68 1.90 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.29 0.84 0.00 0.00 103 H 8.73 4.03 0.00 3.25 3.54 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 0.00 104 D 8.56 4.45 0.00 2.88 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 0.00 105 L 8.23 4.04 0.00 1.90 1.77 1.02 1.07 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 0.00 106 I 7.96 3.66 1.95 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 1.45 0.82 0.87 0.00 0.00 107 A 8.27 3.95 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 0.00 108 Y 8.28 4.02 0.00 3.07 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 0.00 109 T 8.05 3.75 4.35 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 1.19 0.00 0.00 110 I 7.79 3.60 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.86 0.00 0.00 111 D 7.98 4.39 0.00 2.73 2.64 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 0.00 112 Q 7.68 3.87 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 113 K 7.78 4.30 0.00 1.67 1.72 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 114 K 7.42 3.81 0.00 1.77 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.47 7.81 115 D 7.56 4.81 0.00 2.66 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 0.00 116 A 7.96 4.17 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 0.00 117 T 8.46 4.57 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 1.26 0.00 0.00 118 T 7.45 4.79 4.36 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 1.27 0.00 0.00 119 F 9.04 4.05 0.00 2.80 2.88 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 0.00 120 W 7.81 4.88 0.00 3.39 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 0.00 121 Q 8.85 4.14 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 122 R 8.57 4.45 0.00 1.86 1.83 0.00 3.70 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.