NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4799 8.1749 117.3745 63.5708 70.0736 173.1295 2 S 4.5601 9.4684 120.9317 55.2749 66.6497 171.6160 3 I 5.2658 8.1838 117.9894 59.7338 41.2099 173.8132 4 M 4.8770 8.7893 119.3358 54.5157 34.9148 173.1640 5 A 5.1624 8.4170 120.6128 50.3139 22.4932 175.6223 6 V 4.5078 8.9993 122.0849 61.1901 34.6385 175.1000 7 T 4.7443 8.7495 118.3299 61.3419 70.0624 173.5627 8 F 4.9067 8.7230 117.4585 55.3152 41.2509 174.7438 9 K 3.7278 9.0512 121.1391 60.0242 31.5522 176.8970 10 D 4.5911 7.8587 114.1892 53.7120 42.7469 175.6819 11 G 4.2699 5.3800 112.9194 44.4813 0.0000 176.3523 12 V 5.0653 7.9621 118.2248 60.5066 33.8214 172.4212 13 I 4.6702 8.8348 122.4199 59.6214 40.6200 174.3518 14 L 5.1463 8.5687 125.6799 53.1880 44.0045 175.9389 15 G 4.3375 8.9951 108.6103 45.0719 0.0000 171.0584 16 A 5.1141 8.0659 119.7561 51.0241 21.9920 176.0117 17 D 4.7711 8.6242 120.7120 52.3591 41.7068 176.0236 18 S 4.9506 8.3136 110.6366 57.1602 64.0919 172.9949 19 R 5.0638 8.6188 121.1786 55.8265 31.7134 175.2118 20 T 4.7753 8.8158 116.2669 60.0756 71.4870 173.0858 21 T 5.0691 8.6390 115.3790 60.1452 71.9920 174.5307 22 T 4.5455 8.5921 111.9553 60.1670 70.0218 174.8528 23 G 4.1311 8.2496 122.6899 46.9666 0.0000 172.7159 24 A 4.4604 8.6426 127.2512 51.8574 19.6468 176.5680 25 Y 4.3939 7.6255 118.1380 56.5843 39.6287 174.7978 26 I 4.1041 7.2230 127.6221 59.7906 36.5318 175.4371 27 A 4.0947 8.2728 130.0814 54.4009 18.6985 177.7128 28 N 4.8683 7.9794 113.8440 52.2626 41.8624 174.5834 29 R 4.5986 8.6175 120.4861 56.2443 30.3697 176.1744 30 V 4.6058 8.0627 112.4775 61.4829 32.3270 176.2969 31 T 4.0175 8.3673 116.8088 63.8603 69.9089 173.9346 32 D 4.9891 8.6153 124.5484 52.7712 42.0133 175.5847 33 K 4.3771 8.6474 123.9399 56.6399 33.5881 176.0994 34 L 4.9329 8.0805 121.2527 53.7962 42.6012 176.0586 35 T 4.5947 8.8785 121.2637 61.4812 71.7614 173.7255 36 R 3.0951 7.7917 125.9257 55.1546 30.2870 176.2113 37 V 4.1819 7.8587 117.5047 61.8665 33.7208 174.7593 38 H 4.5780 7.7017 117.2884 54.9455 32.5744 173.6831 39 D 4.5491 8.3825 123.1937 57.1201 40.7368 179.5477 40 K 5.0473 8.0501 117.3473 55.9040 33.6206 176.2810 41 I 5.0898 8.5431 121.2859 60.0810 41.2164 174.9932 42 W 5.2834 9.8843 127.1651 54.9077 33.4857 174.0990 43 C 5.2911 9.3594 114.3781 57.2767 33.2276 172.6099 44 C 5.2826 9.2502 117.8760 58.2115 30.2913 173.0577 45 R 5.1240 8.4928 122.9180 54.5710 31.8388 175.8027 46 S 4.6002 8.8907 116.4334 56.5861 66.9343 174.0613 47 G 4.1307 9.0228 105.9699 44.4521 0.0000 175.7096 48 S 4.3124 9.6784 120.6592 57.3396 63.1298 174.6384 49 A 3.9895 8.7968 129.4966 55.2004 18.2834 179.5402 50 A 3.9599 7.9323 118.8128 55.4001 18.5261 179.4775 51 D 4.3139 8.4866 118.0096 57.8060 40.8919 179.1814 52 T 4.0445 8.1289 110.3532 64.7723 68.6421 176.6185 53 Q 3.9612 8.2760 120.6094 58.7656 28.9051 178.4456 54 A 4.0048 8.0006 121.7025 55.2224 18.3159 179.6125 55 I 3.5872 8.2627 118.3632 64.4732 37.2656 178.2014 56 A 4.0105 8.3856 121.7637 55.6676 18.3678 179.2466 57 D 4.3828 8.4634 117.4609 57.8105 40.7935 179.4174 58 I 3.8264 7.6325 119.9597 64.1149 37.0599 178.6048 59 V 3.3777 7.9154 119.5265 65.9489 31.2832 177.6654 60 Q 4.1699 8.3296 121.0051 58.6960 28.8063 177.8201 61 Y 4.0493 7.8918 119.9194 61.1579 38.8343 177.8220 62 H 3.8134 8.3932 117.1637 58.8669 28.7321 177.8465 63 L 4.0127 8.3188 120.9901 57.2555 41.3950 179.1756 64 E 3.9017 8.1935 119.7890 59.1280 29.4677 178.5926 65 L 3.7992 7.6403 120.4840 57.9586 41.9872 178.1801 66 Y 3.8386 8.1015 119.6550 60.9950 38.5342 178.2781 67 T 4.6395 7.9137 116.7043 66.4985 68.6802 176.5153 68 S 4.1555 7.7624 115.5978 61.0719 62.7940 176.0005 69 Q 4.0575 7.0135 119.0926 56.7648 29.3068 176.1479 70 Y 4.4901 7.5030 115.1644 57.6725 39.4171 175.3479 *72 G 4.0760 7.5502 108.9787 45.3351 0.0000 172.1664 73 T 4.2831 8.5387 115.6454 63.3892 68.7311 172.6026 74 P 4.4770 0.0000 0.0000 61.9126 32.8113 176.6828 75 S 4.4196 8.1017 115.0429 58.3236 64.8955 175.4787 76 T 3.9170 8.2771 119.0816 66.6265 68.1740 176.5661 77 E 3.9809 8.1094 120.9359 59.6410 29.7738 178.9110 78 T 3.8235 7.8300 115.5887 66.3775 68.4162 176.6067 79 A 3.9466 7.8896 122.1541 55.1513 18.4963 179.6044 80 A 4.1953 8.2585 119.0452 55.0175 18.2754 179.7563 81 S 4.1234 7.8539 111.8083 61.2462 62.4651 176.4917 82 V 3.5260 7.6173 120.6936 65.7503 31.1712 178.0140 83 F 3.9720 8.1840 117.5932 60.3787 38.8199 177.2686 84 K 3.9176 8.2523 119.1694 59.6548 31.9547 177.9476 85 E 3.9850 8.4157 119.5338 59.5960 29.0581 178.8960 86 L 4.0305 7.8794 118.5897 58.1675 41.4820 179.4261 87 C 4.3256 8.3619 115.8823 62.5509 28.1995 175.2696 88 Y 4.2931 8.6210 121.7276 60.6239 38.3671 177.1688 89 E 3.9254 8.2658 118.4751 58.0051 29.4420 176.7714 90 N 5.0163 7.6014 114.9727 52.5211 39.5000 176.3342 91 K 3.6405 7.5865 121.0388 60.1752 32.6851 177.9785 92 D 4.2879 7.9294 118.7790 57.0757 40.9492 177.4306 *94 N 5.1331 7.8941 113.4444 52.5047 40.1157 173.6818 95 L 5.0917 7.4395 117.1634 53.3925 45.1707 176.8589 96 T 4.6765 8.7478 117.3706 61.4751 70.1822 171.2940 97 A 4.9855 8.3578 125.0339 49.9642 22.6686 175.2712 98 G 4.0786 9.2668 110.9188 43.8913 0.0000 172.0131 99 I 5.0554 8.2979 126.8184 58.9921 40.3589 175.2458 100 I 4.3415 8.3814 127.1607 59.5269 39.4230 174.5734 101 V 4.6260 8.2817 126.9106 61.1921 33.1708 174.7445 102 A 4.7940 9.3245 129.3414 50.3436 22.2719 175.0052 103 G 4.5822 8.7051 107.7477 44.7016 0.0000 171.0218 104 Y 4.7380 8.9430 122.5038 55.4352 40.6814 175.2598 105 D 4.2276 7.7136 124.7759 54.1866 41.5659 175.2081 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 T 8.17 4.48 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 1.26 0.00 0.00 2 S 9.47 4.56 0.00 3.70 3.70 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 3 I 8.18 5.27 1.88 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 0.65 0.92 0.00 0.00 4 M 8.79 4.88 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.42 5.16 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 6 V 9.00 4.51 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 1.12 0.00 0.00 0.93 0.00 0.00 7 T 8.75 4.74 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 1.24 0.00 0.00 8 F 8.72 4.91 0.00 3.27 3.13 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 9 K 9.05 3.73 0.00 1.81 2.06 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 D 7.86 4.59 0.00 2.50 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 11 G 5.38 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 0.00 0.00 0.00 0.00 12 V 7.96 5.07 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 0.80 0.00 0.00 1.04 0.00 0.00 13 I 8.83 4.67 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.83 0.00 0.00 14 L 8.57 5.15 0.00 1.44 1.58 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.00 4.34 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 0.00 16 A 8.07 5.11 1.19 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 17 D 8.62 4.77 0.00 2.71 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 18 S 8.31 4.95 0.00 3.96 4.05 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 19 R 8.62 5.06 0.00 1.79 2.05 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 20 T 8.82 4.78 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 21 T 8.64 5.07 4.46 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 1.18 0.00 0.00 22 T 8.59 4.55 4.32 0.00 0.00 0.00 0.00 0.00 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 23 G 8.25 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 24 A 8.64 4.46 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.39 0.00 3.04 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 26 I 7.22 4.10 1.52 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 0.79 0.00 0.00 27 A 8.27 4.09 1.37 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 0.00 0.00 28 N 7.98 4.87 0.00 2.76 2.59 0.00 0.00 6.82 7.53 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 29 R 8.62 4.60 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 8.06 4.61 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.37 4.02 4.23 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 1.23 0.00 0.00 32 D 8.62 4.99 0.00 2.70 2.63 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 33 K 8.65 4.38 0.00 1.79 1.99 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.08 4.93 0.00 1.89 1.87 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.88 4.59 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 1.16 0.00 0.00 36 R 7.79 3.10 0.00 0.67 1.12 0.00 3.09 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 37 V 7.86 4.18 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 0.96 0.00 0.00 1.10 0.00 0.00 38 H 7.70 4.58 0.00 3.14 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.38 4.55 0.00 2.68 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 40 K 8.05 5.05 0.00 1.83 1.97 0.00 1.81 0.00 0.00 2.13 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.57 7.81 41 I 8.54 5.09 1.99 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 1.32 0.99 1.03 0.00 0.00 42 W 9.88 5.28 0.00 3.19 3.25 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 43 C 9.36 5.29 0.00 2.76 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 44 C 9.25 5.28 0.00 2.81 2.86 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 45 R 8.49 5.12 0.00 1.74 1.86 0.00 3.18 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.89 4.60 0.00 3.87 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 47 G 9.02 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 48 S 9.68 4.31 0.00 3.84 3.98 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 49 A 8.80 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 50 A 7.93 3.96 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 51 D 8.49 4.31 0.00 2.70 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 52 T 8.13 4.04 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 1.30 0.00 0.00 53 Q 8.28 3.96 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.00 4.00 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 55 I 8.26 3.59 2.15 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 1.76 1.07 1.04 0.00 0.00 56 A 8.39 4.01 1.49 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 0.00 0.00 57 D 8.46 4.38 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 58 I 7.63 3.83 1.99 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 1.36 0.84 1.01 0.00 0.00 59 V 7.92 3.38 1.71 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 0.61 0.00 0.00 -0.14 0.00 0.00 60 Q 8.33 4.17 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 61 Y 7.89 4.05 0.00 3.12 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 62 H 8.39 3.81 0.00 3.30 3.27 0.00 5.67 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 63 L 8.32 4.01 0.00 1.61 1.58 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.19 3.90 0.00 2.10 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 0.00 2.25 2.29 0.00 65 L 7.64 3.80 0.00 1.35 1.49 0.79 0.72 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 66 Y 8.10 3.84 0.00 3.29 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 67 T 7.91 4.64 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 S 7.76 4.16 0.00 3.85 3.82 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 69 Q 7.01 4.06 0.00 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 70 Y 7.50 4.49 0.00 2.39 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 *72 G 7.55 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 73 T 8.54 4.28 4.32 0.00 0.00 0.00 0.00 0.00 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 74 P 0.00 4.48 0.00 1.74 1.16 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 75 S 8.10 4.42 0.00 4.04 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 76 T 8.28 3.92 4.23 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 1.27 0.00 0.00 77 E 8.11 3.98 0.00 2.01 1.92 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 2.36 2.39 0.00 78 T 7.83 3.82 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 0.80 0.00 0.00 79 A 7.89 3.95 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 80 A 8.26 4.20 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 81 S 7.85 4.12 0.00 4.00 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 82 V 7.62 3.53 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 0.79 0.00 0.00 0.88 0.00 0.00 83 F 8.18 3.97 0.00 3.30 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 84 K 8.25 3.92 0.00 2.01 2.05 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.60 7.81 85 E 8.42 3.98 0.00 2.32 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 0.00 2.32 2.46 0.00 86 L 7.88 4.03 0.00 1.96 1.73 0.83 0.99 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 87 C 8.36 4.33 0.00 3.04 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 88 Y 8.62 4.29 0.00 2.96 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 89 E 8.27 3.93 0.00 2.36 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 2.37 2.40 0.00 90 N 7.60 5.02 0.00 2.96 2.73 0.00 0.00 6.55 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 91 K 7.59 3.64 0.00 1.80 2.10 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.37 1.34 7.81 92 D 7.93 4.29 0.00 2.73 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 *94 N 7.89 5.13 0.00 2.73 2.88 0.00 0.00 7.06 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 95 L 7.44 5.09 0.00 1.52 1.55 0.98 0.75 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 96 T 8.75 4.68 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 1.22 0.00 0.00 97 A 8.36 4.99 1.22 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 0.00 0.00 0.00 98 G 9.27 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 99 I 8.30 5.06 1.72 0.00 0.00 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 1.32 0.73 0.39 0.00 0.00 100 I 8.38 4.34 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 1.08 0.66 0.89 0.00 0.00 101 V 8.28 4.63 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 0.87 0.00 0.00 0.42 0.00 0.00 102 A 9.32 4.79 1.24 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 0.00 0.00 103 G 8.71 4.58 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 0.00 104 Y 8.94 4.74 0.00 2.98 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 0.00 105 D 7.71 4.23 0.00 2.45 2.21 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 * Residues marked with a * may have inaccurate shift predictions.