NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 D 4.6456 8.3493 119.5546 52.8722 42.1248 176.6351 4 S 4.3229 8.0833 116.0629 57.8546 65.2105 173.6387 5 R 4.0275 8.7275 122.0019 59.4064 30.2705 179.9678 6 Y 4.5573 7.9666 120.4135 60.5631 38.9463 177.9492 7 T 3.7112 8.0501 119.0431 67.1758 68.5579 177.2579 8 K 3.9686 8.1808 125.5129 59.7271 31.6785 180.6034 9 F 4.2460 8.4486 121.9389 61.1901 39.4980 177.2515 10 L 4.0094 7.9509 118.5501 58.0968 41.1613 179.5755 11 T 3.8394 7.6766 114.5448 66.7517 68.4901 176.1581 12 Q 4.0622 7.8503 118.0871 57.5439 29.2794 176.1674 13 H 4.6663 7.9094 113.3825 53.6967 31.6133 172.2780 14 H 5.4470 8.2701 118.8676 54.3703 31.9887 172.6896 15 D 4.4971 9.1147 124.7896 52.5527 43.5294 175.6545 16 A 4.4656 8.6176 129.3989 54.1921 18.7004 176.7943 17 K 5.0209 7.5086 115.0347 53.2813 32.6690 173.3580 18 P 4.5878 0.0000 0.0000 62.3091 32.0767 178.7118 19 K 4.1081 8.7587 122.8645 57.3182 32.1045 174.8960 20 G 4.1447 7.1962 103.3121 46.3761 0.0000 173.5418 21 R 4.1262 8.0119 117.4859 55.0294 31.2727 173.9688 22 D 5.1955 7.9060 118.3079 51.2126 42.8563 175.4578 23 D 4.4364 8.8298 117.4197 58.0294 40.6848 178.7920 24 R 3.9304 8.0327 118.6413 59.3555 30.0420 177.6059 25 Y 4.0120 8.3631 119.4637 60.9865 38.7487 177.5807 26 C 4.0501 8.3290 117.2623 60.0073 35.8110 176.0094 27 E 4.1052 8.4973 122.5688 60.0857 28.9980 180.3654 28 R 3.8894 7.9989 120.5863 61.7648 29.5389 180.6589 29 M 3.9201 7.8292 120.2420 58.1717 31.6568 178.8411 30 M 4.0251 7.9590 119.0486 58.0302 32.0292 178.7562 31 K 3.9074 7.7455 119.9120 59.6864 32.2341 179.1147 32 R 3.9455 7.8920 117.0776 58.8066 29.9786 178.2603 33 R 4.3032 7.7025 115.0368 54.9441 30.9186 176.0294 34 S 3.7373 7.9080 111.8451 60.0553 61.0038 171.5152 35 L 4.7721 8.2431 115.4585 54.9299 42.2902 178.2455 36 T 4.5753 8.1759 107.9507 62.0381 69.4514 175.2005 37 S 4.5315 7.6518 118.3683 55.9920 63.0690 175.8390 38 P 4.8442 0.0000 0.0000 61.0188 33.5427 176.8114 39 C 4.3550 8.6010 118.1422 57.1599 40.3144 174.2259 40 K 4.2203 8.8707 128.9534 57.2028 32.1838 177.2210 41 D 4.7163 9.0209 128.4332 56.6813 40.8591 174.2022 42 V 5.0560 7.5946 117.1555 61.2202 34.9466 173.8574 43 N 4.8945 9.1951 125.4821 52.8988 42.4086 172.8340 44 T 4.8034 8.7849 123.4681 61.9474 70.9925 173.4795 45 F 4.8566 8.9759 125.1370 56.0796 41.3035 174.7780 46 I 4.5887 8.7455 124.8110 60.3883 39.1022 175.3532 47 H 5.6365 8.6088 124.3029 54.5663 31.3868 174.8244 48 G 3.9376 8.8880 107.5569 44.7421 0.0000 172.7248 49 N 4.7795 8.4031 114.8985 52.0315 38.6814 176.2339 50 K 3.9911 8.7410 119.0113 59.8305 32.1176 179.6920 51 S 4.2007 8.1965 114.9475 61.8779 62.5525 176.4428 52 N 4.5435 8.8563 118.5672 56.1394 38.5749 177.4094 53 I 3.8956 7.4625 121.3905 64.3821 37.3077 178.4681 54 K 3.8909 8.3146 119.1112 59.4345 31.8652 179.0542 55 A 4.1428 8.1624 120.4923 54.5016 18.3426 179.5016 56 I 3.7712 7.7484 118.8194 64.6225 36.9222 177.2634 57 C 4.6086 8.1924 115.5366 57.7587 35.0029 174.5183 58 G 3.9029 8.2993 108.8227 45.5608 0.0000 176.5502 59 A 4.1729 8.8212 128.1955 53.7036 18.4691 177.8620 60 N 4.8908 8.1728 112.9161 52.6675 38.9169 174.0974 61 G 5.0807 8.0646 104.6012 43.4486 0.0000 172.4570 62 S 4.9517 8.7781 113.8736 55.2738 66.6739 171.8209 63 P 4.7033 0.0000 0.0000 63.4967 31.9605 175.0946 64 Y 4.4238 8.6918 124.7589 56.7417 41.4774 175.1574 65 R 3.4564 8.1752 126.8308 57.2544 29.0351 176.5419 66 E 4.1373 8.7662 117.9747 60.0328 29.7923 177.4935 67 N 4.9350 7.9262 111.1671 52.3430 38.7501 173.0771 68 L 4.9027 7.7521 119.1861 53.4209 45.6498 174.9617 69 R 4.9789 8.7299 119.0183 55.1897 33.7534 173.1833 70 M 4.7722 8.7983 126.2462 53.4001 34.4569 175.2517 71 S 4.7123 8.5973 121.2805 58.5979 63.4136 174.6795 72 K 4.3940 9.0288 122.2526 58.3730 32.4738 176.9153 73 S 4.7945 7.9270 112.5540 55.4542 66.1933 172.1735 74 P 4.3990 0.0000 0.0000 62.2666 32.0899 175.7632 75 F 4.9058 8.8069 119.4725 55.5087 43.4174 174.6310 76 Q 4.9251 9.0442 120.7659 56.4237 29.7661 175.7079 77 V 5.0339 9.1671 116.6401 59.9288 36.7482 174.7649 78 T 5.0869 8.9640 119.0802 62.3572 71.9826 173.0866 79 T 4.7555 9.0714 124.3338 62.5413 70.7030 173.1879 80 C 5.4072 9.3834 126.6455 55.7849 41.9468 173.5167 81 K 5.2879 9.1511 127.7493 53.3137 34.6222 171.6977 82 H 4.3528 9.5218 127.0996 55.3996 30.2834 174.5681 83 T 4.4328 8.3431 115.1224 60.7454 70.9530 173.2223 84 G 3.8522 8.7312 110.3155 44.1688 0.0000 175.7766 85 G 3.8464 7.7092 107.4932 46.1091 0.0000 174.2442 86 S 4.3830 7.5285 117.5646 57.0201 62.8594 179.0940 87 P 4.2723 0.0000 0.0000 63.5255 31.5041 176.2542 88 R 4.6339 7.0962 117.9133 53.8083 31.2111 174.6989 89 P 4.6028 0.0000 0.0000 61.5384 32.2438 174.3312 90 P 4.3216 0.0000 0.0000 62.8755 31.7559 176.8086 91 C 4.6695 8.6225 119.5611 55.6100 39.7949 173.2982 92 Q 4.8444 8.2612 123.8821 55.2000 30.3192 174.5082 93 Y 5.2162 8.7973 119.1360 56.4170 42.2710 174.7967 94 R 4.9657 9.1972 121.4862 54.5448 32.7733 175.1995 95 A 5.0531 9.1486 125.8029 51.0827 20.7780 177.0031 96 S 4.4936 9.1844 114.9251 56.6969 65.1219 172.5835 97 A 5.0665 8.4888 129.0272 51.0092 20.9252 175.8227 98 G 3.9579 8.3826 106.2673 45.9982 0.0000 171.8541 99 F 5.5496 8.9703 122.0549 56.5793 40.8138 174.4683 100 R 4.8017 8.8123 124.4504 54.3482 34.6932 174.8914 101 H 4.7679 9.0803 118.5422 56.1761 29.6806 175.1574 102 V 4.5108 8.6809 113.8688 59.4865 35.7146 174.6827 103 V 4.3778 7.3089 122.4616 60.9028 33.9809 174.3889 104 I 4.9104 8.3659 119.9664 59.0714 41.7623 173.5540 105 A 4.9645 8.7028 123.4635 50.3761 21.4045 175.1285 106 C 5.4377 8.7702 119.9888 55.8668 41.4416 174.2480 107 E 4.6234 8.6598 116.9317 55.5171 33.1943 175.5162 108 N 3.8781 9.8710 121.4020 53.8229 37.4316 174.8812 109 G 3.8959 8.4999 101.8349 44.9876 0.0000 173.8854 110 L 4.5438 7.3872 119.4046 51.3850 44.5984 174.2986 111 P 4.4416 0.0000 0.0000 62.9386 31.6240 177.1814 112 V 4.5252 8.4048 113.3968 61.0074 33.9755 175.0917 113 H 5.0601 7.8615 118.2334 54.7116 32.6987 171.2798 114 F 4.6044 8.4467 127.0341 56.3409 40.6260 175.6529 115 D 4.4725 7.5746 127.6842 53.1448 40.4074 176.5636 116 E 4.1698 8.5652 127.3893 58.8362 29.4721 178.7645 117 S 4.2639 7.9375 112.9016 60.6574 63.1950 175.8414 118 F 4.3205 7.6681 123.6577 61.0664 39.1338 175.7556 119 F 4.4760 7.7346 118.0641 59.7368 39.3756 176.4294 *120 S 4.2715 7.9455 121.4100 58.2046 62.7880 178.9267 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 *3 D 8.35 4.65 0.00 2.44 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 4 S 8.08 4.32 0.00 4.20 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 5 R 8.73 4.03 0.00 1.95 2.11 0.00 3.17 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 6 Y 7.97 4.56 0.00 3.01 3.02 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 0.00 0.00 0.00 0.00 7 T 8.05 3.71 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 1.19 0.00 0.00 8 K 8.18 3.97 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 9 F 8.45 4.25 0.00 3.25 3.32 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 10 L 7.95 4.01 0.00 1.74 1.66 0.51 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.68 3.84 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 1.18 0.00 0.00 12 Q 7.85 4.06 0.00 1.55 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.51 0.00 13 H 7.91 4.67 0.00 1.92 2.52 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.27 5.45 0.00 3.19 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.11 4.50 0.00 2.72 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 16 A 8.62 4.47 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 17 K 7.51 5.02 0.00 1.95 1.69 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 0.95 7.81 18 P 0.00 4.59 0.00 1.76 1.64 0.00 3.26 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 1.67 1.16 0.00 19 K 8.76 4.11 0.00 1.80 1.77 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.00 7.81 20 G 7.20 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 0.00 0.00 0.00 0.00 21 R 8.01 4.13 0.00 1.59 1.76 0.00 2.83 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.07 0.00 22 D 7.91 5.20 0.00 2.81 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 23 D 8.83 4.44 0.00 2.76 2.95 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 24 R 8.03 3.93 0.00 1.95 1.97 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 25 Y 8.36 4.01 0.00 3.10 3.28 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 26 C 8.33 4.05 0.00 3.31 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 27 E 8.50 4.11 0.00 2.19 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 0.00 2.70 2.62 0.00 28 R 8.00 3.89 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 29 M 7.83 3.92 0.00 0.98 1.30 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.69 0.00 30 M 7.96 4.03 0.00 1.80 1.84 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 1.11 2.40 0.00 31 K 7.75 3.91 0.00 1.85 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 32 R 7.89 3.95 0.00 2.07 1.90 0.00 3.32 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 33 R 7.70 4.30 0.00 1.81 1.94 0.00 3.60 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 34 S 7.91 3.74 0.00 3.99 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 35 L 8.24 4.77 0.00 1.73 1.55 0.77 0.55 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 36 T 8.18 4.58 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 1.32 0.00 0.00 37 S 7.65 4.53 0.00 3.58 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 38 P 0.00 4.84 0.00 2.06 2.09 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 39 C 8.60 4.36 0.00 2.61 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 40 K 8.87 4.22 0.00 1.87 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.41 7.81 41 D 9.02 4.72 0.00 2.41 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 5.06 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 1.05 0.00 0.00 1.01 0.00 0.00 43 N 9.20 4.89 0.00 2.67 2.29 0.00 0.00 6.86 6.80 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 44 T 8.78 4.80 3.02 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 0.00 0.00 0.00 1.14 0.00 0.00 45 F 8.98 4.86 0.00 3.02 2.95 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 46 I 8.75 4.59 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.96 0.00 0.00 47 H 8.61 5.64 0.00 3.14 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.89 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 49 N 8.40 4.78 0.00 3.05 3.03 0.00 0.00 5.98 7.20 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 50 K 8.74 3.99 0.00 1.90 2.00 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.62 7.81 51 S 8.20 4.20 0.00 3.92 3.96 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 0.00 0.00 0.00 52 N 8.86 4.54 0.00 2.95 3.08 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.46 3.90 2.10 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 1.43 1.23 0.98 0.00 0.00 54 K 8.31 3.89 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.65 7.81 55 A 8.16 4.14 1.43 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 0.00 0.00 0.00 56 I 7.75 3.77 1.90 0.00 0.00 0.52 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 1.43 0.82 0.00 0.00 57 C 8.19 4.61 0.00 3.07 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 58 G 8.30 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 59 A 8.82 4.17 1.29 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 0.00 0.00 0.00 60 N 8.17 4.89 0.00 2.86 2.87 0.00 0.00 6.75 7.58 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 61 G 8.06 5.08 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 62 S 8.78 4.95 0.00 3.86 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 63 P 0.00 4.70 0.00 1.95 2.03 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 64 Y 8.69 4.42 0.00 2.89 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 65 R 8.18 3.46 0.00 1.74 1.65 0.00 3.05 0.00 0.00 3.06 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 66 E 8.77 4.14 0.00 1.90 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 2.27 2.30 0.00 67 N 7.93 4.93 0.00 2.99 2.79 0.00 0.00 5.86 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 68 L 7.75 4.90 0.00 1.91 1.71 1.02 1.17 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 69 R 8.73 4.98 0.00 1.74 1.59 0.00 3.01 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 70 M 8.80 4.77 0.00 1.98 1.42 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.28 0.00 71 S 8.60 4.71 0.00 4.19 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 72 K 9.03 4.39 0.00 1.69 1.94 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.40 7.81 73 S 7.93 4.79 0.00 3.68 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 74 P 0.00 4.40 0.00 0.49 1.23 0.00 3.34 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 75 F 8.81 4.91 0.00 2.98 3.02 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 0.00 0.00 0.00 0.00 76 Q 9.04 4.93 0.00 2.20 2.23 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 2.70 2.42 0.00 77 V 9.17 5.03 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 1.04 0.00 0.00 1.03 0.00 0.00 78 T 8.96 5.09 4.55 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 1.36 0.00 0.00 79 T 9.07 4.76 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 1.35 0.00 0.00 80 C 9.38 5.41 0.00 2.81 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 81 K 9.15 5.29 0.00 1.39 1.64 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 82 H 9.52 4.35 0.00 3.13 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.34 4.43 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 1.22 0.00 0.00 84 G 8.73 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 0.00 0.00 0.00 85 G 7.71 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 0.00 0.00 0.00 86 S 7.53 4.38 0.00 3.67 3.76 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 87 P 0.00 4.27 0.00 2.17 2.13 0.00 3.55 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 88 R 7.10 4.63 0.00 1.96 1.84 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.00 89 P 0.00 4.60 0.00 2.18 2.18 0.00 3.77 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 1.99 2.07 0.00 90 P 0.00 4.32 0.00 2.07 2.04 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 91 C 8.62 4.67 0.00 3.14 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 92 Q 8.26 4.84 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.85 0.00 0.00 0.00 0.00 0.00 2.40 1.95 0.00 93 Y 8.80 5.22 0.00 2.90 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 94 R 9.20 4.97 0.00 1.78 1.86 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 95 A 9.15 5.05 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 96 S 9.18 4.49 0.00 3.87 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 97 A 8.49 5.07 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 98 G 8.38 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.97 5.55 0.00 2.89 3.01 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 0.00 100 R 8.81 4.80 0.00 1.81 1.84 0.00 2.71 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 101 H 9.08 4.77 0.00 3.19 3.24 0.00 5.64 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 0.00 102 V 8.68 4.51 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 1.06 0.00 0.00 0.65 0.00 0.00 103 V 7.31 4.38 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 0.70 0.00 0.00 -0.76 0.00 0.00 104 I 8.37 4.91 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.37 0.76 0.00 0.00 105 A 8.70 4.96 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 0.00 106 C 8.77 5.44 0.00 2.75 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 0.00 107 E 8.66 4.62 0.00 1.83 1.74 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 2.13 2.10 0.00 108 N 9.87 3.88 0.00 2.74 2.81 0.00 0.00 7.20 7.98 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 0.00 109 G 8.50 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 0.00 110 L 7.39 4.54 0.00 1.60 0.99 0.63 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.44 0.00 0.49 1.56 0.00 3.38 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 112 V 8.40 4.53 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 0.77 0.00 0.00 0.99 0.00 0.00 113 H 7.86 5.06 0.00 3.22 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.45 4.60 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 115 D 7.57 4.47 0.00 2.64 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 0.00 0.00 0.00 0.00 116 E 8.57 4.17 0.00 2.09 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 0.00 2.54 2.38 0.00 117 S 7.94 4.26 0.00 4.09 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 0.00 118 F 7.67 4.32 0.00 2.89 2.72 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 0.00 119 F 7.73 4.48 0.00 3.10 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 *120 S 7.95 4.27 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.