NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5894 8.1933 115.5813 58.2948 63.9294 172.3175 3 V 4.9242 8.5287 119.5043 59.4834 35.5103 173.5963 4 T 4.5951 10.3484 121.6147 62.1543 72.6241 172.7811 5 Q 4.9878 8.7677 126.0821 53.2957 29.3837 174.3378 6 P 4.3555 0.0000 0.0000 64.6798 31.4443 176.4963 7 D 4.8789 7.3553 118.9115 52.1470 42.5982 175.8895 8 A 4.2637 8.7728 126.5521 54.4954 19.4620 177.2312 9 R 5.1221 7.8607 111.4892 54.5779 34.1824 175.4488 10 V 4.5521 9.0037 121.2948 61.7194 35.4435 173.7700 11 T 5.2160 8.5559 122.9207 61.9681 71.4999 173.6979 12 V 4.5791 8.9269 118.1871 59.5679 36.7037 174.7900 13 S 4.5489 8.5664 119.6482 57.7992 63.9628 173.4638 14 E 3.9862 8.8849 125.1263 58.2174 29.7375 176.3271 15 G 3.9672 9.2038 113.5889 44.6208 0.0000 173.6245 16 A 4.3608 7.9454 121.5162 51.2906 20.1518 176.9192 17 S 4.9373 8.3135 114.7432 57.5291 64.1343 173.9639 18 L 4.7572 8.8818 124.8246 53.3785 45.2995 175.1947 19 Q 5.1528 8.2960 125.1941 54.2071 32.0187 173.4514 20 L 4.6870 8.2042 126.5758 52.9608 43.9709 176.3321 21 R 4.3764 8.6415 123.1585 56.3410 31.5759 176.8678 22 C 5.1795 9.0001 121.0174 55.7040 45.5534 172.5523 23 K 5.5007 9.5299 126.2786 54.7220 35.1660 174.7099 24 Y 5.3781 8.7797 121.5166 55.1714 41.4705 174.6046 25 S 4.7102 8.9532 116.7472 57.2876 65.0297 173.1780 26 Y 4.6923 8.4728 124.5228 56.7122 41.5699 174.3198 27 S 4.1046 8.5442 123.9483 61.6083 63.2231 174.8240 28 A 4.1683 6.6456 120.4013 51.6226 19.0596 176.1466 29 T 3.8088 8.3589 114.7690 63.1725 68.4993 172.5738 30 P 3.9850 0.0000 0.0000 62.3536 32.0917 175.3471 31 Y 4.2330 7.9121 121.1554 56.0591 39.6487 174.1609 32 L 4.8264 7.4113 123.1542 53.0549 44.1649 175.9040 33 F 5.6910 9.6407 120.1402 55.8713 44.3977 173.6153 34 W 5.7127 9.3281 119.2164 55.5336 32.6614 174.2859 35 Y 5.4421 10.2269 122.8683 56.1390 41.2247 174.9538 36 V 4.3052 8.7766 121.8981 59.7776 34.7434 174.4769 37 Q 4.5927 8.7212 124.4648 54.5079 31.3319 173.6881 38 Y 4.6979 8.4124 124.6617 56.5922 39.7510 173.3404 39 P 4.0473 0.0000 0.0000 63.6784 31.9302 176.0604 40 R 3.8807 8.7468 120.9644 57.0236 27.6999 175.6711 41 Q 4.5770 7.7104 113.5607 54.2055 33.1480 175.1178 42 G 3.9050 8.3098 108.5359 44.1439 0.0000 171.6927 43 P 4.6829 0.0000 0.0000 62.4974 32.0073 176.1918 44 Q 4.9243 9.1709 123.0651 53.6959 32.0066 174.8185 45 L 3.3756 8.6229 125.4443 55.4241 41.9834 175.4645 46 L 4.5755 9.0997 129.2391 56.1781 43.4304 175.8425 47 L 4.6832 7.6055 116.4556 54.9882 43.9210 173.0233 48 K 5.1152 8.3590 117.1330 55.7923 35.6913 174.7459 49 Y 4.3734 8.4402 122.2477 56.6230 41.2409 174.2014 50 Y 4.2856 7.7527 123.0358 58.5153 39.6865 175.7473 51 S 4.7152 6.6730 109.3214 59.1524 66.3241 175.7311 52 G 3.9724 8.6471 107.3288 44.8882 0.0000 174.4629 53 D 4.3910 8.8861 125.5832 54.1809 41.2499 174.6358 54 P 4.3920 0.0000 0.0000 64.2428 32.4259 175.5697 55 V 4.7472 8.1684 121.2118 61.5685 33.1285 174.9649 56 V 4.5601 8.7222 121.7842 59.9738 34.1509 175.1332 57 Q 4.8617 8.7081 122.1909 54.5305 30.9933 174.9564 58 G 4.3530 9.1147 109.2816 44.3476 0.0000 172.2377 59 V 3.9568 8.1246 118.0880 63.2230 32.1625 175.1221 60 N 4.0166 9.4326 117.2771 54.9717 36.0915 174.3816 61 G 3.9130 8.0818 99.4348 46.9634 0.0000 173.4854 62 F 5.0331 7.6282 116.0463 55.5510 42.4296 175.5701 63 E 5.2123 8.9115 118.0324 55.5818 33.2989 173.6472 64 A 5.1879 8.6250 121.1721 49.8940 23.6017 174.6084 65 E 5.1145 8.3811 119.2046 54.3537 32.8645 174.2716 66 F 5.1411 9.5425 130.5071 57.8471 40.4905 174.9767 67 S 3.9793 8.4380 120.5182 55.9643 63.7870 174.1049 68 K 3.7587 8.1801 127.8169 58.6024 32.0058 178.0202 69 S 4.1198 7.7761 111.4825 61.6585 62.7884 174.9874 70 N 4.2976 8.0335 119.5921 53.2230 39.2634 174.6999 71 S 3.2721 8.0999 113.9501 60.1853 60.8873 170.9452 72 S 5.4174 7.4882 112.3427 56.4880 67.1296 174.2366 73 F 6.0439 8.5314 119.9409 58.4262 39.1878 173.7707 74 H 4.8872 8.1968 119.0235 56.0219 30.5866 176.2576 75 L 4.3765 8.5232 124.8345 54.2073 44.0137 175.1058 76 R 5.0062 8.6631 122.7647 55.1150 34.3247 173.6314 77 K 4.6627 8.6817 125.5198 54.6093 35.0601 176.9611 78 A 3.9179 8.6581 130.4508 54.8490 18.7488 176.5296 79 S 4.7622 7.4445 110.9026 57.1661 65.2303 173.9339 80 V 4.2308 8.6595 121.6897 61.1793 33.4164 175.0765 81 H 5.2038 9.3777 119.5648 53.7470 32.9536 174.9231 82 R 3.9723 8.7201 118.0929 59.8723 30.0016 179.5852 83 S 4.1409 8.3086 112.1559 61.9080 62.7939 175.2555 84 D 4.9480 8.2258 117.5481 55.5928 40.8628 176.4988 85 S 4.7235 8.6642 116.5960 58.9055 63.3841 173.6823 86 A 4.2904 8.1072 125.2368 52.0585 23.3559 173.6660 87 V 4.5954 7.3666 116.4737 61.6304 33.7714 174.8784 88 Y 4.9297 9.1226 125.9503 56.3375 40.2627 174.5557 89 F 5.3750 10.1445 123.9415 55.9203 42.1761 173.6559 90 C 4.3234 8.6919 122.7989 54.9849 44.0233 171.9844 91 A 5.1293 8.6857 125.7081 50.5231 22.8873 175.3195 92 V 4.6926 8.1200 120.0789 59.4131 34.9899 174.8560 93 S 4.2863 9.2174 119.2104 57.9710 62.8154 172.0255 *99 D 4.9612 8.7921 128.5305 52.9453 41.6880 175.4534 100 P 4.4425 0.0000 0.0000 61.8103 31.2323 174.2867 101 P 4.5911 0.0000 0.0000 62.2783 31.7427 173.8832 102 P 4.6795 0.0000 0.0000 62.9686 31.6851 175.8350 103 L 4.3901 7.9896 118.7632 54.4582 42.7112 175.8070 104 L 4.5311 8.1686 123.1274 53.5317 44.6002 175.3866 105 T 4.4783 8.3565 123.2014 62.0498 70.1564 174.3792 106 F 4.5158 8.8148 125.4034 56.7170 40.4566 175.7596 107 G 4.2641 8.7462 109.1409 45.0206 0.0000 174.7992 108 S 4.1345 8.8349 113.5452 59.2692 63.3245 175.6764 109 G 3.7015 8.0976 105.2470 45.8774 0.0000 172.8189 110 T 4.7878 8.0133 115.2094 61.4500 72.8003 173.0123 111 K 4.6909 9.0854 128.5126 55.5106 33.7455 175.1978 112 V 4.8643 9.1597 128.2655 61.2890 33.9444 174.2061 113 I 4.8380 8.9105 129.1299 59.4950 39.8083 174.6607 114 V 5.4532 8.3750 127.1559 59.1781 33.3424 176.0264 115 L 4.3306 8.4501 122.8069 54.9359 41.3639 176.5762 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 S 8.19 4.59 0.00 4.01 3.91 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 3 V 8.53 4.92 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 0.77 0.00 0.00 0.98 0.00 0.00 4 T 10.35 4.60 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 1.29 0.00 0.00 5 Q 8.77 4.99 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 6 P 0.00 4.36 0.00 2.20 2.24 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 7 D 7.36 4.88 0.00 2.79 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 8 A 8.77 4.26 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 9 R 7.86 5.12 0.00 1.66 1.80 0.00 3.19 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 V 9.00 4.55 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 1.01 0.00 0.00 0.93 0.00 0.00 11 T 8.56 5.22 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 12 V 8.93 4.58 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 0.69 0.00 0.00 0.91 0.00 0.00 13 S 8.57 4.55 0.00 3.76 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 14 E 8.88 3.99 0.00 1.93 1.89 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 2.33 2.52 0.00 15 G 9.20 3.97 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 0.00 0.00 0.00 16 A 7.95 4.36 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 17 S 8.31 4.94 0.00 3.71 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 18 L 8.88 4.76 0.00 1.56 1.31 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.30 5.15 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 20 L 8.20 4.69 0.00 1.18 1.62 0.50 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.64 4.38 0.00 1.69 1.77 0.00 3.13 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.53 0.00 22 C 9.00 5.18 0.00 3.21 3.46 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 0.00 23 K 9.53 5.50 0.00 1.71 1.66 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 Y 8.78 5.38 0.00 3.00 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 25 S 8.95 4.71 0.00 3.89 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 26 Y 8.47 4.69 0.00 3.03 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 S 8.54 4.10 0.00 3.68 3.81 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 28 A 6.65 4.17 1.17 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 0.00 0.00 0.00 29 T 8.36 3.81 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 0.39 0.00 0.00 30 P 0.00 3.99 0.00 1.55 1.73 0.00 3.53 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.04 0.00 31 Y 7.91 4.23 0.00 2.92 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 32 L 7.41 4.83 0.00 0.27 0.74 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.64 5.69 0.00 3.06 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 34 W 9.33 5.71 0.00 3.30 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 35 Y 10.23 5.44 0.00 3.22 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 36 V 8.78 4.31 1.64 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 0.70 0.00 0.00 -0.49 0.00 0.00 37 Q 8.72 4.59 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 38 Y 8.41 4.70 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 39 P 0.00 4.05 0.00 2.10 2.04 0.00 4.00 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 2.10 2.22 0.00 40 R 8.75 3.88 0.00 1.95 2.00 0.00 3.18 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 41 Q 7.71 4.58 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 G 8.31 3.91 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 0.00 0.00 0.00 43 P 0.00 4.68 0.00 1.72 1.89 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.81 0.00 44 Q 9.17 4.92 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 45 L 8.62 3.38 0.00 1.37 1.50 0.57 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.10 4.58 0.00 1.90 1.62 0.82 -0.30 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 47 L 7.61 4.68 0.00 1.86 1.78 1.11 0.15 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 48 K 8.36 5.12 0.00 1.19 1.84 0.00 1.14 0.00 0.00 1.63 0.00 0.00 2.52 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.10 0.74 7.81 49 Y 8.44 4.37 0.00 3.25 2.35 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 50 Y 7.75 4.29 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.67 4.72 0.00 3.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 3.97 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 0.00 0.00 0.00 53 D 8.89 4.39 0.00 2.71 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 54 P 0.00 4.39 0.00 2.27 2.36 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 55 V 8.17 4.75 2.22 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 0.86 0.00 0.00 0.95 0.00 0.00 56 V 8.72 4.56 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 1.03 0.00 0.00 1.16 0.00 0.00 57 Q 8.71 4.86 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 58 G 9.11 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 0.00 0.00 0.00 0.00 59 V 8.12 3.96 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 0.99 0.00 0.00 60 N 9.43 4.02 0.00 3.25 3.07 0.00 0.00 6.97 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 61 G 8.08 3.91 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 0.00 0.00 0.00 62 F 7.63 5.03 0.00 3.20 2.85 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 63 E 8.91 5.21 0.00 2.10 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 0.00 2.20 2.19 0.00 64 A 8.62 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.38 5.11 0.00 2.00 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 2.24 2.39 0.00 66 F 9.54 5.14 0.00 2.54 2.40 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 67 S 8.44 3.98 0.00 3.72 3.51 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 K 8.18 3.76 0.00 1.82 1.76 0.00 1.84 0.00 0.00 2.52 0.00 0.00 3.15 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.46 7.81 69 S 7.78 4.12 0.00 3.96 3.91 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 70 N 8.03 4.30 0.00 2.64 2.78 0.00 0.00 7.42 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.10 3.27 0.00 3.79 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.49 5.42 0.00 3.80 3.87 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 73 F 8.53 6.04 0.00 3.13 3.20 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 0.00 0.00 0.00 74 H 8.20 4.89 0.00 3.15 3.19 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 75 L 8.52 4.38 0.00 0.27 0.37 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.66 5.01 0.00 1.73 1.58 0.00 3.03 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 77 K 8.68 4.66 0.00 0.93 1.20 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.76 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.94 1.04 7.81 78 A 8.66 3.92 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 79 S 7.44 4.76 0.00 3.77 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 80 V 8.66 4.23 2.04 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 0.48 0.00 0.00 0.92 0.00 0.00 81 H 9.38 5.20 0.00 3.01 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.72 3.97 0.00 1.85 2.03 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 83 S 8.31 4.14 0.00 3.93 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 84 D 8.23 4.95 0.00 2.93 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 85 S 8.66 4.72 0.00 3.98 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 86 A 8.11 4.29 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 87 V 7.37 4.60 1.93 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 0.41 0.00 0.00 0.88 0.00 0.00 88 Y 9.12 4.93 0.00 3.00 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 89 F 10.14 5.38 0.00 3.17 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 90 C 8.69 4.32 0.00 1.78 2.58 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 91 A 8.69 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.12 4.69 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 0.53 0.00 0.00 0.42 0.00 0.00 93 S 9.22 4.29 0.00 4.34 3.95 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 *99 D 8.79 4.96 0.00 2.68 2.25 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 0.00 100 P 0.00 4.44 0.00 2.30 2.27 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 101 P 0.00 4.59 0.00 2.02 1.92 0.00 3.77 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 102 P 0.00 4.68 0.00 2.12 2.07 0.00 3.73 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 1.92 1.94 0.00 103 L 7.99 4.39 0.00 1.68 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.17 4.53 0.00 1.39 1.14 0.38 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.36 4.48 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 1.21 0.00 0.00 106 F 8.81 4.52 0.00 2.80 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 0.00 107 G 8.75 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 0.00 0.00 0.00 0.00 108 S 8.83 4.13 0.00 4.07 4.09 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 0.00 0.00 0.00 109 G 8.10 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 0.00 0.00 0.00 110 T 8.01 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 1.25 0.00 0.00 111 K 9.09 4.69 0.00 1.82 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 112 V 9.16 4.86 2.35 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 0.94 0.00 0.00 0.89 0.00 0.00 113 I 8.91 4.84 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 1.32 0.60 0.94 0.00 0.00 114 V 8.37 5.45 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 0.97 0.00 0.00 0.97 0.00 0.00 115 L 8.45 4.33 0.00 1.55 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.