NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3824 8.1776 115.3682 58.2522 65.0937 175.6059 2 F 3.9819 8.0461 115.1104 58.3512 37.4104 173.8729 3 A 4.6402 6.8232 123.2611 51.6258 20.2285 177.0410 4 G 3.7634 8.0558 105.8769 48.1487 0.0000 174.2358 *6 L 4.2059 7.6357 116.8242 53.8541 43.0074 177.0314 7 K 4.1323 8.2880 121.7044 56.0577 32.8824 177.4556 8 D 4.3886 9.0580 122.3791 57.8793 40.8971 178.8857 9 A 3.9909 7.8879 120.4838 55.1150 18.4252 179.1634 10 D 4.2972 8.1187 117.4299 57.1949 41.1372 179.1243 11 V 3.5173 7.7585 118.1315 65.8680 31.4502 177.8480 12 A 4.0073 8.3384 120.4728 55.1316 18.1831 179.4897 13 A 3.9334 7.9723 119.0750 55.3100 18.2752 179.6769 14 A 4.0739 8.0469 117.9499 54.6433 18.4322 179.3768 15 L 4.3083 7.9849 117.0207 57.2165 41.8612 179.3141 16 A 4.0241 7.7528 121.2323 55.1245 18.1735 179.5230 17 A 4.1795 7.7575 117.7514 54.1225 18.3563 177.8967 18 C 5.1124 7.6101 110.6741 56.8981 30.1378 175.5433 19 S 4.1955 8.0307 117.4046 61.6539 62.8808 174.7053 20 A 4.2923 7.8303 123.1282 50.6992 19.3114 176.4854 21 A 4.2477 8.3735 123.9784 53.7172 18.8939 177.9859 22 D 4.5639 8.7846 118.4212 54.8782 38.9621 174.9574 23 S 4.4452 7.9367 113.7477 58.6342 63.8007 174.0120 24 F 4.2828 9.6202 125.7709 58.0012 39.8594 175.1072 25 K 4.0080 7.2219 125.9700 53.7669 35.0787 176.6966 26 H 3.0643 7.6896 121.6007 58.1607 28.2240 177.2661 27 K 3.8838 7.2374 121.5844 59.0958 32.0989 178.2253 28 E 3.7993 7.7274 118.9372 59.1786 29.6350 178.1151 29 F 3.9304 7.6756 120.5456 61.4760 39.3863 176.9781 30 F 4.5406 8.1616 117.1010 60.6341 38.4233 177.6514 31 A 3.9634 8.0001 119.9359 55.1936 18.0779 179.7023 32 K 3.8482 8.2808 117.2940 59.4310 32.2684 179.0848 33 V 3.5728 7.9423 119.3953 63.0701 31.6160 177.1164 34 G 4.0707 7.9026 106.0794 44.9669 0.0000 175.2077 35 L 3.9353 8.2502 120.0248 57.9448 41.7078 179.3604 36 A 4.0742 7.7420 119.3365 54.2490 18.3469 178.2010 37 S 4.6727 7.6314 108.7424 57.8452 63.2466 174.3869 38 K 4.3622 8.0700 121.5906 55.5601 33.3537 176.8604 39 S 4.4793 8.1554 115.4083 57.8766 65.1357 174.8203 40 L 4.0186 8.3577 122.7950 58.2107 41.7241 178.4165 41 D 4.3330 8.1363 118.6557 57.5899 40.9378 178.3494 42 D 4.4508 8.3727 119.4904 57.0571 40.8452 179.0775 43 V 3.7818 7.9747 119.0746 66.0131 31.6247 178.2572 44 K 4.0852 8.8324 118.9756 59.3721 31.8741 179.4549 45 K 4.1177 8.5071 118.6875 59.3444 32.0230 178.8766 46 A 4.2631 8.0767 120.6870 55.5377 18.3358 179.2390 47 F 3.0491 8.0150 118.5650 61.6039 39.0591 177.0501 48 Y 4.1840 7.4845 114.7880 60.7248 37.6274 178.2377 49 V 3.5642 7.2669 118.7314 65.7173 31.6646 177.9433 50 I 3.7822 7.1897 118.6078 62.8797 37.6651 176.3973 51 D 4.4538 7.4842 119.7590 52.7649 39.8971 176.4249 52 Q 3.8617 8.2149 125.1156 58.5302 29.0401 177.5392 53 D 4.5480 8.2737 114.1735 52.7353 39.7285 176.1126 54 K 4.0340 7.6999 117.9561 57.8360 29.9516 176.8345 55 S 4.2688 8.6849 114.2426 59.4808 63.6095 175.1255 56 G 3.9604 9.3415 108.9501 45.0387 0.0000 172.9053 57 F 5.3867 7.6626 116.3835 55.6684 43.3721 174.5388 58 I 4.6340 9.2151 123.8013 59.7253 38.1745 175.5661 59 E 4.6493 8.9103 127.1574 55.5679 30.8832 178.0554 60 E 4.0440 8.8416 120.0864 59.0515 29.4239 178.8594 61 D 4.3788 7.9466 119.5368 56.2859 40.1028 177.8115 62 E 4.0909 8.0340 119.5129 58.6513 29.6287 178.7126 63 L 3.8746 7.6681 120.6262 57.8672 42.1086 178.6038 64 K 3.8502 7.8419 119.3565 59.1776 31.9404 177.5964 65 L 4.7521 7.2507 115.8211 55.1187 41.5319 178.4098 66 F 3.8876 8.0263 121.8265 61.8671 39.3342 177.6638 67 L 3.9325 7.8853 118.0040 57.7102 41.3048 179.3736 68 Q 4.3017 7.8990 117.0332 58.4660 28.5997 178.0093 69 N 4.2875 7.6606 117.0984 55.8740 38.5234 176.7024 70 F 4.7160 8.2248 117.6309 58.6304 39.8550 176.2724 71 S 4.4601 8.3775 112.4300 56.8851 64.9452 173.1663 72 P 4.2179 0.0000 0.0000 65.6723 31.1301 177.3234 73 S 4.4105 7.9807 109.2620 58.3351 63.5521 174.1206 74 A 4.2546 8.2528 125.1062 51.9241 18.7635 177.5702 75 R 4.2028 8.1898 115.8952 55.3766 30.6369 176.4915 76 A 4.3195 8.1884 121.2248 52.0330 19.1901 177.2882 77 L 4.3533 8.3617 120.4330 54.4812 42.8650 177.3150 78 T 4.2416 8.9229 112.6546 61.2709 70.4261 175.5884 79 D 4.3255 8.8427 121.1948 57.6247 40.8870 179.0017 80 A 4.2280 7.9821 120.1425 54.5945 18.2501 179.3547 81 E 4.0817 8.1154 117.8228 59.8624 29.5448 179.3826 82 T 4.0254 8.3112 116.1729 66.1031 68.4171 177.0040 83 K 3.9848 8.8276 122.0741 59.4706 32.1684 178.8018 84 A 4.0864 7.9916 120.6656 54.8727 18.1623 179.4172 85 F 3.9686 8.0175 119.4998 61.4286 39.2760 177.2229 86 L 4.0431 7.9297 119.8557 58.1109 41.7343 178.3183 87 A 4.1477 8.1362 120.0021 55.4879 18.3426 178.5811 88 D 4.6131 7.9806 114.0904 55.8797 41.5979 177.8909 89 G 4.1539 8.2820 105.2482 45.1282 0.0000 173.8899 90 D 4.8693 9.0208 122.7026 53.3617 39.3723 176.4957 91 K 3.8594 8.3364 122.8519 57.6151 32.6211 177.5131 92 D 4.6617 8.2140 116.9894 52.4636 40.1408 177.2980 93 G 3.9063 7.8559 108.0470 46.2104 0.0000 174.1145 94 D 4.3996 8.0615 117.8176 53.5176 39.7975 177.5051 95 G 3.9573 10.6488 109.1958 45.4955 0.0000 172.6665 96 M 5.1294 7.9721 117.4605 53.5125 36.6919 174.6413 97 I 4.8405 8.6857 120.7525 59.8894 40.2178 176.1936 98 G 4.4070 9.5095 115.2923 44.6524 0.0000 174.7924 99 V 2.0237 7.6697 119.0418 64.7181 30.4154 178.1666 100 D 4.3057 7.7904 119.4400 56.7398 40.7153 178.5496 101 E 4.0232 8.1015 118.6233 59.1403 29.4731 178.8532 102 F 4.1959 8.5863 120.8528 61.5570 39.3349 177.1864 103 A 3.9826 8.0416 118.4254 54.7181 18.4310 179.3307 104 A 4.0266 7.6575 119.3399 55.6678 18.3274 179.5897 105 M 4.0074 7.6868 115.3488 58.7074 32.4186 178.0630 106 I 3.4307 7.5742 118.6324 61.6849 37.5988 175.9856 107 K 4.2095 7.2935 120.9372 54.0035 33.0494 176.2352 108 A 4.0967 8.4891 127.1699 52.9421 18.9656 176.3372 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 S 8.18 4.38 0.00 4.00 4.18 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 2 F 8.05 3.98 0.00 3.21 3.21 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 3 A 6.82 4.64 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 4 G 8.06 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 0.00 0.00 0.00 *6 L 7.64 4.21 0.00 1.56 1.64 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.29 4.13 0.00 1.80 1.72 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.41 7.81 8 D 9.06 4.39 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 9 A 7.89 3.99 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 10 D 8.12 4.30 0.00 2.88 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 11 V 7.76 3.52 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 1.20 0.00 0.00 1.10 0.00 0.00 12 A 8.34 4.01 1.42 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 0.00 0.00 13 A 7.97 3.93 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 14 A 8.05 4.07 1.10 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 15 L 7.98 4.31 0.00 2.14 1.80 1.10 0.70 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 16 A 7.75 4.02 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 17 A 7.76 4.18 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 18 C 7.61 5.11 0.00 3.26 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 19 S 8.03 4.20 0.00 4.07 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 0.00 20 A 7.83 4.29 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 21 A 8.37 4.25 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 22 D 8.78 4.56 0.00 2.85 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 23 S 7.94 4.45 0.00 4.04 4.12 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 24 F 9.62 4.28 0.00 2.82 3.15 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 25 K 7.22 4.01 0.00 1.41 1.35 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.25 7.81 26 H 7.69 3.06 0.00 2.08 2.61 0.00 5.46 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.24 3.88 0.00 1.65 1.68 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.54 7.81 28 E 7.73 3.80 0.00 1.87 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 0.00 2.30 2.22 0.00 29 F 7.68 3.93 0.00 2.93 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 30 F 8.16 4.54 0.00 3.29 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 31 A 8.00 3.96 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 32 K 8.28 3.85 0.00 1.64 1.74 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 33 V 7.94 3.57 1.69 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 0.72 0.00 0.00 0.56 0.00 0.00 34 G 7.90 4.07 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 0.00 0.00 0.00 35 L 8.25 3.94 0.00 1.89 1.86 1.37 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.74 4.07 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 37 S 7.63 4.67 0.00 3.93 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 38 K 8.07 4.36 0.00 1.87 1.83 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.71 7.81 39 S 8.16 4.48 0.00 4.06 4.02 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 40 L 8.36 4.02 0.00 1.71 1.72 0.95 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 41 D 8.14 4.33 0.00 2.76 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 42 D 8.37 4.45 0.00 3.01 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 43 V 7.97 3.78 2.13 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 1.13 0.00 0.00 1.03 0.00 0.00 44 K 8.83 4.09 0.00 2.12 2.02 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.53 7.81 45 K 8.51 4.12 0.00 2.10 2.02 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.56 7.81 46 A 8.08 4.26 1.77 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 0.00 0.00 47 F 8.01 3.05 0.00 2.69 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 48 Y 7.48 4.18 0.00 3.00 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 49 V 7.27 3.56 1.72 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 -0.34 0.00 0.00 0.75 0.00 0.00 50 I 7.19 3.78 1.49 0.00 0.00 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 1.32 0.39 0.86 0.00 0.00 51 D 7.48 4.45 0.00 2.05 2.23 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 52 Q 8.21 3.86 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 53 D 8.27 4.55 0.00 2.79 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 54 K 7.70 4.03 0.00 1.89 1.91 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.46 7.81 55 S 8.68 4.27 0.00 4.20 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 56 G 9.34 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 57 F 7.66 5.39 0.00 3.19 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 58 I 9.22 4.63 1.92 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.49 0.81 0.00 0.00 59 E 8.91 4.65 0.00 2.19 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 2.40 2.39 0.00 60 E 8.84 4.04 0.00 2.16 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 2.34 2.35 0.00 61 D 7.95 4.38 0.00 2.83 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 62 E 8.03 4.09 0.00 2.17 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 2.33 2.31 0.00 63 L 7.67 3.87 0.00 1.77 1.68 -0.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.84 3.85 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.62 7.81 65 L 7.25 4.75 0.00 1.75 1.77 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.03 3.89 0.00 3.08 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 67 L 7.89 3.93 0.00 1.66 1.67 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.90 4.30 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 69 N 7.66 4.29 0.00 2.55 2.33 0.00 0.00 6.97 7.11 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 70 F 8.22 4.72 0.00 3.38 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 71 S 8.38 4.46 0.00 3.92 3.78 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 72 P 0.00 4.22 0.00 2.09 2.13 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 73 S 7.98 4.41 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.25 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 75 R 8.19 4.20 0.00 1.93 1.95 0.00 3.05 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 76 A 8.19 4.32 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 77 L 8.36 4.35 0.00 1.49 1.56 0.77 0.20 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 78 T 8.92 4.24 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 1.39 0.00 0.00 79 D 8.84 4.33 0.00 2.79 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 80 A 7.98 4.23 1.39 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 0.00 0.00 0.00 81 E 8.12 4.08 0.00 2.33 2.13 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 2.50 2.43 0.00 82 T 8.31 4.03 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 1.17 0.00 0.00 83 K 8.83 3.98 0.00 2.06 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 84 A 7.99 4.09 1.45 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 0.00 0.00 85 F 8.02 3.97 0.00 3.22 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 86 L 7.93 4.04 0.00 2.01 1.70 0.96 1.10 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 87 A 8.14 4.15 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 88 D 7.98 4.61 0.00 2.66 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 89 G 8.28 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 90 D 9.02 4.87 0.00 2.64 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 91 K 8.34 3.86 0.00 1.82 1.88 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.39 7.81 92 D 8.21 4.66 0.00 2.71 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 93 G 7.86 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 94 D 8.06 4.40 0.00 2.69 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 95 G 10.65 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 96 M 7.97 5.13 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 97 I 8.69 4.84 2.15 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 1.32 0.00 0.00 98 G 9.51 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 2.02 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 0.67 0.00 0.00 0.42 0.00 0.00 100 D 7.79 4.31 0.00 2.72 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 0.00 101 E 8.10 4.02 0.00 2.39 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 2.46 2.42 0.00 102 F 8.59 4.20 0.00 3.23 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 0.00 103 A 8.04 3.98 1.31 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 0.00 0.00 104 A 7.66 4.03 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 0.00 105 M 7.69 4.01 0.00 1.92 2.24 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 106 I 7.57 3.43 1.40 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.36 0.67 0.00 0.00 107 K 7.29 4.21 0.00 1.96 1.66 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.35 7.81 108 A 8.49 4.10 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 * Residues marked with a * may have inaccurate shift predictions.