NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2753 8.1329 117.3670 63.7667 70.9001 176.4722 3 D 4.2064 8.0352 123.1674 56.9455 39.5615 178.8914 4 T 4.1089 7.9299 111.0706 64.3730 69.1994 175.6307 5 N 3.7936 7.9929 118.5852 56.5343 38.9567 176.1605 6 L 4.1336 7.8077 118.7281 57.8235 42.0394 179.4098 7 V 3.7943 7.8085 118.0227 65.8329 31.5484 178.6621 8 E 4.5474 8.5354 119.3806 56.4430 29.3995 179.3762 *10 R 4.1251 8.0514 119.0287 56.2827 32.3240 178.2245 11 A 3.9769 7.9324 119.5048 55.2110 18.7033 178.9353 12 I 3.4083 7.5436 116.1886 64.4351 37.2643 177.4938 13 E 3.4193 7.8110 117.9775 59.2136 29.7695 177.7925 14 R 4.0888 7.6063 120.5809 56.6594 28.0832 176.2010 *17 F 5.2252 7.9272 119.9627 57.4600 41.6595 177.5070 18 D 4.4668 8.8038 120.8445 57.3775 40.5075 177.9827 19 Y 4.1942 8.2381 119.5616 61.2281 38.8594 178.5242 20 S 4.2155 8.4237 115.3922 61.4495 62.7571 175.8825 21 Y 4.0624 8.2500 121.9770 61.2464 38.8531 177.7992 22 H 4.1370 8.5675 117.2108 58.3786 28.4534 177.7619 23 L 3.8223 7.3785 121.7476 57.8749 42.2403 180.2603 24 D 4.7196 7.6071 119.9044 53.0716 41.8212 176.2997 *26 N 4.4833 8.0198 113.0675 54.4109 40.4629 175.2848 27 H 5.0116 8.2185 118.6592 53.4375 28.9969 173.9779 28 P 4.3549 0.0000 0.0000 65.8382 31.3969 178.4875 29 E 4.1497 8.1649 117.8407 59.0186 29.2993 178.7395 30 E 4.0344 8.1192 117.7451 59.0476 29.8453 178.8374 31 L 4.2727 7.9250 118.8357 57.9751 41.9341 179.4865 32 A 4.4126 8.4890 120.3930 55.0477 18.1134 179.2742 33 A 4.2369 7.9355 117.9558 54.2738 18.6796 178.0514 34 L 4.4413 8.0649 116.8562 54.4973 42.0495 175.9732 35 F 5.2355 7.8343 117.2507 55.4548 41.3658 175.9607 36 V 4.0444 8.2659 117.4974 60.8140 32.5001 176.5811 37 E 4.1169 8.9198 120.9760 59.3700 29.8803 178.0057 38 D 5.3805 7.8048 118.4895 52.5332 37.8191 176.0459 39 C 4.9265 7.7604 114.1746 58.4896 32.7957 173.7084 40 E 5.2127 9.1566 118.4558 54.7756 33.5150 175.2206 41 V 4.6925 8.9337 116.6154 59.4673 35.8148 174.5560 42 S 4.5119 8.7923 119.4417 56.9559 64.3666 173.7225 43 Y 4.5556 8.3810 124.8443 58.4893 39.4372 175.2816 44 A 4.7932 7.3038 119.8631 51.5361 21.8407 175.1124 45 P 4.3145 0.0000 0.0000 65.7352 31.3878 178.2073 46 N 5.0069 8.1470 113.2806 51.3403 38.6007 178.0781 47 F 5.0933 8.2167 123.4352 59.0973 41.9342 173.1830 48 G 4.0081 8.6284 112.3325 46.4634 0.0000 170.2942 49 A 4.8266 8.3977 119.2625 51.1753 23.0513 175.8499 50 T 4.8596 8.5178 116.6485 62.8699 71.6527 175.3972 51 G 4.3948 9.3274 110.8409 46.0626 0.0000 174.6007 52 R 3.9993 8.4746 118.3218 59.2564 30.0429 179.2634 53 D 4.3571 8.1217 118.0191 57.2992 40.7010 178.4863 54 A 4.0191 7.9246 119.7919 55.1688 18.7625 178.4322 55 Y 4.1383 8.0190 118.0547 60.9307 38.8187 178.6288 56 K 3.7173 8.3482 119.5435 59.3726 32.1951 179.4813 57 K 4.0636 8.1377 118.8504 59.2675 31.6936 179.0722 58 T 4.2729 7.6177 108.8406 63.7596 69.1824 175.4952 59 L 4.1567 7.8176 124.0152 56.5144 42.2479 177.2765 60 E 4.0518 7.5102 114.8784 57.7281 29.8662 182.7606 61 G 4.0680 9.1703 111.3292 45.1365 0.0000 175.2014 62 I 3.9964 8.2695 120.7629 64.1906 37.9862 177.9621 63 G 3.9032 8.0802 106.9088 47.1367 0.0000 174.1543 64 T 4.2918 7.6493 109.3458 62.6999 70.3906 176.2471 *65 F 3.9975 8.6674 124.7229 58.7213 39.3927 174.8006 66 F 5.3948 6.9125 116.4650 55.6098 41.5627 175.5055 67 R 4.1796 9.1815 124.2256 59.1725 30.5988 176.9622 68 G 4.1987 7.5574 102.9017 45.8463 0.0000 172.5850 69 T 5.0730 7.8876 109.8159 59.7114 73.0529 172.5274 70 S 4.9646 8.7897 116.6740 57.0020 65.7413 172.1463 71 H 5.2658 9.2471 124.1774 54.2786 31.3387 173.2281 72 H 4.7711 9.3146 119.9477 54.2261 31.6588 172.1884 73 N 5.6525 8.8767 121.3719 51.5530 40.7593 174.3841 74 S 4.6178 8.8586 117.3751 57.0133 67.7018 173.1524 75 N 4.3090 8.6812 113.2309 54.4559 35.4851 174.1821 76 I 4.2615 7.8697 118.6258 61.0614 38.3111 175.6518 77 C 4.7588 9.2678 125.3986 57.9003 30.9425 173.0131 78 I 4.6173 8.2935 124.4569 59.3551 39.4489 174.6900 79 D 4.8399 8.6867 126.8853 52.2642 43.7927 175.5194 80 F 4.5467 8.8213 123.0786 57.2028 39.9170 175.8163 81 V 3.8593 8.8112 126.6536 65.3931 31.7010 175.4097 82 S 4.6511 7.6346 111.8239 57.2327 65.2459 173.5404 83 E 4.2204 8.8831 117.1139 58.9948 29.6930 177.1092 84 T 4.5029 8.1755 108.9158 60.8934 70.7612 172.8006 85 E 5.4574 8.6139 121.5001 55.3334 33.4527 173.8336 86 A 4.9771 9.4696 127.5685 50.4368 23.2402 174.2594 87 N 5.2757 8.8938 118.1408 51.8006 41.1376 174.5087 88 V 4.7399 8.8298 122.5819 61.0250 35.3750 173.9434 89 R 4.7743 8.6398 127.6719 54.5727 32.9958 174.3915 90 S 5.1560 8.5098 118.6957 57.9650 67.3145 172.6321 91 V 4.9908 8.7821 120.2435 61.0742 33.9974 174.6295 92 V 5.0362 8.8538 125.9702 59.8104 35.0219 173.9336 93 L 4.9839 8.9500 125.1124 53.2320 44.7093 174.7623 94 A 4.8550 8.8143 128.0226 50.1862 22.0504 174.3557 95 I 4.7342 8.3809 123.7663 59.8653 40.1511 174.6035 96 H 4.6236 9.0360 123.4383 53.8234 31.9211 172.6086 97 R 4.8369 8.5927 124.9831 54.1526 31.2333 175.1607 98 Y 4.8656 8.4459 124.3956 58.1905 39.1277 177.0653 99 T 3.9709 8.8174 119.5849 66.7843 68.9200 176.0166 100 K 4.0267 8.1159 121.4940 56.4653 32.7090 177.6068 101 E 4.2117 8.5929 118.6078 56.3502 28.9231 176.2409 102 R 4.6445 7.9871 119.3782 53.4954 31.9058 173.2822 103 P 4.5058 0.0000 0.0000 62.5186 31.6962 176.1776 104 D 4.7450 8.7722 120.1392 55.0207 42.1826 175.5664 105 G 4.8762 8.9902 109.8506 44.4198 0.0000 172.4756 106 I 4.8656 8.9148 126.3895 59.2505 40.2183 174.1991 107 L 4.4556 8.5952 129.4978 53.1604 44.6779 174.3765 108 Y 4.9626 8.5134 123.7352 56.3971 40.3556 174.9884 109 G 4.4007 9.2044 110.9844 44.8815 0.0000 170.4957 110 Q 5.1984 9.2528 118.1145 54.1653 32.5866 174.5409 111 Y 5.2247 8.9107 121.0160 56.3789 40.7961 174.7592 112 F 5.0023 9.6993 123.5077 56.1114 41.0375 174.2054 113 D 5.5388 9.3603 124.1687 52.6357 44.7244 175.4356 114 T 4.9911 9.0307 118.2409 61.9899 71.2998 173.6167 115 V 4.9620 8.9390 120.0103 59.6862 34.9672 175.3105 116 V 5.0896 9.0204 116.5302 59.5567 36.1019 174.3603 117 K 4.1777 8.0734 125.1387 54.5956 33.2984 176.1248 118 V 4.1705 8.1776 120.9950 60.5987 34.4527 175.6720 119 D 4.4359 9.8014 125.7523 55.4021 38.2525 174.7746 120 G 3.8389 8.3474 104.6809 45.1225 0.0000 173.1994 121 Q 4.5789 7.6162 121.1263 53.6461 32.0433 174.5233 122 W 4.6973 8.7554 126.1881 56.6527 30.0061 175.6621 123 K 4.6210 9.2109 122.7477 54.3303 36.7799 175.4625 124 F 4.4505 8.6108 121.6863 57.6848 39.4556 176.2207 125 K 4.3148 9.4363 125.1895 57.9175 34.0192 176.2352 126 R 5.2351 7.8699 118.7075 54.7668 34.0055 173.8611 127 R 5.2890 9.0434 124.0786 53.2510 33.9108 173.8883 128 E 4.9620 9.3288 124.9988 54.2529 32.2263 174.2434 129 L 4.5905 8.8417 130.5235 54.4691 43.2204 175.8775 130 R 4.8020 9.1451 125.7767 54.8177 32.8062 175.1948 131 T 4.6496 8.6382 121.5009 62.5396 68.6331 175.1505 132 T 4.0477 8.6318 125.2668 66.4458 69.0224 175.2490 *134 T 4.4194 7.7253 109.4438 61.8887 70.3891 173.7496 135 T 4.5858 8.5275 118.4295 62.4850 72.4622 174.1572 136 D 4.5787 8.9694 125.9860 55.4473 38.6814 173.1326 137 Y 4.8550 8.1287 118.2975 57.0386 40.2621 174.3151 138 H 4.6320 7.1809 115.9207 54.9088 29.2365 174.6135 139 V 4.2879 6.8748 119.6054 61.3733 34.0111 174.5892 140 R 4.2572 8.7590 126.6196 58.1348 30.8290 176.6787 141 A 4.1565 7.8245 118.6639 52.9261 18.9027 176.0222 142 A 4.7377 7.9922 120.0756 50.9729 22.5107 175.6829 143 N 4.6421 8.7049 118.1513 52.2614 39.7910 173.5345 144 P 4.7332 0.0000 0.0000 62.1276 31.9546 176.9095 145 I 3.8008 8.4247 114.9461 62.1387 37.9737 176.3162 146 G 3.7196 8.0929 108.4566 45.9341 0.0000 173.5780 147 R 3.8515 8.0935 118.9971 55.7994 30.6000 175.9550 148 A 4.1703 8.3744 127.8934 52.1491 19.2004 177.0510 149 E 4.1671 8.6009 119.1118 56.7144 29.6332 177.0127 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 T 8.13 4.28 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 1.20 0.00 0.00 3 D 8.04 4.21 0.00 2.76 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 4 T 7.93 4.11 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 1.18 0.00 0.00 5 N 7.99 3.79 0.00 2.58 3.05 0.00 0.00 6.98 7.78 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 6 L 7.81 4.13 0.00 1.79 1.72 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.81 3.79 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 1.06 0.00 0.00 0.95 0.00 0.00 8 E 8.54 4.55 0.00 2.05 2.20 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 2.63 2.57 0.00 *10 R 8.05 4.13 0.00 2.04 2.00 0.00 3.30 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 11 A 7.93 3.98 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 12 I 7.54 3.41 1.32 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.36 0.41 0.00 0.00 13 E 7.81 3.42 0.00 1.81 1.38 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 2.02 2.03 0.00 14 R 7.61 4.09 0.00 1.91 2.01 0.00 3.30 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 *17 F 7.93 5.23 0.00 3.28 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 18 D 8.80 4.47 0.00 2.75 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 19 Y 8.24 4.19 0.00 3.15 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 20 S 8.42 4.22 0.00 4.10 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 21 Y 8.25 4.06 0.00 2.92 3.10 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 22 H 8.57 4.14 0.00 3.24 3.32 0.00 5.67 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 23 L 7.38 3.82 0.00 1.36 1.66 0.85 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 24 D 7.61 4.72 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 *26 N 8.02 4.48 0.00 2.67 2.80 0.00 0.00 7.07 7.89 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 27 H 8.22 5.01 0.00 3.29 3.16 0.00 5.70 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 28 P 0.00 4.35 0.00 2.28 2.32 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 29 E 8.16 4.15 0.00 2.02 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 2.42 2.36 0.00 30 E 8.12 4.03 0.00 1.95 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 0.00 2.24 2.15 0.00 31 L 7.92 4.27 0.00 2.16 2.08 0.88 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.49 4.41 1.59 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 0.00 0.00 33 A 7.94 4.24 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 34 L 8.06 4.44 0.00 2.05 1.67 1.16 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.83 5.24 0.00 3.14 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 36 V 8.27 4.04 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 0.67 0.00 0.00 1.10 0.00 0.00 37 E 8.92 4.12 0.00 2.06 2.03 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 2.44 2.34 0.00 38 D 7.80 5.38 0.00 2.69 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 39 C 7.76 4.93 0.00 3.23 3.41 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 40 E 9.16 5.21 0.00 1.88 1.79 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 2.21 2.28 0.00 41 V 8.93 4.69 1.55 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 0.54 0.00 0.00 0.82 0.00 0.00 42 S 8.79 4.51 0.00 3.73 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 43 Y 8.38 4.56 0.00 2.39 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 44 A 7.30 4.79 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 45 P 0.00 4.31 0.00 2.09 2.16 0.00 3.70 0.00 0.00 3.97 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 46 N 8.15 5.01 0.00 2.70 2.63 0.00 0.00 6.37 7.43 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 47 F 8.22 5.09 0.00 3.07 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 48 G 8.63 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 0.00 0.00 0.00 49 A 8.40 4.83 1.25 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 0.00 0.00 50 T 8.52 4.86 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 1.29 0.00 0.00 51 G 9.33 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 0.00 0.00 0.00 0.00 52 R 8.47 4.00 0.00 1.93 2.09 0.00 3.21 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 53 D 8.12 4.36 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 A 7.92 4.02 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 55 Y 8.02 4.14 0.00 2.82 2.98 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 56 K 8.35 3.72 0.00 1.98 1.82 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.58 7.81 57 K 8.14 4.06 0.00 2.08 1.88 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 58 T 7.62 4.27 4.49 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 1.39 0.00 0.00 59 L 7.82 4.16 0.00 1.84 1.70 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.51 4.05 0.00 2.02 1.79 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 2.27 2.16 0.00 61 G 9.17 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 62 I 8.27 4.00 2.07 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 1.31 1.45 1.02 0.00 0.00 63 G 8.08 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 64 T 7.65 4.29 4.19 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 1.19 0.00 0.00 *65 F 8.67 4.00 0.00 2.00 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 66 F 6.91 5.39 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.18 4.18 0.00 1.70 2.01 0.00 3.23 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 68 G 7.56 4.20 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 0.00 0.00 0.00 69 T 7.89 5.07 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 0.59 0.00 0.00 70 S 8.79 4.96 0.00 3.81 3.67 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 71 H 9.25 5.27 0.00 3.04 3.26 0.00 5.84 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 72 H 9.31 4.77 0.00 3.02 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.88 5.65 0.00 2.87 2.94 0.00 0.00 6.93 7.57 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 74 S 8.86 4.62 0.00 3.87 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 75 N 8.68 4.31 0.00 3.02 2.93 0.00 0.00 6.84 7.32 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 76 I 7.87 4.26 1.83 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 1.33 0.56 0.75 0.00 0.00 77 C 9.27 4.76 0.00 2.77 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 78 I 8.29 4.62 1.59 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 0.04 0.00 0.00 79 D 8.69 4.84 0.00 2.46 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 80 F 8.82 4.55 0.00 3.08 3.22 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 81 V 8.81 3.86 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 0.87 0.00 0.00 0.97 0.00 0.00 82 S 7.63 4.65 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.22 0.00 2.08 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 0.00 2.25 2.21 0.00 84 T 8.18 4.50 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 1.06 0.00 0.00 85 E 8.61 5.46 0.00 2.15 1.88 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 2.28 2.35 0.00 86 A 9.47 4.98 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.89 5.28 0.00 2.59 2.72 0.00 0.00 6.45 8.08 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 88 V 8.83 4.74 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 0.69 0.00 0.00 0.66 0.00 0.00 89 R 8.64 4.77 0.00 1.44 1.46 0.00 3.10 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 90 S 8.51 5.16 0.00 4.08 3.86 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 91 V 8.78 4.99 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 1.03 0.00 0.00 0.94 0.00 0.00 92 V 8.85 5.04 2.33 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 0.68 0.00 0.00 1.10 0.00 0.00 93 L 8.95 4.98 0.00 1.76 1.53 0.64 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.81 4.86 1.01 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 0.00 0.00 95 I 8.38 4.73 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.84 0.00 0.00 96 H 9.04 4.62 0.00 2.88 2.61 0.00 5.79 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.59 4.84 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.31 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 98 Y 8.45 4.87 0.00 3.12 2.80 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 0.00 0.00 0.00 0.00 99 T 8.82 3.97 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 1.21 0.00 0.00 100 K 8.12 4.03 0.00 1.68 1.69 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.31 7.81 101 E 8.59 4.21 0.00 1.99 1.79 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 2.23 1.86 0.00 102 R 7.99 4.64 0.00 1.80 1.80 0.00 2.68 0.00 0.00 2.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 103 P 0.00 4.51 0.00 2.27 2.10 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 104 D 8.77 4.75 0.00 2.65 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 0.00 105 G 8.99 4.88 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 0.00 106 I 8.91 4.87 1.74 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 1.04 0.84 0.19 0.00 0.00 107 L 8.60 4.46 0.00 0.63 1.17 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.51 4.96 0.00 2.84 2.80 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 0.00 0.00 0.00 0.00 109 G 9.20 4.40 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 0.00 110 Q 9.25 5.20 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 111 Y 8.91 5.22 0.00 2.83 2.96 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 0.00 112 F 9.70 5.00 0.00 3.00 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 0.00 113 D 9.36 5.54 0.00 2.52 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 0.00 114 T 9.03 4.99 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 0.00 115 V 8.94 4.96 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 0.42 0.00 0.00 0.70 0.00 0.00 116 V 9.02 5.09 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 0.73 0.00 0.00 0.98 0.00 0.00 117 K 8.07 4.18 0.00 0.79 0.86 0.00 1.03 0.00 0.00 1.27 0.00 0.00 2.43 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.73 0.21 7.81 118 V 8.18 4.17 2.00 0.00 0.00 0.00 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 0.85 0.00 0.00 119 D 9.80 4.44 0.00 2.72 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 0.00 120 G 8.35 3.84 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 0.00 0.00 0.00 121 Q 7.62 4.58 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 122 W 8.76 4.70 0.00 3.07 2.93 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 0.00 123 K 9.21 4.62 0.00 1.55 1.66 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.32 7.81 124 F 8.61 4.45 0.00 1.97 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 0.00 125 K 9.44 4.31 0.00 1.86 1.99 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 126 R 7.87 5.24 0.00 1.92 1.73 0.00 3.18 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 127 R 9.04 5.29 0.00 1.68 1.74 0.00 2.21 0.00 0.00 2.45 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.98 0.00 128 E 9.33 4.96 0.00 2.04 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 0.00 2.22 2.20 0.00 129 L 8.84 4.59 0.00 1.65 1.73 0.31 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 130 R 9.15 4.80 0.00 1.85 1.94 0.00 2.98 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 131 T 8.64 4.65 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 1.21 0.00 0.00 132 T 8.63 4.05 4.42 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 1.20 0.00 0.00 *134 T 7.73 4.42 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 1.05 0.00 0.00 135 T 8.53 4.59 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 1.30 0.00 0.00 136 D 8.97 4.58 0.00 3.10 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 0.00 137 Y 8.13 4.86 0.00 2.88 2.93 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 0.00 138 H 7.18 4.63 0.00 3.14 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 6.87 4.29 2.24 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 1.02 0.00 0.00 0.72 0.00 0.00 140 R 8.76 4.26 0.00 1.80 1.94 0.00 3.38 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 141 A 7.82 4.16 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 0.00 142 A 7.99 4.74 1.25 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 0.00 0.00 143 N 8.70 4.64 0.00 2.87 2.75 0.00 0.00 6.99 8.03 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 0.00 144 P 0.00 4.73 0.00 1.93 1.98 0.00 3.67 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 2.02 2.09 0.00 145 I 8.42 3.80 2.04 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 1.36 0.62 1.01 0.00 0.00 146 G 8.09 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 0.00 147 R 8.09 3.85 0.00 1.78 1.86 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 148 A 8.37 4.17 1.25 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 0.00 0.00 149 E 8.60 4.17 0.00 2.23 1.87 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 2.31 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.