NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4716 8.1749 117.3734 63.7311 70.0664 173.0672 2 T 4.5612 9.0070 120.7248 60.1604 72.1170 171.4622 3 I 5.1250 9.2675 120.9735 59.2381 41.1817 174.6854 4 V 4.6603 8.9124 116.9143 59.8074 36.4657 174.5188 5 G 4.5384 8.5182 107.9810 44.7934 0.0000 172.3916 6 V 4.5973 8.9946 123.5334 61.2211 35.0601 174.1077 7 K 4.8120 8.8204 127.5965 55.7602 33.3885 176.0719 8 F 5.0974 8.5438 117.9184 54.6300 41.2237 175.6506 9 N 4.1505 8.8523 118.7372 55.7337 37.0225 175.0394 10 N 4.9262 8.4733 114.4354 51.5439 40.3460 174.4303 11 G 3.4989 5.9321 103.9430 45.3003 0.0000 172.4008 12 V 4.9933 7.7451 118.7124 60.1546 34.8149 175.1098 13 V 4.8180 9.0144 121.0234 60.0847 34.9494 174.3179 14 I 5.2307 8.3296 114.5004 59.4438 40.7527 173.8298 15 A 4.9193 8.7733 124.6563 50.8636 23.1285 174.3654 16 A 5.5982 8.4393 118.4271 52.0228 22.1708 175.9090 17 D 4.7475 8.6425 120.0742 52.8246 41.1715 176.0971 18 T 4.7859 8.1865 105.0255 60.6350 70.1220 173.4129 19 R 4.5609 8.1392 122.3458 56.2077 31.2578 175.5698 20 S 4.9388 8.8840 120.2296 56.7018 65.5128 172.7031 21 T 5.1639 8.5074 115.4925 60.1629 72.3092 173.4004 22 Q 4.3521 9.0375 123.1089 53.8027 30.5898 176.0130 23 G 3.6655 8.7478 116.8242 46.5855 0.0000 171.2616 24 P 4.6843 0.0000 0.0000 62.2841 31.5906 175.1496 25 I 4.2844 7.6739 120.6168 59.8885 38.6548 175.0864 26 V 4.2644 8.2167 124.4328 61.9097 31.5435 175.4859 27 A 4.1295 8.7788 131.4673 54.2361 18.9559 176.8422 28 D 4.8330 7.7993 115.7822 52.4292 43.1018 176.1766 29 K 4.2643 8.7039 125.5174 58.0998 33.1119 176.8359 30 N 5.2922 8.3009 117.6493 52.3913 37.7579 173.2077 31 C 4.6550 8.9715 117.2484 57.9158 32.5707 173.9752 32 A 4.8586 8.4542 121.2751 50.5956 19.9029 176.7827 33 K 4.3569 8.8099 121.1115 56.5982 34.0381 175.9385 34 L 4.9175 7.7350 120.9091 53.7991 42.6264 175.7030 35 H 4.9728 9.7311 121.7124 53.5974 32.8564 173.5420 36 R 3.0366 7.8770 122.1414 55.9034 30.6030 175.7991 37 I 4.1474 7.9847 124.7548 62.2934 39.1656 175.6824 38 S 4.6073 7.2294 112.2371 55.8459 66.1014 172.6470 39 P 4.3130 0.0000 0.0000 65.3516 31.1989 177.8104 40 K 4.6807 7.9695 113.5923 55.9759 32.4501 175.3930 41 I 4.6165 7.8326 120.5275 59.6313 39.6598 174.9894 42 W 4.9991 9.1516 127.4897 55.4374 32.0310 175.0186 43 C 5.3512 9.3202 120.5848 58.0023 34.9551 172.2380 44 A 5.2385 9.4294 127.8676 50.1698 21.1211 175.6191 45 G 4.6168 8.7287 108.8168 44.4916 0.0000 172.1509 46 A 4.7876 9.3435 122.5227 49.9550 23.0768 175.9648 47 G 4.1024 9.0492 103.8247 44.8413 0.0000 176.8634 48 T 4.1325 9.5334 125.1929 62.5086 67.9113 174.7943 49 A 3.9985 8.9567 129.5512 55.5082 18.2189 178.8835 50 A 3.9703 7.9913 118.3102 55.3220 17.9746 179.5126 51 D 4.2612 7.9214 117.2285 57.5683 41.0288 178.8666 52 T 3.8676 8.0410 110.3821 64.7997 68.8629 176.1413 53 E 3.8411 8.2389 122.2872 58.8190 29.8189 178.6543 54 A 3.9852 8.3521 121.4959 55.0629 18.4059 179.9914 55 V 3.5675 7.9901 117.8064 65.0573 31.5975 178.8647 56 T 3.8395 8.0266 116.4766 66.5347 68.1706 176.6638 57 Q 3.9888 7.9431 119.5038 58.3163 28.7489 178.3570 58 L 3.8617 7.6858 121.0547 58.3725 42.2289 179.1822 59 I 3.8099 7.7607 119.9046 64.1068 36.9183 178.6956 60 G 3.5668 8.0417 106.7837 47.7001 0.0000 175.6330 61 S 4.0562 8.2489 115.8303 61.3659 62.4025 176.1287 62 N 4.3826 8.1895 119.0601 56.2659 38.1695 177.5286 63 I 3.7043 8.2048 121.8316 64.1566 37.0906 178.0638 64 E 3.9128 8.3617 120.2278 59.4056 29.5647 178.8701 65 L 4.0065 7.9380 119.0161 57.9534 41.5262 179.1347 66 H 4.1033 8.5672 118.6259 59.1920 29.8274 176.9890 67 S 4.2207 8.4678 115.3945 61.6537 61.9641 176.0788 68 L 3.9842 7.8697 120.0051 58.1876 41.4889 178.7458 69 Y 4.0868 8.0683 118.3135 60.2245 37.8726 177.1053 70 T 4.3555 8.4903 109.0959 60.7987 69.3279 175.1304 71 S 3.6881 8.2130 116.7494 59.8392 60.9869 171.7391 72 R 4.7789 7.2057 113.9367 53.9495 33.7437 175.3749 73 E 4.2353 8.4770 118.6200 55.5333 30.1480 175.6445 74 P 4.4594 0.0000 0.0000 62.6722 32.3433 176.1085 75 R 4.8098 8.1449 120.0860 54.3248 32.6452 177.5454 76 V 3.5911 8.9221 121.3165 66.4045 31.5398 179.1072 77 V 3.6556 7.8226 111.3338 64.1781 31.3100 178.6710 78 S 4.0858 7.9627 115.0851 61.4434 62.8282 176.3399 79 A 3.9952 7.9318 122.9382 54.9898 18.0705 179.3346 80 L 3.9159 8.1089 119.0829 58.3477 42.2814 178.9833 81 Q 3.9823 8.1979 119.5303 59.1877 28.8353 178.0176 82 M 4.1047 8.1431 119.9770 58.0410 31.9826 178.6764 83 L 3.9915 8.0100 119.3770 57.7192 41.7845 179.7548 84 K 4.0286 8.1917 118.8035 60.1806 32.2351 179.2319 85 Q 4.0411 8.0896 118.6214 58.4715 28.3230 178.1793 86 H 4.3484 7.9136 118.7175 59.2790 30.1840 176.9358 87 L 4.1828 8.2708 121.0740 57.7798 41.4548 179.2490 88 F 3.9919 8.6428 120.9476 61.0578 39.0747 176.8371 89 K 3.7979 7.6640 118.0289 59.6214 32.0527 177.2937 90 Y 4.1863 7.6650 115.2898 56.9880 38.1557 175.7469 91 Q 2.9316 7.6887 118.0037 56.8880 25.6330 175.9193 *93 G 4.0032 7.7619 104.2515 45.3770 0.0000 174.7653 94 H 4.1541 8.7843 117.5441 57.4538 28.8804 175.5340 95 I 4.3170 6.3703 119.4936 58.8217 37.0171 177.1006 96 G 4.0689 8.5623 118.8094 45.7624 0.0000 171.2272 97 A 5.0844 7.4380 119.8405 50.4801 21.4985 177.6937 98 Y 4.5563 8.7419 119.1261 56.1871 41.3772 174.7399 99 L 5.3925 8.6926 123.1971 52.9698 46.2152 176.1485 100 I 4.5370 8.9214 123.5216 59.7429 39.2269 174.8719 101 V 4.9454 8.4896 126.9671 59.8603 33.3068 174.9120 102 A 4.7899 9.5094 125.7341 49.6816 23.3600 175.0928 103 G 4.1277 7.5957 107.1986 46.0088 0.0000 172.1791 104 V 4.5657 7.9197 112.1190 59.6229 34.8032 176.0659 105 D 4.2615 8.4189 121.0889 53.9301 38.9419 175.0520 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 4.47 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 1.23 0.00 0.00 2 T 9.01 4.56 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 3 I 9.27 5.12 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.94 0.00 0.00 4 V 8.91 4.66 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 0.69 0.00 0.00 0.95 0.00 0.00 5 G 8.52 4.54 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 0.00 0.00 0.00 6 V 8.99 4.60 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 1.07 0.00 0.00 0.96 0.00 0.00 7 K 8.82 4.81 0.00 1.68 1.66 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.36 7.81 8 F 8.54 5.10 0.00 3.15 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 9 N 8.85 4.15 0.00 2.89 3.10 0.00 0.00 5.75 8.04 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 10 N 8.47 4.93 0.00 2.72 2.99 0.00 0.00 6.80 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 11 G 5.93 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.99 1.99 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 0.76 0.00 0.00 1.01 0.00 0.00 13 V 9.01 4.82 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 1.16 0.00 0.00 0.94 0.00 0.00 14 I 8.33 5.23 1.92 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 1.31 0.77 0.97 0.00 0.00 15 A 8.77 4.92 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 16 A 8.44 5.60 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 17 D 8.64 4.75 0.00 2.70 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 T 8.19 4.79 4.31 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 1.22 0.00 0.00 19 R 8.14 4.56 0.00 1.89 2.06 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 20 S 8.88 4.94 0.00 3.93 3.73 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 21 T 8.51 5.16 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 1.21 0.00 0.00 22 Q 9.04 4.35 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.80 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 G 8.75 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 0.00 0.00 0.00 24 P 0.00 4.68 0.00 2.18 2.14 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 25 I 7.67 4.28 1.99 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 1.18 0.99 0.91 0.00 0.00 26 V 8.22 4.26 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 0.84 0.00 0.00 0.93 0.00 0.00 27 A 8.78 4.13 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 28 D 7.80 4.83 0.00 2.68 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 29 K 8.70 4.26 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.30 5.29 0.00 2.71 2.69 0.00 0.00 7.18 7.67 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 31 C 8.97 4.66 0.00 3.05 3.16 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 0.00 0.00 0.00 32 A 8.45 4.86 1.26 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 33 K 8.81 4.36 0.00 1.73 1.86 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 34 L 7.74 4.92 0.00 1.58 1.87 0.98 1.01 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 35 H 9.73 4.97 0.00 2.96 3.02 0.00 5.61 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 36 R 7.88 3.04 0.00 0.67 1.09 0.00 3.06 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.17 0.00 37 I 7.98 4.15 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.85 0.00 0.00 38 S 7.23 4.61 0.00 3.93 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 39 P 0.00 4.31 0.00 2.12 2.26 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 40 K 7.97 4.68 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.46 7.81 41 I 7.83 4.62 1.87 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 1.27 0.83 0.99 0.00 0.00 42 W 9.15 5.00 0.00 3.35 3.27 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 43 C 9.32 5.35 0.00 2.95 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 44 A 9.43 5.24 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 45 G 8.73 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.34 4.79 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 47 G 9.05 4.10 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 0.00 48 T 9.53 4.13 4.37 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 1.26 0.00 0.00 49 A 8.96 4.00 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 7.99 3.97 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 51 D 7.92 4.26 0.00 2.92 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 52 T 8.04 3.87 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 1.39 0.00 0.00 53 E 8.24 3.84 0.00 2.16 2.18 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 2.26 2.30 0.00 54 A 8.35 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 55 V 7.99 3.57 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 0.82 0.00 0.00 0.88 0.00 0.00 56 T 8.03 3.84 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 1.14 0.00 0.00 57 Q 7.94 3.99 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 58 L 7.69 3.86 0.00 1.82 1.69 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.76 3.81 1.95 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 1.41 0.23 0.87 0.00 0.00 60 G 8.04 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.25 4.06 0.00 3.92 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 62 N 8.19 4.38 0.00 2.88 2.83 0.00 0.00 7.10 6.62 0.00 0.00 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 I 8.20 3.70 2.07 0.00 0.00 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 1.50 0.86 0.90 0.00 0.00 64 E 8.36 3.91 0.00 2.01 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 2.31 2.35 0.00 65 L 7.94 4.01 0.00 1.91 1.73 0.92 1.03 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 H 8.57 4.10 0.00 3.25 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.47 4.22 0.00 4.00 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 68 L 7.87 3.98 0.00 1.95 1.77 0.93 0.86 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 69 Y 8.07 4.09 0.00 3.07 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 70 T 8.49 4.36 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 1.20 0.00 0.00 71 S 8.21 3.69 0.00 4.03 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 72 R 7.21 4.78 0.00 1.75 1.82 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 73 E 8.48 4.24 0.00 1.98 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 0.00 2.33 2.29 0.00 74 P 0.00 4.46 0.00 2.05 1.99 0.00 3.67 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 2.03 2.13 0.00 75 R 8.14 4.81 0.00 1.85 1.81 0.00 3.14 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.92 3.59 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 1.04 0.00 0.00 1.06 0.00 0.00 77 V 7.82 3.66 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 0.87 0.00 0.00 0.92 0.00 0.00 78 S 7.96 4.09 0.00 4.02 3.79 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 79 A 7.93 4.00 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 80 L 8.11 3.92 0.00 1.89 1.84 0.93 0.53 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 81 Q 8.20 3.98 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.14 4.10 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 83 L 8.01 3.99 0.00 1.87 1.72 0.93 0.78 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 84 K 8.19 4.03 0.00 2.01 2.14 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.48 7.81 85 Q 8.09 4.04 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 86 H 7.91 4.35 0.00 3.22 3.61 0.00 5.95 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 87 L 8.27 4.18 0.00 1.77 1.70 0.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.64 3.99 0.00 3.26 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 89 K 7.66 3.80 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.91 1.32 7.81 90 Y 7.66 4.19 0.00 2.97 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 91 Q 7.69 2.93 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 *93 G 7.76 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 0.00 0.00 0.00 94 H 8.78 4.15 0.00 3.32 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.37 4.32 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.93 0.89 0.00 0.00 96 G 8.56 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 97 A 7.44 5.08 1.16 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 0.00 0.00 0.00 0.00 0.00 98 Y 8.74 4.56 0.00 3.15 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 99 L 8.69 5.39 0.00 1.50 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.92 4.54 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.95 0.00 0.00 101 V 8.49 4.95 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.51 4.79 1.26 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 0.00 103 G 7.60 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 0.00 104 V 7.92 4.57 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 0.73 0.00 0.00 0.96 0.00 0.00 105 D 8.42 4.26 0.00 2.78 2.67 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 * Residues marked with a * may have inaccurate shift predictions.