NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.4075 8.3449 118.8384 56.0374 31.1870 176.1474 2 Q 4.2128 8.2080 118.2784 57.2311 29.8978 170.9501 3 V 5.2251 7.6448 116.8344 61.2241 35.5314 175.1485 4 R 4.7177 8.9764 122.3250 55.5134 32.9450 174.3592 5 Q 5.0319 8.3657 122.5521 54.8559 31.7839 174.3610 6 S 4.8528 7.8779 111.3053 57.4210 64.9851 174.9613 7 P 4.9341 0.0000 0.0000 62.4730 32.6099 176.8943 8 Q 4.2761 8.7788 118.3804 58.4861 29.7317 175.7011 9 S 5.1538 7.4380 113.0676 56.9784 67.1130 173.3771 10 L 4.5201 8.3239 122.4784 54.5195 45.7981 173.8311 11 T 5.7755 8.7128 121.6020 60.9870 72.2539 173.5403 12 V 4.5582 7.8129 122.2957 60.1504 35.1377 173.2942 13 W 4.7371 8.8292 122.6563 55.3980 30.3226 175.4443 14 E 4.0409 9.0508 124.5929 58.2980 29.3457 177.3860 15 G 4.0533 8.7704 112.6295 44.5713 0.0000 172.9397 16 E 4.4532 8.0785 119.2974 55.5268 32.2783 175.4432 17 T 4.8035 8.4784 118.2319 62.3865 69.8310 174.4897 18 A 4.6390 8.5804 129.1251 51.3941 20.7160 176.3894 19 I 4.7785 8.0082 119.8115 59.8726 40.7640 174.5503 20 L 4.7717 8.7603 127.9740 53.1048 43.7997 176.5498 21 N 5.2270 8.7280 121.3564 52.8055 41.1925 173.0224 22 C 5.2369 8.6519 117.1051 56.4203 47.6504 172.6335 23 S 5.3170 8.7985 118.6755 57.4702 66.4100 172.1485 24 Y 5.4931 8.0325 118.1800 56.1661 41.5125 174.9562 25 E 4.4882 9.1209 117.2646 56.2293 31.9301 176.0708 26 D 4.3943 7.7908 120.0777 52.3174 40.6146 176.5419 27 S 4.6442 8.5292 120.9629 60.0843 63.0808 174.9943 28 T 4.3094 7.8513 117.3635 64.2015 68.8862 175.1753 29 F 4.7475 8.0059 121.7191 58.1475 39.1171 174.5514 30 N 5.0320 9.0059 122.0375 51.8768 39.5870 173.5735 31 Y 4.7627 7.0237 120.8613 55.8113 42.5477 173.8102 32 F 5.3436 8.3591 124.4257 53.8989 41.6613 171.7645 33 P 4.6471 0.0000 0.0000 61.0102 33.8469 174.4616 34 W 5.1830 9.1410 122.3782 55.4090 31.5030 174.4369 35 Y 5.2050 9.1902 122.5396 56.3576 40.4636 174.5275 36 Q 4.7432 9.5982 125.4265 54.5478 31.2335 173.8255 37 Q 4.6646 8.8833 129.1362 54.3481 31.3784 174.1056 38 F 5.0458 8.5915 125.6788 55.2020 41.0688 173.6638 39 P 4.1453 0.0000 0.0000 63.8138 31.3051 174.1499 40 G 3.7827 8.5777 115.2047 45.4620 0.0000 173.1617 41 E 4.7248 7.6126 118.1372 53.0485 33.1331 175.5954 42 G 3.8943 8.5384 109.1785 45.2863 0.0000 171.3192 43 P 4.5508 0.0000 0.0000 62.2319 32.0631 176.0163 44 A 4.9676 8.5875 125.3674 49.5473 22.0816 175.2606 45 L 3.6020 8.7514 124.2393 55.9644 42.1159 175.6390 46 L 4.3882 9.0668 128.7408 56.1781 43.3964 176.1467 47 I 4.5180 7.2054 116.5847 59.9759 41.1900 172.6812 48 S 5.2536 8.6238 121.9860 56.8257 66.5985 172.5931 49 I 4.7549 8.1278 119.3257 59.6940 41.9229 173.7326 50 R 5.1948 8.4632 125.5704 54.3020 32.3805 177.6720 51 S 4.3046 9.0754 117.5446 61.2224 63.0189 176.6749 52 V 3.9790 7.8426 112.6359 62.7465 31.6036 175.4225 53 S 4.9370 8.2589 115.8999 56.7487 65.5945 173.1561 54 D 5.2069 8.3808 116.6430 52.9166 41.2851 174.9183 55 K 4.7965 7.8470 119.9826 55.2168 35.5610 174.7921 56 K 4.4893 8.8304 127.9701 54.8537 35.3003 174.3742 57 E 5.1039 8.7973 126.8544 54.5632 32.4158 175.4797 58 D 4.3332 9.0428 124.5947 53.3585 44.4693 176.6169 59 G 3.7782 9.0083 119.2054 47.2107 0.0000 174.6672 *61 R 4.5698 8.6514 125.6445 55.3159 32.5804 173.7132 62 F 5.4304 8.1614 118.3571 55.6010 41.9463 175.2719 63 T 5.0325 8.1042 117.6824 62.5243 72.9306 172.6064 64 I 4.6541 8.7479 128.2881 60.0214 39.4076 174.6869 65 F 5.0068 9.2732 125.7391 55.6004 41.3708 174.1828 66 F 5.1944 9.1643 126.4388 56.4948 41.9530 174.6868 67 N 4.6017 8.3009 124.6461 50.7080 38.7082 174.1441 68 K 3.4581 7.8409 124.7578 58.7204 32.9011 178.1825 69 R 3.9481 7.8819 117.9042 59.4023 30.0101 176.9178 70 E 4.1153 8.7621 113.9973 55.5515 30.3031 176.3081 71 K 3.2409 7.4973 117.4081 55.4464 29.9181 174.9536 72 K 4.8995 6.8811 116.4719 55.1396 37.2726 177.0962 73 L 6.1854 9.3442 123.0788 52.6239 46.7389 175.1736 74 S 4.9855 8.5656 112.2539 57.4829 66.3328 172.8441 75 L 4.7957 8.6404 123.7865 53.4881 44.7852 174.6369 76 H 5.0138 8.9920 123.3173 54.4594 31.1486 173.7841 77 I 3.7648 8.1995 126.6582 59.9578 36.1929 174.1330 78 T 4.5381 8.1987 120.2006 61.6137 68.1371 173.1691 79 D 4.4325 8.5022 126.3471 53.9123 38.5627 172.9299 80 S 4.4993 9.1455 118.6769 60.1245 64.0431 173.7053 81 Q 4.3842 7.8647 116.6425 55.4652 31.6783 171.8967 82 P 4.3918 0.0000 0.0000 65.6653 30.5411 174.6711 83 G 3.8393 8.8345 120.3111 46.3360 0.0000 173.4011 84 D 4.8435 7.7595 119.2020 55.9260 40.9774 176.6013 85 S 5.0261 8.2223 115.2620 58.6449 63.3453 173.6992 86 A 4.2006 8.0009 125.0256 52.3753 22.9880 174.0206 87 T 4.5829 7.7531 114.1545 62.5807 70.6238 174.1413 88 Y 5.2786 8.7085 123.8072 56.4777 40.6022 174.8253 89 F 5.0218 9.4237 123.5496 56.0237 42.1572 174.1838 90 C 3.9140 8.2167 119.9274 54.4601 42.1791 172.7135 91 A 5.1067 8.3623 127.1412 50.4611 22.3209 174.2536 92 A 4.9336 8.5506 119.4056 51.5189 23.1649 175.4769 93 R 4.3333 7.1028 114.2803 55.2068 33.0204 173.0898 94 Y 5.1319 7.6166 116.8785 54.6179 41.5269 174.7663 95 Q 3.9870 8.9495 121.6958 58.3567 29.2277 177.4754 96 G 4.0056 9.0444 113.2934 45.2678 0.0000 173.5978 97 G 3.1394 7.9728 110.1035 45.2004 0.0000 175.0733 *101 R 4.2633 8.7089 119.8405 55.7270 32.1550 175.5999 *103 A 4.2984 7.5678 117.4786 51.7921 19.5171 175.1067 104 L 4.2938 8.0154 121.3676 53.2060 43.7214 175.8217 105 I 4.0864 8.0978 128.5827 60.7282 38.3994 175.0315 106 F 5.0391 8.6981 125.6332 55.5651 40.9539 176.0452 107 G 4.0580 9.2915 110.9299 45.7720 0.0000 174.2849 108 T 4.3302 8.5395 107.5915 61.7193 68.7424 175.0260 109 G 3.5105 8.2578 108.7809 46.1392 0.0000 173.9511 110 T 4.6058 7.7147 116.2720 62.1572 72.5434 173.3192 111 T 4.5671 8.8495 124.8782 62.9754 70.1337 174.1946 112 V 4.8336 9.1903 126.4420 61.0676 34.7734 173.9709 113 S 4.7593 9.2694 122.6933 56.5884 65.0204 172.7475 114 V 5.0481 9.2658 129.2809 60.7502 31.6737 174.2685 115 S 4.4743 7.9808 123.2123 55.8733 63.9763 172.2483 116 P 4.5450 0.0000 0.0000 63.0026 31.0783 176.1060 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 Q 8.34 4.41 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 2 Q 8.21 4.21 0.00 2.29 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 3 V 7.64 5.23 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 1.01 0.00 0.00 1.15 0.00 0.00 4 R 8.98 4.72 0.00 1.96 2.05 0.00 2.83 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 5 Q 8.37 5.03 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 6 S 7.88 4.85 0.00 3.90 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 7 P 0.00 4.93 0.00 2.27 2.22 0.00 3.74 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 2.15 1.97 0.00 8 Q 8.78 4.28 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 9 S 7.44 5.15 0.00 3.69 3.74 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 10 L 8.32 4.52 0.00 1.72 1.47 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.71 5.78 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 1.04 0.00 0.00 12 V 7.81 4.56 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 0.67 0.00 0.00 0.97 0.00 0.00 13 W 8.83 4.74 0.00 3.32 3.19 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 0.00 14 E 9.05 4.04 0.00 1.98 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 0.00 2.37 2.39 0.00 15 G 8.77 4.05 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 0.00 0.00 0.00 16 E 8.08 4.45 0.00 2.31 1.92 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 2.35 2.55 0.00 17 T 8.48 4.80 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 1.11 0.00 0.00 18 A 8.58 4.64 1.18 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 0.00 0.00 19 I 8.01 4.78 1.75 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.47 0.77 0.00 0.00 20 L 8.76 4.77 0.00 1.77 1.71 0.85 0.49 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 21 N 8.73 5.23 0.00 2.94 2.81 0.00 0.00 6.10 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 22 C 8.65 5.24 0.00 3.16 3.30 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 23 S 8.80 5.32 0.00 3.96 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 24 Y 8.03 5.49 0.00 3.52 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 25 E 9.12 4.49 0.00 1.94 2.01 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 2.29 2.39 0.00 26 D 7.79 4.39 0.00 2.20 1.54 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 27 S 8.53 4.64 0.00 4.10 4.05 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 28 T 7.85 4.31 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 1.16 0.00 0.00 29 F 8.01 4.75 0.00 2.89 2.32 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 30 N 9.01 5.03 0.00 2.78 3.07 0.00 0.00 6.22 7.88 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 31 Y 7.02 4.76 0.00 2.79 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 32 F 8.36 5.34 0.00 2.88 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 33 P 0.00 4.65 0.00 1.78 1.77 0.00 3.33 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 34 W 9.14 5.18 0.00 3.44 3.30 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 35 Y 9.19 5.21 0.00 3.16 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 36 Q 9.60 4.74 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 37 Q 8.88 4.66 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 38 F 8.59 5.05 0.00 3.24 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 39 P 0.00 4.15 0.00 2.20 2.14 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 40 G 8.58 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 0.00 0.00 0.00 41 E 7.61 4.72 0.00 1.90 1.86 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 2.26 2.29 0.00 42 G 8.54 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 0.00 0.00 0.00 43 P 0.00 4.55 0.00 1.55 1.70 0.00 3.43 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 44 A 8.59 4.97 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 L 8.75 3.60 0.00 1.27 1.48 0.67 0.89 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 46 L 9.07 4.39 0.00 1.62 1.90 -0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.21 4.52 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.83 0.00 0.00 48 S 8.62 5.25 0.00 3.54 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 49 I 8.13 4.75 1.88 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 1.21 1.38 0.85 0.00 0.00 50 R 8.46 5.19 0.00 1.84 1.86 0.00 3.19 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 51 S 9.08 4.30 0.00 4.30 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 52 V 7.84 3.98 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 0.78 0.00 0.00 0.97 0.00 0.00 53 S 8.26 4.94 0.00 3.92 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 54 D 8.38 5.21 0.00 2.90 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 55 K 7.85 4.80 0.00 1.64 1.53 0.00 1.57 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.70 1.04 7.81 56 K 8.83 4.49 0.00 1.76 1.55 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.83 7.81 57 E 8.80 5.10 0.00 1.79 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 2.16 2.16 0.00 58 D 9.04 4.33 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.01 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 0.00 0.00 0.00 *61 R 8.65 4.57 0.00 1.39 1.78 0.00 3.65 0.00 0.00 3.36 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 62 F 8.16 5.43 0.00 3.00 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 63 T 8.10 5.03 4.29 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 0.89 0.00 0.00 64 I 8.75 4.65 1.82 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 0.87 0.46 1.01 0.00 0.00 65 F 9.27 5.01 0.00 2.86 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 66 F 9.16 5.19 0.00 2.96 2.99 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 67 N 8.30 4.60 0.00 2.66 2.54 0.00 0.00 6.48 5.54 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 68 K 7.84 3.46 0.00 1.81 1.76 0.00 1.93 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 69 R 7.88 3.95 0.00 1.76 2.07 0.00 3.26 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 70 E 8.76 4.12 0.00 1.96 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 2.24 2.20 0.00 71 K 7.50 3.24 0.00 1.57 0.82 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.18 7.81 72 K 6.88 4.90 0.00 1.56 1.61 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81 73 L 9.34 6.19 0.00 1.97 2.04 1.13 0.61 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 74 S 8.57 4.99 0.00 4.03 3.98 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 75 L 8.64 4.80 0.00 0.27 0.61 0.56 0.59 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 76 H 8.99 5.01 0.00 3.23 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.20 3.76 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.69 0.58 0.00 0.00 78 T 8.20 4.54 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 1.18 0.00 0.00 79 D 8.50 4.43 0.00 2.91 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 80 S 9.15 4.50 0.00 3.74 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 81 Q 7.86 4.38 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.10 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 82 P 0.00 4.39 0.00 2.20 2.13 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 83 G 8.83 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 84 D 7.76 4.84 0.00 2.99 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 85 S 8.22 5.03 0.00 3.90 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 86 A 8.00 4.20 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 87 T 7.75 4.58 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 0.59 0.00 0.00 88 Y 8.71 5.28 0.00 3.12 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 89 F 9.42 5.02 0.00 3.19 3.14 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 90 C 8.22 3.91 0.00 1.23 2.45 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 91 A 8.36 5.11 0.66 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 0.00 0.00 92 A 8.55 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.10 4.33 0.00 1.49 1.62 0.00 2.75 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 94 Y 7.62 5.13 0.00 3.08 3.33 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 95 Q 8.95 3.99 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 96 G 9.04 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 97 G 7.97 3.14 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 *101 R 8.71 4.26 0.00 1.85 1.98 0.00 3.57 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 *103 A 7.57 4.30 1.18 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 0.00 0.00 104 L 8.02 4.29 0.00 1.40 1.32 0.58 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.10 4.09 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.97 0.00 0.00 106 F 8.70 5.04 0.00 2.82 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 0.00 107 G 9.29 4.06 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 0.00 0.00 0.00 108 T 8.54 4.33 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 1.27 0.00 0.00 109 G 8.26 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 0.00 0.00 0.00 110 T 7.71 4.61 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 1.36 0.00 0.00 111 T 8.85 4.57 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 1.17 0.00 0.00 112 V 9.19 4.83 2.53 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 1.08 0.00 0.00 1.08 0.00 0.00 113 S 9.27 4.76 0.00 3.85 3.62 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 0.00 114 V 9.27 5.05 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 1.12 0.00 0.00 0.97 0.00 0.00 115 S 7.98 4.47 0.00 3.64 3.11 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 0.00 0.00 0.00 116 P 0.00 4.54 0.00 2.13 2.13 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.