NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3683 8.2027 119.6950 55.7625 29.3265 174.9952 2 Q 4.0613 8.6337 126.1908 57.7948 30.4418 170.7090 3 V 5.0661 7.6986 111.3424 59.3008 35.2718 175.1129 4 R 5.1003 9.9370 122.2622 53.2183 32.5889 174.3508 5 Q 5.1188 8.6657 118.5401 54.7793 32.1182 174.1608 6 S 4.7877 8.7093 114.1424 56.2727 66.4625 173.1947 7 P 4.4740 0.0000 0.0000 62.7385 32.5856 175.2961 8 Q 4.6171 8.3242 113.9493 56.0216 31.3869 175.5638 9 S 4.8126 7.8310 113.3108 57.8969 65.8591 174.0901 10 L 4.7596 8.9966 126.8182 54.0191 42.9532 175.4775 11 T 5.2565 8.5408 120.1826 61.6797 69.7848 174.2476 12 V 4.4912 9.3239 126.4733 59.3600 35.2295 175.3051 13 W 4.0074 8.6734 122.6471 56.5045 29.7073 175.2929 14 E 4.2109 8.9287 122.7085 57.2819 29.7220 176.0740 15 G 4.1300 8.9722 115.1978 46.0746 0.0000 174.3409 16 E 4.2943 8.0811 119.0520 56.6829 30.8248 176.2802 17 T 4.9909 8.5827 118.1719 62.1439 70.6990 174.2444 18 A 4.7918 8.3088 125.7550 50.1370 22.2531 175.2549 19 I 4.9017 8.3516 121.6646 59.5557 39.8419 174.8260 20 L 4.7653 9.7446 128.1982 53.1791 43.9126 175.9415 21 N 5.4576 9.1438 121.4166 52.3605 41.8267 172.9160 22 C 5.4527 9.2425 118.1551 56.3644 46.0849 172.6892 23 S 5.3053 9.2312 118.5687 57.1546 66.0393 172.3168 24 Y 5.3475 8.0966 118.7343 55.6130 40.6779 175.5820 25 E 4.1785 8.9611 121.2808 57.7397 31.1002 175.6708 26 D 4.7022 9.0783 120.1885 52.6982 40.0935 176.5811 27 S 4.4011 8.4076 121.2722 61.1561 63.8471 176.4400 28 T 4.8017 7.7861 117.3768 62.4435 68.6720 174.1098 29 F 4.6380 8.0452 120.2919 57.2651 40.1660 175.8686 30 N 5.0554 9.2329 121.5271 52.6419 40.2430 173.3185 31 Y 4.7523 7.3803 121.1117 55.6245 41.5115 174.5677 32 F 5.5055 8.5832 125.7551 53.9316 39.2333 171.4030 33 P 4.7118 0.0000 0.0000 61.8726 33.2933 176.0451 34 W 5.4486 9.8678 123.6214 55.7988 32.0415 174.6312 35 Y 5.2063 9.3747 118.0941 56.5682 42.3671 174.0377 36 Q 4.4994 8.9374 122.5575 54.2746 32.5776 174.3429 37 Q 4.5470 8.0138 126.3348 54.5716 32.2493 173.4878 38 F 4.6500 8.9082 125.8585 56.0525 40.8290 173.4849 39 P 4.0585 0.0000 0.0000 63.0073 31.4640 176.4469 40 G 3.9625 8.9930 110.2499 45.8965 0.0000 172.7432 41 E 4.8075 8.2617 118.2959 53.5848 32.9535 176.1276 42 G 3.7607 8.5179 109.6455 44.9858 0.0000 171.7733 43 P 4.5499 0.0000 0.0000 62.9705 32.1835 175.4136 44 A 4.7777 9.6982 127.4415 49.6174 21.3554 175.0652 45 L 2.8296 8.1193 124.2758 55.8756 42.1204 175.2571 46 L 4.5135 8.3661 125.3231 56.0532 43.7165 175.8795 47 I 4.8228 7.4083 117.2341 59.8871 41.6095 172.6885 48 S 5.2527 8.4994 119.7771 57.1723 66.7137 173.1275 49 I 4.5595 8.2676 120.8226 59.5902 41.0494 174.8046 50 R 4.5571 8.7722 128.6224 56.2257 30.4190 176.9862 51 S 3.8558 8.6407 115.4795 60.4117 63.6670 175.6862 52 V 4.0710 7.3696 121.8645 59.6025 29.8184 175.0674 53 S 4.7471 7.2585 113.5080 58.2455 66.6462 177.1361 54 D 5.1555 8.3297 123.5783 55.5467 42.2136 176.2290 55 K 4.9323 7.9585 115.6829 54.7415 36.7372 175.8147 56 K 4.5716 8.9239 123.5640 55.1702 35.7046 174.4939 57 E 5.2509 8.6498 126.9804 53.7963 33.3821 175.4070 58 D 4.4615 9.2454 124.8794 53.2782 44.1258 178.4921 59 G 3.7103 8.7469 115.6503 46.6127 0.0000 174.0839 *61 R 4.1615 8.7110 126.1196 55.2264 32.9458 173.9819 62 F 5.2209 8.4113 118.5150 56.5957 41.0478 175.5006 63 T 5.5134 8.5625 118.8367 62.8516 73.2985 172.7000 64 I 5.2873 8.1012 126.5792 59.1583 39.8326 174.4930 65 F 5.2897 8.7891 123.7015 55.6954 42.2337 173.5894 66 F 4.9904 10.0953 127.2263 55.6292 41.7278 175.1745 67 N 4.7588 7.8520 124.2167 55.5294 38.2272 175.5776 68 K 4.2168 6.3369 120.5955 59.0858 34.4237 177.2408 69 R 3.8659 7.9728 119.2660 59.7519 30.1912 177.6113 70 E 4.0020 8.1502 115.0758 56.0391 29.9193 176.3208 71 K 3.1981 7.8042 116.3306 57.0501 30.0774 174.3189 72 K 4.9169 7.2258 117.7848 54.6482 35.6495 174.3929 73 L 4.9739 8.9438 125.0940 54.8039 44.3066 174.4892 74 S 5.4095 9.1139 114.4541 56.9138 66.7737 172.4029 75 L 4.6730 10.2270 123.8007 53.4609 44.2164 174.4887 76 H 5.7687 8.9414 122.9494 53.6014 30.6851 174.5290 77 I 4.6836 7.9484 125.1605 59.3042 35.7544 175.7955 78 T 3.5937 7.9801 120.1587 63.6907 68.2460 173.1465 79 D 4.7293 7.5496 119.1895 52.5135 44.2047 174.7115 80 S 4.9640 8.6250 122.1472 57.4419 64.9739 173.3696 81 Q 4.9037 10.2583 123.1657 53.2642 32.4735 174.6515 82 P 4.4958 0.0000 0.0000 65.8406 31.5598 179.1224 83 G 3.6939 8.1083 105.7371 48.2580 0.0000 174.1391 84 D 4.8853 8.5256 118.7474 55.8993 41.2024 176.8041 85 S 4.5344 8.0235 116.5681 58.2294 63.2205 174.0821 86 A 3.9912 7.3509 124.3276 52.5991 24.6900 174.0963 87 T 4.4020 6.9949 113.0757 62.1540 70.7080 173.8214 88 Y 5.4825 8.0833 123.9279 55.7857 39.8488 174.7715 89 F 4.8495 8.6131 123.7730 56.6044 41.0855 176.0634 90 C 3.8081 8.5412 121.7718 56.0201 39.4309 172.0344 91 A 4.8405 7.4668 124.2899 51.0872 22.8802 174.9280 92 A 4.1613 7.5433 119.1984 50.2922 23.2258 175.4718 93 R 4.6988 7.7019 119.6232 54.3357 33.6934 174.2007 94 Y 4.6366 8.5954 124.0375 57.7163 39.1941 175.3817 95 Q 4.0908 8.1833 124.8084 57.8307 29.4785 176.7065 96 G 3.9936 9.0346 113.7706 44.9356 0.0000 173.8374 97 G 3.6859 8.1489 109.5095 45.9202 0.0000 174.9083 *101 R 4.4525 8.6323 117.9036 55.7995 31.9392 175.1168 *103 A 4.6237 7.4816 119.2118 52.0472 19.6452 175.2293 104 L 4.4872 7.9936 118.1458 53.0169 43.8789 176.7185 105 I 4.0961 7.9257 125.3734 59.9932 38.4216 174.7486 106 F 4.8035 8.5406 126.5081 55.8947 40.3317 177.0064 107 G 4.0575 8.8179 111.5482 46.6284 0.0000 172.9870 108 T 4.3530 8.7949 108.3343 61.1289 69.5854 173.5793 109 G 4.0242 8.2059 113.5993 45.2689 0.0000 172.7529 110 T 4.6194 8.0805 117.1616 61.9314 71.6004 173.8974 111 T 4.4426 8.5681 123.1502 62.1921 69.3809 173.8438 112 V 4.5180 8.2400 127.7084 62.1409 33.2564 174.6522 113 S 4.8628 9.8245 123.0813 56.4045 65.3328 172.4478 114 V 4.7929 8.8409 127.1419 62.1303 33.2039 175.2399 115 S 4.6165 10.1044 121.9764 57.9325 61.6847 166.9126 116 P 4.2920 0.0000 0.0000 62.3446 31.5289 177.0691 117 G 3.8897 8.1097 105.5998 45.2047 0.0000 174.0487 118 S 3.1193 8.6158 115.0025 59.7102 62.5953 170.2264 119 A 3.4302 8.3662 117.3493 53.2705 14.2940 177.5726 120 D 4.5335 7.7464 122.9164 53.6070 41.4109 175.7112 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 8.20 4.37 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 2 Q 8.63 4.06 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.83 0.00 0.00 0.00 0.00 0.00 2.72 3.07 0.00 3 V 7.70 5.07 1.97 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 0.47 0.00 0.00 0.92 0.00 0.00 4 R 9.94 5.10 0.00 1.79 2.00 0.00 3.01 0.00 0.00 3.35 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 5 Q 8.67 5.12 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 6 S 8.71 4.79 0.00 3.91 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 7 P 0.00 4.47 0.00 2.24 2.11 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 2.01 2.00 0.00 8 Q 8.32 4.62 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 9 S 7.83 4.81 0.00 3.70 3.75 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 10 L 9.00 4.76 0.00 1.67 1.74 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.54 5.26 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 1.04 0.00 0.00 12 V 9.32 4.49 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 0.83 0.00 0.00 0.94 0.00 0.00 13 W 8.67 4.01 0.00 3.46 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 14 E 8.93 4.21 0.00 2.02 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 2.34 2.43 0.00 15 G 8.97 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 16 E 8.08 4.29 0.00 2.30 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 2.43 2.56 0.00 17 T 8.58 4.99 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 1.09 0.00 0.00 18 A 8.31 4.79 1.11 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 0.00 0.00 19 I 8.35 4.90 1.89 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 1.40 0.74 1.01 0.00 0.00 20 L 9.74 4.77 0.00 1.43 1.84 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 N 9.14 5.46 0.00 2.86 2.79 0.00 0.00 6.07 7.60 0.00 0.00 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 9.24 5.45 0.00 2.86 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 23 S 9.23 5.31 0.00 3.80 3.82 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 24 Y 8.10 5.35 0.00 3.29 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 25 E 8.96 4.18 0.00 2.05 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 0.00 2.29 2.31 0.00 26 D 9.08 4.70 0.00 3.05 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 0.00 0.00 0.00 27 S 8.41 4.40 0.00 4.14 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 28 T 7.79 4.80 4.33 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 1.34 0.00 0.00 29 F 8.05 4.64 0.00 2.83 2.36 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 0.00 30 N 9.23 5.06 0.00 2.79 3.11 0.00 0.00 6.17 7.27 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 31 Y 7.38 4.75 0.00 2.87 2.59 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 32 F 8.58 5.51 0.00 2.98 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 33 P 0.00 4.71 0.00 2.27 1.89 0.00 3.10 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.09 0.00 34 W 9.87 5.45 0.00 3.23 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 35 Y 9.37 5.21 0.00 3.09 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 36 Q 8.94 4.50 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 37 Q 8.01 4.55 0.00 2.20 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 38 F 8.91 4.65 0.00 3.32 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 39 P 0.00 4.06 0.00 2.10 2.01 0.00 4.03 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 40 G 8.99 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 41 E 8.26 4.81 0.00 1.99 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 2.28 2.65 0.00 42 G 8.52 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 43 P 0.00 4.55 0.00 1.94 2.00 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.09 0.00 44 A 9.70 4.78 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 45 L 8.12 2.83 0.00 0.27 1.16 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.37 4.51 0.00 1.60 1.60 0.59 0.75 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 7.41 4.82 1.84 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 1.43 1.11 0.88 0.00 0.00 48 S 8.50 5.25 0.00 3.96 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 49 I 8.27 4.56 1.90 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 0.94 1.25 0.97 0.00 0.00 50 R 8.77 4.56 0.00 1.75 1.89 0.00 3.41 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 51 S 8.64 3.86 0.00 4.26 4.53 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 52 V 7.37 4.07 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 0.87 0.00 0.00 1.00 0.00 0.00 53 S 7.26 4.75 0.00 3.84 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 54 D 8.33 5.16 0.00 2.77 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 55 K 7.96 4.93 0.00 1.55 1.58 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 56 K 8.92 4.57 0.00 1.73 1.57 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.64 7.81 57 E 8.65 5.25 0.00 1.88 1.71 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 2.15 2.11 0.00 58 D 9.25 4.46 0.00 2.77 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 59 G 8.75 3.71 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 0.00 0.00 0.00 *61 R 8.71 4.16 0.00 1.21 1.39 0.00 3.07 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 62 F 8.41 5.22 0.00 2.96 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 63 T 8.56 5.51 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 0.33 0.00 0.00 64 I 8.10 5.29 1.88 0.00 0.00 1.00 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 0.31 1.19 0.00 0.00 65 F 8.79 5.29 0.00 2.90 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 66 F 10.10 4.99 0.00 2.90 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 67 N 7.85 4.76 0.00 2.37 2.47 0.00 0.00 6.64 5.89 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 68 K 6.34 4.22 0.00 2.22 1.76 0.00 2.04 0.00 0.00 2.10 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.72 7.81 69 R 7.97 3.87 0.00 1.79 1.98 0.00 3.33 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 70 E 8.15 4.00 0.00 2.01 1.81 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 2.22 2.21 0.00 71 K 7.80 3.20 0.00 1.53 0.76 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.11 7.81 72 K 7.23 4.92 0.00 1.73 1.41 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.32 7.81 73 L 8.94 4.97 0.00 2.03 1.76 1.11 0.94 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 74 S 9.11 5.41 0.00 3.99 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 75 L 10.23 4.67 0.00 0.27 0.17 0.49 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.94 5.77 0.00 3.39 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.95 4.68 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.34 0.84 0.00 0.00 78 T 7.98 3.59 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 1.06 0.00 0.00 79 D 7.55 4.73 0.00 2.57 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 80 S 8.62 4.96 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 81 Q 10.26 4.90 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 82 P 0.00 4.50 0.00 2.21 2.18 0.00 3.64 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 2.17 2.18 0.00 83 G 8.11 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 0.00 0.00 0.00 84 D 8.53 4.89 0.00 2.89 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 85 S 8.02 4.53 0.00 3.86 3.88 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 86 A 7.35 3.99 0.09 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 0.00 0.00 87 T 6.99 4.40 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 0.52 0.00 0.00 88 Y 8.08 5.48 0.00 3.00 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 F 8.61 4.85 0.00 3.07 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 90 C 8.54 3.81 0.00 2.25 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 91 A 7.47 4.84 0.77 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 92 A 7.54 4.16 -0.20 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 93 R 7.70 4.70 0.00 1.87 1.58 0.00 3.20 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 94 Y 8.60 4.64 0.00 2.94 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 95 Q 8.18 4.09 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 96 G 9.03 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 0.00 0.00 0.00 97 G 8.15 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 0.00 0.00 0.00 *101 R 8.63 4.45 0.00 1.93 2.03 0.00 3.44 0.00 0.00 3.30 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 *103 A 7.48 4.62 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 0.00 104 L 7.99 4.49 0.00 0.72 0.41 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.93 4.10 1.58 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 1.32 0.76 0.95 0.00 0.00 106 F 8.54 4.80 0.00 2.73 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 0.00 107 G 8.82 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 8.79 4.35 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 1.31 0.00 0.00 109 G 8.21 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 0.00 0.00 0.00 110 T 8.08 4.62 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 1.25 0.00 0.00 111 T 8.57 4.44 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 1.21 0.00 0.00 112 V 8.24 4.52 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 0.96 0.00 0.00 0.96 0.00 0.00 113 S 9.82 4.86 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.79 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 0.87 0.00 0.00 1.00 0.00 0.00 115 S 10.10 4.62 0.00 4.11 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 0.00 116 P 0.00 4.29 0.00 1.77 1.82 0.00 3.33 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 117 G 8.11 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 0.00 118 S 8.62 3.12 0.00 3.89 3.82 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 0.00 119 A 8.37 3.43 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 0.00 120 D 7.75 4.53 0.00 2.62 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.