NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.6612 8.2876 120.4008 56.1479 31.1398 173.9227 0 H 4.2800 8.3481 120.7767 57.2562 28.7145 174.9853 1 M 4.4761 8.0838 118.8438 56.1872 33.2515 177.9685 2 E 3.8594 7.7317 119.0514 58.4126 29.9190 176.9129 3 Y 4.3349 7.7168 114.4454 58.5356 39.4356 175.8918 4 W 5.1775 8.1479 118.6601 56.0954 30.5601 175.8418 5 H 5.2666 9.3474 118.0251 53.6010 31.7578 172.2157 6 Y 4.6167 8.8646 120.8283 57.8278 39.5384 174.9328 7 V 4.2824 7.1852 125.4860 60.9570 34.2163 174.8505 8 E 4.3329 8.4943 127.0856 55.9711 30.9974 175.7291 9 T 4.9553 8.1007 112.0076 59.4896 72.3525 173.4251 10 T 4.1706 8.6519 113.1832 60.9586 69.5517 175.5134 11 S 4.1138 8.7036 116.8726 61.5992 62.6329 175.7299 12 S 4.2423 7.9359 112.5106 58.8368 63.1921 174.4715 13 G 3.8135 8.2041 109.6333 45.7996 0.0000 172.7600 14 Q 4.3096 7.9080 121.3954 53.4977 29.8505 173.2693 15 P 4.5946 0.0000 0.0000 62.8110 32.3706 175.8228 16 L 4.4232 8.2981 122.8358 53.8998 42.0716 176.3634 17 L 4.6430 8.3119 123.9225 53.1176 43.7806 177.0735 18 R 4.1501 9.2365 120.5982 55.3336 30.8008 176.1059 19 E 3.9538 8.6205 120.5282 58.0815 29.6410 177.5556 20 G 3.9174 8.8988 113.4632 45.5185 0.0000 172.4911 21 E 4.3233 8.1056 121.8371 55.5998 30.4494 175.8972 22 K 4.8749 8.7613 126.1958 54.2479 35.6979 175.3588 23 D 4.9420 8.8873 123.9532 53.9826 39.8135 175.4644 24 I 4.4683 9.0593 121.8192 62.7218 39.5853 175.6693 25 F 4.7431 7.8654 121.4231 57.0619 42.8335 172.8954 26 I 5.1882 7.2296 122.9268 59.7340 41.0698 173.8439 27 D 4.9707 9.1639 123.9763 52.8842 45.3520 173.7974 28 Q 4.7783 8.5127 119.4261 53.8940 32.3293 175.3586 29 S 3.6663 8.2087 113.5954 59.9782 60.4513 171.9988 30 V 4.6733 8.1533 120.1306 61.2558 34.0796 175.3668 31 G 4.4967 8.7487 113.4687 44.4832 0.0000 171.7953 32 L 5.3059 8.1121 120.5348 53.0143 44.6114 175.2971 33 Y 4.9035 8.9985 119.1833 56.3948 42.0218 174.1095 34 H 4.8779 9.0555 123.0600 54.2810 31.8795 173.5258 35 G 2.4480 8.5713 117.3963 46.6190 0.0000 175.0842 36 K 4.2905 8.5713 122.0909 57.4298 32.6811 176.6878 37 S 4.8014 7.6863 116.0861 56.3009 64.4116 173.6802 38 K 3.3383 8.1547 123.7547 56.4880 32.7474 176.8059 39 I 3.8130 8.1192 125.7137 60.4481 37.6870 175.5324 40 L 4.0571 8.2180 127.8329 55.8418 41.9687 177.8724 41 Q 3.7221 8.9222 120.2225 56.4713 26.7885 173.7751 42 R 4.7043 7.5164 115.9171 54.7531 30.6360 176.1304 43 Q 4.4532 7.9614 114.5178 56.0359 30.6738 177.5039 44 R 4.5050 7.9787 120.8614 55.7495 32.5648 173.5655 45 G 4.1142 9.0039 113.0978 45.0883 0.0000 170.6621 46 R 4.8219 8.4345 119.0704 55.2662 32.0103 175.6592 47 I 5.0651 8.7969 122.8728 59.3163 40.7462 174.0694 48 F 5.4394 9.7855 128.0444 55.7227 42.2462 173.8227 49 L 5.3262 9.5904 126.2166 53.8105 43.8738 175.4051 50 T 5.2270 8.9516 116.2750 59.3419 71.9033 175.0680 51 S 4.0792 8.6459 116.1580 60.9090 63.0094 175.2155 52 Q 4.6891 7.8923 117.9896 56.0277 31.8175 175.5954 53 R 5.2424 8.5505 116.3362 54.7040 35.4893 174.0092 54 I 5.1612 8.5957 121.4370 59.9346 39.7440 174.9413 55 I 5.2197 9.3393 127.5596 59.7667 40.5632 173.6442 56 Y 4.9950 9.6586 128.8975 56.2504 40.7017 174.2026 57 I 4.4876 8.2189 128.5605 58.4090 38.9430 174.6976 58 D 4.3225 8.3286 127.5843 54.5036 40.8167 176.0924 59 D 4.3829 9.1120 126.1811 57.5380 41.2915 178.8126 60 A 4.0385 8.1490 120.2843 54.6683 19.0003 178.0528 61 K 4.6432 8.5200 115.7764 53.6503 32.4523 175.2072 62 P 4.2395 0.0000 0.0000 65.6569 31.7663 178.6612 63 T 4.2237 7.8651 106.3326 62.5324 69.4434 174.6378 64 Q 4.6407 8.1844 119.8935 57.3279 30.7204 175.9546 65 N 5.0670 8.4027 112.0585 53.1136 39.5261 175.4457 66 S 4.7973 7.9609 115.7379 58.4261 64.6059 173.1723 67 L 5.1606 9.2803 122.1534 53.2112 46.4407 175.6204 68 G 4.6302 9.6029 108.1566 44.4354 0.0000 171.2697 69 L 5.0380 8.9800 124.1713 52.7377 45.4972 175.4806 70 E 4.6228 8.7991 125.5849 55.7360 30.4677 177.6722 71 L 4.0005 8.8237 124.5327 57.9579 41.8863 179.0268 72 D 4.4575 8.1309 116.3634 56.5498 41.3391 176.1193 73 D 4.7839 8.3129 117.7335 54.6232 41.3654 175.6919 74 L 5.0786 7.7746 119.4920 53.2080 43.6328 175.7939 75 A 4.4801 8.9895 123.4920 53.3367 20.9342 176.5825 76 Y 4.9033 7.8389 110.2905 56.7836 42.8996 174.7607 77 V 4.8501 8.3801 113.4602 59.6961 35.6685 174.7890 78 N 4.8862 8.7777 121.8633 52.0047 42.1490 172.5702 79 Y 4.7974 8.7646 127.7204 57.2925 40.1148 174.1975 80 S 4.5566 8.4532 121.3483 56.3632 65.1812 174.2544 81 S 4.1480 8.7620 120.6117 58.3944 63.3441 174.2627 82 G 4.2152 7.9889 108.4867 47.3462 0.0000 175.3358 83 F 4.2788 8.3691 122.5047 60.6801 39.6770 176.1748 84 L 4.1894 7.8962 117.8612 55.6172 42.5849 176.7935 85 T 4.4955 7.4421 108.7166 59.7472 70.5494 175.7227 86 R 3.8927 8.7300 123.1819 59.0431 30.3206 177.0706 87 S 4.9808 7.5714 110.9215 55.6860 66.0089 172.7085 88 P 4.5439 0.0000 0.0000 63.0225 32.7684 175.4422 89 R 5.2225 8.7738 120.1031 54.4496 34.6178 174.0689 90 L 5.1170 9.1690 125.3519 53.6413 44.2948 174.9447 91 I 4.7182 8.7221 128.3930 60.0524 39.0907 174.6430 92 L 4.8376 9.1374 127.8382 53.1068 43.8489 175.3730 93 F 5.3661 8.8751 123.4931 56.0653 40.7763 175.7330 94 F 5.0693 8.5623 122.2492 57.0200 39.4915 176.0831 95 K 4.1657 9.1537 121.4632 58.5482 32.3401 177.4868 96 D 4.8601 7.6557 117.1968 51.9740 41.0451 172.9131 97 P 4.7385 0.0000 0.0000 62.7970 32.6808 177.6978 98 S 4.4157 8.6256 115.8425 60.5702 63.3921 174.2137 99 S 4.5168 7.5922 113.1692 57.4158 64.9487 174.4343 *252 S 4.5875 8.4422 118.9503 58.2258 64.1927 175.0059 253 T 4.1944 7.7388 110.6746 63.0309 69.0246 174.4891 254 E 4.4832 8.2639 122.8036 55.3508 29.9004 175.0854 255 F 4.8224 7.7063 118.8420 55.8063 42.0364 172.8823 256 V 5.0639 8.5552 118.0934 61.2793 34.7142 174.1545 257 Q 5.2332 8.9617 123.4053 54.1766 33.0010 174.1284 258 L 4.9636 8.9674 122.6811 53.1433 44.2601 175.2546 259 S 4.9374 8.9886 119.1375 56.5352 64.8061 172.7552 260 F 4.9757 8.9462 127.0002 56.5964 38.5222 175.9645 261 R 4.3493 8.7730 123.6327 56.8322 30.6788 177.9386 262 K 4.6606 8.1592 115.6452 55.5359 33.8211 175.1897 263 S 4.6912 7.7880 112.6486 57.1237 65.6557 173.5976 264 D 4.4940 8.6707 118.8913 53.3672 39.7888 177.2947 265 G 2.5296 7.9380 108.1283 46.0690 0.0000 176.0045 266 V 2.9985 8.1743 120.7409 65.7655 31.5130 178.1711 267 L 3.6368 7.6063 118.2420 57.4449 41.4166 179.1036 268 F 3.6758 7.8615 120.0830 61.3081 39.3372 177.2593 269 S 4.2399 8.0522 114.7278 61.6798 62.7613 176.6394 270 Q 3.9722 8.0321 120.6586 58.9258 28.4043 178.8428 271 A 3.8227 7.6138 121.6385 55.3034 18.2659 179.8767 272 T 3.6655 7.6931 114.2418 66.6825 68.4449 176.5695 273 E 3.9250 8.2959 120.7976 59.6074 29.5073 179.6268 274 R 3.8066 7.8185 117.7836 59.2497 30.0442 178.4348 275 A 3.9507 8.0710 120.6997 54.8918 18.3094 179.2262 276 L 3.8753 8.1992 119.2747 58.4697 42.2094 178.7136 277 E 3.8653 8.3150 119.2240 59.5092 29.5722 178.5267 278 N 4.3305 8.2171 116.3966 56.3231 38.4421 177.5136 279 I 3.7518 7.5513 121.2852 64.3053 37.0344 178.4326 280 L 3.9758 7.8835 119.0392 57.9523 41.5702 179.3017 281 T 4.0887 7.7580 108.1076 62.2295 69.1392 174.5017 282 E 4.9528 7.7057 123.2448 57.0825 30.6720 175.4810 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 H 8.29 4.66 0.00 3.24 3.21 0.00 5.83 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 0 H 8.35 4.28 0.00 3.71 3.39 0.00 5.50 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.08 4.48 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 2 E 7.73 3.86 0.00 1.64 1.12 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 1.51 1.89 0.00 3 Y 7.72 4.33 0.00 2.85 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 4 W 8.15 5.18 0.00 3.33 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 5 H 9.35 5.27 0.00 3.28 3.48 0.00 5.46 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.86 4.62 0.00 3.04 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 7 V 7.19 4.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 8 E 8.49 4.33 0.00 1.93 1.83 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 2.61 2.39 0.00 9 T 8.10 4.96 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 1.10 0.00 0.00 10 T 8.65 4.17 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 1.22 0.00 0.00 11 S 8.70 4.11 0.00 4.00 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 12 S 7.94 4.24 0.00 4.01 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 13 G 8.20 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 0.00 0.00 0.00 14 Q 7.91 4.31 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 15 P 0.00 4.59 0.00 1.85 1.64 0.00 3.44 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 0.00 16 L 8.30 4.42 0.00 1.53 1.64 0.91 0.73 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 17 L 8.31 4.64 0.00 1.50 1.59 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.24 4.15 0.00 1.91 1.86 0.00 3.15 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 19 E 8.62 3.95 0.00 1.93 1.89 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 2.31 2.34 0.00 20 G 8.90 3.92 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 0.00 0.00 0.00 21 E 8.11 4.32 0.00 2.01 2.02 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 2.35 2.33 0.00 22 K 8.76 4.87 0.00 1.76 1.68 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 23 D 8.89 4.94 0.00 2.85 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 24 I 9.06 4.47 2.02 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 1.15 0.87 0.95 0.00 0.00 25 F 7.87 4.74 0.00 3.04 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 26 I 7.23 5.19 1.47 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.50 0.23 0.00 0.00 27 D 9.16 4.97 0.00 2.95 2.54 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 28 Q 8.51 4.78 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 29 S 8.21 3.67 0.00 4.07 3.93 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 30 V 8.15 4.67 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 0.66 0.00 0.00 0.69 0.00 0.00 31 G 8.75 4.50 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 32 L 8.11 5.31 0.00 1.16 1.33 -0.45 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.00 4.90 0.00 2.84 3.02 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 34 H 9.06 4.88 0.00 3.29 3.18 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.57 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 0.00 0.00 0.00 36 K 8.57 4.29 0.00 1.82 1.96 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.58 7.81 37 S 7.69 4.80 0.00 3.85 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 38 K 8.15 3.34 0.00 1.36 1.49 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.48 1.08 7.81 39 I 8.12 3.81 1.49 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 0.50 0.00 0.00 40 L 8.22 4.06 0.00 1.45 1.54 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.92 3.72 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.50 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 42 R 7.52 4.70 0.00 1.30 0.92 0.00 3.09 0.00 0.00 3.22 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.00 43 Q 7.96 4.45 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 44 R 7.98 4.50 0.00 1.86 1.77 0.00 3.19 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 45 G 9.00 4.11 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 0.00 46 R 8.43 4.82 0.00 1.90 1.78 0.00 2.95 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 47 I 8.80 5.07 1.74 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.72 0.24 0.00 0.00 48 F 9.79 5.44 0.00 3.06 3.07 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 49 L 9.59 5.33 0.00 1.35 1.45 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.95 5.23 4.44 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 0.00 0.00 0.00 1.33 0.00 0.00 51 S 8.65 4.08 0.00 4.04 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 52 Q 7.89 4.69 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 53 R 8.55 5.24 0.00 1.91 1.92 0.00 3.28 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 54 I 8.60 5.16 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 1.29 0.00 0.00 55 I 9.34 5.22 2.00 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 1.22 0.97 0.91 0.00 0.00 56 Y 9.66 4.99 0.00 3.04 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 57 I 8.22 4.49 1.88 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.86 0.85 0.00 0.00 58 D 8.33 4.32 0.00 2.94 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 59 D 9.11 4.38 0.00 2.85 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 60 A 8.15 4.04 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 61 K 8.52 4.64 0.00 1.77 1.72 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 62 P 0.00 4.24 0.00 2.13 2.23 0.00 3.75 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 1.97 1.93 0.00 63 T 7.87 4.22 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 1.22 0.00 0.00 64 Q 8.18 4.64 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.30 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 65 N 8.40 5.07 0.00 2.86 2.86 0.00 0.00 7.12 7.44 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 66 S 7.96 4.80 0.00 3.81 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 67 L 9.28 5.16 0.00 1.19 1.61 0.22 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.60 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.98 5.04 0.00 1.13 1.29 -0.04 0.28 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 70 E 8.80 4.62 0.00 2.11 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 2.51 2.33 0.00 71 L 8.82 4.00 0.00 1.80 1.75 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.13 4.46 0.00 2.64 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 73 D 8.31 4.78 0.00 3.05 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 74 L 7.77 5.08 0.00 1.76 1.58 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.99 4.48 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 76 Y 7.84 4.90 0.00 2.90 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 77 V 8.38 4.85 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 0.69 0.00 0.00 0.94 0.00 0.00 78 N 8.78 4.89 0.00 2.53 2.22 0.00 0.00 6.83 7.25 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 79 Y 8.76 4.80 0.00 2.96 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 80 S 8.45 4.56 0.00 3.68 3.43 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 81 S 8.76 4.15 0.00 4.11 4.11 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 82 G 7.99 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 0.00 0.00 0.00 83 F 8.37 4.28 0.00 2.97 3.12 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 84 L 7.90 4.19 0.00 1.67 1.68 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.44 4.50 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 1.13 0.00 0.00 86 R 8.73 3.89 0.00 1.84 2.06 0.00 3.17 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 87 S 7.57 4.98 0.00 3.76 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 88 P 0.00 4.54 0.00 2.24 1.87 0.00 3.86 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 2.34 2.20 0.00 89 R 8.77 5.22 0.00 1.51 1.66 0.00 3.02 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 90 L 9.17 5.12 0.00 2.23 1.87 1.10 1.23 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 91 I 8.72 4.72 1.44 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.47 0.00 0.00 92 L 9.14 4.84 0.00 1.26 1.35 0.90 0.91 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 93 F 8.88 5.37 0.00 3.21 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 94 F 8.56 5.07 0.00 2.98 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 95 K 9.15 4.17 0.00 1.73 1.94 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.47 7.81 96 D 7.66 4.86 0.00 2.61 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 97 P 0.00 4.74 0.00 2.55 2.21 0.00 3.90 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 98 S 8.63 4.42 0.00 4.22 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 99 S 7.59 4.52 0.00 3.87 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 *252 S 8.44 4.59 0.00 3.94 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 0.00 253 T 7.74 4.19 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 0.00 254 E 8.26 4.48 0.00 2.09 2.02 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 2.39 2.71 0.00 255 F 7.71 4.82 0.00 3.38 3.17 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 0.00 256 V 8.56 5.06 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 1.37 0.00 0.00 1.16 0.00 0.00 257 Q 8.96 5.23 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 258 L 8.97 4.96 0.00 1.39 1.12 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 259 S 8.99 4.94 0.00 3.91 3.83 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 0.00 260 F 8.95 4.98 0.00 3.03 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 0.00 261 R 8.77 4.35 0.00 1.95 2.02 0.00 3.20 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 262 K 8.16 4.66 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.35 7.81 263 S 7.79 4.69 0.00 3.97 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 0.00 264 D 8.67 4.49 0.00 2.86 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 0.00 265 G 7.94 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 0.00 0.00 0.00 266 V 8.17 3.00 1.98 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 0.85 0.00 0.00 0.61 0.00 0.00 267 L 7.61 3.64 0.00 1.56 1.01 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 268 F 7.86 3.68 0.00 3.34 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 0.00 269 S 8.05 4.24 0.00 3.76 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 0.00 270 Q 8.03 3.97 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 271 A 7.61 3.82 0.97 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 0.00 0.00 272 T 7.69 3.67 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 1.24 0.00 0.00 273 E 8.30 3.93 0.00 2.11 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 0.00 2.32 2.46 0.00 274 R 7.82 3.81 0.00 1.84 2.00 0.00 3.04 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 275 A 8.07 3.95 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 0.00 276 L 8.20 3.88 0.00 1.76 1.84 0.95 0.74 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 0.00 277 E 8.32 3.87 0.00 2.19 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 2.29 2.39 0.00 278 N 8.22 4.33 0.00 2.95 2.84 0.00 0.00 7.01 6.72 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 0.00 279 I 7.55 3.75 2.00 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 1.53 0.87 0.91 0.00 0.00 280 L 7.88 3.98 0.00 1.56 1.67 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 281 T 7.76 4.09 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 1.24 0.00 0.00 282 E 7.71 4.95 0.00 2.18 2.30 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 2.12 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.