NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2653 8.4045 118.7930 55.1392 32.4886 173.8387 *2 Y 3.0830 9.1136 126.7272 56.4750 33.6560 165.0000 *3 Y 3.4340 8.2851 127.9053 57.1141 34.6817 169.8815 4 L 4.2487 7.8600 128.8569 59.1049 41.4985 179.6348 5 G 3.9018 8.2174 107.0987 48.4694 0.0000 176.4398 6 K 3.9824 8.0004 125.8987 59.8014 31.7784 181.4888 7 E 4.2322 8.2373 122.7582 59.6600 29.6042 178.8042 8 L 4.1797 8.2137 124.9684 60.3648 40.6895 182.4627 9 Q 4.3010 8.1001 123.5223 60.7416 28.3178 182.1069 10 K 4.3457 7.9330 124.5678 59.6907 30.9806 181.8682 11 R 4.0498 8.6357 121.9578 59.3497 29.9978 178.0469 12 S 4.2414 7.9501 108.5369 58.7754 62.5258 174.6402 13 E 4.2926 7.3370 123.3923 57.5350 29.3963 176.3748 14 E 4.1571 8.0205 119.6964 57.7845 30.2753 178.4456 15 L 4.2562 7.4692 120.2397 58.8225 40.7950 178.9144 16 S 4.2378 7.9375 114.5471 60.9933 63.4170 176.4301 17 R 4.7710 8.3290 123.7134 58.5851 29.6498 179.0505 18 G 3.8479 7.8350 104.1408 47.8072 0.0000 174.7585 19 F 4.1824 8.2640 122.8944 61.8351 39.0514 177.1076 20 Y 4.1562 8.2248 115.3938 60.7557 37.5478 177.5865 21 E 4.0903 8.7451 118.5542 58.5258 29.5209 178.5176 22 L 4.2758 7.4043 119.0613 56.6466 42.9274 178.4069 23 V 4.0349 7.1372 112.7268 60.2693 31.2154 176.3380 24 Y 4.6399 7.3470 118.1958 56.0211 41.9088 171.9733 25 P 3.4951 0.0000 0.0000 60.3185 33.1914 173.5352 26 P 4.4062 0.0000 0.0000 62.8585 32.2151 175.3387 27 V 4.8496 8.3654 122.9881 61.1115 34.3801 173.9774 28 D 5.1280 9.3381 126.8504 52.7391 43.8198 174.9071 29 M 5.7199 8.9095 121.7734 53.1385 35.1522 173.3828 30 Y 5.0449 7.8004 123.2895 55.5029 42.4844 172.9149 31 E 5.1589 8.9215 118.7827 54.8569 32.4764 174.7439 32 E 4.7165 9.4235 125.6743 56.2997 33.0242 174.7402 33 G 4.1731 9.7585 111.9326 46.7049 0.0000 174.6389 34 G 3.6376 8.2231 105.5973 45.3250 0.0000 172.9638 35 Y 4.9093 7.8779 119.0362 55.8679 39.8611 174.8840 36 L 4.2560 9.2776 128.3921 55.2950 43.3333 175.6502 37 V 4.7039 8.4958 127.0940 60.9375 34.3168 174.4069 38 V 4.8296 8.4936 126.6275 61.0584 34.6082 174.0863 39 V 4.9512 9.1482 127.6481 61.1045 34.4959 174.0984 40 A 4.9786 8.8913 128.2359 50.5819 22.8291 175.2454 41 D 4.9251 8.5637 122.5132 52.6185 39.9281 176.4951 42 L 4.8633 8.3308 129.4970 53.7727 40.8816 176.2457 43 A 4.3283 8.2394 122.4299 53.3978 19.8064 177.6662 44 G 3.8459 8.9359 106.8471 47.0067 0.0000 173.6038 45 F 4.7686 8.2507 114.9890 55.1548 43.2329 174.8686 46 N 4.7495 8.6917 122.0950 52.3964 39.2696 176.2316 47 K 4.0404 8.7585 125.2943 59.4350 32.8057 177.4919 48 E 4.2955 7.8012 117.3086 57.4481 29.5745 176.8304 49 K 4.7090 8.5659 119.2584 56.0209 34.3164 175.6129 50 I 4.5618 7.9275 121.1191 59.5658 39.1980 174.7210 51 K 4.6481 8.8413 128.4169 54.2367 35.4884 174.8521 52 A 5.0990 8.5009 127.0032 50.4738 20.9527 175.7444 53 R 4.4611 8.7256 121.0189 55.7431 32.9503 176.4629 54 V 4.7780 8.0466 120.0180 61.1842 33.7542 174.7589 55 S 4.0464 9.5454 125.0701 58.5193 63.3280 174.6993 56 G 3.8624 9.4351 117.3399 46.8176 0.0000 174.7896 57 Q 4.0151 7.7086 119.1226 56.3447 28.9406 175.5309 58 N 4.5649 8.3842 115.8109 54.6245 41.2522 174.6423 59 E 4.8607 8.5360 120.0308 54.8103 31.2800 175.3638 60 L 4.6861 8.9629 128.3403 54.4481 43.9606 175.4812 61 I 4.9487 8.8829 126.5871 59.7607 40.8319 174.1847 62 I 4.7183 8.5065 128.7237 59.7853 39.1937 174.6493 63 E 4.9524 9.1893 127.3164 54.4231 32.9915 174.1283 64 A 5.2916 9.0166 127.3998 50.8282 23.3220 174.3759 65 E 5.6049 8.6664 118.6109 55.4813 32.6997 174.2425 66 R 4.8069 9.1050 122.1664 55.2229 33.1181 173.4935 67 E 4.6813 8.6658 119.3134 54.2807 31.9741 174.7597 68 I 4.3570 7.7778 123.9874 59.3595 39.1106 176.5528 69 T 4.0903 8.4879 116.4161 61.6847 67.0315 173.1841 70 E 4.5896 8.0067 127.3483 53.8468 30.3903 175.3345 71 P 4.3209 0.0000 0.0000 63.2048 30.5896 178.5423 72 G 4.1666 8.4830 110.9957 46.0189 0.0000 172.6474 73 V 4.0143 8.1578 121.8412 60.9656 32.7240 176.1570 74 K 4.2843 8.1329 125.9613 56.8031 32.7556 176.2483 75 Y 4.5853 8.4281 115.8205 58.6885 41.7178 176.0650 76 L 4.9045 7.9529 117.6291 53.2015 44.9158 176.9762 77 T 4.6093 8.1262 112.0151 59.9372 68.9736 173.5264 78 Q 4.3734 7.9514 127.9118 57.7719 30.6222 176.3356 79 R 3.9660 7.7431 116.9830 55.3636 30.2534 174.7659 80 P 4.4615 0.0000 0.0000 62.8720 32.3389 176.1342 81 K 4.4249 8.9078 120.8933 57.6653 34.2034 175.6253 82 Y 5.2376 8.1308 120.9522 55.8830 40.6854 174.8791 83 V 4.1989 8.2957 127.8672 61.1339 33.8799 174.7993 84 R 4.5394 8.1811 128.0310 55.1951 32.1827 173.2777 85 K 4.4797 8.9521 129.1573 54.6772 34.3631 174.9236 86 V 4.7216 8.3278 127.0593 61.3125 33.2864 174.5490 87 I 4.5155 8.9359 129.0795 59.3085 39.8312 175.1471 88 R 4.3910 8.6892 127.6906 56.1795 30.6278 175.2035 89 L 4.7794 8.3434 124.9119 52.3852 43.8651 175.9009 90 P 4.1720 0.0000 0.0000 64.1956 31.3444 175.2011 91 Y 4.8408 7.2699 114.1223 56.7016 42.0476 175.0162 92 N 4.8028 8.4825 118.9626 51.5937 38.0112 174.8192 93 V 3.7832 8.4715 123.6820 62.4866 33.0604 175.1138 94 A 4.1873 8.6200 128.8057 51.9387 19.2043 178.5708 95 K 4.0745 8.7307 119.0974 58.5527 32.2832 177.7570 96 D 4.4545 8.1561 117.2905 54.3899 40.8895 175.3920 97 A 3.8276 7.5319 123.5160 52.1632 18.0301 178.8913 98 E 4.4140 8.3913 125.9966 55.6101 28.7596 176.9731 99 I 4.3923 7.7226 119.6889 62.1171 38.3704 177.1973 100 S 4.8667 9.6153 121.2612 56.4897 66.8083 172.7717 101 G 4.6444 7.6748 107.8215 46.2881 0.0000 171.3875 102 K 4.7935 8.3324 118.4314 55.1014 35.7528 175.0802 103 Y 5.2577 8.3861 119.0488 56.0343 40.5209 174.0871 104 E 4.3497 8.5501 126.7973 55.7006 33.2507 175.6771 105 N 4.0539 9.7634 121.3573 54.4495 37.6438 174.7016 106 G 4.0527 7.6735 105.8036 44.8365 0.0000 173.4842 107 V 4.4874 7.6030 120.9924 61.9593 32.9664 174.4513 108 L 5.2472 8.8926 130.4811 54.0197 44.0844 174.9864 109 T 5.2096 8.8732 122.8581 61.6720 71.7706 173.0796 110 I 5.1035 8.8649 119.4281 59.0931 41.3636 174.5129 111 R 5.1267 8.9000 122.3375 54.5202 33.9531 174.5220 112 I 4.8165 8.9373 123.7836 59.2124 40.3523 174.0531 113 P 4.5797 0.0000 0.0000 61.9692 33.4900 176.1541 114 I 4.2159 7.4030 120.0879 60.4217 39.1893 175.2014 115 A 4.6826 8.2152 135.0000 51.2618 19.5919 175.9472 116 G 4.0635 8.4920 106.7706 46.9995 0.0000 172.9647 117 T 4.3809 8.3119 116.2576 59.7357 70.6864 175.8193 118 S 4.4696 8.1124 114.6301 58.4089 64.7603 171.8459 119 V 3.2232 8.4466 128.6535 62.1227 31.7445 171.2958 120 F 4.7562 8.6786 116.4882 60.0325 42.7553 176.2658 121 K 4.5056 8.3928 116.3976 56.9009 34.2838 175.7413 122 F 4.6902 8.1316 128.3415 57.9004 37.4585 175.7867 123 E 4.0099 9.3225 114.6028 56.2100 29.4308 174.7721 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 M 8.40 4.27 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 *2 Y 9.11 3.08 0.00 2.57 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 0.00 0.00 0.00 0.00 *3 Y 8.29 3.43 0.00 2.40 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 0.00 0.00 0.00 0.00 4 L 7.86 4.25 0.00 1.64 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.22 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 6 K 8.00 3.98 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 7 E 8.24 4.23 0.00 2.06 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 2.37 2.43 0.00 8 L 8.21 4.18 0.00 1.70 1.63 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.10 4.30 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 10 K 7.93 4.35 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 11 R 8.64 4.05 0.00 1.89 2.11 0.00 3.06 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 12 S 7.95 4.24 0.00 4.04 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 13 E 7.34 4.29 0.00 2.28 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 2.26 2.15 0.00 14 E 8.02 4.16 0.00 2.15 1.95 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 2.41 2.47 0.00 15 L 7.47 4.26 0.00 2.14 2.13 0.94 0.82 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 16 S 7.94 4.24 0.00 4.06 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 0.00 17 R 8.33 4.77 0.00 1.99 2.10 0.00 3.19 0.00 0.00 3.48 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 18 G 7.84 3.85 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 0.00 0.00 0.00 19 F 8.26 4.18 0.00 3.20 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 20 Y 8.22 4.16 0.00 3.41 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 21 E 8.75 4.09 0.00 2.13 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 2.45 2.65 0.00 22 L 7.40 4.28 0.00 1.65 1.56 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.14 4.03 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 0.41 0.00 0.00 0.72 0.00 0.00 24 Y 7.35 4.64 0.00 3.08 2.94 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 0.00 0.00 0.00 0.00 25 P 0.00 3.50 0.00 1.76 1.29 0.00 3.33 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 26 P 0.00 4.41 0.00 2.14 2.26 0.00 3.48 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 2.10 2.00 0.00 27 V 8.37 4.85 2.04 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 0.81 0.00 0.00 0.85 0.00 0.00 28 D 9.34 5.13 0.00 2.64 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 29 M 8.91 5.72 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 30 Y 7.80 5.04 0.00 3.02 3.05 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 31 E 8.92 5.16 0.00 2.08 1.95 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 2.27 2.36 0.00 32 E 9.42 4.72 0.00 2.16 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 2.31 2.32 0.00 33 G 9.76 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 0.00 0.00 0.00 0.00 34 G 8.22 3.64 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 0.00 35 Y 7.88 4.91 0.00 3.07 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 36 L 9.28 4.26 0.00 1.77 1.68 1.04 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 37 V 8.50 4.70 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 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 38 V 8.49 4.83 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 0.92 0.00 0.00 0.87 0.00 0.00 39 V 9.15 4.95 2.15 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 0.94 0.00 0.00 1.01 0.00 0.00 40 A 8.89 4.98 1.09 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 41 D 8.56 4.93 0.00 2.57 2.70 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 42 L 8.33 4.86 0.00 1.45 1.72 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.24 4.33 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 44 G 8.94 3.85 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 0.00 0.00 0.00 45 F 8.25 4.77 0.00 2.84 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 46 N 8.69 4.75 0.00 2.77 2.75 0.00 0.00 6.76 6.75 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 47 K 8.76 4.04 0.00 1.91 2.07 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 48 E 7.80 4.30 0.00 2.31 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 2.36 2.44 0.00 49 K 8.57 4.71 0.00 1.79 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.51 7.81 50 I 7.93 4.56 1.69 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.59 0.67 0.00 0.00 51 K 8.84 4.65 0.00 1.80 1.59 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 52 A 8.50 5.10 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 53 R 8.73 4.46 0.00 1.78 1.84 0.00 3.07 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 54 V 8.05 4.78 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 0.81 0.00 0.00 0.93 0.00 0.00 55 S 9.55 4.05 0.00 3.89 3.80 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 56 G 9.44 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 0.00 0.00 0.00 57 Q 7.71 4.02 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 58 N 8.38 4.56 0.00 2.88 2.77 0.00 0.00 7.01 7.39 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 59 E 8.54 4.86 0.00 2.04 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 2.25 2.23 0.00 60 L 8.96 4.69 0.00 1.72 1.63 0.96 0.70 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 61 I 8.88 4.95 1.85 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 1.21 0.77 0.89 0.00 0.00 62 I 8.51 4.72 1.74 0.00 0.00 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 1.03 0.68 0.73 0.00 0.00 63 E 9.19 4.95 0.00 1.92 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 2.26 2.22 0.00 64 A 9.02 5.29 0.60 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 0.00 0.00 65 E 8.67 5.60 0.00 2.38 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 2.34 2.46 0.00 66 R 9.10 4.81 0.00 1.66 1.71 0.00 2.55 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 67 E 8.67 4.68 0.00 1.91 1.84 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 2.19 2.34 0.00 68 I 7.78 4.36 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 0.87 0.00 0.00 69 T 8.49 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 1.20 0.00 0.00 70 E 8.01 4.59 0.00 2.05 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 0.00 2.40 2.28 0.00 71 P 0.00 4.32 0.00 2.06 1.86 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 72 G 8.48 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 0.00 0.00 0.00 0.00 73 V 8.16 4.01 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 0.49 0.00 0.00 0.92 0.00 0.00 74 K 8.13 4.28 0.00 1.66 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 75 Y 8.43 4.59 0.00 2.89 2.91 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 76 L 7.95 4.90 0.00 1.61 1.53 0.93 0.77 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 77 T 8.13 4.61 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 1.20 0.00 0.00 78 Q 7.95 4.37 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.11 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 79 R 7.74 3.97 0.00 1.70 1.75 0.00 3.13 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 80 P 0.00 4.46 0.00 2.07 2.04 0.00 3.26 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.05 0.00 81 K 8.91 4.42 0.00 1.76 2.05 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 82 Y 8.13 5.24 0.00 2.96 2.94 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 0.00 0.00 0.00 0.00 83 V 8.30 4.20 1.77 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 0.77 0.00 0.00 1.19 0.00 0.00 84 R 8.18 4.54 0.00 1.44 1.70 0.00 3.42 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 85 K 8.95 4.48 0.00 1.80 1.54 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.35 7.81 86 V 8.33 4.72 2.06 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 0.85 0.00 0.00 0.92 0.00 0.00 87 I 8.94 4.52 1.84 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 1.08 0.51 0.88 0.00 0.00 88 R 8.69 4.39 0.00 1.80 1.79 0.00 3.18 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 89 L 8.34 4.78 0.00 1.83 1.57 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.17 0.00 1.22 1.71 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 91 Y 7.27 4.84 0.00 2.93 2.77 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 92 N 8.48 4.80 0.00 2.64 2.80 0.00 0.00 6.83 7.68 0.00 0.00 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 V 8.47 3.78 2.19 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 0.91 0.00 0.00 0.97 0.00 0.00 94 A 8.62 4.19 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 95 K 8.73 4.07 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 D 8.16 4.45 0.00 2.65 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 97 A 7.53 3.83 1.28 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 0.00 0.00 0.00 98 E 8.39 4.41 0.00 2.11 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 2.25 2.37 0.00 99 I 7.72 4.39 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 1.04 1.91 0.95 0.00 0.00 100 S 9.62 4.87 0.00 3.84 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 0.00 101 G 7.67 4.64 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 0.00 102 K 8.33 4.79 0.00 1.92 1.88 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.37 7.81 103 Y 8.39 5.26 0.00 2.80 2.91 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 0.00 104 E 8.55 4.35 0.00 1.92 1.67 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 2.16 2.18 0.00 105 N 9.76 4.05 0.00 2.71 2.75 0.00 0.00 7.30 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 0.00 106 G 7.67 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 0.00 107 V 7.60 4.49 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 0.92 0.00 0.00 0.93 0.00 0.00 108 L 8.89 5.25 0.00 1.90 1.52 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.87 5.21 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 1.19 0.00 0.00 110 I 8.86 5.10 1.93 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 1.18 0.92 0.87 0.00 0.00 111 R 8.90 5.13 0.00 1.66 1.77 0.00 2.85 0.00 0.00 2.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 112 I 8.94 4.82 1.90 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 1.24 0.89 0.93 0.00 0.00 113 P 0.00 4.58 0.00 1.85 1.86 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.40 0.00 114 I 7.40 4.22 1.61 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.18 0.68 0.00 0.00 115 A 8.22 4.68 1.08 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 0.00 0.00 116 G 8.49 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 0.00 117 T 8.31 4.38 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 0.00 118 S 8.11 4.47 0.00 3.55 3.64 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 0.00 119 V 8.45 3.22 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 0.93 0.00 0.00 1.06 0.00 0.00 120 F 8.68 4.76 0.00 2.99 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 0.00 121 K 8.39 4.51 0.00 2.06 2.34 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.42 7.81 122 F 8.13 4.69 0.00 3.02 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 0.00 0.00 0.00 0.00 123 E 9.32 4.01 0.00 2.20 1.80 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 2.12 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.