NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2385 8.1749 111.0419 60.9394 70.4951 172.8639 2 W 4.1081 8.5017 122.2392 55.0491 29.5727 174.8836 3 G 4.2114 7.6635 113.8960 46.3415 0.0000 171.1985 4 V 5.1689 8.4463 119.6159 61.1970 34.7310 174.5683 5 S 5.0866 9.2558 124.0353 56.8033 65.7736 173.2778 6 S 5.2184 8.8075 117.7316 56.0106 64.5260 172.0864 7 P 4.3231 0.0000 0.0000 63.6349 31.3354 176.8804 8 K 4.3407 8.9175 122.5520 59.1833 33.2801 175.8410 9 N 5.4432 7.6764 113.0129 52.2061 43.2624 174.3601 10 V 4.4557 8.4952 120.2697 61.9882 35.3902 173.9179 11 Q 4.9127 8.6562 126.5675 55.2475 31.0472 175.1749 12 G 4.0402 8.1493 104.8250 45.3615 0.0000 172.3894 13 L 4.6267 8.3992 127.3952 54.0002 43.4095 175.7283 14 S 4.1670 9.0874 122.2124 60.4980 62.1818 173.2730 15 G 4.1682 9.5929 114.8656 45.4798 0.0000 173.0517 16 S 4.9634 7.8624 119.2992 57.9698 62.4913 172.0785 17 C 5.2560 8.2890 113.1692 56.7693 32.8100 173.5033 18 L 4.8783 8.8398 119.3720 53.9649 44.2061 174.7175 19 L 4.9140 8.3177 121.0642 53.3984 44.6356 175.6521 20 I 4.3060 8.7238 128.4410 58.9821 37.9670 173.5373 21 P 4.9003 0.0000 0.0000 63.4452 32.2236 176.4035 22 C 5.3107 9.3876 120.3388 55.8936 47.9930 172.5546 23 I 5.2997 8.7202 118.4705 59.3745 41.1724 173.6867 24 F 5.5966 8.2425 117.2157 55.8281 41.3636 173.6317 25 S 4.5440 9.1932 113.2077 57.3459 66.3961 172.4622 26 Y 4.1741 7.2093 118.1543 54.2289 40.9830 172.6671 27 P 4.2144 0.0000 0.0000 62.9124 32.0981 177.5420 28 A 4.0804 8.5363 124.5836 54.0298 18.7291 178.1016 29 D 4.6350 7.8665 113.5385 53.3123 40.1790 176.5719 30 V 3.9523 7.2725 120.2743 61.7669 32.1072 173.8223 31 P 4.5578 0.0000 0.0000 62.4005 32.1897 175.6806 32 V 4.5038 8.2046 119.7787 61.2978 34.1958 174.6869 33 S 4.5785 8.7018 117.8659 59.6336 66.9660 174.3944 34 N 4.6626 8.3472 115.2995 52.4545 38.6326 176.0567 35 G 3.8515 8.1585 107.0649 44.2933 0.0000 172.0764 36 I 4.8190 8.0023 118.5297 59.7739 40.1417 175.5921 37 T 4.3397 8.7196 124.2525 62.9653 69.9409 173.4899 38 A 4.8631 8.7530 128.4688 50.3877 21.6262 175.7480 39 I 4.9440 8.1623 122.5488 59.3709 42.1493 174.1450 40 W 5.2132 9.0711 126.1047 55.2110 32.0040 174.4040 41 Y 5.3025 9.4790 122.4004 56.4546 41.0754 173.9731 42 Y 4.7294 8.6161 122.5684 55.9312 41.7075 175.1590 43 D 3.9778 7.9654 126.9196 54.6918 40.1414 173.7521 44 Y 3.8128 8.1257 121.5615 61.1343 39.0529 176.8792 45 S 4.7270 8.0658 112.5177 58.4540 64.1638 173.2730 46 G 4.2371 7.7538 113.8919 45.1541 0.0000 175.2911 47 K 3.9115 9.3705 124.1090 57.5031 32.2513 176.6860 48 R 4.2993 7.4400 115.0299 56.1498 27.9262 174.5156 49 Q 4.7271 7.6831 118.4727 54.3864 32.0002 175.7095 50 V 4.1248 8.4391 122.3900 62.9974 32.1120 176.5261 51 V 3.5914 9.0279 129.0739 64.9470 32.3564 176.3624 52 I 4.7981 7.5527 119.3095 60.0674 41.6648 174.3737 53 H 4.9896 8.7985 125.7652 54.9534 31.5113 173.4566 54 S 4.0005 9.5516 122.3439 61.6186 62.5678 176.4769 55 G 3.7713 8.3667 108.3631 47.8220 0.0000 173.0367 56 D 4.5697 7.8495 120.5096 51.5269 42.1209 173.3482 57 P 4.5186 0.0000 0.0000 64.9015 31.4821 179.2331 58 K 4.1047 7.9705 117.2895 58.7162 32.0476 177.7348 59 L 4.1983 8.1703 118.1499 56.0822 41.9359 177.6528 60 V 3.8977 7.5161 119.3788 62.3431 32.2061 175.2413 61 D 4.5880 9.2485 127.2008 53.9691 42.1518 177.0353 62 K 3.8911 8.9147 124.9176 60.6095 31.9480 179.1990 63 R 3.7722 7.8524 118.3682 58.3606 30.2360 177.5490 64 F 4.7764 8.0386 115.8359 56.4984 39.6002 175.9930 65 R 4.2421 7.0664 118.1450 57.6265 30.1346 177.0500 66 G 4.0522 9.1615 111.5791 45.3384 0.0000 173.8831 67 R 4.7350 8.1022 117.2396 55.7221 31.4339 175.2954 68 A 5.2106 7.6856 119.4035 50.7036 22.8596 175.7481 69 E 4.5448 8.6902 116.9278 55.2965 33.9414 174.5449 70 L 4.8213 8.6874 129.5168 54.5044 41.5885 175.9716 71 M 4.2784 9.0626 127.1271 57.0600 32.4250 177.5573 72 G 4.3850 8.0550 105.4788 45.3120 0.0000 172.5842 73 N 4.9878 8.4760 119.9411 51.7503 40.4413 175.5831 74 M 4.3810 8.9514 126.5629 58.5623 32.3546 177.7218 75 D 4.5683 8.6170 116.7005 56.0495 41.5044 176.0971 76 H 4.7831 7.9175 113.7295 55.0379 29.5558 173.8527 77 K 2.4800 7.4711 118.2430 56.9355 30.1961 174.3407 78 V 4.7550 7.6821 117.7405 60.8603 33.7231 173.3171 79 C 4.8869 9.0588 123.2294 54.7889 42.9791 173.6662 80 N 4.5241 8.5032 116.8203 55.2264 39.3492 173.3703 81 L 4.6425 8.7516 126.3225 53.1960 44.2793 174.5435 82 L 4.9008 9.0045 128.6442 53.2525 44.4870 174.6860 83 L 5.0479 8.7267 126.6004 53.0904 43.8494 175.9679 84 K 4.5653 8.6425 123.6634 54.3846 34.3252 175.8346 85 D 4.5697 8.3363 118.4976 53.5327 39.6067 173.6102 86 L 4.1644 8.5048 120.6299 55.4140 43.0727 177.4095 87 K 4.9169 8.4301 119.2550 53.9509 36.2606 175.9041 88 P 4.4757 0.0000 0.0000 65.9519 31.3926 178.6245 89 E 4.0290 8.1389 115.7096 59.0803 29.4130 177.3922 90 D 4.5663 8.2454 117.2606 54.7539 40.9939 176.5899 91 S 4.7020 8.3563 117.7334 57.4222 63.8619 174.9242 92 G 4.1662 7.9389 112.0204 46.7607 0.0000 170.3519 93 T 5.3007 7.6797 116.7685 62.1378 71.6062 173.1767 94 Y 5.3523 9.6987 123.6576 56.4268 41.0839 174.2937 95 N 5.4644 9.4427 121.8002 51.4653 41.7697 173.7983 96 F 4.3399 8.5084 125.3502 57.2525 41.5270 174.1706 97 R 4.8589 7.3881 123.8743 54.6642 33.7488 173.6550 98 F 5.7379 8.3264 119.6209 54.1375 41.8784 173.3424 99 E 4.8215 8.5327 117.3132 55.3985 33.6763 175.4068 100 I 4.3456 8.4407 120.4396 62.3402 41.0390 175.5947 101 S 4.7918 7.4730 112.4294 56.1899 65.8273 174.5277 102 D 4.4021 8.4653 123.9368 57.0543 40.5772 178.5330 103 S 4.5041 7.8859 109.8841 58.3678 64.9184 174.0598 104 N 4.6259 7.9094 122.3986 52.6692 37.2523 173.4031 105 R 4.5317 6.7427 113.8782 54.3103 33.7477 176.6169 106 W 4.3149 8.1212 127.6690 56.1742 34.6721 172.5185 107 L 4.8103 7.4820 129.1444 52.7822 43.5183 175.2704 108 D 4.6458 9.0298 127.6048 54.2079 41.5419 176.5835 109 V 3.6824 8.3716 126.4592 64.2101 31.7463 177.5331 110 K 3.9489 8.1403 120.0148 57.7840 32.2970 178.6203 111 G 4.2282 8.8179 104.5852 45.6332 0.0000 172.3257 112 T 4.8627 9.1015 114.9893 61.9692 72.2036 173.8564 113 T 5.0679 8.5069 123.3372 62.3492 69.9272 173.9361 114 V 4.5300 9.0494 128.3963 62.3834 33.1663 174.7785 115 T 4.8963 8.8469 124.3715 61.7316 71.3945 173.1029 116 V 4.7350 8.6469 127.2570 61.5767 33.0894 175.1246 117 T 4.4819 8.5074 118.9944 61.1910 71.1932 175.0158 118 T 4.0586 8.5638 117.7012 65.7213 70.5955 175.0504 *119 D 4.4415 7.9664 122.4235 53.3915 40.5341 176.9435 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 4.24 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 1.17 0.00 0.00 2 W 8.50 4.11 0.00 2.72 1.74 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 3 G 7.66 4.21 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 0.00 4 V 8.45 5.17 2.41 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 1.23 0.00 0.00 1.53 0.00 0.00 5 S 9.26 5.09 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 6 S 8.81 5.22 0.00 4.12 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 7 P 0.00 4.32 0.00 2.36 2.29 0.00 3.94 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 2.14 2.03 0.00 8 K 8.92 4.34 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 9 N 7.68 5.44 0.00 2.60 2.68 0.00 0.00 6.69 7.56 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 10 V 8.50 4.46 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 0.85 0.00 0.00 0.93 0.00 0.00 11 Q 8.66 4.91 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.45 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 12 G 8.15 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 0.00 0.00 0.00 13 L 8.40 4.63 0.00 1.74 1.54 0.92 0.92 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 14 S 9.09 4.17 0.00 3.96 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 15 G 9.59 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 16 S 7.86 4.96 0.00 3.86 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 17 C 8.29 5.26 0.00 3.05 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 18 L 8.84 4.88 0.00 1.65 1.68 0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.32 4.91 0.00 1.56 1.50 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.72 4.31 1.47 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.17 0.96 0.00 0.00 21 P 0.00 4.90 0.00 2.09 2.05 0.00 3.79 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 2.01 1.97 0.00 22 C 9.39 5.31 0.00 3.23 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 23 I 8.72 5.30 1.73 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 1.28 0.69 0.83 0.00 0.00 24 F 8.24 5.60 0.00 2.96 3.06 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 25 S 9.19 4.54 0.00 3.56 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 26 Y 7.21 4.17 0.00 1.43 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 0.00 0.00 0.00 27 P 0.00 4.21 0.00 2.07 1.95 0.00 2.39 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.81 0.00 28 A 8.54 4.08 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 29 D 7.87 4.63 0.00 2.80 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 30 V 7.27 3.95 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 0.91 0.00 0.00 1.04 0.00 0.00 31 P 0.00 4.56 0.00 2.25 2.07 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 32 V 8.20 4.50 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 0.92 0.00 0.00 0.98 0.00 0.00 33 S 8.70 4.58 0.00 3.97 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 34 N 8.35 4.66 0.00 2.73 2.89 0.00 0.00 7.02 7.65 0.00 0.00 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 G 8.16 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 36 I 8.00 4.82 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 1.02 0.00 0.00 37 T 8.72 4.34 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 1.14 0.00 0.00 38 A 8.75 4.86 1.45 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 39 I 8.16 4.94 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.28 0.23 0.00 0.00 40 W 9.07 5.21 0.00 3.28 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 41 Y 9.48 5.30 0.00 3.15 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 42 Y 8.62 4.73 0.00 2.49 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 43 D 7.97 3.98 0.00 1.91 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 0.00 0.00 0.00 0.00 44 Y 8.13 3.81 0.00 2.89 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 45 S 8.07 4.73 0.00 3.89 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 46 G 7.75 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 0.00 0.00 0.00 0.00 47 K 9.37 3.91 0.00 1.76 1.94 0.00 1.97 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.39 7.81 48 R 7.44 4.30 0.00 1.72 1.64 0.00 2.78 0.00 0.00 3.45 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.00 49 Q 7.68 4.73 0.00 2.53 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 50 V 8.44 4.12 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 1.00 0.00 0.00 1.08 0.00 0.00 51 V 9.03 3.59 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 0.48 0.00 0.00 0.18 0.00 0.00 52 I 7.55 4.80 2.23 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 1.12 0.00 0.00 53 H 8.80 4.99 0.00 3.16 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.55 4.00 0.00 3.93 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 55 G 8.37 3.77 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 0.00 56 D 7.85 4.57 0.00 2.61 2.31 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 57 P 0.00 4.52 0.00 2.29 2.35 0.00 3.77 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 2.10 2.03 0.00 58 K 7.97 4.10 0.00 2.02 1.92 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.41 7.81 59 L 8.17 4.20 0.00 1.70 1.72 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.52 3.90 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 1.00 0.00 0.00 1.06 0.00 0.00 61 D 9.25 4.59 0.00 2.97 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 62 K 8.91 3.89 0.00 1.97 2.09 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 63 R 7.85 3.77 0.00 1.54 1.55 0.00 2.97 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.27 0.00 64 F 8.04 4.78 0.00 3.19 3.06 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 65 R 7.07 4.24 0.00 1.95 1.92 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 66 G 9.16 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 67 R 8.10 4.74 0.00 1.85 2.12 0.00 3.16 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 68 A 7.69 5.21 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 69 E 8.69 4.54 0.00 2.01 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 2.17 2.22 0.00 70 L 8.69 4.82 0.00 1.81 1.70 1.31 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 M 9.06 4.28 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 72 G 8.06 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.48 4.99 0.00 2.82 2.67 0.00 0.00 6.97 7.65 0.00 0.00 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 M 8.95 4.38 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 75 D 8.62 4.57 0.00 2.60 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 76 H 7.92 4.78 0.00 3.23 3.15 0.00 5.92 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.47 2.48 0.00 1.38 0.79 0.00 1.15 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.65 0.95 7.81 78 V 7.68 4.76 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 1.01 0.00 0.00 0.93 0.00 0.00 79 C 9.06 4.89 0.00 1.73 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 0.00 0.00 0.00 0.00 80 N 8.50 4.52 0.00 2.67 2.82 0.00 0.00 6.54 6.74 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 81 L 8.75 4.64 0.00 0.34 0.49 0.51 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.00 4.90 0.00 1.68 1.60 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.73 5.05 0.00 1.42 1.45 0.49 1.03 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 84 K 8.64 4.57 0.00 1.63 1.70 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 85 D 8.34 4.57 0.00 2.70 2.63 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 86 L 8.50 4.16 0.00 1.79 1.59 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.43 4.92 0.00 1.81 1.61 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.56 7.81 88 P 0.00 4.48 0.00 2.19 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 89 E 8.14 4.03 0.00 1.93 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 2.32 2.34 0.00 90 D 8.25 4.57 0.00 2.85 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 91 S 8.36 4.70 0.00 4.00 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 92 G 7.94 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 93 T 7.68 5.30 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 1.41 0.00 0.00 94 Y 9.70 5.35 0.00 3.07 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 95 N 9.44 5.46 0.00 2.79 2.82 0.00 0.00 6.17 7.51 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 96 F 8.51 4.34 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.39 4.86 0.00 1.68 1.49 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.41 0.00 98 F 8.33 5.74 0.00 2.76 2.39 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 0.00 0.00 0.00 0.00 99 E 8.53 4.82 0.00 1.84 1.75 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 2.13 2.17 0.00 100 I 8.44 4.35 2.09 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.92 0.00 0.00 101 S 7.47 4.79 0.00 3.82 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 0.00 102 D 8.47 4.40 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 0.00 103 S 7.89 4.50 0.00 3.90 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 0.00 104 N 7.91 4.63 0.00 3.00 3.20 0.00 0.00 6.35 7.71 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 0.00 105 R 6.74 4.53 0.00 1.54 1.72 0.00 3.21 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 106 W 8.12 4.31 0.00 2.79 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 0.00 0.00 0.00 107 L 7.48 4.81 0.00 1.29 1.04 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.03 4.65 0.00 2.87 2.75 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 0.00 109 V 8.37 3.68 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 0.81 0.00 0.00 0.88 0.00 0.00 110 K 8.14 3.95 0.00 2.20 1.95 0.00 1.91 0.00 0.00 2.01 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.51 7.81 111 G 8.82 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 0.00 0.00 0.00 112 T 9.10 4.86 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 1.31 0.00 0.00 113 T 8.51 5.07 4.52 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 1.31 0.00 0.00 114 V 9.05 4.53 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 0.90 0.00 0.00 0.58 0.00 0.00 115 T 8.85 4.90 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 116 V 8.65 4.73 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 0.88 0.00 0.00 0.97 0.00 0.00 117 T 8.51 4.48 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 1.23 0.00 0.00 118 T 8.56 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 1.21 0.00 0.00 *119 D 7.97 4.44 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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.