NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3092 8.2649 123.5784 51.6197 19.9450 176.5015 2 Q 3.9750 8.3914 118.5475 54.9714 29.3723 170.5760 3 V 4.1629 8.8269 121.4226 61.2463 34.0174 175.7617 4 I 4.1951 8.0385 128.6628 60.4199 36.0083 175.0761 5 N 5.0256 8.2448 119.1968 52.0296 38.9751 174.5193 6 T 4.5991 7.6456 109.6610 60.4158 72.0755 175.0474 7 F 4.2995 8.4968 121.3611 61.4483 39.0297 177.9536 8 D 4.5484 8.3565 117.7256 57.0599 40.7001 178.7996 9 G 3.6896 7.9493 106.3382 48.0175 0.0000 175.9500 10 V 3.6661 8.2586 121.4847 65.3334 31.5597 177.8639 11 A 4.0891 8.3806 120.7512 55.4172 18.1963 179.3773 12 D 4.3148 8.7564 117.6980 57.5997 40.8804 178.3427 13 Y 3.9887 8.3401 120.1067 60.6326 38.7240 177.9745 14 L 4.1112 8.6015 120.1521 58.2431 41.5924 179.7135 15 Q 3.7426 7.7853 116.1819 59.0046 28.6590 178.8678 16 T 3.5457 7.6744 115.9306 66.3821 68.6738 175.8884 17 Y 4.0854 7.5556 115.2536 56.8297 38.8387 175.2096 18 H 2.9182 7.8363 116.6596 55.6099 26.8066 174.2077 19 K 4.5234 7.4661 114.1246 56.3379 34.6922 174.4737 20 L 4.2472 8.4144 119.9522 53.1855 42.0621 175.1062 21 P 3.7256 0.0000 0.0000 62.4213 31.6228 176.8521 22 D 4.4827 8.2183 117.5409 56.3422 40.9692 177.1675 23 N 4.5352 7.9589 115.8773 53.2455 37.6559 173.4449 24 Y 5.1897 7.3311 116.2723 56.7264 39.9358 175.2007 25 I 4.8861 8.6455 115.8397 59.2665 41.7350 174.7828 26 T 4.4820 8.7464 113.9198 61.4050 70.0858 175.0998 27 A 4.0818 9.0367 124.3163 55.3483 18.2434 179.9709 28 S 4.1216 8.1932 112.1619 61.9607 62.7209 176.2299 29 E 3.9471 8.4877 122.9260 58.6461 29.2767 179.3605 30 A 4.0618 8.5819 120.7513 55.3511 18.3899 179.3419 31 Q 4.0858 8.7821 116.7609 59.5646 28.6823 179.5076 32 A 4.0492 8.1094 119.9608 54.8941 18.4125 178.6599 33 L 4.4454 7.4217 113.5207 54.7935 41.9725 177.6371 34 G 4.0244 8.2205 108.0288 44.6105 0.0000 173.9422 35 W 4.4539 7.9405 129.8843 57.4760 31.2315 175.9006 36 V 3.7541 9.2082 124.5138 60.4648 32.5518 175.4436 37 A 3.7281 7.3679 130.9984 55.1461 18.1157 179.7437 38 S 4.4677 7.8519 107.4169 60.3055 63.3359 174.9846 39 K 4.1928 8.5566 120.0199 55.9677 32.8082 176.4331 40 G 3.4315 7.5932 107.0577 46.9224 0.0000 173.4987 41 N 5.1075 7.8092 110.3445 51.4091 38.7258 176.2072 42 L 3.8329 8.5753 122.9436 58.8244 41.7831 178.6980 43 A 4.3150 8.0696 119.0337 53.7477 19.3046 178.9006 44 D 4.4232 8.5746 117.1063 57.1551 41.1905 179.2996 45 V 3.9237 7.7593 109.4065 63.3026 32.5579 176.9101 46 A 4.6778 7.8671 122.1885 49.3559 19.6208 173.0498 47 P 4.4551 0.0000 0.0000 62.7701 32.2240 177.6469 48 G 3.8242 8.7294 109.3386 45.7331 0.0000 173.2992 49 K 4.6948 7.6381 118.6389 55.2570 34.2412 176.0266 50 S 4.5758 8.3907 116.5222 56.6042 67.6716 173.7392 51 I 4.3202 8.0256 123.2335 61.2229 37.9897 175.4161 52 G 4.2577 9.0428 112.5340 47.2351 0.0000 173.4164 53 G 4.3530 9.2577 109.6023 44.7447 0.0000 174.3479 54 D 4.7073 8.0462 119.6657 53.9268 42.3843 175.7491 55 I 4.2967 8.3397 122.1403 61.4824 37.9535 175.1837 56 F 4.8404 8.9037 129.7801 56.6927 40.4353 175.4567 57 S 4.0623 8.2983 121.5157 58.1777 63.7881 173.3455 58 N 3.4856 5.7700 118.7335 54.3349 36.8556 175.4133 59 R 3.7771 7.2397 116.6712 58.9856 30.7667 178.1933 60 E 4.1904 8.0515 114.7279 55.8023 29.9377 176.3731 61 G 3.8284 7.7891 106.8963 46.5275 0.0000 175.2925 62 K 4.1224 8.0270 120.2152 57.4546 32.7031 177.5081 63 L 3.7362 7.2463 118.6696 52.1599 42.4504 174.7481 64 P 4.3397 0.0000 0.0000 62.8168 31.8621 176.3067 65 G 4.1847 8.2989 111.0668 44.4135 0.0000 172.3773 66 K 4.3574 7.9503 118.1099 54.7732 34.8726 174.6472 67 S 4.1971 8.6398 118.6645 60.0761 62.3712 174.8518 68 G 3.8664 8.8576 115.1741 45.4659 0.0000 172.9157 69 R 4.0267 7.6789 120.6540 55.4852 31.0290 175.3183 70 T 4.7302 8.0696 114.2548 59.6566 72.5026 172.5976 71 W 5.1699 8.5116 120.2818 55.0428 33.3902 174.6550 72 R 5.2902 8.5653 119.8389 54.5349 34.4239 173.8466 73 E 5.3955 8.8667 117.2865 55.2327 33.8003 174.0718 74 A 4.9172 8.6845 119.8378 50.9044 22.9894 175.6668 75 D 5.0518 9.1838 120.8687 54.3758 41.7059 176.1826 76 I 4.4796 8.0313 121.3776 60.2717 40.8352 175.9046 77 N 4.3583 8.9428 121.5302 54.0884 36.3697 173.5717 78 Y 4.3247 7.3388 120.5130 57.3808 39.5223 174.4118 79 T 3.9707 7.0259 121.4453 63.7187 70.9034 174.0466 80 S 4.1273 6.4633 110.9420 59.2199 65.6240 175.3378 81 G 3.6888 8.5395 107.1252 44.8314 0.0000 173.2069 82 F 4.6434 8.4033 118.2050 56.8423 39.8022 175.1844 83 R 4.3581 8.7495 121.7205 56.5090 30.6218 175.4433 84 N 5.2929 8.4324 116.6646 51.6507 40.0300 174.7130 85 S 4.7057 8.5548 114.0016 58.7520 64.5723 172.6458 86 D 5.4994 8.5309 121.3593 53.4317 42.7428 175.7937 87 R 4.9758 8.9986 121.2776 54.5598 35.0562 173.7883 88 I 5.0958 9.0514 123.3016 59.5945 40.5516 174.1512 89 L 5.5152 9.5908 128.7787 53.1110 44.3664 175.0510 90 Y 5.6663 9.0682 122.0968 55.4003 41.6553 175.4455 91 S 3.8764 8.6751 118.3026 56.4920 64.9724 175.3218 92 S 3.4603 7.8253 114.8157 60.3808 62.7032 174.7589 93 D 4.5383 7.2613 118.6712 52.3284 39.3393 175.8913 94 W 3.7787 6.5225 116.7861 58.4262 27.1760 174.3952 95 L 4.5460 7.9318 118.1414 54.6321 42.9083 176.4207 96 I 5.4157 8.6021 122.6347 60.0867 40.7369 174.0966 97 Y 5.3656 10.0946 124.4722 55.9790 42.2341 174.4604 98 K 5.3371 9.0993 118.9466 55.7252 36.8573 175.0041 99 T 4.8052 8.9422 114.6575 60.7569 70.6295 174.1063 100 T 5.0084 8.9285 115.8690 60.6029 70.1098 173.6165 101 D 4.7842 7.3518 122.1413 54.1084 40.2817 174.9669 102 H 3.7863 8.6369 114.8572 58.9509 28.4824 173.5930 103 Y 3.1614 7.3788 111.4047 58.8308 36.7958 171.9599 104 Q 4.1388 7.8759 120.8584 58.5160 28.9258 176.6370 105 T 4.7083 8.1003 105.3980 59.6641 71.8756 172.8248 106 F 5.2295 8.5893 119.8851 56.1498 43.2094 174.4043 107 T 4.6904 8.8983 117.6936 61.3569 71.8321 173.4014 108 K 3.4654 8.6301 128.5838 56.1821 32.0991 176.3243 109 I 4.1368 8.6906 122.7358 61.8281 39.7197 176.4255 *110 R 4.1420 7.9087 123.0800 56.3222 29.9440 179.3390 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 A 8.26 4.31 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 2 Q 8.39 3.97 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 3 V 8.83 4.16 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 0.71 0.00 0.00 0.87 0.00 0.00 4 I 8.04 4.20 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.90 0.00 0.00 5 N 8.24 5.03 0.00 2.72 2.80 0.00 0.00 5.82 7.22 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 6 T 7.65 4.60 4.27 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 1.20 0.00 0.00 7 F 8.50 4.30 0.00 3.15 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 8 D 8.36 4.55 0.00 2.77 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 9 G 7.95 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 10 V 8.26 3.67 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 0.75 0.00 0.00 1.07 0.00 0.00 11 A 8.38 4.09 1.53 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 12 D 8.76 4.31 0.00 2.78 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 13 Y 8.34 3.99 0.00 3.26 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 14 L 8.60 4.11 0.00 1.90 1.82 0.73 0.50 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 15 Q 7.79 3.74 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 16 T 7.67 3.55 3.67 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 0.13 0.00 0.00 17 Y 7.56 4.09 0.00 2.55 2.81 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 18 H 7.84 2.92 0.00 3.03 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.47 4.52 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.64 7.81 20 L 8.41 4.25 0.00 1.66 1.49 0.82 0.44 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 21 P 0.00 3.73 0.00 2.01 0.85 0.00 3.60 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.72 0.00 22 D 8.22 4.48 0.00 2.62 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 23 N 7.96 4.54 0.00 2.80 2.87 0.00 0.00 6.16 7.57 0.00 0.00 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 7.33 5.19 0.00 3.06 2.90 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 25 I 8.65 4.89 1.87 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 1.31 0.57 0.90 0.00 0.00 26 T 8.75 4.48 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 1.27 0.00 0.00 27 A 9.04 4.08 1.56 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 28 S 8.19 4.12 0.00 4.11 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 0.00 29 E 8.49 3.95 0.00 2.18 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 0.00 2.37 2.39 0.00 30 A 8.58 4.06 1.26 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 0.00 0.00 31 Q 8.78 4.09 0.00 2.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 32 A 8.11 4.05 1.37 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 0.00 0.00 0.00 33 L 7.42 4.45 0.00 1.92 1.76 0.94 1.07 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 34 G 8.22 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 35 W 7.94 4.45 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 36 V 9.21 3.75 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 0.86 0.00 0.00 0.90 0.00 0.00 37 A 7.37 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.85 4.47 0.00 4.02 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 39 K 8.56 4.19 0.00 1.87 1.89 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 40 G 7.59 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 0.00 0.00 0.00 41 N 7.81 5.11 0.00 3.03 3.02 0.00 0.00 6.34 6.67 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 42 L 8.58 3.83 0.00 1.34 1.67 0.23 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.07 4.32 1.31 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 0.00 0.00 44 D 8.57 4.42 0.00 2.89 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 45 V 7.76 3.92 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 0.79 0.00 0.00 1.15 0.00 0.00 46 A 7.87 4.68 1.24 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 47 P 0.00 4.46 0.00 2.02 2.01 0.00 3.82 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 48 G 8.73 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 0.00 0.00 0.00 49 K 7.64 4.69 0.00 1.62 1.62 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.49 7.81 50 S 8.39 4.58 0.00 3.14 3.59 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 51 I 8.03 4.32 1.86 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.28 0.90 0.00 0.00 52 G 9.04 4.26 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 0.00 0.00 0.00 53 G 9.26 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 0.00 0.00 0.00 0.00 54 D 8.05 4.71 0.00 2.71 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 55 I 8.34 4.30 1.88 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 1.24 0.74 0.90 0.00 0.00 56 F 8.90 4.84 0.00 2.95 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 57 S 8.30 4.06 0.00 3.61 3.68 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 0.00 0.00 0.00 0.00 58 N 5.77 3.49 0.00 2.40 2.45 0.00 0.00 7.18 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 59 R 7.24 3.78 0.00 1.67 1.85 0.00 3.07 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 60 E 8.05 4.19 0.00 2.00 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 2.25 2.29 0.00 61 G 7.79 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 0.00 0.00 0.00 62 K 8.03 4.12 0.00 1.78 1.98 0.00 2.15 0.00 0.00 1.99 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 63 L 7.25 3.74 0.00 0.57 0.13 -0.70 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.34 0.00 2.31 2.15 0.00 3.14 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 2.32 2.22 0.00 65 G 8.30 4.18 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 0.00 66 K 7.95 4.36 0.00 1.75 1.56 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.38 7.81 67 S 8.64 4.20 0.00 3.85 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 68 G 8.86 3.87 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 0.00 0.00 0.00 69 R 7.68 4.03 0.00 1.61 1.89 0.00 3.27 0.00 0.00 2.56 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.00 70 T 8.07 4.73 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 1.15 0.00 0.00 71 W 8.51 5.17 0.00 3.50 3.15 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 72 R 8.57 5.29 0.00 0.67 1.43 0.00 3.06 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 73 E 8.87 5.40 0.00 2.01 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 2.34 2.36 0.00 74 A 8.68 4.92 1.02 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 75 D 9.18 5.05 0.00 2.72 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 76 I 8.03 4.48 1.29 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 -0.32 0.00 0.00 77 N 8.94 4.36 0.00 2.77 2.89 0.00 0.00 6.90 7.20 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 78 Y 7.34 4.32 0.00 2.95 2.80 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 79 T 7.03 3.97 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 1.03 0.00 0.00 80 S 6.46 4.13 0.00 3.81 3.63 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 81 G 8.54 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 0.00 0.00 0.00 82 F 8.40 4.64 0.00 3.15 3.09 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 83 R 8.75 4.36 0.00 1.97 1.97 0.00 3.21 0.00 0.00 3.54 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 84 N 8.43 5.29 0.00 2.82 2.92 0.00 0.00 5.95 7.64 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 85 S 8.55 4.71 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 86 D 8.53 5.50 0.00 2.88 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 87 R 9.00 4.98 0.00 1.57 1.75 0.00 3.55 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.09 0.00 88 I 9.05 5.10 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.91 1.09 0.00 0.00 89 L 9.59 5.52 0.00 1.61 1.48 0.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.07 5.67 0.00 3.09 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 91 S 8.68 3.88 0.00 2.79 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 92 S 7.83 3.46 0.00 3.72 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 93 D 7.26 4.54 0.00 2.72 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 94 W 6.52 3.78 0.00 3.54 3.39 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 95 L 7.93 4.55 0.00 1.86 1.95 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.60 5.42 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 1.13 0.00 0.00 97 Y 10.09 5.37 0.00 2.84 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 98 K 9.10 5.34 0.00 1.35 1.66 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.57 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.09 7.81 99 T 8.94 4.81 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 0.96 0.00 0.00 100 T 8.93 5.01 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 0.00 101 D 7.35 4.78 0.00 2.83 2.80 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 0.00 102 H 8.64 3.79 0.00 3.22 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.38 3.16 0.00 3.17 3.22 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 0.00 104 Q 7.88 4.14 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 105 T 8.10 4.71 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 1.18 0.00 0.00 106 F 8.59 5.23 0.00 2.91 3.09 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 0.00 107 T 8.90 4.69 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 1.15 0.00 0.00 108 K 8.63 3.47 0.00 1.09 1.43 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.16 0.72 7.81 109 I 8.69 4.14 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.80 0.00 0.00 *110 R 7.91 4.14 0.00 1.69 1.93 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.