NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9469 8.3431 109.7353 45.3740 0.0000 172.3803 *2 G 4.0222 7.9647 111.7549 44.6639 0.0000 175.1872 3 K 3.8972 8.8139 125.3730 59.0560 31.6919 177.8284 4 R 3.8765 8.1562 118.7191 59.6914 30.1237 178.1029 5 D 4.2709 7.8777 118.6357 57.3413 40.7307 178.4678 6 D 4.3615 7.9358 118.9938 57.1971 40.8067 178.7084 7 L 3.3162 7.8644 119.5918 57.5752 41.4727 179.5710 8 I 3.3874 7.5193 119.6545 64.0877 36.9282 178.2729 9 A 3.8619 7.8618 121.6005 55.1739 18.1130 179.4218 10 Q 3.7975 7.8498 117.9937 59.4942 29.0086 178.1033 11 Y 4.2408 7.8331 117.8714 61.1341 37.9005 178.5360 12 A 3.8514 8.2269 121.9203 55.0672 18.4731 179.2014 13 D 4.2325 8.2791 116.6620 57.5543 41.2501 178.1467 14 D 4.4271 8.4101 119.6604 57.4206 41.0157 178.7402 15 L 3.7819 7.9559 119.5022 57.6818 41.6460 179.7177 16 R 3.9165 7.9775 118.3907 59.4519 29.9930 177.8602 17 N 4.6406 8.4937 113.8075 53.9141 39.0755 176.0213 18 K 4.4720 8.2269 118.6329 56.8957 33.9944 176.7459 19 C 4.4166 7.5827 112.6146 58.5629 29.4152 172.9549 20 G 3.4752 7.2368 108.4020 45.5806 0.0000 172.0547 *22 E 3.9987 7.8788 118.5068 55.2510 30.5563 173.5142 23 P 4.2688 0.0000 0.0000 62.6450 32.2605 175.7969 24 D 4.5681 9.0587 121.6217 53.2518 43.0278 176.7757 *26 A 4.2636 8.3595 122.9045 52.1399 20.4656 178.8972 27 L 3.9543 8.2930 117.1333 58.1617 42.0392 178.7839 28 L 4.0696 8.5405 120.7530 58.3563 41.9618 178.7998 29 E 3.9804 8.1658 117.9362 59.3696 29.4480 179.3970 30 K 4.0431 7.9537 118.0594 59.3589 31.9027 179.5850 31 V 3.2906 7.5661 117.7208 66.1642 31.8120 177.8728 32 T 4.0105 8.1100 115.6080 66.5959 68.3261 176.4888 33 K 4.1160 8.3762 121.7054 59.5628 32.0078 179.0649 34 G 3.9187 8.2800 104.8792 47.8015 0.0000 175.0574 35 C 4.4407 8.2235 118.0558 61.4353 28.7031 174.9675 36 G 3.8972 8.5292 110.1758 46.1312 0.0000 174.1773 37 P 4.7154 0.0000 0.0000 64.7327 31.3663 177.9904 38 A 4.0412 7.6960 120.4846 55.6098 17.9223 179.5538 39 I 3.6370 7.1680 109.0632 63.7382 37.6402 177.2561 40 Y 4.5679 7.6676 116.3756 57.3105 38.5724 174.7147 41 N 4.7466 7.4270 120.4564 51.9423 39.9655 174.8737 42 R 3.9561 8.9483 126.6422 59.8892 30.2514 177.2763 43 D 4.4451 8.1624 115.4322 57.1487 41.0239 177.7530 44 A 4.1855 8.2942 121.0928 54.2721 18.7887 178.7222 45 S 4.3430 8.3118 111.0728 60.2420 63.5013 173.8420 46 T 4.9855 7.5857 109.5954 59.6366 71.8023 173.2779 47 V 4.4732 8.3933 122.4084 61.0741 33.8462 175.2833 48 A 4.2280 8.7171 130.6772 50.7326 18.0936 178.1495 49 G 3.6306 8.7935 111.4248 48.6230 0.0000 172.9916 50 S 4.6003 7.9624 112.3689 57.7741 63.5335 173.2896 51 D 4.7343 7.8407 121.2524 53.3562 42.0799 176.8371 52 T 3.8490 8.5001 118.3120 64.8515 68.8481 176.1248 53 A 3.9478 7.9373 123.1713 54.7566 18.4713 178.7728 54 E 3.9014 8.6650 118.0093 59.7353 29.7031 179.2090 55 L 4.0532 7.9271 118.7441 57.8635 41.6312 179.3750 56 E 4.0468 8.4729 118.6841 59.5834 29.3025 179.6292 57 T 3.9201 8.1040 115.9429 66.5739 68.5167 176.7572 58 I 3.8149 8.0104 121.8825 64.2664 36.9362 178.3052 59 K 3.9186 7.9397 119.2499 59.4398 32.1778 178.6879 60 K 4.0983 8.0161 117.6972 59.8645 32.9898 178.3095 61 N 4.5522 8.6335 117.8316 55.0407 38.8473 177.0036 62 F 4.1465 7.8490 121.1604 60.6922 39.9579 177.1298 63 L 3.6688 7.7734 115.9466 55.9902 40.9265 178.6348 *65 K 4.0707 7.7393 120.0146 56.3506 33.8467 176.8229 66 K 3.9259 7.6871 117.8765 59.4366 32.0984 178.1044 67 L 3.7589 7.4372 116.7861 55.2816 41.7311 178.1425 68 G 3.7725 7.9340 105.7487 45.7386 0.0000 173.4044 69 L 3.9840 7.4982 119.1133 53.6990 42.1483 177.2218 70 A 4.0827 8.1397 125.5113 51.5916 19.0762 176.7768 71 D 4.3708 8.4028 120.8062 54.2636 41.8944 175.7582 72 S 4.5785 8.2934 121.6125 57.7073 65.6888 175.6877 73 E 4.0718 8.8112 117.1750 58.9005 29.7193 178.5053 74 S 4.4136 7.7430 112.9812 61.4544 63.2897 176.4011 75 L 4.1202 8.0574 117.8990 56.0772 41.1854 178.6678 *77 G 3.9249 8.1971 110.0888 45.6329 0.0000 175.9608 78 G 3.4238 8.5078 107.0937 47.3862 0.0000 175.8010 79 I 3.8019 7.8703 122.3164 64.4130 37.1799 178.5225 80 Q 4.0359 8.0974 118.2357 58.9389 28.5702 178.7101 81 S 4.0540 8.1710 114.1415 61.5255 62.4855 176.4728 82 V 3.6771 7.9795 120.8825 65.6835 31.1749 178.0736 83 I 3.8125 7.9062 119.8857 64.3546 36.7143 178.1039 84 E 3.9837 8.1350 118.3209 59.8017 29.3813 179.2298 85 T 4.0376 7.8429 114.5543 66.8157 68.5783 175.7915 86 Y 4.5150 7.9656 120.5424 60.2856 39.1130 174.6483 87 G 3.7265 8.1898 109.2026 44.1865 0.0000 174.3506 88 R 3.7980 8.7648 127.8466 58.9115 30.1616 177.1874 89 S 4.4833 7.8308 109.3897 57.7920 63.4277 173.4307 90 E 3.8968 8.0416 125.9551 56.9853 29.6468 177.6146 91 R 4.0066 8.6246 125.1640 58.5381 29.8052 173.2114 92 N 4.4389 7.8757 116.4624 50.9850 38.1004 172.8763 93 K 3.1712 7.2611 119.2359 54.5034 31.7842 175.8277 94 Y 4.5580 8.3592 123.1217 57.4486 39.3448 176.8210 95 R 3.4908 8.8093 125.2651 59.5127 30.1414 178.6820 96 A 3.6885 7.3684 119.7902 54.8899 18.0140 179.6723 97 V 3.3246 7.0977 115.2723 66.0323 31.8098 177.8881 98 V 3.8349 7.7041 116.7658 66.3966 31.6007 177.2904 99 Y 4.1773 8.3553 116.8370 60.9633 37.5228 178.1852 100 Y 4.2655 8.0052 116.6776 58.6198 38.6353 177.5145 *102 L 4.4334 7.8404 120.0241 54.8642 44.0266 179.1684 103 T 4.0478 8.4685 115.2570 66.7977 68.9439 176.7783 104 K 4.0704 8.0735 120.7468 59.5901 32.3195 178.8638 105 H 3.9039 8.3171 117.3015 58.8293 29.6999 175.5596 106 F 4.6320 8.1407 114.9225 56.4607 39.0723 175.6458 107 G 4.0318 7.6975 108.4429 47.2146 0.0000 175.0638 108 K 4.5930 8.2426 115.4996 55.9863 33.2433 177.7807 109 E 4.1799 8.3266 122.4094 59.4844 29.3492 178.7923 110 S 4.1263 8.2199 113.9969 61.5500 62.5080 176.5567 111 V 3.4612 7.6077 120.9563 65.4328 31.1498 176.5341 112 Y 4.5039 7.8068 113.9059 57.0352 38.1182 175.8049 113 G 4.1792 8.0150 115.1781 45.9989 0.0000 173.7582 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 0 G 8.34 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 0.00 0.00 0.00 *2 G 7.96 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 3 K 8.81 3.90 0.00 1.87 1.95 0.00 1.79 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.52 7.81 4 R 8.16 3.88 0.00 2.12 1.98 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 5 D 7.88 4.27 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 6 D 7.94 4.36 0.00 2.76 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 7 L 7.86 3.32 0.00 1.37 0.72 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.52 3.39 1.74 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 1.49 0.91 0.86 0.00 0.00 9 A 7.86 3.86 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 10 Q 7.85 3.80 0.00 2.02 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 11 Y 7.83 4.24 0.00 2.96 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 12 A 8.23 3.85 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 13 D 8.28 4.23 0.00 2.81 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 14 D 8.41 4.43 0.00 3.04 2.72 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 15 L 7.96 3.78 0.00 1.64 1.55 0.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.98 3.92 0.00 1.86 2.01 0.00 3.06 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 17 N 8.49 4.64 0.00 2.79 2.86 0.00 0.00 7.00 7.63 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 18 K 8.23 4.47 0.00 1.94 2.01 0.00 1.94 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 1.46 1.46 7.81 19 C 7.58 4.42 0.00 3.11 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 20 G 7.24 3.48 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 0.00 0.00 0.00 *22 E 7.88 4.00 0.00 1.97 1.96 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 2.20 2.31 0.00 23 P 0.00 4.27 0.00 2.07 1.82 0.00 3.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 24 D 9.06 4.57 0.00 2.79 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 *26 A 8.36 4.26 1.39 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 27 L 8.29 3.95 0.00 1.93 1.98 0.81 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.54 4.07 0.00 1.62 1.66 0.76 0.85 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 29 E 8.17 3.98 0.00 2.20 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 2.40 2.41 0.00 30 K 7.95 4.04 0.00 1.90 2.00 0.00 1.80 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.61 7.81 31 V 7.57 3.29 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 0.95 0.00 0.00 0.34 0.00 0.00 32 T 8.11 4.01 4.48 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 1.29 0.00 0.00 33 K 8.38 4.12 0.00 1.98 2.04 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 34 G 8.28 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 35 C 8.22 4.44 0.00 3.18 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 36 G 8.53 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 37 P 0.00 4.72 0.00 2.38 2.43 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 38 A 7.70 4.04 1.39 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 39 I 7.17 3.64 1.71 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 1.14 -0.36 0.85 0.00 0.00 40 Y 7.67 4.57 0.00 3.05 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 41 N 7.43 4.75 0.00 2.73 2.86 0.00 0.00 6.65 7.79 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 42 R 8.95 3.96 0.00 1.82 1.99 0.00 3.36 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 43 D 8.16 4.45 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 44 A 8.29 4.19 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.31 4.34 0.00 4.18 4.41 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 0.00 0.00 0.00 0.00 46 T 7.59 4.99 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 0.97 0.00 0.00 47 V 8.39 4.47 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 0.77 0.00 0.00 0.85 0.00 0.00 48 A 8.72 4.23 1.22 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 49 G 8.79 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 0.00 0.00 0.00 50 S 7.96 4.60 0.00 3.94 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 51 D 7.84 4.73 0.00 2.82 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 52 T 8.50 3.85 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 1.22 0.00 0.00 53 A 7.94 3.95 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.67 3.90 0.00 2.17 2.20 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 2.56 2.44 0.00 55 L 7.93 4.05 0.00 1.78 1.74 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.47 4.05 0.00 2.12 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 2.59 2.51 0.00 57 T 8.10 3.92 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 1.27 0.00 0.00 58 I 8.01 3.81 2.12 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 1.69 0.90 1.05 0.00 0.00 59 K 7.94 3.92 0.00 1.79 2.02 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.41 7.81 60 K 8.02 4.10 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.74 1.49 7.81 61 N 8.63 4.55 0.00 2.92 2.96 0.00 0.00 6.65 7.87 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 62 F 7.85 4.15 0.00 2.61 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 63 L 7.77 3.67 0.00 1.78 1.37 0.89 0.66 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 *65 K 7.74 4.07 0.00 2.04 2.07 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.01 7.81 66 K 7.69 3.93 0.00 1.71 1.54 0.00 1.97 0.00 0.00 2.05 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.15 1.24 7.81 67 L 7.44 3.76 0.00 1.49 1.44 0.75 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.93 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 69 L 7.50 3.98 0.00 1.50 1.33 0.21 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.14 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 71 D 8.40 4.37 0.00 2.59 2.57 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 0.00 0.00 0.00 0.00 72 S 8.29 4.58 0.00 4.00 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 73 E 8.81 4.07 0.00 2.01 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 2.23 1.88 0.00 74 S 7.74 4.41 0.00 4.10 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 75 L 8.06 4.12 0.00 1.81 1.66 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *77 G 8.20 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 78 G 8.51 3.42 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 0.00 79 I 7.87 3.80 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.09 0.98 0.00 0.00 80 Q 8.10 4.04 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 81 S 8.17 4.05 0.00 3.94 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 82 V 7.98 3.68 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 1.05 0.00 0.00 0.92 0.00 0.00 83 I 7.91 3.81 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.71 0.91 0.00 0.00 84 E 8.14 3.98 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 2.36 2.51 0.00 85 T 7.84 4.04 4.42 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 1.21 0.00 0.00 86 Y 7.97 4.52 0.00 3.15 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 87 G 8.19 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 0.00 0.00 0.00 88 R 8.76 3.80 0.00 1.95 1.97 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 89 S 7.83 4.48 0.00 3.98 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 90 E 8.04 3.90 0.00 1.81 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 0.00 1.80 1.83 0.00 91 R 8.62 4.01 0.00 1.87 1.83 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 92 N 7.88 4.44 0.00 2.38 1.99 0.00 0.00 7.06 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 93 K 7.26 3.17 0.00 1.66 1.37 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.07 7.81 94 Y 8.36 4.56 0.00 3.04 2.68 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 95 R 8.81 3.49 0.00 1.57 1.58 0.00 2.81 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 96 A 7.37 3.69 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.10 3.32 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 0.33 0.00 0.00 0.89 0.00 0.00 98 V 7.70 3.83 2.20 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 1.05 0.00 0.00 1.15 0.00 0.00 99 Y 8.36 4.18 0.00 2.68 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 0.00 100 Y 8.01 4.27 0.00 3.04 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 *102 L 7.84 4.43 0.00 2.30 2.16 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.47 4.05 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 104 K 8.07 4.07 0.00 1.71 1.77 0.00 1.60 0.00 0.00 1.17 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.04 1.17 7.81 105 H 8.32 3.90 0.00 2.93 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.14 4.63 0.00 3.12 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 0.00 107 G 7.70 4.03 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 0.00 0.00 0.00 108 K 8.24 4.59 0.00 1.79 1.76 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.53 7.81 109 E 8.33 4.18 0.00 2.08 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 2.37 2.40 0.00 110 S 8.22 4.13 0.00 4.03 4.14 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 0.00 111 V 7.61 3.46 1.86 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 0.33 0.00 0.00 0.80 0.00 0.00 112 Y 7.81 4.50 0.00 3.20 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 0.00 113 G 8.01 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 * Residues marked with a * may have inaccurate shift predictions.