NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3020 8.2993 121.8065 56.3135 33.2488 174.2973 4 V 4.4682 8.1131 116.0670 59.1166 34.0487 173.0840 5 C 4.5174 10.1035 124.8590 58.7691 32.7923 175.5811 6 E 4.2091 8.5267 126.5669 58.0706 28.8517 176.5741 7 I 4.3743 6.8261 117.2463 62.4102 40.6515 177.3584 8 S 4.0905 7.6860 116.0941 59.5160 63.1835 176.8389 9 G 4.4452 7.5425 106.5464 45.2779 0.0000 174.1182 10 K 3.8465 7.3067 119.8969 57.0389 32.5871 175.9064 11 R 5.1611 7.9697 117.0538 53.5785 32.7958 172.2675 12 P 4.6147 0.0000 0.0000 62.5467 31.9852 175.8969 13 I 4.4325 8.1072 116.7723 59.0800 40.4730 174.9893 14 V 4.1479 8.1739 122.8735 63.0672 32.5690 174.5788 15 A 4.7756 8.7495 126.8979 50.9939 23.4755 174.2798 16 N 5.2954 8.4445 114.7897 51.7324 42.4467 174.9039 17 S 4.4499 9.5690 119.7597 57.6911 63.2289 172.5557 18 I 4.6218 8.2505 128.5055 60.1601 38.7470 176.0519 19 Q 4.4828 8.8928 125.8333 54.2522 30.3233 175.3444 20 R 5.2213 8.1782 122.8270 53.3034 32.6924 176.8643 21 R 4.4759 8.3101 122.1748 54.4356 34.1183 179.8318 22 G 3.5224 8.8007 119.0918 47.3259 0.0000 170.8052 23 K 4.3420 7.9806 118.9043 54.4415 33.6813 175.3559 24 A 4.0730 8.3775 128.8424 51.6218 19.4402 178.1600 25 K 4.0746 8.7995 121.6959 59.6164 32.3948 178.8380 26 R 3.9519 7.9745 113.5045 58.5336 29.0307 175.7951 27 E 4.6451 7.4558 114.5768 54.4061 33.5624 180.3943 28 G 3.8765 8.5100 109.3349 45.9421 0.0000 176.9560 29 G 3.6790 8.8759 117.5716 43.3179 0.0000 174.4028 30 V 3.1272 9.5812 112.6957 61.5725 31.5254 172.6135 31 G 4.1619 7.5018 106.1868 43.8255 0.0000 173.7805 32 K 4.4818 8.3423 121.0481 56.1991 33.6263 176.6400 33 K 4.5939 8.2489 119.9207 54.9142 36.3541 175.9131 34 T 4.1787 8.7732 122.2766 63.6468 68.9583 174.5181 35 T 4.5105 9.8610 124.9271 60.0311 67.9825 172.2934 36 G 3.2842 7.5471 105.7378 43.8304 0.0000 172.9471 37 I 5.2362 8.0937 127.5319 59.3729 39.9334 175.3245 38 S 4.7439 8.8371 120.7183 56.0317 66.6929 173.2005 39 K 4.7500 8.7539 124.3105 56.6837 32.7490 175.7958 40 R 4.8967 9.0752 123.1581 54.6021 33.6237 173.8994 41 R 5.1156 8.6140 116.5415 54.4584 33.9583 175.2541 42 Q 4.7889 8.8386 121.1635 54.5360 31.2517 174.2582 43 Y 4.9265 8.8892 121.8537 55.4857 40.4054 174.5771 44 P 4.5487 0.0000 0.0000 62.9094 32.3765 175.9831 45 N 4.8972 8.2383 115.1429 52.3610 37.2383 173.9313 46 L 4.6458 7.8334 120.7801 54.8218 43.3333 177.0762 47 Q 4.6624 8.8002 120.2443 54.4699 33.7879 173.8647 48 K 4.6605 8.7091 122.6290 55.7860 33.3687 176.1899 49 V 4.3703 8.6210 125.3222 61.2285 33.7842 174.4108 50 R 4.8383 8.6795 127.5076 54.8483 31.1396 176.0098 51 V 4.0602 8.5785 123.6362 60.0148 34.7424 175.5956 52 R 3.9419 8.9625 120.3826 53.7236 30.4491 174.4489 53 V 3.0537 8.3423 122.2308 64.3744 33.7226 172.7425 54 A 3.6052 8.2215 128.1081 53.5619 18.0568 178.4331 55 G 3.9715 8.9000 105.9125 48.6625 0.0000 173.3682 56 Q 4.3506 7.7025 117.0526 54.5502 30.0604 174.9309 57 E 4.2967 8.3072 120.9524 56.6156 30.9155 175.5369 58 I 4.4192 8.1402 121.6347 60.0546 41.8230 173.2232 59 T 5.6049 8.0170 117.8987 59.0877 72.0335 173.1717 60 F 5.0731 8.3239 120.5394 56.1121 42.9840 174.3885 61 R 4.8270 10.1112 124.8626 55.8020 29.9460 175.8977 62 V 4.6483 8.6478 123.3784 59.1566 33.9999 176.0418 63 A 4.5477 8.4245 124.2717 52.3222 18.8391 177.8184 64 A 4.3751 7.7466 117.0458 54.1104 19.1012 179.3169 65 S 4.4075 8.1113 109.7457 61.2261 63.7209 175.3544 66 H 4.6554 8.1873 116.0773 55.4340 28.5924 176.7348 67 I 3.7086 7.2164 122.1893 64.0755 36.9873 176.1482 68 P 4.2337 0.0000 0.0000 66.1519 31.1847 178.0342 69 K 3.8258 7.5727 120.0525 58.7187 31.3949 178.6719 70 V 3.3939 7.7957 118.2678 66.3556 31.4566 177.4294 71 Y 3.8217 8.3144 116.4609 61.0073 37.5741 178.6886 72 E 4.0039 7.8463 119.9438 59.1684 29.6822 178.3230 73 L 4.0941 7.6799 117.5785 56.6654 41.8089 177.9697 74 V 3.9865 7.1850 116.6731 64.9535 32.3518 176.9829 75 E 4.1150 8.7380 119.9171 59.0691 29.2928 178.6180 76 R 3.9160 7.9672 116.4237 59.3532 30.3666 178.4383 77 A 4.1811 7.3179 117.7824 53.4804 18.3757 179.1091 78 K 4.1883 7.6035 117.0579 58.5410 33.4899 178.3778 79 G 3.8915 7.6309 109.0841 43.1438 0.0000 171.7312 80 L 4.4121 7.3236 124.3755 54.5906 45.5040 175.9124 81 K 4.3430 8.2803 122.1430 54.7609 30.4065 175.5925 82 L 4.8073 8.1186 120.3478 51.6133 44.7124 177.0650 83 E 4.7082 9.1363 117.1009 58.0827 33.3604 175.5409 84 G 3.5694 8.4645 108.6964 47.5397 0.0000 174.8648 85 L 3.5424 6.8575 123.7347 55.8966 38.0380 176.5654 86 S 5.8338 7.5742 121.2022 55.8131 63.7380 173.9419 87 P 4.1604 0.0000 0.0000 66.3596 31.3241 177.5693 88 K 4.1057 7.8174 119.5313 57.6959 32.2881 178.9638 89 E 3.9564 8.0149 118.8447 59.5457 29.5807 178.6493 90 I 3.7004 8.0915 120.2144 64.2276 36.8914 178.2170 91 K 4.0105 7.4431 118.0047 59.5603 32.1525 178.2905 92 K 4.0919 7.7810 118.2805 59.6754 32.1842 178.1375 93 E 4.1459 8.3441 117.9830 58.9119 30.7757 178.9251 94 L 4.2867 8.0596 118.9492 55.6155 37.4892 176.8357 95 L 3.4715 7.6886 127.5220 57.2611 42.8552 174.7160 *96 K 4.1330 7.8815 121.0888 54.7474 32.3453 177.0151 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 3 K 8.30 4.30 0.00 1.76 1.87 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 V 8.11 4.47 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 0.77 0.00 0.00 1.02 0.00 0.00 5 C 10.10 4.52 0.00 2.88 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 6 E 8.53 4.21 0.00 2.01 2.07 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 2.41 2.50 0.00 7 I 6.83 4.37 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 0.99 0.00 0.00 8 S 7.69 4.09 0.00 3.76 3.01 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 9 G 7.54 4.45 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 10 K 7.31 3.85 0.00 1.75 1.75 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.35 7.81 11 R 7.97 5.16 0.00 1.80 1.85 0.00 3.01 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 12 P 0.00 4.61 0.00 1.42 1.58 0.00 3.66 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 1.77 1.73 0.00 13 I 8.11 4.43 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.91 0.00 0.00 14 V 8.17 4.15 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 0.75 0.00 0.00 0.89 0.00 0.00 15 A 8.75 4.78 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 16 N 8.44 5.30 0.00 2.56 2.68 0.00 0.00 6.77 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 17 S 9.57 4.45 0.00 3.87 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 18 I 8.25 4.62 1.87 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 1.35 0.59 0.91 0.00 0.00 19 Q 8.89 4.48 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 20 R 8.18 5.22 0.00 1.69 1.88 0.00 3.22 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 21 R 8.31 4.48 0.00 1.63 0.97 0.00 3.35 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 22 G 8.80 3.52 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 0.00 0.00 0.00 0.00 23 K 7.98 4.34 0.00 1.76 1.66 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 24 A 8.38 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.07 0.00 1.76 1.88 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 26 R 7.97 3.95 0.00 1.91 2.11 0.00 2.99 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 27 E 7.46 4.65 0.00 2.00 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 2.24 2.21 0.00 28 G 8.51 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 0.00 0.00 0.00 29 G 8.88 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 0.00 0.00 0.00 30 V 9.58 3.13 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.50 4.16 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 0.00 32 K 8.34 4.48 0.00 1.66 1.76 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.47 7.81 33 K 8.25 4.59 0.00 1.64 1.64 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.60 7.81 34 T 8.77 4.18 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 1.24 0.00 0.00 35 T 9.86 4.51 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 1.25 0.00 0.00 36 G 7.55 3.28 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 0.00 37 I 8.09 5.24 1.87 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 1.40 0.73 0.91 0.00 0.00 38 S 8.84 4.74 0.00 3.86 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 39 K 8.75 4.75 0.00 1.78 1.77 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.50 7.81 40 R 9.08 4.90 0.00 1.91 2.01 0.00 2.79 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 41 R 8.61 5.12 0.00 1.82 1.48 0.00 3.14 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 42 Q 8.84 4.79 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 43 Y 8.89 4.93 0.00 2.75 2.89 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 44 P 0.00 4.55 0.00 2.20 2.12 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 45 N 8.24 4.90 0.00 2.84 2.76 0.00 0.00 6.94 6.66 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 46 L 7.83 4.65 0.00 1.61 1.62 0.95 1.03 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 47 Q 8.80 4.66 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 48 K 8.71 4.66 0.00 1.66 1.76 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 V 8.62 4.37 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 1.11 0.00 0.00 1.07 0.00 0.00 50 R 8.68 4.84 0.00 1.73 1.86 0.00 3.20 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 51 V 8.58 4.06 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 0.83 0.00 0.00 0.74 0.00 0.00 52 R 8.96 3.94 0.00 1.82 1.86 0.00 3.52 0.00 0.00 3.14 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 53 V 8.34 3.05 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 0.76 0.00 0.00 0.97 0.00 0.00 54 A 8.22 3.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 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 0.00 0.00 0.00 56 Q 7.70 4.35 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 57 E 8.31 4.30 0.00 1.95 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 2.22 2.26 0.00 58 I 8.14 4.42 1.75 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 0.74 0.94 0.83 0.00 0.00 59 T 8.02 5.60 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 1.13 0.00 0.00 60 F 8.32 5.07 0.00 2.95 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 61 R 10.11 4.83 0.00 1.79 1.95 0.00 3.08 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 62 V 8.65 4.65 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 0.80 0.00 0.00 0.96 0.00 0.00 63 A 8.42 4.55 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 64 A 7.75 4.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.41 0.00 4.04 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 66 H 8.19 4.66 0.00 3.23 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.22 3.71 1.92 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 1.65 1.31 1.03 0.00 0.00 68 P 0.00 4.23 0.00 2.25 2.28 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 69 K 7.57 3.83 0.00 1.71 1.87 0.00 1.49 0.00 0.00 1.50 0.00 0.00 3.43 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81 70 V 7.80 3.39 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 0.83 0.00 0.00 0.92 0.00 0.00 71 Y 8.31 3.82 0.00 3.25 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 72 E 7.85 4.00 0.00 1.88 2.16 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 2.31 2.32 0.00 73 L 7.68 4.09 0.00 1.71 1.69 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.18 3.99 2.16 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 0.87 0.00 0.00 0.95 0.00 0.00 75 E 8.74 4.11 0.00 2.14 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 2.32 2.40 0.00 76 R 7.97 3.92 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 77 A 7.32 4.18 1.35 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 78 K 7.60 4.19 0.00 1.95 1.91 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.69 7.81 79 G 7.63 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 0.00 0.00 0.00 80 L 7.32 4.41 0.00 1.58 1.52 0.93 0.71 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 81 K 8.28 4.34 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.40 7.81 82 L 8.12 4.81 0.00 1.58 1.56 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.14 4.71 0.00 2.12 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 2.03 2.10 0.00 84 G 8.46 3.57 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 0.00 85 L 6.86 3.54 0.00 1.71 1.90 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.57 5.83 0.00 3.83 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 87 P 0.00 4.16 0.00 2.21 2.23 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 88 K 7.82 4.11 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.51 7.81 89 E 8.01 3.96 0.00 2.05 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 2.39 2.39 0.00 90 I 8.09 3.70 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 1.66 0.94 0.93 0.00 0.00 91 K 7.44 4.01 0.00 1.89 2.03 0.00 1.56 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.63 1.62 7.81 92 K 7.78 4.09 0.00 1.81 2.00 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.55 7.81 93 E 8.34 4.15 0.00 2.16 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 2.62 2.51 0.00 94 L 8.06 4.29 0.00 1.92 1.70 1.08 0.94 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 95 L 7.69 3.47 0.00 1.69 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.88 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.