NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.3280 8.2493 123.5838 52.0502 20.0241 176.8400 17 N 4.4444 8.4152 112.2999 51.9006 39.4620 173.0011 18 P 4.3113 0.0000 0.0000 66.1234 31.7085 179.6906 19 N 4.3523 8.2234 114.4494 56.6098 38.5943 176.9484 20 E 3.9855 8.9283 120.5748 59.0233 29.7052 178.6815 21 A 3.9168 8.2068 121.0917 55.1059 18.2615 178.8267 22 Y 4.2537 8.4783 117.2655 61.0629 38.9803 178.1730 23 R 3.9068 7.5782 117.2879 59.6894 30.4344 177.9480 24 H 4.1437 7.9760 117.4766 59.6509 29.7057 178.0643 25 Y 4.3049 7.4507 115.3108 58.3228 37.6767 178.3990 *27 K 3.9676 7.9782 121.7815 56.3724 34.1755 177.3654 28 K 3.9121 8.1590 119.5215 59.9270 32.0752 178.6067 29 L 4.1101 8.0909 118.7714 57.2721 41.2547 179.1868 30 S 4.2539 7.9866 113.4447 60.1745 63.4505 174.1709 31 Y 4.9374 7.5976 119.1045 57.9742 39.1759 174.5727 32 E 5.1080 7.7546 115.5244 55.9352 33.5461 174.0354 33 T 4.6152 8.5015 111.1688 61.3737 71.4874 172.3629 34 D 5.0524 8.4293 126.6511 51.7726 42.3256 177.0371 35 I 3.8596 8.5453 118.4674 64.7396 36.7262 178.1258 36 A 3.9615 8.0852 120.9470 55.4608 18.1864 179.1268 37 D 4.3563 9.0923 117.0963 57.2265 40.8956 179.2124 38 L 4.0143 8.0300 120.9841 58.3249 42.1733 178.9422 39 S 4.4856 8.4695 114.3139 62.0559 62.4877 176.3933 40 I 3.7330 7.6966 123.1210 64.3420 36.8951 177.9716 41 D 4.5835 8.1379 119.6223 57.4347 40.5859 179.2969 42 I 3.9349 7.9391 120.4690 63.9181 37.0790 178.4120 43 K 3.9950 8.1645 118.5598 59.5455 31.9444 178.1305 44 K 4.3182 8.5739 115.6819 55.5838 31.9126 176.8886 45 G 4.0630 7.7199 106.5691 46.3618 0.0000 173.8376 46 Y 4.4196 8.4084 119.8863 57.7180 39.4722 175.6622 47 E 4.4790 8.2425 124.3315 56.2086 30.3694 176.5394 48 G 3.6611 5.6479 105.0460 45.4080 0.0000 173.4252 49 I 5.2319 7.0695 112.6000 59.0135 41.5294 175.3712 50 I 4.3812 8.4087 122.4647 59.5226 40.7033 174.8750 51 V 4.1761 8.3403 128.5398 62.4921 32.6408 174.6570 52 V 4.6216 8.8543 128.9565 61.0065 34.1035 173.7261 53 D 3.4970 9.0184 128.8631 53.4092 41.7139 176.7034 54 V 4.2111 7.8785 125.8465 63.2405 33.2445 176.1788 55 R 4.3572 7.6833 119.2424 55.9231 30.9366 175.4670 56 D 4.6798 8.5935 117.7418 54.4518 42.6442 177.4736 57 A 3.9875 8.6011 123.8970 55.5624 18.2881 179.9264 58 E 3.9502 8.2650 116.9619 59.3197 29.5778 178.6842 59 A 4.1440 8.0891 119.4906 55.4487 18.8403 178.3564 60 Y 4.0059 7.9684 117.5242 60.8291 38.9290 178.0749 61 K 3.9738 8.5442 120.4725 59.9005 32.1390 178.5910 62 E 4.1573 8.1713 118.5231 58.0575 29.2924 176.2108 63 C 4.9840 7.3009 114.5465 58.9085 35.2629 172.8329 64 H 4.9188 8.8104 121.5761 53.8035 32.6095 172.4468 65 I 3.7180 8.3495 119.5861 59.8630 37.9924 174.5433 66 P 4.5117 0.0000 0.0000 63.8404 31.5778 176.7990 67 T 3.3825 8.7009 114.9559 61.9410 66.3303 171.1034 68 A 4.7806 7.6927 122.3674 52.1685 19.7798 177.3282 69 I 4.3271 8.7681 115.7635 59.6360 40.7896 174.2584 70 S 4.3933 7.8336 117.2047 56.5748 63.5720 174.1102 71 I 4.3684 8.4018 128.2419 58.9107 40.0426 171.6270 72 P 4.4402 0.0000 0.0000 62.0017 32.0612 177.0811 73 G 3.7537 9.2235 114.3056 48.9265 0.0000 174.8510 74 N 4.5810 8.0820 113.7612 53.6111 37.3834 175.2467 75 K 4.3509 8.1352 117.6815 56.0981 32.8967 176.0576 76 I 3.5121 7.3567 121.2326 61.4625 37.0098 174.9027 77 N 4.6324 8.1785 121.9732 52.0114 40.5322 175.0800 78 E 4.0242 8.7127 116.7461 59.8317 29.7660 179.4537 79 D 4.4093 8.2850 117.6118 57.5472 40.9059 177.6926 80 T 4.1308 8.3874 107.3247 63.0076 69.4599 175.2726 81 T 4.5786 7.6278 111.9820 61.1456 69.0074 176.2966 82 K 4.0820 7.6520 122.7165 60.0056 32.6052 177.9877 83 R 4.3347 7.8901 115.8108 56.1621 30.6107 175.9329 84 L 4.4843 7.5295 119.1546 53.5257 42.7849 176.3099 85 S 4.5333 8.5836 118.1495 57.1409 63.7309 175.0709 86 K 4.0110 8.6034 124.1849 57.8150 31.7960 177.5012 87 E 4.1752 7.9667 118.4232 57.9131 29.9653 176.6988 88 K 4.5802 8.0367 117.7784 55.2051 34.2741 176.2274 89 V 4.4177 8.7578 122.1376 61.8088 33.4794 174.7653 90 I 4.4589 8.6450 129.0508 60.4544 38.9698 174.8588 91 I 5.0099 8.3157 127.4675 59.8770 39.2063 174.7931 92 T 4.9891 8.4304 118.3623 60.7439 71.3501 173.4245 93 Y 4.8773 8.0175 119.9315 56.3548 41.8439 172.9381 94 C 5.2903 8.6026 121.7699 55.8596 44.8059 173.9029 95 W 4.0483 9.4853 114.6216 58.8977 29.6999 176.2971 96 G 4.4483 7.8212 105.5275 45.6257 0.0000 171.4386 97 P 4.2505 0.0000 0.0000 65.3477 31.4076 177.0576 98 A 4.3606 8.1393 118.4654 52.7411 19.1604 177.2924 99 C 4.8896 8.0840 115.8471 55.1949 46.7037 173.6408 100 N 4.8188 8.4588 120.3154 52.6422 39.1689 176.8951 101 G 3.8333 8.0888 108.1836 48.1358 0.0000 175.1095 102 A 4.0122 8.1435 123.1615 55.1245 18.2559 179.7155 103 T 3.8048 7.8330 113.2923 66.8673 68.8067 176.9489 104 K 3.9770 8.2097 120.1406 59.3464 31.9375 179.2863 105 A 4.0201 8.7689 121.2515 55.0578 18.2265 179.4251 106 A 4.0145 8.3389 119.1972 55.3111 18.3964 179.7324 107 A 3.9483 7.8780 118.7484 55.3362 18.3615 180.0496 108 K 3.8969 7.9475 116.5761 59.6348 32.1196 179.6882 109 F 4.0744 8.5938 118.1677 60.4864 38.8272 177.6479 110 A 4.5158 8.6237 122.1918 54.4985 17.9478 179.4568 111 Q 4.0655 8.1480 117.6799 58.8119 29.0822 177.2253 112 L 4.5782 7.5345 118.4307 54.3897 41.8010 177.5428 113 G 3.8462 7.8417 106.1618 45.8957 0.0000 174.1796 114 F 4.5744 8.1865 118.9403 56.6089 41.3377 174.5141 115 R 4.9332 8.7027 120.6033 54.9307 31.4085 175.1034 116 V 5.0878 8.4672 125.0011 60.0324 35.1118 174.9671 117 K 5.0284 9.2195 120.4490 54.8296 36.8909 175.2130 118 E 4.9179 8.9106 121.8359 54.3206 32.3013 174.8560 119 L 4.9867 8.8446 125.5626 53.8014 43.1891 175.6189 120 I 4.0151 8.2486 121.4244 62.1164 38.1606 175.2994 121 G 3.9883 9.3649 112.3298 44.1539 0.0000 175.1624 122 G 4.3103 7.7872 107.3142 44.9349 0.0000 173.5819 123 I 3.6989 7.9557 116.4649 62.9520 37.6490 177.8542 124 E 3.8822 8.2818 120.6821 59.9670 29.6257 178.0904 125 Y 3.9492 8.2203 115.7868 59.7023 38.1756 177.6476 126 W 4.0664 7.9241 129.2884 60.0903 30.6974 178.0974 127 R 3.9476 7.9309 117.7239 58.8771 29.6657 178.8884 128 K 3.9434 7.6853 116.4800 58.2440 32.1470 177.7355 129 E 4.5346 7.7912 118.8144 56.3776 31.3090 174.8595 130 N 3.9825 7.8394 112.9504 54.3366 38.2696 173.7879 131 G 3.1843 7.1934 103.8713 43.7310 0.0000 173.9674 132 E 4.4635 8.4776 121.4452 55.5337 30.6824 176.4938 133 V 4.6774 8.0866 113.7507 59.6881 35.2445 174.9150 134 E 4.5764 9.9340 121.4041 54.3372 32.1218 177.2337 135 G 4.0006 7.8788 106.6456 44.8534 0.0000 172.7667 136 T 4.0815 7.9647 116.6676 65.9709 68.7647 176.0355 137 L 4.5125 8.3005 119.5952 53.6772 44.0973 178.2385 138 G 3.7933 7.6869 107.5979 46.5649 0.0000 175.5895 139 A 4.2291 8.7298 126.8168 53.1222 18.0998 178.4186 140 K 4.2259 8.2726 114.9426 56.7786 32.7552 177.3565 141 A 4.2756 7.5901 121.9797 51.5454 18.9046 177.1422 142 D 4.5864 8.5410 119.7584 54.5933 41.5817 176.9552 143 L 4.1336 8.5825 124.1796 56.9781 42.4572 176.8405 144 F 5.0618 7.6964 114.6568 54.7540 41.6396 174.8383 145 W 2.7306 8.0295 132.2102 56.9383 30.9556 175.2085 146 N 4.1993 7.2236 123.2251 51.6780 40.4700 174.9595 *148 K 4.1662 8.2810 117.3309 55.8292 33.9431 177.1026 149 K 4.0568 7.3773 118.2199 56.2642 32.5212 176.8719 150 E 4.2090 8.6101 121.0514 56.6772 29.5516 176.3587 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 16 A 8.25 4.33 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.42 4.44 0.00 3.03 2.98 0.00 0.00 5.97 6.88 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 18 P 0.00 4.31 0.00 2.20 2.20 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 19 N 8.22 4.35 0.00 2.96 2.92 0.00 0.00 6.75 7.66 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 20 E 8.93 3.99 0.00 2.08 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 2.28 2.32 0.00 21 A 8.21 3.92 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 22 Y 8.48 4.25 0.00 3.00 3.25 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 23 R 7.58 3.91 0.00 1.93 1.97 0.00 3.26 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 24 H 7.98 4.14 0.00 3.10 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.45 4.30 0.00 3.03 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 *27 K 7.98 3.97 0.00 1.88 1.93 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.41 7.81 28 K 8.16 3.91 0.00 1.75 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 29 L 8.09 4.11 0.00 1.68 1.67 0.90 0.71 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 30 S 7.99 4.25 0.00 3.69 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 31 Y 7.60 4.94 0.00 2.92 2.92 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 32 E 7.75 5.11 0.00 2.11 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 2.50 2.28 0.00 33 T 8.50 4.62 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 1.31 0.00 0.00 34 D 8.43 5.05 0.00 2.83 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 35 I 8.55 3.86 2.05 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 1.66 0.97 0.95 0.00 0.00 36 A 8.09 3.96 1.33 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 0.00 0.00 37 D 9.09 4.36 0.00 2.68 2.76 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 38 L 8.03 4.01 0.00 2.07 2.06 0.80 0.96 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 39 S 8.47 4.49 0.00 4.00 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 40 I 7.70 3.73 2.08 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 1.52 0.76 0.89 0.00 0.00 41 D 8.14 4.58 0.00 2.75 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 42 I 7.94 3.93 2.23 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 1.94 1.74 1.02 0.00 0.00 43 K 8.16 3.99 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.58 7.81 44 K 8.57 4.32 0.00 1.75 1.87 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.39 7.81 45 G 7.72 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 46 Y 8.41 4.42 0.00 2.94 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 47 E 8.24 4.48 0.00 1.81 1.76 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 2.14 2.22 0.00 48 G 5.65 3.66 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 0.00 0.00 0.00 49 I 7.07 5.23 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 1.06 0.00 0.00 50 I 8.41 4.38 1.75 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 1.07 0.64 0.83 0.00 0.00 51 V 8.34 4.18 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 1.07 0.00 0.00 0.90 0.00 0.00 52 V 8.85 4.62 1.90 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 0.87 0.00 0.00 0.79 0.00 0.00 53 D 9.02 3.50 0.00 2.65 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 54 V 7.88 4.21 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 1.22 0.00 0.00 0.88 0.00 0.00 55 R 7.68 4.36 0.00 1.88 1.86 0.00 2.65 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.37 0.00 56 D 8.59 4.68 0.00 2.85 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 57 A 8.60 3.99 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 58 E 8.26 3.95 0.00 2.17 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 2.45 2.53 0.00 59 A 8.09 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.97 4.01 0.00 2.98 3.10 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 61 K 8.54 3.97 0.00 2.05 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.17 4.16 0.00 2.37 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 2.37 2.37 0.00 63 C 7.30 4.98 0.00 2.96 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 64 H 8.81 4.92 0.00 2.95 2.85 0.00 5.51 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.35 3.72 1.29 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 -0.49 0.00 0.00 66 P 0.00 4.51 0.00 2.06 2.02 0.00 3.51 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 67 T 8.70 3.38 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 1.18 0.00 0.00 68 A 7.69 4.78 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 69 I 8.77 4.33 1.77 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 0.71 0.89 0.00 0.00 70 S 7.83 4.39 0.00 2.72 2.83 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 71 I 8.40 4.37 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.79 0.00 0.00 72 P 0.00 4.44 0.00 2.00 1.96 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.88 0.00 73 G 9.22 3.75 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 0.00 0.00 0.00 74 N 8.08 4.58 0.00 2.81 2.91 0.00 0.00 5.85 7.13 0.00 0.00 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 K 8.14 4.35 0.00 1.77 1.76 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.45 7.81 76 I 7.36 3.51 1.60 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 -0.00 0.00 0.00 77 N 8.18 4.63 0.00 2.88 2.82 0.00 0.00 6.57 7.02 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 78 E 8.71 4.02 0.00 2.04 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 2.41 2.33 0.00 79 D 8.28 4.41 0.00 2.85 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 80 T 8.39 4.13 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 1.21 0.00 0.00 81 T 7.63 4.58 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 0.92 0.00 0.00 82 K 7.65 4.08 0.00 2.03 2.16 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.42 7.81 83 R 7.89 4.33 0.00 1.83 2.02 0.00 3.36 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 84 L 7.53 4.48 0.00 2.05 1.76 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.58 4.53 0.00 4.01 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 86 K 8.60 4.01 0.00 1.63 1.69 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.22 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.11 1.12 7.81 87 E 7.97 4.18 0.00 1.95 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 2.28 2.31 0.00 88 K 8.04 4.58 0.00 1.63 1.76 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.34 7.81 89 V 8.76 4.42 2.12 0.00 0.00 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 0.98 0.00 0.00 90 I 8.64 4.46 1.39 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 0.23 -0.10 -0.27 0.00 0.00 91 I 8.32 5.01 1.85 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 1.26 0.95 0.94 0.00 0.00 92 T 8.43 4.99 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 1.10 0.00 0.00 93 Y 8.02 4.88 0.00 2.91 2.99 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 94 C 8.60 5.29 0.00 3.08 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 95 W 9.49 4.05 0.00 3.47 3.44 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 0.00 96 G 7.82 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 97 P 0.00 4.25 0.00 2.19 2.20 0.00 4.06 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 98 A 8.14 4.36 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.89 0.00 3.06 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 0.00 100 N 8.46 4.82 0.00 2.76 2.78 0.00 0.00 6.81 7.58 0.00 0.00 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 8.09 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 0.00 102 A 8.14 4.01 1.38 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 0.00 0.00 0.00 103 T 7.83 3.80 4.36 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 1.20 0.00 0.00 104 K 8.21 3.98 0.00 1.90 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 105 A 8.77 4.02 1.46 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 0.00 0.00 106 A 8.34 4.01 1.44 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 0.00 0.00 0.00 107 A 7.88 3.95 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 0.00 108 K 7.95 3.90 0.00 1.87 1.69 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.57 7.81 109 F 8.59 4.07 0.00 3.27 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 0.00 110 A 8.62 4.52 1.44 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 0.00 0.00 0.00 111 Q 8.15 4.07 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.32 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.53 4.58 0.00 2.21 2.01 0.77 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 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 0.00 114 F 8.19 4.57 0.00 3.37 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 0.00 115 R 8.70 4.93 0.00 1.91 1.85 0.00 3.32 0.00 0.00 3.44 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 116 V 8.47 5.09 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 0.93 0.00 0.00 0.82 0.00 0.00 117 K 9.22 5.03 0.00 1.63 1.70 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 118 E 8.91 4.92 0.00 2.10 2.09 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 2.49 2.13 0.00 119 L 8.84 4.99 0.00 1.83 1.84 1.00 0.77 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 0.00 120 I 8.25 4.02 1.87 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 1.38 0.71 0.94 0.00 0.00 121 G 9.36 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 0.00 0.00 0.00 122 G 7.79 4.31 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 0.00 123 I 7.96 3.70 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.84 0.00 0.00 124 E 8.28 3.88 0.00 2.34 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 2.07 2.07 0.00 125 Y 8.22 3.95 0.00 3.30 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 0.00 126 W 7.92 4.07 0.00 3.39 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 0.00 127 R 7.93 3.95 0.00 1.97 1.91 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 128 K 7.69 3.94 0.00 1.38 1.66 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.87 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.24 1.28 7.81 129 E 7.79 4.53 0.00 1.97 1.78 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 2.26 2.38 0.00 130 N 7.84 3.98 0.00 2.67 2.68 0.00 0.00 6.93 7.91 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 0.00 131 G 7.19 3.18 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 0.00 132 E 8.48 4.46 0.00 2.09 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 0.00 2.30 2.29 0.00 133 V 8.09 4.68 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 0.86 0.00 0.00 0.95 0.00 0.00 134 E 9.93 4.58 0.00 1.65 1.68 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 2.18 2.14 0.00 135 G 7.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.96 4.08 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 0.00 137 L 8.30 4.51 0.00 1.71 1.70 0.96 0.78 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 0.00 138 G 7.69 3.79 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 0.00 0.00 0.00 139 A 8.73 4.23 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 0.00 140 K 8.27 4.23 0.00 1.97 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.38 7.81 141 A 7.59 4.28 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 0.00 142 D 8.54 4.59 0.00 2.84 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 0.00 143 L 8.58 4.13 0.00 1.41 0.80 0.41 0.49 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 0.00 144 F 7.70 5.06 0.00 2.92 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 0.00 145 W 8.03 2.73 0.00 1.78 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 0.00 146 N 7.22 4.20 0.00 2.47 2.31 0.00 0.00 7.18 6.04 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 *148 K 8.28 4.17 0.00 1.76 1.79 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.45 7.81 149 K 7.38 4.06 0.00 1.68 1.68 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.28 7.81 150 E 8.61 4.21 0.00 1.93 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 0.00 2.28 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.