NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4513 8.0249 121.4067 61.5417 38.7728 174.3113 3 T 4.4282 8.9785 123.7901 61.4893 70.8815 171.9654 4 I 4.9107 9.2140 128.0003 59.6510 39.6475 174.8060 5 K 4.6370 8.9062 126.8928 53.9508 35.2357 175.9044 6 K 3.4594 8.7271 126.9173 56.2313 32.8333 175.4786 7 Q 4.5962 8.4129 128.6189 54.5616 30.7516 174.6760 8 E 4.2483 8.9836 124.1557 57.8033 30.8006 176.2415 9 I 4.3414 7.5492 119.6939 58.6343 39.0636 174.9282 10 V 4.3047 8.2816 124.7592 60.8584 33.3655 174.7094 11 K 4.4256 8.3548 126.7503 54.9322 33.5428 177.5733 12 L 3.9370 8.5524 124.6234 58.2537 42.3621 178.6978 13 E 3.9709 8.4221 116.7543 59.8053 29.3842 178.2439 14 D 4.5681 7.8453 116.5935 56.1613 41.1784 177.2880 15 V 4.3929 7.9732 110.7478 60.3454 33.5699 177.1871 16 L 4.0512 8.1347 122.4189 58.4004 41.8412 178.0446 17 H 4.5330 8.4027 115.9835 58.0678 27.8764 177.4829 18 L 3.7931 7.4402 120.7260 57.7686 40.9675 178.7058 19 Y 4.1175 7.7950 116.0521 61.1407 37.7789 178.1137 20 Q 4.5659 8.6147 119.2496 59.3233 28.7711 179.1795 21 A 4.3408 7.9514 118.9445 53.8326 18.4526 178.0613 22 V 4.4633 7.3427 108.4731 60.5620 34.9396 175.9903 23 G 4.3078 8.5566 111.7390 45.7881 0.0000 176.3146 24 W 4.1989 6.3114 125.0299 57.9818 34.6837 172.8828 25 T 3.7574 12.0000 116.8949 62.2308 66.7611 170.7289 26 N 4.7034 8.4429 126.7562 52.3445 41.2012 172.7315 *32 E 4.2629 8.1834 116.1717 56.4800 30.9029 175.0759 *34 L 4.1474 8.2070 118.9984 55.4159 43.6589 178.0801 35 E 3.8376 8.2741 117.1009 59.6420 29.6002 178.4861 36 Q 4.1271 7.9992 116.9653 58.8297 28.8763 178.2491 37 A 4.0090 7.9156 121.2791 55.4495 18.1931 179.4020 38 L 4.1851 7.8446 115.9440 57.9171 41.7327 179.3217 39 S 4.4517 7.7132 112.6355 59.4747 63.0364 174.2812 40 H 4.9203 8.3308 118.9988 55.5221 29.4082 173.7671 41 S 4.8052 7.8647 114.6769 57.0185 64.9015 174.5584 42 L 4.4476 8.5677 122.3167 57.7653 41.9848 178.3043 43 V 4.6304 7.4888 115.6865 60.7200 34.7288 172.7276 44 I 5.2882 8.3007 122.6113 59.9670 41.1991 173.6790 45 Y 5.0642 8.8701 123.4027 56.2144 41.1267 174.7497 46 L 5.2460 9.0636 122.4342 53.0379 45.3443 175.0725 47 A 5.0998 8.6814 124.0560 50.5166 21.2087 176.0409 48 L 5.0550 8.9824 122.5105 52.9324 45.6539 175.3921 49 D 4.9420 9.1345 124.1846 51.8941 42.2289 177.6831 50 G 3.9664 8.6451 118.2708 46.9809 0.0000 173.9164 51 D 4.5170 8.9292 124.5947 54.3212 41.3594 176.0245 52 A 4.0164 8.1688 124.8659 51.5884 18.7489 176.8729 53 V 4.1884 8.3464 123.6862 62.9016 31.4524 175.7279 54 V 4.1973 8.5862 120.7035 61.0605 33.5916 175.6789 55 G 4.3005 7.5343 105.8731 45.3977 0.0000 172.1552 56 L 5.2748 8.9599 122.9190 53.3173 46.3410 174.5083 57 I 5.1373 8.8391 124.4831 59.2505 41.7504 174.0236 58 R 5.0987 9.2207 128.4428 54.8384 33.2785 173.5970 59 L 5.2463 8.8304 126.2399 53.3750 44.7423 175.9319 60 V 4.6736 9.1503 114.3899 60.0837 36.7347 173.7844 61 G 3.8312 8.5323 106.4493 44.4572 0.0000 173.0854 62 D 4.5069 8.0194 117.9684 53.8946 39.9158 177.7374 63 G 3.7600 8.3165 107.7875 45.3663 0.0000 172.8810 64 F 4.7393 9.1505 116.3562 59.1599 40.9733 177.4227 65 S 4.6007 8.6229 114.0418 60.6810 64.5675 174.0143 66 S 4.9692 8.1561 114.8139 56.7767 66.5106 173.6177 67 V 4.6557 8.0846 122.9187 60.9016 34.9458 173.9744 68 F 5.1848 9.2501 125.5975 55.6380 42.6870 174.7036 69 V 4.1232 8.6158 124.1189 62.6948 30.3709 175.5552 70 Q 4.2470 9.1646 129.6304 58.4087 29.6480 175.5442 71 D 5.0597 8.0884 117.9817 52.2389 44.5947 174.5440 72 L 5.0764 8.5931 124.0460 53.4948 44.9157 175.3972 73 I 4.5670 8.9477 127.5417 59.3990 40.8559 174.7554 74 V 4.7168 8.1892 126.0348 60.4140 34.3563 174.9866 75 L 4.0448 8.6374 127.1925 54.9776 42.0788 176.7335 76 P 4.3589 0.0000 0.0000 64.4054 31.5356 177.4510 77 S 4.3758 7.9975 112.3736 60.2660 64.2344 174.4597 78 Y 4.2347 7.9337 122.7581 59.4219 37.9069 175.6533 79 Q 4.0462 8.6433 117.9464 57.6982 27.4646 173.3296 80 R 3.9425 8.3885 114.8229 57.1167 27.8199 176.6646 81 Q 4.5221 7.6200 113.4260 55.9620 29.0429 176.3035 82 G 3.9578 8.4800 104.6637 47.4515 0.0000 176.3117 83 I 3.7648 7.8475 122.1610 64.1162 36.9077 178.2849 84 G 3.5666 7.9269 104.6113 47.9425 0.0000 175.2514 85 S 4.4597 8.1526 115.9381 61.4790 63.2664 176.4086 86 S 4.3452 8.0673 117.6525 61.6749 62.5718 177.1676 87 L 3.8957 7.7631 117.4585 56.0685 41.2418 179.0107 *89 K 4.2376 7.9272 120.5193 56.6552 34.0686 178.1239 90 E 3.7309 8.1690 116.8353 59.1569 29.5401 179.0145 91 A 3.8989 7.5501 120.6889 55.1917 18.5002 179.7172 92 L 4.3644 7.9568 116.5747 57.2113 41.5670 179.4905 93 G 3.7227 7.6612 105.0337 47.6802 0.0000 174.8031 94 N 4.4074 7.7661 116.0598 54.3482 38.8441 175.3376 95 F 4.9306 8.2901 120.3986 56.8787 40.5225 176.8010 96 K 4.1358 8.3697 121.2052 58.8966 32.6233 177.0429 97 E 4.4740 7.9619 116.8012 55.5516 30.4053 175.8189 98 A 4.2790 7.7579 122.9330 52.7603 18.9694 176.7528 99 Y 4.3766 8.9101 125.3894 60.5200 39.3142 176.6322 100 Q 4.3520 8.3614 117.1871 53.7412 32.8152 174.2332 101 V 4.6341 8.1211 122.4594 61.2371 34.2204 174.2937 102 Q 5.0033 8.4649 125.4839 54.6802 33.7737 173.3189 103 L 4.8139 8.1414 118.2993 55.4483 42.9868 174.1267 104 A 4.6811 8.3537 121.5337 50.6439 21.8190 175.3754 105 T 4.7331 8.0990 115.0570 59.7003 70.8880 173.2637 106 E 4.0482 8.7439 124.8544 56.9559 30.1844 178.0594 107 E 4.3632 8.5653 125.9620 54.9746 28.3291 175.5321 108 T 4.6654 7.3363 113.0751 59.3704 73.1150 174.8873 109 E 3.9167 8.6556 122.2407 59.4704 29.5847 179.1698 110 K 3.9441 7.9536 118.9857 59.5651 32.4467 178.5024 111 N 4.3610 8.1136 116.6772 56.3820 38.4703 177.7321 112 V 3.8849 8.3288 120.1803 65.9688 31.6672 178.2642 113 G 3.6341 8.3552 105.6721 47.6524 0.0000 175.4024 114 F 4.0754 8.0057 121.9892 61.4351 39.6627 176.6303 115 Y 3.9353 7.7296 116.2073 60.9434 37.3684 178.7063 116 R 4.8958 8.4057 120.1541 58.4094 30.5120 179.6235 117 S 4.4665 7.6772 115.1754 57.9488 62.7979 175.2295 *119 G 3.8302 7.8608 108.5120 46.1414 0.0000 173.0526 120 F 4.5617 8.5081 119.1930 55.8010 40.5274 174.6261 121 E 5.1060 8.4409 123.3536 53.9164 32.8255 175.5460 122 I 4.0906 8.1117 117.3366 60.5125 38.7592 177.1428 123 L 4.2704 8.6444 122.8104 57.9011 42.0244 179.6425 124 S 4.3038 8.1945 112.9573 61.3739 63.0289 176.5067 125 T 3.6209 7.4460 117.0456 66.1908 68.0923 174.4439 126 Y 4.6405 7.4980 116.6996 57.0939 37.9861 175.0721 127 D 4.4316 7.8408 117.8901 55.9781 39.0338 173.1483 128 C 5.0256 8.0262 113.2345 58.3090 31.7113 173.5343 129 T 4.6400 8.0306 114.1281 60.4795 69.9959 174.1399 130 G 3.8221 8.3340 116.1350 44.6223 0.0000 172.3249 *132 I 3.8408 7.8670 117.8716 60.1636 38.6636 175.1210 133 W 4.6039 8.8707 135.0000 57.4262 30.6828 175.1736 134 I 4.0709 8.6391 119.4966 61.1734 38.6873 174.8256 135 N 4.5987 7.9621 119.2962 51.8254 39.1569 173.5618 136 R 3.9344 8.0154 124.0408 55.7006 30.4938 176.7375 137 E 4.2672 8.0282 122.3950 56.5360 29.7371 175.1023 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 2 I 8.02 4.45 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.94 0.00 0.00 3 T 8.98 4.43 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 1.23 0.00 0.00 4 I 9.21 4.91 1.93 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 1.37 0.86 1.02 0.00 0.00 5 K 8.91 4.64 0.00 1.67 1.65 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 6 K 8.73 3.46 0.00 1.30 1.46 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.07 0.42 7.81 7 Q 8.41 4.60 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 8 E 8.98 4.25 0.00 2.08 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 2.17 2.28 0.00 9 I 7.55 4.34 1.86 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 1.28 0.64 0.90 0.00 0.00 10 V 8.28 4.30 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 0.87 0.00 0.00 0.93 0.00 0.00 11 K 8.35 4.43 0.00 2.03 1.83 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.41 7.81 12 L 8.55 3.94 0.00 1.64 1.62 0.73 0.82 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 13 E 8.42 3.97 0.00 1.98 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 2.33 2.43 0.00 14 D 7.85 4.57 0.00 2.64 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 15 V 7.97 4.39 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 0.75 0.00 0.00 1.17 0.00 0.00 16 L 8.13 4.05 0.00 1.94 1.73 0.69 1.01 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 17 H 8.40 4.53 0.00 3.43 3.58 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.44 3.79 0.00 1.44 1.41 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.80 4.12 0.00 2.86 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 20 Q 8.61 4.57 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 21 A 7.95 4.34 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 22 V 7.34 4.46 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 0.69 0.00 0.00 1.03 0.00 0.00 23 G 8.56 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 24 W 6.31 4.20 0.00 3.19 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 25 T 12.00 3.76 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 1.33 0.00 0.00 26 N 8.44 4.70 0.00 2.83 2.77 0.00 0.00 7.10 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 *32 E 8.18 4.26 0.00 1.85 1.93 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 1.78 1.94 0.00 *34 L 8.21 4.15 0.00 1.41 1.36 0.50 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.27 3.84 0.00 1.91 1.93 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 2.26 2.37 0.00 36 Q 8.00 4.13 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 37 A 7.92 4.01 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 38 L 7.84 4.19 0.00 1.73 1.86 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.71 4.45 0.00 3.81 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 40 H 8.33 4.92 0.00 3.06 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.86 4.81 0.00 3.88 4.01 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 42 L 8.57 4.45 0.00 1.62 1.81 0.47 0.79 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 43 V 7.49 4.63 2.43 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 1.00 0.00 0.00 1.11 0.00 0.00 44 I 8.30 5.29 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.95 0.00 0.00 45 Y 8.87 5.06 0.00 2.84 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 46 L 9.06 5.25 0.00 1.54 1.53 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.68 5.10 1.15 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 0.00 0.00 48 L 8.98 5.05 0.00 1.57 1.71 0.91 0.67 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 49 D 9.13 4.94 0.00 2.66 2.52 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 50 G 8.65 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 51 D 8.93 4.52 0.00 2.68 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 52 A 8.17 4.02 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 53 V 8.35 4.19 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 0.82 0.00 0.00 0.94 0.00 0.00 54 V 8.59 4.20 1.14 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 0.29 0.00 0.00 0.30 0.00 0.00 55 G 7.53 4.30 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 0.00 56 L 8.96 5.27 0.00 1.55 1.28 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.84 5.14 1.92 0.00 0.00 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 1.19 1.55 1.06 0.00 0.00 58 R 9.22 5.10 0.00 1.94 1.78 0.00 3.16 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 59 L 8.83 5.25 0.00 1.62 1.42 1.00 0.67 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 60 V 9.15 4.67 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 0.71 0.00 0.00 1.01 0.00 0.00 61 G 8.53 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 D 8.02 4.51 0.00 3.05 2.91 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 0.00 0.00 0.00 0.00 63 G 8.32 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 0.00 0.00 0.00 64 F 9.15 4.74 0.00 2.97 3.04 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 65 S 8.62 4.60 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 66 S 8.16 4.97 0.00 3.84 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 67 V 8.08 4.66 1.81 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 0.60 0.00 0.00 0.39 0.00 0.00 68 F 9.25 5.18 0.00 2.89 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 69 V 8.62 4.12 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 0.71 0.00 0.00 0.92 0.00 0.00 70 Q 9.16 4.25 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.35 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 71 D 8.09 5.06 0.00 2.66 2.50 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 0.00 72 L 8.59 5.08 0.00 1.66 1.62 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.95 4.57 1.61 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.29 0.72 0.00 0.00 74 V 8.19 4.72 1.99 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 0.84 0.00 0.00 0.83 0.00 0.00 75 L 8.64 4.04 0.00 1.80 1.75 0.98 1.28 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 76 P 0.00 4.36 0.00 2.04 2.10 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 77 S 8.00 4.38 0.00 3.90 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 78 Y 7.93 4.23 0.00 3.03 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 79 Q 8.64 4.05 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.23 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 80 R 8.39 3.94 0.00 1.91 1.98 0.00 3.12 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 81 Q 7.62 4.52 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 82 G 8.48 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 0.00 0.00 0.00 0.00 83 I 7.85 3.76 1.84 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 1.58 0.70 0.85 0.00 0.00 84 G 7.93 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 S 8.15 4.46 0.00 4.11 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 86 S 8.07 4.35 0.00 4.04 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 87 L 7.76 3.90 0.00 1.90 1.71 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *89 K 7.93 4.24 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.62 7.81 90 E 8.17 3.73 0.00 1.32 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 2.43 2.41 0.00 91 A 7.55 3.90 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 92 L 7.96 4.36 0.00 1.76 1.81 1.17 1.01 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 93 G 7.66 3.72 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 0.00 0.00 0.00 94 N 7.77 4.41 0.00 2.23 2.10 0.00 0.00 6.77 8.31 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 95 F 8.29 4.93 0.00 2.99 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 96 K 8.37 4.14 0.00 1.84 1.92 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 97 E 7.96 4.47 0.00 2.00 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 0.00 2.22 2.27 0.00 98 A 7.76 4.28 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.91 4.38 0.00 2.98 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 Q 8.36 4.35 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 101 V 8.12 4.63 1.88 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 0.89 0.00 0.00 0.82 0.00 0.00 102 Q 8.46 5.00 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.37 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 103 L 8.14 4.81 0.00 1.30 1.37 -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.35 4.68 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 0.00 105 T 8.10 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 1.29 0.00 0.00 106 E 8.74 4.05 0.00 2.04 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 2.35 2.34 0.00 107 E 8.57 4.36 0.00 1.96 1.91 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 0.00 2.28 2.33 0.00 108 T 7.34 4.67 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 1.24 0.00 0.00 109 E 8.66 3.92 0.00 2.07 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 2.40 2.40 0.00 110 K 7.95 3.94 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.50 7.81 111 N 8.11 4.36 0.00 3.00 3.08 0.00 0.00 6.72 7.67 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 0.00 112 V 8.33 3.88 2.24 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 1.15 0.00 0.00 1.02 0.00 0.00 113 G 8.36 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 0.00 114 F 8.01 4.08 0.00 2.84 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 0.00 115 Y 7.73 3.94 0.00 3.10 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 0.00 116 R 8.41 4.90 0.00 2.02 2.03 0.00 3.16 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 117 S 7.68 4.47 0.00 4.00 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 *119 G 7.86 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 0.00 120 F 8.51 4.56 0.00 3.19 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 0.00 121 E 8.44 5.11 0.00 1.98 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 0.00 2.19 2.28 0.00 122 I 8.11 4.09 1.91 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 1.41 0.52 0.97 0.00 0.00 123 L 8.64 4.27 0.00 1.80 1.87 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.19 4.30 0.00 3.99 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 0.00 125 T 7.45 3.62 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 0.69 0.00 0.00 126 Y 7.50 4.64 0.00 3.16 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 0.00 127 D 7.84 4.43 0.00 2.85 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 0.00 128 C 8.03 5.03 0.00 3.16 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 0.00 129 T 8.03 4.64 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 1.24 0.00 0.00 130 G 8.33 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 *132 I 7.87 3.84 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 0.95 0.00 0.00 133 W 8.87 4.60 0.00 3.22 3.08 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 0.00 0.00 0.00 134 I 8.64 4.07 1.86 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 1.33 0.74 0.93 0.00 0.00 135 N 7.96 4.60 0.00 2.66 2.79 0.00 0.00 6.94 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 0.00 136 R 8.02 3.93 0.00 1.33 1.05 0.00 2.61 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.00 137 E 8.03 4.27 0.00 1.95 1.81 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 2.13 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.