NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2233 8.1744 110.9428 61.3671 70.1338 172.6908 8 D 4.4692 8.2480 121.6543 50.6491 41.2898 174.6892 9 P 4.3208 0.0000 0.0000 65.5063 32.4580 177.0782 10 R 4.2010 8.1483 115.9985 56.8069 30.5397 176.7592 11 A 4.2054 7.3886 121.0422 51.2352 18.9691 177.2354 12 K 4.0137 8.4756 121.0558 56.1825 32.7574 176.5603 13 W 4.2342 8.8355 135.0000 57.3224 31.1265 175.5097 14 V 4.0484 7.6143 125.6013 59.9945 31.6541 173.1184 15 P 3.8686 0.0000 0.0000 62.1487 32.1556 175.6794 16 Q 4.6777 8.6449 117.3241 54.6797 31.8039 174.2227 17 D 5.6000 8.5502 115.9915 54.3496 41.5963 175.4467 18 N 4.9878 9.4520 112.7632 51.9884 38.6899 174.0186 19 D 4.2613 7.9712 118.9762 53.8107 42.5036 175.3069 20 I 3.0457 7.9623 120.4104 61.9770 37.9372 176.4724 21 Q 4.2961 8.4949 119.5961 55.9435 29.2969 175.1670 22 A 4.7633 7.4597 121.7428 50.4740 20.5478 177.8318 23 C 4.6369 8.9432 118.9655 59.2969 41.7941 174.3232 24 D 4.9576 8.1377 118.6390 52.9429 39.5187 175.2786 25 Y 4.7007 8.2406 122.8709 57.4576 39.2013 176.6524 26 W 4.6266 8.8475 125.1310 59.9639 28.0301 178.1743 27 R 3.4871 5.8400 115.0472 57.6295 29.8640 176.3622 28 H 5.1535 8.3783 116.0259 55.7515 28.8589 174.5950 29 C 2.5831 7.8203 116.1919 57.7172 41.2777 174.4070 30 S 4.8485 7.7853 115.3209 56.8258 62.2461 173.7321 31 I 3.3408 7.4235 118.0537 59.9625 39.8552 174.1605 32 D 4.7643 8.7863 126.3439 53.6653 44.3412 171.9310 33 G 4.2383 7.7894 117.4115 44.3060 0.0000 175.4867 34 N 5.4520 9.6932 122.7684 50.8707 42.2787 173.3576 35 I 4.2841 8.2047 122.6210 60.9237 37.6111 176.4210 36 C 4.0862 8.7051 123.9996 60.1563 35.1641 175.8016 37 D 4.1142 8.1648 118.1096 56.8110 40.7795 177.7304 38 C 4.8050 8.1713 114.8028 57.3664 40.4337 173.8382 39 S 4.6255 8.5034 114.1011 58.3526 63.5353 174.9724 40 G 4.0706 8.6559 108.7651 46.0097 0.0000 174.5114 41 G 4.1185 7.5863 111.2012 44.9245 0.0000 171.3439 42 S 4.9530 8.1842 115.4414 56.2775 66.3616 173.2826 43 L 4.0438 8.7100 120.8766 58.1583 41.5926 178.5193 44 T 4.7925 7.8122 104.0266 60.9477 69.6215 172.8394 45 N 5.0813 7.7712 119.0281 51.7667 42.0672 173.2772 46 C 4.7859 8.4060 117.7771 55.7050 35.7045 172.2568 47 P 4.6714 0.0000 0.0000 60.8852 31.7118 174.4028 48 P 4.3014 0.0000 0.0000 64.2808 31.6277 177.1087 49 G 3.9491 8.9087 110.9968 45.2294 0.0000 173.4262 50 T 4.2323 6.7234 108.7887 60.5774 70.8708 174.1740 51 K 4.5643 8.8941 121.3094 54.4377 35.1576 175.4631 52 L 4.5901 8.4489 126.8007 53.9434 42.9201 176.0616 53 A 4.6353 8.6872 129.0162 52.6079 18.9194 176.8404 54 T 4.3607 8.7369 109.2997 63.3450 70.8643 175.5546 55 A 4.7075 8.0320 123.5014 51.0656 20.7406 178.0752 56 S 3.9139 7.0561 117.9186 58.7119 65.9876 179.1805 *58 V 4.5156 8.7313 113.8041 61.6293 32.6395 172.9269 59 A 4.6434 8.0367 118.9592 51.4536 22.3015 175.4671 60 S 4.9497 8.8890 116.5289 57.8874 63.3106 173.8464 61 C 5.2960 9.6180 125.5934 55.3386 38.6873 172.5761 62 Y 4.6736 9.0195 124.9722 57.3165 40.1667 173.3753 63 N 3.7613 8.2136 126.7659 50.7477 39.2886 173.8002 64 P 4.1019 0.0000 0.0000 65.2231 31.8342 178.1104 65 T 3.8961 7.9250 116.5749 66.1180 68.3191 175.1331 66 D 4.6267 7.5355 116.3006 52.1817 39.9595 176.4865 67 G 3.8979 7.7359 106.9567 46.2522 0.0000 173.5846 68 Q 4.5459 8.1739 118.8781 54.2525 31.6422 174.5772 69 S 5.3178 8.1639 116.8445 57.1856 65.6877 172.8104 70 Y 5.1477 9.3104 121.6862 55.9916 41.8205 174.4864 71 L 4.8151 9.2696 125.5571 54.7319 43.7255 175.3041 72 I 4.5573 8.8220 127.8220 59.6934 39.3066 174.7817 73 A 4.1597 8.1399 129.4586 50.3845 19.2483 176.8988 74 Y 4.7687 7.8848 120.9831 57.9878 35.8099 175.7913 75 R 4.3992 7.9827 121.3619 55.9513 32.4618 175.5162 76 D 5.5066 8.6177 121.5518 53.1850 44.2458 174.5889 77 C 5.2595 8.8616 118.8870 55.8127 37.4586 172.5650 78 C 5.7774 9.1104 121.1234 54.2795 44.3873 174.9704 79 G 4.0846 9.3017 106.1963 45.8606 0.0000 172.8887 80 Y 4.7713 7.3379 114.7885 55.5980 41.9252 174.6632 81 N 4.5432 8.4808 120.2535 52.8717 39.8228 174.8665 82 V 3.7059 8.4525 121.8915 63.4297 31.9070 176.2884 83 S 4.1541 8.2954 121.9152 59.9468 62.7803 175.8904 84 G 3.9633 7.7444 107.3732 45.1094 0.0000 172.9763 85 R 4.5081 7.6978 118.3294 55.5943 33.0567 175.4680 86 C 4.2546 8.6983 117.9978 57.5540 37.4715 170.9769 87 P 5.1221 0.0000 0.0000 63.1851 32.5864 178.2816 88 C 5.0198 9.3062 118.7538 55.8482 45.4248 173.4297 89 L 4.8170 8.3538 123.8236 54.4633 43.7118 174.3100 90 N 5.1386 9.1764 124.2560 50.9354 43.0681 174.5849 91 T 4.9652 7.6187 109.2983 61.0367 69.1430 173.9616 92 E 3.9760 8.1898 122.7094 58.7970 29.3731 177.9227 93 G 3.7542 8.7963 111.9502 45.2746 0.0000 172.2244 94 E 4.2795 7.9023 121.5811 56.2350 29.5674 176.1946 95 L 4.7956 8.4988 126.1969 52.0305 45.4036 174.1771 96 P 4.3921 0.0000 0.0000 62.3754 32.1101 177.9847 97 V 3.6664 8.5020 120.3144 64.8838 31.1827 176.8165 98 Y 4.4375 7.9121 116.0186 58.0312 38.7431 175.5633 99 R 4.7136 7.6818 119.4094 53.9141 30.8475 174.1747 100 P 4.3937 0.0000 0.0000 66.0181 31.6331 178.7866 101 E 3.6221 8.1822 115.3653 58.2789 29.4101 177.4488 102 F 5.1020 8.4159 116.0208 56.8645 40.0654 173.8765 103 A 5.1621 8.5921 124.7030 50.5538 19.4556 177.4857 104 N 5.1002 9.2402 119.8649 52.8400 37.5408 175.4214 105 D 4.7536 7.8478 117.5599 54.7917 41.6399 176.9124 106 I 3.5140 7.2119 120.3462 60.6732 37.5337 176.0254 107 I 3.7899 7.5931 125.6839 60.5154 36.3923 176.6196 108 W 4.6971 8.6047 130.0375 55.7882 27.5380 176.6923 109 C 4.9082 7.2628 114.8785 56.1489 38.7993 174.4011 110 F 4.5818 7.4537 119.9550 59.2987 38.8943 176.2718 111 G 4.3117 9.4116 112.2426 46.3551 0.0000 173.6391 112 A 4.7393 7.6172 122.1239 51.1328 19.2576 177.1521 113 E 3.9964 8.5834 119.8729 57.8316 30.0954 177.3634 114 D 4.4969 9.2308 119.3752 54.7415 38.4698 173.4646 115 D 4.4136 7.9578 116.1932 54.9461 38.9386 173.9153 116 A 4.1124 7.7591 121.4772 52.9686 18.5949 178.3448 117 M 4.6656 8.5048 120.3470 54.7264 34.2431 175.7044 118 T 4.3352 7.6156 110.3541 61.2927 70.8387 173.0202 119 Y 4.5080 8.5662 125.6251 57.7997 39.5270 172.9390 120 H 4.7106 7.9419 124.8206 56.9611 32.2599 171.1571 121 C 4.8461 6.7592 109.6612 55.0289 39.1718 171.7304 122 T 5.3829 9.0860 115.8726 61.7976 71.1121 173.9466 123 I 4.6378 8.5724 118.5364 59.1015 40.5505 175.0322 124 S 4.9856 8.2749 117.3571 56.6073 61.8111 172.3689 125 P 4.5357 0.0000 0.0000 62.2868 33.6937 176.9224 126 I 4.6281 8.0944 122.1732 60.7504 37.9533 176.1961 127 V 4.2477 9.7798 118.7797 60.1437 32.7962 175.6721 128 G 4.1918 7.3745 110.1986 45.0362 0.0000 171.5598 129 K 4.4649 8.0451 118.5950 55.9853 33.2191 176.7997 130 A 4.9764 8.4422 124.6542 50.4198 22.2614 176.6351 131 S 4.3711 8.5811 111.2330 59.0270 62.7915 174.8633 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 7 T 8.17 4.22 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 1.23 0.00 0.00 8 D 8.25 4.47 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 8.15 4.20 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 11 A 7.39 4.21 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 12 K 8.48 4.01 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.84 4.23 0.00 3.34 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 14 V 7.61 4.05 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 0.82 0.00 0.00 0.94 0.00 0.00 15 P 0.00 3.87 0.00 2.21 1.63 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 16 Q 8.64 4.68 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 17 D 8.55 5.60 0.00 2.60 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 18 N 9.45 4.99 0.00 2.77 2.88 0.00 0.00 6.53 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.97 4.26 0.00 2.67 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 20 I 7.96 3.05 1.31 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 1.19 0.54 0.04 0.00 0.00 21 Q 8.49 4.30 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 A 7.46 4.76 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 23 C 8.94 4.64 0.00 3.13 3.34 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 24 D 8.14 4.96 0.00 2.67 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 25 Y 8.24 4.70 0.00 3.37 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 26 W 8.85 4.63 0.00 3.72 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 27 R 5.84 3.49 0.00 1.42 1.30 0.00 2.21 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 28 H 8.38 5.15 0.00 3.55 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.82 2.58 0.00 2.29 3.40 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 30 S 7.79 4.85 0.00 3.78 3.78 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 0.00 0.00 0.00 31 I 7.42 3.34 1.80 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 1.05 1.42 0.90 0.00 0.00 32 D 8.79 4.76 0.00 2.79 2.38 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 33 G 7.79 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 0.00 0.00 0.00 0.00 34 N 9.69 5.45 0.00 2.66 2.86 0.00 0.00 7.39 7.38 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 35 I 8.20 4.28 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.96 0.00 0.00 36 C 8.71 4.09 0.00 2.97 3.12 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 0.00 0.00 0.00 0.00 37 D 8.16 4.11 0.00 2.71 2.64 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 0.00 38 C 8.17 4.80 0.00 3.12 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 39 S 8.50 4.63 0.00 3.96 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 40 G 8.66 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 0.00 0.00 0.00 41 G 7.59 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.18 4.95 0.00 3.90 3.81 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 43 L 8.71 4.04 0.00 1.63 1.68 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.81 4.79 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 1.17 0.00 0.00 45 N 7.77 5.08 0.00 2.68 2.67 0.00 0.00 7.02 8.54 0.00 0.00 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 C 8.41 4.79 0.00 2.90 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 47 P 0.00 4.67 0.00 1.98 2.11 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 48 P 0.00 4.30 0.00 2.00 1.96 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 49 G 8.91 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 50 T 6.72 4.23 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 0.33 0.00 0.00 51 K 8.89 4.56 0.00 1.61 1.95 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.67 7.81 52 L 8.45 4.59 0.00 1.72 1.54 0.92 1.59 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 53 A 8.69 4.64 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 T 8.74 4.36 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 1.31 0.00 0.00 55 A 8.03 4.71 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 56 S 7.06 3.91 0.00 3.99 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 *58 V 8.73 4.52 2.17 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 0.89 0.00 0.00 0.97 0.00 0.00 59 A 8.04 4.64 1.43 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 60 S 8.89 4.95 0.00 3.95 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 61 C 9.62 5.30 0.00 3.27 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 62 Y 9.02 4.67 0.00 3.17 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 63 N 8.21 3.76 0.00 1.44 2.23 0.00 0.00 6.56 7.31 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 64 P 0.00 4.10 0.00 2.14 2.16 0.00 3.18 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 65 T 7.92 3.90 4.12 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 0.00 0.00 0.00 1.13 0.00 0.00 66 D 7.54 4.63 0.00 2.68 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 67 G 7.74 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 68 Q 8.17 4.55 0.00 1.88 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 69 S 8.16 5.32 0.00 3.75 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 70 Y 9.31 5.15 0.00 3.26 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 71 L 9.27 4.82 0.00 1.79 1.59 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.82 4.56 1.34 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.10 0.00 0.00 73 A 8.14 4.16 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.88 4.77 0.00 2.93 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 75 R 7.98 4.40 0.00 1.79 1.88 0.00 3.31 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 76 D 8.62 5.51 0.00 2.87 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 77 C 8.86 5.26 0.00 2.74 2.88 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 78 C 9.11 5.78 0.00 2.77 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 79 G 9.30 4.08 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 0.00 0.00 0.00 80 Y 7.34 4.77 0.00 2.57 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 81 N 8.48 4.54 0.00 2.63 2.71 0.00 0.00 6.93 7.71 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 82 V 8.45 3.71 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 1.07 0.00 0.00 1.02 0.00 0.00 83 S 8.30 4.15 0.00 3.98 3.61 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 84 G 7.74 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 85 R 7.70 4.51 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.70 4.25 0.00 3.11 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 87 P 0.00 5.12 0.00 2.09 2.07 0.00 3.76 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 2.00 2.01 0.00 88 C 9.31 5.02 0.00 2.82 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 89 L 8.35 4.82 0.00 1.53 1.50 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.18 5.14 0.00 2.36 2.11 0.00 0.00 6.17 7.83 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 91 T 7.62 4.97 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 1.18 0.00 0.00 92 E 8.19 3.98 0.00 1.87 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 1.91 2.12 0.00 93 G 8.80 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 94 E 7.90 4.28 0.00 1.94 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 2.56 2.61 0.00 95 L 8.50 4.80 0.00 1.78 1.43 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.39 0.00 1.58 2.06 0.00 3.28 0.00 0.00 3.73 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 97 V 8.50 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 7.91 4.44 0.00 3.11 3.12 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 0.00 0.00 0.00 0.00 99 R 7.68 4.71 0.00 1.78 1.91 0.00 3.40 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.52 0.00 100 P 0.00 4.39 0.00 2.47 2.49 0.00 3.82 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 101 E 8.18 3.62 0.00 1.50 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 1.47 1.47 0.00 102 F 8.42 5.10 0.00 3.08 2.95 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 0.00 103 A 8.59 5.16 1.43 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 0.00 104 N 9.24 5.10 0.00 2.78 2.90 0.00 0.00 7.01 8.25 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 0.00 105 D 7.85 4.75 0.00 2.62 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 0.00 106 I 7.21 3.51 0.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.30 -0.31 0.00 0.00 107 I 7.59 3.79 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.91 0.00 0.00 108 W 8.60 4.70 0.00 3.65 3.16 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 0.00 109 C 7.26 4.91 0.00 2.72 3.20 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 0.00 110 F 7.45 4.58 0.00 3.30 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 0.00 111 G 9.41 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 0.00 112 A 7.62 4.74 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 0.00 113 E 8.58 4.00 0.00 2.09 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 2.40 2.41 0.00 114 D 9.23 4.50 0.00 2.84 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 0.00 115 D 7.96 4.41 0.00 2.80 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 0.00 116 A 7.76 4.11 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 0.00 117 M 8.50 4.67 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 118 T 7.62 4.34 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 1.22 0.00 0.00 119 Y 8.57 4.51 0.00 2.98 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 0.00 120 H 7.94 4.71 0.00 3.21 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.76 4.85 0.00 3.12 2.88 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 0.00 122 T 9.09 5.38 4.39 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 1.54 0.00 0.00 123 I 8.57 4.64 1.98 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 1.44 0.92 0.91 0.00 0.00 124 S 8.27 4.99 0.00 3.76 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 0.00 125 P 0.00 4.54 0.00 2.05 2.11 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 126 I 8.09 4.63 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 1.08 0.00 0.00 127 V 9.78 4.25 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 0.63 0.00 0.00 0.99 0.00 0.00 128 G 7.37 4.19 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 0.00 0.00 0.00 129 K 8.05 4.46 0.00 1.61 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.86 1.34 7.81 130 A 8.44 4.98 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 0.00 131 S 8.58 4.37 0.00 3.77 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 * Residues marked with a * may have inaccurate shift predictions.