NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 5.3036 8.1648 122.2812 52.6332 18.9443 175.9412 2 T 4.1731 7.9696 117.7477 62.6225 70.5245 171.8707 3 K 5.3250 8.9218 123.8339 54.9691 37.2941 174.6779 4 A 5.4442 9.1778 123.9325 51.0815 23.5555 175.0047 5 V 5.0062 8.8776 117.3136 61.0633 35.4364 173.3127 6 C 4.9427 9.1805 122.0295 58.0913 35.2993 172.5843 7 V 4.6458 8.5082 126.1535 61.4520 33.0983 174.0517 8 L 4.8248 8.9998 129.2078 53.6767 43.4079 176.1364 9 K 4.8453 9.0647 121.8083 55.6022 37.2208 176.1407 10 G 4.6126 7.9737 108.1138 45.9130 0.0000 172.2792 11 D 4.5978 8.7608 118.0044 54.9142 41.7178 176.7333 12 G 4.3531 7.5546 109.2692 43.8506 0.0000 171.5839 13 P 4.4794 0.0000 0.0000 63.1973 32.0743 175.3795 14 V 4.6005 7.7888 120.4732 62.3357 32.1209 174.9194 15 Q 4.7437 7.9550 124.0715 55.5584 32.1045 173.7109 16 G 4.0436 7.8422 105.9139 46.5364 0.0000 171.4798 17 I 5.1755 7.8537 119.6021 59.4836 40.9420 175.0409 18 I 4.5977 8.8862 127.5088 59.4548 40.4170 174.3597 19 N 5.0010 8.2815 123.7419 51.3556 41.3308 173.8262 20 F 5.4356 9.0278 119.8907 55.8211 43.2920 173.7686 21 E 5.1566 9.7231 123.0688 54.7645 33.5308 173.7043 22 Q 4.7289 9.4135 127.9253 54.2982 31.1126 175.9025 23 K 4.0997 9.0218 127.2461 58.5152 32.7821 177.6901 24 E 4.7246 7.8003 116.7903 53.7252 32.6416 175.1245 25 S 4.2087 8.6415 116.5136 60.2195 62.5624 174.4002 26 N 4.3257 9.0597 123.1346 53.5238 36.2916 174.4249 27 G 3.9609 8.1272 108.0407 43.7906 0.0000 171.6218 28 P 4.5754 0.0000 0.0000 62.8287 32.1474 176.4059 29 V 4.6333 9.1643 123.5898 61.2428 33.7637 174.7262 30 K 4.8782 9.2621 128.2392 55.8551 33.8744 176.0303 31 V 4.8608 9.1061 124.5089 60.9207 34.5200 174.1983 32 W 5.8821 7.4122 123.4767 55.7656 32.0023 175.1893 33 G 3.9115 7.4798 106.6960 45.4713 0.0000 170.3514 34 S 5.0845 7.7918 112.8603 56.4571 65.9859 173.4683 35 I 5.0041 8.6785 127.3659 59.3419 40.1525 175.0324 36 K 4.7055 9.3003 126.0362 55.6398 35.8972 176.9844 37 G 3.7506 8.7035 105.5149 46.7302 0.0000 173.3654 38 L 4.5350 7.6899 119.7063 52.8286 43.2689 176.4695 39 T 4.3179 8.1308 111.0538 61.0287 69.5650 174.1016 40 E 4.1345 8.5938 124.4942 57.3892 30.4446 175.1799 41 G 3.7425 8.3909 110.6502 43.8941 0.0000 172.3438 42 L 4.8457 8.1825 118.9418 54.7456 42.8426 176.6320 43 H 5.0161 9.1764 119.2676 53.7071 33.0856 173.3159 44 G 4.0508 9.0967 110.9736 46.9488 0.0000 172.5254 45 F 5.3777 8.9308 125.1462 57.1963 42.3869 172.8664 46 H 5.2412 8.8882 122.6691 54.1526 33.8700 172.6678 47 V 4.4689 8.5262 121.2319 62.3212 32.7859 175.1742 48 H 5.0637 9.5425 125.9019 54.6182 30.5446 176.0962 49 E 3.6909 9.0393 122.2152 58.7978 29.8586 177.0475 50 F 4.9411 8.1800 118.0717 54.8095 41.8129 176.7859 51 G 4.5851 8.3221 112.1089 44.3187 0.0000 174.2686 52 D 4.7500 7.9006 117.3972 52.6954 42.7377 174.2039 53 N 5.0795 8.5827 124.5018 53.4762 39.1570 175.6217 54 T 3.9766 8.5361 109.3087 63.5414 69.0067 174.0458 55 A 4.6860 7.6231 125.0576 51.4710 19.5956 177.0174 56 G 3.8416 8.0561 111.2069 47.2595 0.0000 175.9596 57 C 4.3954 8.6103 115.2150 59.8799 36.8035 175.6808 58 T 3.8379 7.9589 117.7577 66.4475 67.8574 175.6198 59 S 4.4406 7.6226 112.4978 59.4107 63.5355 175.5295 60 A 4.6368 7.5472 126.6712 54.1751 18.2406 178.5435 61 G 4.2820 8.0124 106.0091 44.1540 0.0000 170.2110 62 P 4.7641 0.0000 0.0000 61.9486 34.4415 174.8579 63 H 4.5983 8.3880 116.2723 55.8300 29.6145 175.5635 64 F 4.2597 9.0119 125.5969 58.2239 40.2539 175.1353 65 N 5.1775 7.8906 124.9219 51.8832 39.3494 172.8616 66 P 4.1581 0.0000 0.0000 64.8504 32.1095 178.0169 67 L 4.3695 7.6332 117.0420 53.5812 41.9927 176.3681 68 S 3.5894 7.4634 113.4379 59.7851 60.7065 171.4671 69 R 4.4914 8.2020 118.0917 54.5744 32.4061 176.4193 70 K 4.4820 9.0737 118.3950 55.5970 34.0046 176.4095 71 H 4.0235 8.8759 122.9069 56.8624 30.4006 174.8215 72 G 4.0419 7.5541 110.2283 45.2063 0.0000 171.7879 73 G 4.1902 9.0821 109.0335 43.2126 0.0000 173.3377 74 P 4.3580 0.0000 0.0000 65.3977 31.3339 178.1853 75 K 4.2305 7.9049 114.7294 57.4242 32.4242 176.8089 76 D 4.6469 7.5658 119.4937 53.5719 41.6435 176.3193 77 E 3.9127 8.6656 123.1664 58.8037 29.6921 176.4106 78 E 4.2428 7.9724 121.2802 55.4287 28.7324 174.7955 79 R 4.7060 7.6041 119.9783 55.8643 32.3165 174.5968 80 H 4.6526 8.9646 116.6782 55.1662 29.5388 176.9880 81 V 3.4583 8.2901 122.3250 66.2017 31.3654 177.2349 82 G 3.9118 8.2494 106.3218 46.0228 0.0000 173.0815 83 D 4.8151 7.8176 121.1268 53.6203 39.2001 175.8555 84 L 4.5779 8.3576 120.2258 53.9717 43.3221 178.7322 85 G 4.0853 7.9807 108.0945 46.4859 0.0000 173.8439 86 N 5.6842 8.6940 120.9906 51.3725 41.8543 173.5779 87 V 4.4757 8.6568 113.6804 59.8830 35.6826 174.6883 88 T 5.0513 8.3024 118.5137 61.8533 71.3147 172.9937 89 A 4.9595 9.0507 128.6446 50.4096 21.8117 177.0611 90 D 4.9721 8.6652 121.3691 52.0379 41.4587 177.0772 91 K 4.1239 8.4668 117.0020 59.3832 32.6979 177.1167 92 D 4.5459 8.2915 118.2864 54.1647 41.1721 177.0122 93 G 4.3468 8.3291 108.2664 44.5951 0.0000 172.7094 94 V 4.7312 8.0789 120.1942 60.9492 33.6530 174.4077 95 A 5.0270 8.9289 130.4771 50.0415 20.5062 175.5993 96 D 5.0730 8.5525 123.5650 53.4334 40.3673 175.7388 97 V 3.6265 8.5826 123.6283 62.7147 33.0187 174.8813 98 S 4.7593 8.4167 122.7463 57.6287 64.2368 172.8319 99 I 4.8341 9.2326 128.1913 59.4239 41.6641 174.0591 100 E 5.2129 8.8790 125.5538 54.5109 32.1304 174.4669 101 D 4.8920 9.3657 125.7438 52.7003 44.7837 175.6834 102 S 4.8629 8.9187 119.6454 58.4770 63.7225 174.7485 103 V 4.0391 7.9729 121.2963 64.5320 32.0652 176.3692 104 I 4.1756 8.0115 111.8978 60.9651 38.4241 174.5052 105 S 4.6271 8.3903 113.9897 57.6121 65.2730 174.2471 106 L 4.4798 9.0907 125.9996 55.5046 41.5868 178.7641 107 S 4.5140 7.6600 115.4067 57.9369 63.5419 179.2529 *110 H 4.9464 8.3384 116.5187 56.1468 30.1149 172.8296 111 C 4.4853 8.3359 120.5566 59.7582 31.9975 173.2487 112 I 3.9572 8.1439 118.8641 60.2549 37.9337 175.5120 113 I 3.7081 7.2270 122.8214 62.9076 37.5808 176.3761 114 G 3.8271 9.3319 113.4742 45.2274 0.0000 172.8656 115 R 5.0256 7.3272 118.6911 54.6755 33.7852 174.4438 116 T 5.0282 7.9924 115.0394 62.1390 71.5827 173.4332 117 L 4.8597 8.7096 128.4858 53.8545 44.1541 175.3102 118 V 4.9575 8.7341 125.7205 60.9808 35.1367 174.2121 119 V 5.1121 8.6198 126.7693 60.4594 33.9065 174.7353 120 H 5.2625 8.8605 120.7963 54.0545 30.8652 174.5921 121 E 4.2094 9.3155 121.4957 58.8468 30.1263 176.1808 122 K 4.8223 8.4187 117.1270 53.8908 36.3800 175.7447 123 A 4.4351 8.3481 122.9922 52.1321 18.9948 176.0936 124 D 4.9926 9.3883 121.6876 53.6437 41.9072 176.1870 125 D 4.6183 9.2095 125.6016 53.0041 39.6934 176.6313 126 L 3.5052 9.6488 118.7119 56.2202 39.5487 175.5941 127 G 3.9509 8.8582 104.4868 45.8669 0.0000 174.6825 128 K 4.4839 7.8980 117.2496 56.0375 32.1638 177.6373 129 G 3.7213 7.7820 108.8891 45.5274 0.0000 175.4617 130 G 3.9034 8.4304 107.3625 45.7698 0.0000 172.4672 131 N 5.1037 7.6498 114.8800 49.5389 40.6822 174.4906 132 E 4.0329 8.6877 118.5451 59.3326 29.4757 178.3481 133 E 3.9040 8.1337 119.0950 59.1883 29.6437 178.4374 134 S 4.1057 8.6428 113.7386 61.5293 62.5078 175.7363 135 T 4.2094 7.8064 110.7037 62.8622 68.4331 175.6556 136 K 4.2475 7.6925 120.0216 57.8539 34.0329 176.8349 137 T 4.0725 7.8356 106.1456 60.1233 70.0067 175.1248 138 G 4.3317 8.2104 110.3042 45.6319 0.0000 173.7791 139 N 4.3087 7.8562 114.5906 54.1293 36.6262 175.6416 140 A 4.2645 7.0650 118.0888 51.7528 19.3330 180.0683 141 G 4.1135 7.3612 104.7005 44.9820 0.0000 173.7541 142 S 4.4489 8.3280 114.6096 58.3424 64.8955 174.3508 143 R 4.4508 8.3908 120.3465 55.4352 29.6839 176.4063 144 L 4.3333 8.8987 125.8657 57.3136 43.1403 177.1997 145 A 5.0128 7.7645 117.9855 51.2655 22.7359 174.1305 146 C 5.1390 9.0617 114.1659 55.0627 46.6024 172.6751 147 G 4.6201 8.4689 104.5506 46.1615 0.0000 172.8445 148 V 4.3547 8.2898 120.8275 62.3813 32.8241 175.4540 149 I 4.1976 8.7510 129.0024 60.7399 38.1033 175.3393 150 G 4.4279 9.0045 114.5793 43.8361 0.0000 172.1850 151 I 4.2904 8.3073 121.3395 61.2092 37.5361 175.5826 152 A 4.8178 8.5273 128.1478 49.5376 22.1938 176.1537 153 Q 4.0678 8.5101 118.6683 56.4777 29.1910 176.0330 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 1 A 8.16 5.30 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 2 T 7.97 4.17 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 1.22 0.00 0.00 3 K 8.92 5.32 0.00 1.71 1.71 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 4 A 9.18 5.44 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 5 V 8.88 5.01 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 0.76 0.00 0.00 0.88 0.00 0.00 6 C 9.18 4.94 0.00 3.18 2.90 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 7 V 8.51 4.65 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 9.00 4.82 0.00 1.73 1.58 1.02 0.59 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 9 K 9.06 4.85 0.00 1.62 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.53 7.81 10 G 7.97 4.61 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 0.00 0.00 0.00 11 D 8.76 4.60 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 12 G 7.55 4.35 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 0.00 13 P 0.00 4.48 0.00 2.22 2.29 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 14 V 7.79 4.60 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 0.53 0.00 0.00 0.95 0.00 0.00 15 Q 7.96 4.74 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 16 G 7.84 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 0.00 0.00 0.00 17 I 7.85 5.18 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.34 0.81 0.00 0.00 18 I 8.89 4.60 1.82 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 1.25 1.23 0.43 0.00 0.00 19 N 8.28 5.00 0.00 1.44 1.48 0.00 0.00 6.48 8.15 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 20 F 9.03 5.44 0.00 2.91 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 21 E 9.72 5.16 0.00 2.45 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 2.31 2.39 0.00 22 Q 9.41 4.73 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 23 K 9.02 4.10 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.48 7.81 24 E 7.80 4.72 0.00 1.99 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 2.29 2.26 0.00 25 S 8.64 4.21 0.00 3.83 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 26 N 9.06 4.33 0.00 2.91 2.97 0.00 0.00 7.09 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 27 G 8.13 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 28 P 0.00 4.58 0.00 1.99 2.14 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 9.16 4.63 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 1.33 0.00 0.00 1.07 0.00 0.00 30 K 9.26 4.88 0.00 1.89 1.83 0.00 1.51 0.00 0.00 1.37 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.41 7.81 31 V 9.11 4.86 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 0.87 0.00 0.00 1.10 0.00 0.00 32 W 7.41 5.88 0.00 3.53 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 33 G 7.48 3.91 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 0.00 0.00 0.00 34 S 7.79 5.08 0.00 3.85 3.64 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 35 I 8.68 5.00 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.93 0.00 0.00 36 K 9.30 4.71 0.00 1.73 1.90 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.34 7.81 37 G 8.70 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 38 L 7.69 4.54 0.00 1.78 1.39 0.81 0.30 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 39 T 8.13 4.32 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 1.24 0.00 0.00 40 E 8.59 4.13 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 2.30 2.48 0.00 41 G 8.39 3.74 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 0.00 0.00 0.00 42 L 8.18 4.85 0.00 1.51 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.18 5.02 0.00 3.03 3.32 0.00 5.63 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 44 G 9.10 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.93 5.38 0.00 3.01 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 46 H 8.89 5.24 0.00 3.12 2.95 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.53 4.47 2.13 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 0.92 0.00 0.00 0.89 0.00 0.00 48 H 9.54 5.06 0.00 3.08 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.04 3.69 0.00 1.65 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 1.47 2.00 0.00 50 F 8.18 4.94 0.00 3.04 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 51 G 8.32 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.90 4.75 0.00 2.62 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 53 N 8.58 5.08 0.00 2.67 2.74 0.00 0.00 7.26 7.70 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 54 T 8.54 3.98 4.22 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 1.24 0.00 0.00 55 A 7.62 4.69 1.24 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 56 G 8.06 3.84 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 0.00 0.00 0.00 57 C 8.61 4.40 0.00 2.96 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 T 7.96 3.84 4.43 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 1.23 0.00 0.00 59 S 7.62 4.44 0.00 4.14 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 60 A 7.55 4.64 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 61 G 8.01 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 0.00 0.00 0.00 0.00 62 P 0.00 4.76 0.00 2.04 2.22 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 63 H 8.39 4.60 0.00 2.79 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.01 4.26 0.00 2.90 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 65 N 7.89 5.18 0.00 2.62 2.45 0.00 0.00 6.94 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 66 P 0.00 4.16 0.00 2.03 1.88 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 67 L 7.63 4.37 0.00 1.56 1.66 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.46 3.59 0.00 3.97 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 69 R 8.20 4.49 0.00 1.87 2.01 0.00 3.11 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 70 K 9.07 4.48 0.00 1.72 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 71 H 8.88 4.02 0.00 3.21 3.28 0.00 5.93 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 72 G 7.55 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 0.00 0.00 0.00 73 G 9.08 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 74 P 0.00 4.36 0.00 2.11 2.18 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 75 K 7.90 4.23 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 76 D 7.57 4.65 0.00 2.79 2.63 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 77 E 8.67 3.91 0.00 1.92 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 2.28 2.23 0.00 78 E 7.97 4.24 0.00 2.06 1.82 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 2.32 2.30 0.00 79 R 7.60 4.71 0.00 1.83 1.77 0.00 2.85 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 80 H 8.96 4.65 0.00 3.50 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.29 3.46 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.44 0.00 0.00 82 G 8.25 3.91 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 0.00 0.00 0.00 83 D 7.82 4.82 0.00 2.78 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 84 L 8.36 4.58 0.00 2.03 1.92 0.96 0.99 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 85 G 7.98 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 0.00 0.00 0.00 0.00 86 N 8.69 5.68 0.00 2.60 2.72 0.00 0.00 6.54 7.68 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 87 V 8.66 4.48 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 -0.11 0.00 0.00 0.77 0.00 0.00 88 T 8.30 5.05 4.22 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 1.20 0.00 0.00 89 A 9.05 4.96 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 90 D 8.67 4.97 0.00 2.90 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 91 K 8.47 4.12 0.00 1.87 1.98 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.52 7.81 92 D 8.29 4.55 0.00 2.82 2.73 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 93 G 8.33 4.35 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 0.00 94 V 8.08 4.73 2.33 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 1.04 0.00 0.00 0.92 0.00 0.00 95 A 8.93 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.55 5.07 0.00 2.56 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 97 V 8.58 3.63 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 0.63 0.00 0.00 0.54 0.00 0.00 98 S 8.42 4.76 0.00 3.89 3.71 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 99 I 9.23 4.83 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 1.03 0.00 0.00 100 E 8.88 5.21 0.00 1.96 1.82 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 2.21 2.31 0.00 101 D 9.37 4.89 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.92 4.86 0.00 3.90 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 0.00 103 V 7.97 4.04 2.28 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 0.85 0.00 0.00 0.96 0.00 0.00 104 I 8.01 4.18 1.95 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 1.52 0.82 1.04 0.00 0.00 105 S 8.39 4.63 0.00 3.82 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 0.00 106 L 9.09 4.48 0.00 1.79 1.65 1.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.66 4.51 0.00 3.54 3.65 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 *110 H 8.34 4.95 0.00 3.25 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.34 4.49 0.00 2.95 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 0.00 112 I 8.14 3.96 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.15 0.98 0.00 0.00 113 I 7.23 3.71 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.83 0.00 0.00 114 G 9.33 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 0.00 115 R 7.33 5.03 0.00 1.61 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 116 T 7.99 5.03 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 1.21 0.00 0.00 117 L 8.71 4.86 0.00 1.78 1.53 0.37 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.73 4.96 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 0.71 0.00 0.00 0.71 0.00 0.00 119 V 8.62 5.11 2.33 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 0.82 0.00 0.00 1.00 0.00 0.00 120 H 8.86 5.26 0.00 3.33 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.32 4.21 0.00 2.08 2.11 0.00 0.00 0.00 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 2.34 0.00 122 K 8.42 4.82 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.35 4.44 1.25 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 0.00 0.00 124 D 9.39 4.99 0.00 2.71 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 0.00 125 D 9.21 4.62 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 0.00 126 L 9.65 3.51 0.00 1.78 1.79 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.86 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 0.00 128 K 7.90 4.48 0.00 1.90 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.53 7.81 129 G 7.78 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 0.00 130 G 8.43 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 0.00 131 N 7.65 5.10 0.00 2.76 2.76 0.00 0.00 6.14 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 0.00 132 E 8.69 4.03 0.00 2.15 1.98 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 2.38 1.94 0.00 133 E 8.13 3.90 0.00 2.11 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 0.00 2.45 2.41 0.00 134 S 8.64 4.11 0.00 4.08 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 0.00 135 T 7.81 4.21 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 1.21 0.00 0.00 136 K 7.69 4.25 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.56 7.81 137 T 7.84 4.07 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 1.18 0.00 0.00 138 G 8.21 4.33 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 0.00 139 N 7.86 4.31 0.00 3.03 2.90 0.00 0.00 6.92 8.79 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 0.00 140 A 7.06 4.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.36 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.45 0.00 3.99 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 0.00 143 R 8.39 4.45 0.00 1.69 1.86 0.00 3.20 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 144 L 8.90 4.33 0.00 1.62 1.70 0.94 0.47 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 0.00 145 A 7.76 5.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.06 5.14 0.00 3.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.47 4.62 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 0.00 0.00 0.00 148 V 8.29 4.35 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 0.76 0.00 0.00 0.97 0.00 0.00 149 I 8.75 4.20 1.78 0.00 0.00 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 1.03 0.44 0.38 0.00 0.00 150 G 9.00 4.43 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 0.00 151 I 8.31 4.29 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.53 4.82 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 0.00 153 Q 8.51 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.