NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0011 8.0393 120.3120 61.6336 32.8017 175.2320 2 L 4.2101 8.4792 116.7379 56.9486 40.8942 175.8933 3 S 3.4215 8.4836 121.6908 62.2299 64.0734 176.0112 4 A 4.0091 8.3085 118.9672 52.1604 18.0592 179.7341 5 A 3.9959 8.1382 118.0347 55.0086 18.6509 179.0623 6 D 4.9579 7.9858 118.2094 56.9392 40.8764 178.8948 7 K 3.7707 8.1414 118.3276 59.7668 32.0011 179.2213 8 S 4.0691 7.7330 112.9702 61.7725 62.8614 175.5293 9 N 4.1236 8.8098 120.8953 56.6547 38.4535 177.2168 10 V 3.4753 8.8313 120.0094 65.9327 31.5963 178.2528 11 K 3.8464 8.3404 118.4097 59.6268 31.6233 178.9464 12 A 4.1569 8.3175 120.6690 54.4988 18.4419 179.5462 13 A 4.0266 8.3375 119.8633 55.0003 18.4561 179.7392 14 W 4.0522 8.3565 126.6209 60.5055 30.6622 178.1515 15 G 3.8360 7.9461 104.4275 48.2093 0.0000 175.2912 16 K 4.0645 7.5338 119.3506 59.0350 32.3058 179.3149 17 V 3.5519 7.5573 118.8855 63.6782 31.3700 177.7337 18 G 3.5920 8.6323 108.0192 46.8386 0.0000 174.5316 19 G 3.8355 8.6416 112.7671 45.7755 0.0000 173.5787 20 N 4.4664 7.6577 115.8827 52.3528 39.3320 176.1541 21 A 3.7950 7.2695 123.5670 54.8420 18.3435 179.8785 22 G 3.4478 7.8126 104.0161 47.9840 0.0000 175.6181 23 A 4.0732 7.7022 123.3001 54.7264 18.4662 179.1591 24 Y 4.2921 8.3868 115.7635 61.0760 37.9430 179.0724 25 G 3.6380 8.2203 106.7724 47.5085 0.0000 175.8210 26 A 4.0939 7.8826 122.6607 54.7364 18.0731 179.4238 27 E 3.8558 8.5466 117.9333 59.2553 29.7577 178.6430 28 A 4.0565 8.2111 121.0904 55.5976 18.4039 179.0844 29 L 3.4680 7.7894 116.6872 57.5163 41.0949 179.3297 30 E 4.0378 8.6877 118.4350 59.9213 29.5111 180.0734 31 R 3.9040 8.9318 118.4353 59.4320 30.1294 178.7416 32 M 4.1588 8.1649 118.0465 58.9389 32.0505 178.4032 33 F 4.6569 7.6682 116.0870 60.1240 39.0452 177.0253 34 L 4.3728 7.4671 116.8850 57.0756 42.0125 178.7880 35 S 4.2165 7.6436 114.0021 59.4755 64.2084 174.5893 36 F 4.9930 7.8339 120.7504 53.9227 39.0203 173.4215 37 P 4.4867 0.0000 0.0000 65.9253 31.6173 177.5421 38 T 3.9305 8.3065 108.1202 65.3794 68.2826 176.0948 39 T 4.2508 8.6767 112.3253 64.3521 68.8366 176.8531 40 K 4.0426 8.5080 122.3901 59.8364 31.8981 178.6838 41 T 3.9006 7.6994 108.0102 64.6177 68.5955 175.5420 42 Y 4.0127 7.8037 117.8838 59.0643 38.9365 175.4597 43 F 4.7217 8.1614 119.1593 55.7048 39.4530 175.0084 44 P 4.3354 0.0000 0.0000 65.4689 31.5766 176.9180 45 H 4.9160 8.2584 112.9932 55.0896 28.7621 174.1940 46 F 4.9530 8.2957 119.0730 55.6319 40.9377 174.8070 47 D 4.3453 9.1048 125.2243 54.9443 40.8789 175.6364 48 L 4.5071 8.2768 125.5362 54.3215 42.0820 176.7981 49 S 4.2382 8.2199 114.1694 58.0263 62.8310 173.4841 50 H 4.0144 8.6792 124.4061 57.7061 30.0287 175.1174 51 G 3.7112 8.5959 115.0284 46.7897 0.0000 173.6640 52 S 4.5974 7.7995 113.6560 56.1429 64.7409 174.7716 53 A 3.9396 8.6858 128.0147 55.4143 17.9342 179.1948 54 Q 3.7428 7.8921 116.1411 58.8761 28.7906 178.6103 55 V 3.8267 8.4735 119.8151 65.5522 31.5055 178.0597 56 K 4.0224 8.0910 119.2085 59.5434 32.0564 178.8042 57 G 4.1691 8.1755 105.9897 46.1319 0.0000 175.0991 58 H 4.4486 8.5260 120.7850 58.9913 29.9528 176.8448 59 G 3.9450 8.5133 107.2365 48.2696 0.0000 175.0755 60 E 3.9280 8.7211 121.0189 58.7945 29.8515 179.9392 61 K 4.1470 7.7540 117.6582 58.7379 32.4606 179.4523 62 V 3.6607 8.6917 118.7903 65.1596 31.2858 177.1383 63 A 4.6371 8.0646 119.0009 53.0249 19.1658 178.9145 64 A 4.0615 7.7387 119.5035 54.7618 18.4422 179.7609 65 A 3.9399 7.9940 118.9851 55.5196 18.5230 179.9218 66 L 4.0181 7.7836 117.3203 57.9346 41.5178 180.2043 67 T 4.0690 7.8675 116.0499 66.5182 68.3726 176.4556 68 K 3.8845 8.2359 120.2806 59.8128 32.3120 177.9951 69 A 4.1898 8.6899 121.0548 55.4097 18.0651 179.7851 70 V 3.4088 7.3773 115.7973 65.4787 31.5404 178.1495 71 G 3.7020 7.7600 104.8029 46.8552 0.0000 173.7665 72 H 5.0281 7.5586 116.3186 54.1533 29.3240 174.2711 73 L 4.0396 8.1286 121.9025 58.1395 41.9256 178.7053 74 D 4.3846 7.7956 121.5332 56.2590 40.0996 174.5355 75 D 4.5912 8.6630 124.1522 55.3023 38.5796 174.3383 76 L 4.2463 7.8866 122.7095 56.4821 42.3006 176.1976 77 P 4.1848 0.0000 0.0000 65.9338 31.0058 178.6734 78 G 3.6325 8.2556 103.0753 47.1827 0.0000 175.0347 79 T 4.2062 7.5515 113.6877 63.9873 68.0376 176.3544 80 L 4.0085 8.8134 121.5160 55.9152 42.1128 180.8284 81 S 3.4440 8.8513 110.3676 59.1656 64.1677 174.3570 82 D 4.3612 8.6848 119.4663 56.0053 40.4484 178.1142 83 L 4.0726 9.0352 122.7873 57.0645 41.4847 179.3543 84 S 4.2678 8.3049 116.7771 61.1991 62.6056 176.0307 85 D 4.3652 8.0086 118.7599 57.6031 41.4025 178.1051 86 L 4.0835 8.3026 120.6165 58.4213 42.2164 178.1435 87 H 4.7245 8.4379 113.7360 56.1311 28.7734 176.1458 88 A 4.6876 7.8231 122.6344 51.8766 19.5179 176.7026 *90 K 4.3429 8.0183 120.2687 56.6143 33.8430 176.4462 91 L 4.4944 7.7604 116.2578 53.5996 44.1859 176.4207 92 R 3.7603 7.8830 115.8518 56.9761 26.9350 175.7849 93 V 4.1054 8.1170 116.7182 61.2945 33.2095 175.1714 94 D 4.5476 9.0548 127.5063 53.8930 41.7410 175.5847 95 P 4.5151 0.0000 0.0000 65.5971 31.5705 178.8249 96 V 3.7628 7.9522 112.8404 63.9514 31.3087 177.9612 97 N 4.1976 7.8627 115.5003 56.1837 38.2351 177.1536 98 F 3.6789 8.1373 118.8234 60.7020 38.9245 177.2186 99 K 3.8578 7.8775 117.6596 59.5839 31.6221 178.8853 100 L 3.1858 7.6190 118.9835 57.8951 41.7196 179.4267 101 L 3.9786 7.8280 119.8152 58.1378 42.2770 178.6777 102 S 4.1158 8.2691 115.6137 62.3389 62.7384 176.5656 103 H 4.3037 9.0761 121.3471 59.3756 29.5014 177.2446 104 S 4.1441 8.4277 117.2016 60.7432 62.7362 176.5691 105 L 4.0261 7.8494 121.6351 57.8467 41.5047 179.1539 106 L 4.2532 7.8709 118.4305 57.7990 41.3685 179.9319 107 V 3.4244 7.3557 118.2625 66.0489 31.5066 178.2295 108 T 3.6704 7.7473 115.3899 66.6051 68.2154 176.1541 109 L 3.7424 8.2010 120.8257 58.2171 41.6001 179.7677 110 A 3.0696 7.1177 118.6007 54.4647 18.0796 179.3020 111 C 4.0788 7.1750 114.9984 63.3290 28.3493 175.4330 112 H 4.2990 7.7561 116.0784 57.0741 30.0483 176.3045 113 L 4.8446 8.4863 120.9493 53.0328 40.7405 175.7592 114 P 4.3513 0.0000 0.0000 65.5918 32.0795 179.1198 115 N 4.5475 8.1616 113.9388 55.0659 38.7450 175.2557 116 D 4.7596 7.3076 116.5820 54.3828 42.6439 176.5864 117 F 4.4733 7.8391 123.9131 57.1325 38.3252 175.5627 118 T 4.0746 7.4889 113.1795 61.1147 69.7898 174.3530 119 P 4.0527 0.0000 0.0000 65.1990 31.4219 176.8035 120 A 4.5021 7.7589 118.8668 52.4319 20.7134 178.6566 121 V 3.4277 7.8629 116.1833 65.9165 31.2976 177.4075 122 H 3.7875 7.7281 116.5348 59.1099 29.8131 175.9128 123 A 3.9152 7.9913 122.5618 53.0672 17.7015 180.1304 124 S 4.0524 7.9218 112.7834 60.4491 63.9388 176.5333 125 L 4.1678 8.0578 121.8204 57.9615 41.2976 179.0867 126 D 4.3895 8.3293 117.7685 57.4033 41.2668 178.2280 127 K 3.8668 8.1300 118.3188 59.7403 32.1365 178.8495 128 F 4.3401 8.7438 120.9919 61.3483 39.2565 177.0484 129 L 3.6755 8.1202 118.0936 56.8305 41.3947 179.3073 130 A 3.8980 8.0750 121.5199 55.0555 18.3473 179.3293 131 N 4.1451 8.5220 115.2867 56.4244 38.6845 177.4300 132 V 3.3694 7.1724 119.5184 66.5008 31.3457 178.2721 133 S 4.1919 7.8782 113.5334 60.8668 62.3535 176.5456 134 T 3.9322 7.3944 118.1912 65.7549 68.7286 176.7280 135 V 3.6295 8.0989 120.4417 66.2226 31.6757 177.9240 136 L 3.8649 8.1300 119.0001 57.8703 41.1228 178.7242 137 T 4.1769 6.5888 106.1040 61.7904 68.9864 174.8529 138 S 4.2033 8.3595 122.6011 59.0784 63.0432 173.7991 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 V 8.04 4.00 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 0.93 0.00 0.00 0.93 0.00 0.00 2 L 8.48 4.21 0.00 2.14 1.82 0.95 0.71 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 3 S 8.48 3.42 0.00 4.02 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 4 A 8.31 4.01 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 5 A 8.14 4.00 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 6 D 7.99 4.96 0.00 2.69 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 7 K 8.14 3.77 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.70 7.81 8 S 7.73 4.07 0.00 4.06 4.10 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 9 N 8.81 4.12 0.00 2.86 2.89 0.00 0.00 6.69 5.12 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 10 V 8.83 3.48 1.73 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 0.03 0.00 0.00 0.81 0.00 0.00 11 K 8.34 3.85 0.00 2.09 1.85 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.48 7.81 12 A 8.32 4.16 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 13 A 8.34 4.03 1.50 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 0.00 0.00 14 W 8.36 4.05 0.00 3.59 3.13 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 0.00 0.00 0.00 0.00 15 G 7.95 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 16 K 7.53 4.06 0.00 2.03 1.90 0.00 1.91 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.62 7.81 17 V 7.56 3.55 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 0.03 0.00 0.00 0.81 0.00 0.00 18 G 8.63 3.59 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 19 G 8.64 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 20 N 7.66 4.47 0.00 2.21 1.71 0.00 0.00 6.88 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 21 A 7.27 3.79 1.04 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 22 G 7.81 3.45 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 23 A 7.70 4.07 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 24 Y 8.39 4.29 0.00 2.89 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 25 G 8.22 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 0.00 0.00 0.00 26 A 7.88 4.09 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 27 E 8.55 3.86 0.00 2.07 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 0.00 2.27 2.31 0.00 28 A 8.21 4.06 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 29 L 7.79 3.47 0.00 1.87 1.41 0.93 0.45 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 30 E 8.69 4.04 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 31 R 8.93 3.90 0.00 1.82 1.94 0.00 3.06 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 32 M 8.16 4.16 0.00 1.58 1.96 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 33 F 7.67 4.66 0.00 3.10 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 34 L 7.47 4.37 0.00 1.90 1.70 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.64 4.22 0.00 2.94 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 36 F 7.83 4.99 0.00 3.23 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 37 P 0.00 4.49 0.00 2.22 2.17 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 38 T 8.31 3.93 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 1.27 0.00 0.00 39 T 8.68 4.25 4.40 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 1.32 0.00 0.00 40 K 8.51 4.04 0.00 2.13 1.92 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.58 7.81 41 T 7.70 3.90 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 1.26 0.00 0.00 42 Y 7.80 4.01 0.00 2.93 2.45 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 43 F 8.16 4.72 0.00 2.65 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 0.00 0.00 0.00 44 P 0.00 4.34 0.00 2.21 2.19 0.00 3.91 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 2.09 1.96 0.00 45 H 8.26 4.92 0.00 3.39 3.51 0.00 5.67 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.30 4.95 0.00 2.80 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 D 9.10 4.35 0.00 2.62 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 48 L 8.28 4.51 0.00 1.50 1.36 0.43 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.22 4.24 0.00 3.82 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 50 H 8.68 4.01 0.00 3.15 3.21 0.00 6.06 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.60 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 0.00 0.00 0.00 52 S 7.80 4.60 0.00 4.00 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 53 A 8.69 3.94 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 54 Q 7.89 3.74 0.00 1.87 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 55 V 8.47 3.83 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 1.17 0.00 0.00 1.07 0.00 0.00 56 K 8.09 4.02 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.58 7.81 57 G 8.18 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 0.00 0.00 0.00 0.00 58 H 8.53 4.45 0.00 3.80 3.47 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.51 3.94 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 0.00 0.00 0.00 60 E 8.72 3.93 0.00 2.19 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 2.35 2.55 0.00 61 K 7.75 4.15 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.47 7.81 62 V 8.69 3.66 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 1.04 0.00 0.00 0.92 0.00 0.00 63 A 8.06 4.64 1.50 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 0.00 0.00 64 A 7.74 4.06 1.45 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 65 A 7.99 3.94 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 66 L 7.78 4.02 0.00 1.78 1.42 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.87 4.07 4.66 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 1.40 0.00 0.00 68 K 8.24 3.88 0.00 1.78 2.02 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.55 7.81 69 A 8.69 4.19 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.41 1.74 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 0.57 0.00 0.00 0.00 0.00 0.00 71 G 7.76 3.70 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 0.00 0.00 0.00 72 H 7.56 5.03 0.00 3.03 3.27 0.00 5.88 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.13 4.04 0.00 1.60 1.75 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.80 4.38 0.00 2.67 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 75 D 8.66 4.59 0.00 2.74 2.93 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 0.00 0.00 0.00 76 L 7.89 4.25 0.00 1.72 1.67 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.18 0.00 2.13 2.10 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 78 G 8.26 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 79 T 7.55 4.21 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 1.22 0.00 0.00 80 L 8.81 4.01 0.00 1.67 1.67 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.85 3.44 0.00 4.05 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 82 D 8.68 4.36 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.04 4.07 0.00 1.75 1.82 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.30 4.27 0.00 3.91 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 85 D 8.01 4.37 0.00 2.63 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 86 L 8.30 4.08 0.00 1.79 1.87 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.44 4.72 0.00 3.58 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.82 4.69 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 *90 K 8.02 4.34 0.00 1.75 2.02 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 91 L 7.76 4.49 0.00 1.70 1.70 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.88 3.76 0.00 2.00 1.99 0.00 3.21 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 93 V 8.12 4.11 2.27 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 0.29 0.00 0.00 0.72 0.00 0.00 94 D 9.05 4.55 0.00 2.87 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 95 P 0.00 4.52 0.00 2.23 2.19 0.00 3.78 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 2.06 1.95 0.00 96 V 7.95 3.76 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 0.88 0.00 0.00 0.93 0.00 0.00 97 N 7.86 4.20 0.00 2.77 2.60 0.00 0.00 6.85 8.01 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 98 F 8.14 3.68 0.00 3.24 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 99 K 7.88 3.86 0.00 1.94 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 L 7.62 3.19 0.00 1.25 0.39 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.83 3.98 0.00 1.56 1.55 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.27 4.12 0.00 4.12 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 0.00 103 H 9.08 4.30 0.00 3.20 3.42 0.00 5.77 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 0.00 104 S 8.43 4.14 0.00 3.94 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 0.00 105 L 7.85 4.03 0.00 1.94 1.89 0.98 0.84 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 0.00 106 L 7.87 4.25 0.00 1.93 1.91 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.36 3.42 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 0.94 0.00 0.00 0.83 0.00 0.00 108 T 7.75 3.67 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 0.90 0.00 0.00 109 L 8.20 3.74 0.00 1.68 1.88 1.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.12 3.07 0.09 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 0.00 111 C 7.17 4.08 0.00 2.99 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 0.00 112 H 7.76 4.30 0.00 2.65 3.27 0.00 5.60 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.49 4.84 0.00 1.67 1.66 1.04 1.13 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 0.00 114 P 0.00 4.35 0.00 2.18 2.09 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 115 N 8.16 4.55 0.00 2.74 2.90 0.00 0.00 6.80 8.06 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 0.00 116 D 7.31 4.76 0.00 2.93 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 0.00 117 F 7.84 4.47 0.00 3.18 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 0.00 118 T 7.49 4.07 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 1.22 0.00 0.00 119 P 0.00 4.05 0.00 2.05 2.19 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 120 A 7.76 4.50 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 0.00 121 V 7.86 3.43 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 0.89 0.00 0.00 0.90 0.00 0.00 122 H 7.73 3.79 0.00 2.01 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.99 3.92 1.27 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 0.00 0.00 0.00 124 S 7.92 4.05 0.00 3.87 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 0.00 125 L 8.06 4.17 0.00 1.83 1.94 1.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.33 4.39 0.00 3.00 2.82 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 0.00 127 K 8.13 3.87 0.00 2.04 1.89 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.52 7.81 128 F 8.74 4.34 0.00 3.03 3.32 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 0.00 129 L 8.12 3.68 0.00 1.83 1.62 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.08 3.90 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 0.00 131 N 8.52 4.15 0.00 2.68 2.83 0.00 0.00 6.67 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 0.00 132 V 7.17 3.37 1.63 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 0.83 0.00 0.00 0.04 0.00 0.00 133 S 7.88 4.19 0.00 4.02 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 0.00 134 T 7.39 3.93 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 1.12 0.00 0.00 135 V 8.10 3.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 136 L 8.13 3.86 0.00 1.37 1.58 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 137 T 6.59 4.18 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 0.72 0.00 0.00 138 S 8.36 4.20 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.