NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4077 0.0000 0.0000 62.6268 32.6651 176.0310 2 S 4.3312 8.4527 113.8906 57.4323 63.8620 172.2820 3 S 4.7415 7.7847 113.9786 56.9552 66.8478 173.5177 4 N 4.9699 8.3679 117.0858 53.1403 39.2910 174.3451 5 G 3.9561 7.9372 105.6454 43.7637 0.0000 173.5332 6 P 4.1542 0.0000 0.0000 65.4156 31.2740 177.7441 7 L 4.3632 7.6716 115.2563 54.4237 41.6447 176.1769 8 E 3.8912 7.9891 121.6899 57.3262 29.8079 177.1937 9 G 4.1974 8.7328 114.3907 47.1862 0.0000 173.5679 10 T 4.5659 7.0141 104.6524 60.8160 69.1604 176.3858 11 R 3.8380 8.2515 124.6292 59.6370 30.4670 177.1776 12 G 3.8753 7.8591 106.4866 47.1680 0.0000 175.8572 13 K 4.0405 8.0077 119.6849 58.2395 32.5445 177.1862 14 L 4.7431 7.4351 119.7877 54.1802 42.2682 175.9227 15 K 4.5938 7.8499 118.6635 54.5130 34.9432 175.0645 16 N 4.7565 8.5402 122.8156 51.9701 39.9511 175.2659 17 K 4.1571 8.7817 121.7649 56.4113 33.2101 177.0003 18 P 4.0653 0.0000 0.0000 65.9455 31.5441 178.1806 19 R 4.1473 7.8777 113.4200 56.7748 29.4686 176.5756 20 D 4.8123 8.5126 115.0396 53.6173 42.7327 175.9796 21 R 3.9867 7.7668 120.0541 57.0876 30.6662 176.6420 22 G 4.1607 8.3375 106.9653 45.4612 0.0000 173.3360 23 T 3.7688 8.1653 115.3139 63.8173 68.9908 174.1914 24 S 4.5992 8.3101 121.0668 56.6853 64.2347 172.3470 25 P 4.4119 0.0000 0.0000 62.0935 31.7768 176.3710 26 P 4.3121 0.0000 0.0000 65.0184 30.7489 178.4577 27 Q 3.9735 8.2037 118.9426 59.2999 28.6216 178.3636 28 R 4.3256 7.3087 112.6744 56.8785 30.0005 177.0622 29 A 4.5617 8.2209 121.4333 52.8371 19.6623 177.8232 30 V 4.1139 7.2086 114.5317 62.5242 32.8899 175.5049 31 E 3.6572 8.0326 118.9989 56.9122 29.6990 175.5757 32 E 4.8193 8.3694 124.8296 54.7332 31.3253 175.3254 33 F 4.9564 9.4729 122.3161 55.7177 41.9800 174.5715 34 D 5.0478 8.6721 122.5624 52.2208 42.6921 176.1365 35 D 4.6334 8.6874 122.0515 56.6021 41.1638 176.9779 36 G 4.0474 9.8026 113.6203 45.1737 0.0000 173.8365 37 E 4.1467 8.5358 119.9049 56.4167 30.9021 176.2977 38 K 4.7189 8.5514 122.7604 55.6054 33.6744 176.1258 39 V 4.7369 8.2095 117.8574 59.7376 35.8162 174.4985 40 H 5.1042 9.2753 120.9626 54.7202 31.0254 174.0544 41 L 5.0955 8.6931 122.2701 53.0276 43.7475 175.8059 42 K 4.9554 8.8297 123.0813 55.7507 35.9114 174.8957 43 I 3.8117 8.5981 129.3228 61.2610 37.7125 175.3521 44 D 4.6929 8.8667 124.2222 52.3021 41.2344 174.8166 45 P 4.2188 0.0000 0.0000 65.9827 31.4826 178.1714 46 S 4.1449 8.4712 113.2908 60.5597 62.9427 174.3906 47 V 3.9784 7.7823 120.5632 61.0273 30.8481 173.8585 48 P 4.2829 0.0000 0.0000 65.5055 31.4090 177.3221 49 N 4.6490 7.9034 113.6274 52.7960 40.0845 174.9120 50 G 4.0487 8.4342 103.2627 46.5260 0.0000 174.0912 51 R 4.1762 7.7961 117.9858 54.6533 31.3618 175.2263 52 F 4.9924 6.7847 114.2217 54.8586 40.6310 174.1945 53 H 4.2316 9.2439 120.1798 55.7688 30.0664 174.1740 54 P 3.8777 0.0000 0.0000 65.7894 31.4332 178.1216 55 R 3.7946 8.0948 116.9253 59.0208 30.0049 176.6525 56 F 5.0243 8.8670 116.1436 57.3462 39.1670 175.2137 57 D 4.7928 8.2550 122.2651 56.0238 40.9400 176.9723 58 G 4.0291 9.1040 112.6725 45.0819 0.0000 173.8910 59 Q 4.1840 7.7514 118.6660 56.2741 30.1955 175.6773 60 T 4.7825 8.3818 118.1964 62.1095 70.4662 173.7377 61 G 3.9923 8.1860 115.8186 45.2373 0.0000 169.5602 62 T 4.8605 8.1069 116.8705 61.2933 71.7221 174.1879 63 V 3.7750 8.5559 127.8266 63.0724 32.4482 175.7603 64 E 4.7891 8.7147 126.6058 54.3557 29.3964 174.9686 65 G 4.0437 9.3167 105.6479 44.9802 0.0000 170.5160 66 K 4.8550 7.9266 115.9885 55.0274 35.5288 175.6853 67 Q 4.3751 8.4985 121.3609 54.9263 30.6158 175.1320 68 G 3.9834 8.4028 116.9633 46.9840 0.0000 174.0052 69 D 4.3121 8.6666 120.8709 55.8449 41.6093 176.4571 70 A 4.4090 7.5149 121.4285 51.8569 20.0500 176.0090 71 Y 4.8099 9.3024 117.0307 56.4216 41.2620 175.7271 72 K 4.8282 8.9012 122.0410 55.1882 33.5941 175.3332 73 V 4.5111 8.7529 126.4439 61.4764 33.7008 174.2721 74 D 5.3374 8.5844 127.3325 53.0892 43.0925 175.6100 75 I 4.6414 8.5703 115.3709 59.6196 42.0956 174.0556 76 V 4.6199 8.0180 120.8759 60.5553 33.0422 174.7267 77 D 4.5561 8.9990 124.6813 53.8268 42.3710 176.7430 *78 G 3.9355 8.2573 109.0348 45.4556 0.0000 173.3673 79 G 4.0274 8.4062 107.9869 44.8132 0.0000 173.1373 80 K 4.4381 8.1732 122.4096 54.4240 33.4198 175.2901 81 E 4.7044 8.5549 125.9200 56.4081 30.3139 176.2425 82 K 4.6737 9.2098 122.0228 55.1683 37.2550 175.0726 83 T 4.8409 8.4157 118.8856 61.9749 70.6031 173.7801 84 I 4.4192 8.9667 127.9915 59.5270 39.8817 174.8336 85 I 4.8523 8.4777 128.3406 60.3850 37.6690 175.5421 86 V 4.9957 9.0124 127.1224 60.3277 34.9835 174.6582 87 T 4.8855 8.6369 112.5799 60.4726 70.8328 175.3874 88 A 4.2241 9.3115 125.7711 55.7474 18.6120 179.7027 89 A 4.1063 8.2400 116.8638 55.7305 18.5607 177.9886 90 H 5.1627 8.3516 110.4058 54.9407 28.9526 174.2898 91 L 5.6874 8.1174 118.7349 52.3015 45.3938 176.2054 92 R 4.8906 7.9586 117.6021 54.8271 34.6969 175.0221 93 R 4.5237 8.8361 122.3048 56.3316 30.9486 176.0921 94 Q 3.9280 8.6382 124.9666 56.6471 30.0412 175.7370 95 E 4.1427 8.8285 123.9884 56.8872 29.1196 174.2945 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 P 0.00 4.41 0.00 2.20 2.31 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 2 S 8.45 4.33 0.00 4.04 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 3 S 7.78 4.74 0.00 3.92 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 4 N 8.37 4.97 0.00 2.62 2.76 0.00 0.00 6.96 7.98 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 5 G 7.94 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 6 P 0.00 4.15 0.00 1.96 1.97 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 7 L 7.67 4.36 0.00 1.59 1.63 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.99 3.89 0.00 2.02 1.85 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 2.29 2.64 0.00 9 G 8.73 4.20 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 0.00 0.00 0.00 10 T 7.01 4.57 4.20 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 1.24 0.00 0.00 11 R 8.25 3.84 0.00 1.78 2.00 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 12 G 7.86 3.88 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 0.00 0.00 0.00 13 K 8.01 4.04 0.00 2.04 1.98 0.00 1.51 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 14 L 7.44 4.74 0.00 1.70 1.64 0.84 0.67 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 15 K 7.85 4.59 0.00 1.78 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 16 N 8.54 4.76 0.00 2.75 2.72 0.00 0.00 7.05 7.61 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 17 K 8.78 4.16 0.00 1.99 1.73 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 18 P 0.00 4.07 0.00 2.19 2.06 0.00 3.59 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 2.11 2.17 0.00 19 R 7.88 4.15 0.00 1.80 1.94 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 20 D 8.51 4.81 0.00 2.66 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 21 R 7.77 3.99 0.00 1.96 1.83 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 22 G 8.34 4.16 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 0.00 0.00 0.00 23 T 8.17 3.77 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 24 S 8.31 4.60 0.00 3.86 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 25 P 0.00 4.41 0.00 2.18 1.98 0.00 3.61 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 2.12 2.11 0.00 26 P 0.00 4.31 0.00 2.16 2.10 0.00 3.63 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 2.11 2.14 0.00 27 Q 8.20 3.97 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 28 R 7.31 4.33 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 29 A 8.22 4.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 4.11 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 0.80 0.00 0.00 0.99 0.00 0.00 31 E 8.03 3.66 0.00 1.87 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 1.88 1.48 0.00 32 E 8.37 4.82 0.00 1.93 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 2.23 2.25 0.00 33 F 9.47 4.96 0.00 2.23 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.67 5.05 0.00 2.75 2.59 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 35 D 8.69 4.63 0.00 2.67 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 36 G 9.80 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 37 E 8.54 4.15 0.00 2.07 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 2.36 2.51 0.00 38 K 8.55 4.72 0.00 1.62 1.71 0.00 1.56 0.00 0.00 1.90 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 39 V 8.21 4.74 1.59 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 0.17 0.00 0.00 0.59 0.00 0.00 40 H 9.28 5.10 0.00 3.05 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.69 5.10 0.00 1.43 0.95 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.83 4.96 0.00 1.96 1.72 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.51 7.81 43 I 8.60 3.81 1.70 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.20 0.72 0.00 0.00 44 D 8.87 4.69 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.22 0.00 2.32 2.27 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 46 S 8.47 4.14 0.00 3.95 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 47 V 7.78 3.98 2.21 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 0.82 0.00 0.00 0.96 0.00 0.00 48 P 0.00 4.28 0.00 2.09 2.09 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 49 N 7.90 4.65 0.00 2.73 2.79 0.00 0.00 6.87 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 50 G 8.43 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 51 R 7.80 4.18 0.00 1.60 1.39 0.00 3.11 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.57 0.00 52 F 6.78 4.99 0.00 3.34 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 53 H 9.24 4.23 0.00 3.23 2.88 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 3.88 0.00 2.10 2.02 0.00 3.16 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 55 R 8.09 3.79 0.00 1.62 1.37 0.00 2.86 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 56 F 8.87 5.02 0.00 3.29 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 57 D 8.25 4.79 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 9.10 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.75 4.18 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 60 T 8.38 4.78 4.23 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 1.18 0.00 0.00 61 G 8.19 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.11 4.86 4.18 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 1.18 0.00 0.00 63 V 8.56 3.77 2.22 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 1.05 0.00 0.00 0.61 0.00 0.00 64 E 8.71 4.79 0.00 1.86 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 2.47 2.66 0.00 65 G 9.32 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 66 K 7.93 4.86 0.00 1.87 1.53 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 1.31 7.81 67 Q 8.50 4.38 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.69 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 68 G 8.40 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 0.00 0.00 0.00 69 D 8.67 4.31 0.00 2.66 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 70 A 7.51 4.41 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 71 Y 9.30 4.81 0.00 3.05 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 72 K 8.90 4.83 0.00 1.83 1.76 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 73 V 8.75 4.51 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 0.80 0.00 0.00 0.79 0.00 0.00 74 D 8.58 5.34 0.00 2.70 2.48 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 75 I 8.57 4.64 1.83 0.00 0.00 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 0.75 0.87 0.68 0.00 0.00 76 V 8.02 4.62 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 0.81 0.00 0.00 0.89 0.00 0.00 77 D 9.00 4.56 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 79 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.17 4.44 0.00 1.80 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.38 7.81 81 E 8.55 4.70 0.00 1.87 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 2.28 2.32 0.00 82 K 9.21 4.67 0.00 1.36 1.50 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.53 7.81 83 T 8.42 4.84 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 1.19 0.00 0.00 84 I 8.97 4.42 1.78 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.42 0.89 0.00 0.00 85 I 8.48 4.85 1.94 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 1.43 0.81 0.96 0.00 0.00 86 V 9.01 5.00 2.30 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 0.87 0.00 0.00 1.29 0.00 0.00 87 T 8.64 4.89 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 1.30 0.00 0.00 88 A 9.31 4.22 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.24 4.11 1.17 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 90 H 8.35 5.16 0.00 3.46 3.62 0.00 5.57 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 91 L 8.12 5.69 0.00 1.33 1.01 0.54 0.74 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 92 R 7.96 4.89 0.00 1.76 1.84 0.00 3.38 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 93 R 8.84 4.52 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 94 Q 8.64 3.93 0.00 1.76 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 5.72 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 95 E 8.83 4.14 0.00 2.17 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 2.18 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.