NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 G 3.9310 8.3549 109.7330 44.7041 0.0000 174.0616 -4 I 3.6560 7.6064 121.2201 60.1373 37.7015 173.1842 -3 D 4.8116 8.2441 123.8160 51.8354 43.7104 174.0153 -2 P 4.2858 0.0000 0.0000 63.2624 31.9583 176.5730 -1 F 5.0741 9.0877 118.4423 57.3369 39.5246 175.0379 0 T 4.8883 7.3639 112.9231 60.0473 70.7850 172.4558 -3 L 4.5116 8.0641 125.2160 52.7354 45.0104 175.3153 -2 H 4.5958 8.7050 121.4661 54.9624 28.8583 173.3730 -1 I 4.6241 8.7877 118.0423 60.7369 38.7246 175.6379 0 E 4.8883 7.6339 119.5231 54.8473 30.8850 174.3558 6 F 5.3875 9.2657 125.6480 55.9230 43.1377 174.3375 7 I 4.8269 8.8549 122.2915 60.0028 39.3707 176.6843 8 T 3.2976 8.0534 118.5557 59.9825 70.3288 174.8878 9 D 4.3864 8.2168 119.7214 56.0281 39.5914 176.8381 10 L 4.2917 7.7964 117.9546 54.2116 41.6616 177.2794 11 G 3.7883 7.8244 106.0786 45.4538 0.0000 174.1868 12 A 4.1008 7.6994 121.9428 51.4867 19.8825 177.1706 13 K 4.6220 8.3852 121.9133 55.2376 33.1413 176.2244 14 V 4.3902 8.5170 127.8585 61.6160 34.7706 173.8891 15 T 5.3024 8.6870 124.7428 62.2731 69.9601 174.1160 16 V 4.4216 8.3486 126.1854 61.1158 33.2616 174.9473 17 D 4.6991 8.8228 127.8357 54.2766 41.7486 175.7891 18 V 4.3577 8.0345 121.4873 60.9715 33.6171 174.8199 19 E 4.0929 9.1721 129.1219 59.1214 29.8787 176.5046 20 S 4.9884 7.6908 109.7653 55.9340 65.6772 175.1459 21 A 3.9846 8.6614 123.1400 55.8268 17.6538 179.5851 22 D 4.4586 7.7838 115.4598 56.2617 41.1629 177.8801 23 K 4.4363 8.2561 118.3433 55.7906 32.8557 177.5594 24 L 3.9450 7.7039 122.1192 58.4698 42.0484 178.7139 25 L 4.0236 7.9674 118.0331 58.0177 41.6967 178.9726 26 D 4.3827 8.1722 118.1915 57.5823 40.6349 179.1418 27 V 3.7267 7.6427 118.0280 66.1780 31.5898 178.1245 28 Q 4.3634 8.3992 117.7371 58.9115 28.3628 179.3113 29 R 3.8802 7.9172 118.8564 59.1231 29.9867 178.3793 30 Q 3.6855 7.5303 117.5476 59.6192 29.2323 178.0055 31 Y 3.5103 7.5453 116.8402 59.5495 37.8247 178.1698 32 G 3.7503 7.9261 109.4225 48.4612 0.0000 176.5740 33 R 4.0115 8.0303 121.9886 60.2932 29.3989 179.6618 34 L 4.6089 7.2263 114.6414 54.8900 41.9924 177.3890 35 G 4.0400 8.0768 107.5959 45.1327 0.0000 173.7910 36 W 4.9921 7.9717 118.6787 56.4978 30.1950 175.5527 37 T 5.1242 8.9433 111.9208 60.1527 72.2813 172.6741 38 S 4.7353 8.5100 116.1603 57.9535 65.0091 174.8369 39 G 3.8698 8.9343 116.8303 44.8165 0.0000 171.6686 40 E 4.7144 8.2666 116.8442 54.0222 32.0540 176.0653 41 V 3.1298 8.1073 121.2998 61.8617 32.1148 174.4268 42 P 4.2397 0.0000 0.0000 61.8586 31.8970 175.9812 43 V 3.5547 8.1579 121.5422 64.6515 31.6079 176.3073 44 G 3.7524 9.1118 114.4134 45.5511 0.0000 174.3147 45 G 3.8979 8.4393 104.0514 44.9779 0.0000 173.3616 46 Y 4.1559 7.7255 117.2183 58.5360 39.2727 175.6930 47 Q 4.7941 8.1096 120.1830 54.2085 31.4404 174.8637 48 F 5.2010 8.4038 120.8437 54.6776 44.1089 172.8764 49 P 5.0567 0.0000 0.0000 61.8963 31.8802 177.7710 50 L 4.0907 8.5406 123.6695 58.3229 42.7090 178.2446 51 E 4.1415 8.3353 117.8003 59.4778 29.8027 178.5454 52 N 4.4361 7.8564 115.2826 55.6680 38.2975 176.7991 53 E 4.0633 7.8184 120.3319 58.8958 29.8688 176.7601 54 P 4.5744 0.0000 0.0000 64.2824 31.9670 176.0494 55 D 4.9427 7.7826 117.3557 52.5858 39.8718 175.1559 56 F 4.1436 8.2277 121.8502 58.9616 39.9843 174.0253 57 D 4.2975 7.4051 127.8251 53.0683 40.2419 176.7908 58 W 4.5267 8.5735 128.1909 59.1887 29.1307 178.4110 59 S 4.2718 8.3633 114.3690 61.0287 62.2255 176.0831 60 L 4.0649 7.3085 122.5140 56.8234 41.2475 177.8064 61 I 4.6007 7.4368 110.0061 60.4043 38.0270 175.3357 62 G 3.9516 8.5843 106.9340 47.3272 0.0000 173.7798 63 A 5.3432 8.3374 119.9589 49.7410 22.2011 176.5822 64 R 4.8490 8.6585 114.7561 54.0291 33.4619 174.9453 65 K 4.4187 8.6366 119.0921 56.5321 33.0562 176.7446 66 W 4.8132 8.3080 130.3561 56.9505 33.5738 173.7192 67 T 4.0603 8.1190 123.2198 62.0445 68.6233 174.6949 68 N 3.6421 7.0875 124.7064 50.6570 39.2693 173.0448 69 P 4.2569 0.0000 0.0000 66.4342 31.4235 178.0624 70 E 4.1813 7.8471 112.0857 55.4326 30.8975 178.9544 71 G 3.8454 8.2223 109.7978 44.7827 0.0000 173.2059 72 E 4.4733 7.8845 119.0764 54.4442 31.7987 174.7121 73 E 4.4795 8.3397 125.3579 55.4389 31.4023 175.7311 *75 I 3.9646 8.0462 114.4172 60.9139 39.4933 174.0691 76 L 5.3831 9.0788 125.8383 53.6260 43.8609 175.3974 77 H 5.1060 9.4841 122.7932 56.2548 33.0303 173.4518 78 R 3.7509 9.7717 125.7375 57.3596 27.6788 177.0451 79 G 3.8452 8.5033 102.6005 45.8703 0.0000 173.4379 80 H 4.9330 8.7459 116.3867 53.5456 31.6263 172.6930 81 A 5.2238 8.3496 124.4953 50.8040 20.7027 175.9590 82 Y 4.7823 8.7547 122.4729 56.7897 41.4200 176.0930 83 R 4.7241 8.5096 122.4466 55.1343 32.5654 174.3194 84 R 4.7869 8.4909 122.3866 55.9739 31.1335 175.8368 85 R 4.7687 8.8925 121.6123 54.9597 33.0871 174.0087 86 E 5.1502 8.8092 120.9499 55.1019 32.0694 175.2695 87 L 4.7347 8.7835 122.6998 54.0831 45.6171 177.3438 88 E 4.0991 8.3637 117.6771 55.2095 31.3054 175.5717 *90 V 4.0390 8.0898 124.7836 62.0490 31.4500 174.0482 91 D 5.1489 8.6242 126.0189 52.8420 46.0571 174.6655 92 S 5.0505 8.7884 115.6449 56.9621 66.6133 173.4902 93 R 5.0833 9.1697 123.0536 54.7663 33.8401 173.5854 94 K 5.7940 9.1869 125.5182 53.7777 34.9471 175.8279 *96 K 4.3404 8.5802 125.5057 57.2144 34.4676 175.0545 97 L 4.6730 8.1263 121.6512 53.5424 41.8724 173.5924 98 P 4.4415 0.0000 0.0000 62.3941 32.1788 175.2379 99 A 4.5124 7.8397 120.7230 51.2564 21.8472 175.7898 100 A 3.9494 8.8049 122.2314 55.8879 18.3746 179.0907 101 V 3.9998 7.6337 116.1903 60.7188 30.7385 177.8109 102 K 4.5304 7.8798 127.5131 54.2490 35.0623 173.3106 *103 Y 4.6781 8.0872 114.0410 56.9800 39.1039 175.6526 104 S 4.3467 8.0746 112.6623 60.0594 65.1091 175.1024 105 R 4.1022 8.6754 120.3146 55.6226 27.7554 175.1340 106 G 3.7989 8.5641 101.6099 48.8159 0.0000 173.1530 107 A 4.8973 7.7882 121.3020 50.1553 22.6211 175.2706 108 K 4.6799 8.4752 121.3645 53.8037 33.8370 172.3586 109 N 5.2599 8.6360 121.5513 51.3091 40.6906 175.1178 110 T 3.9908 8.6216 120.6952 66.0283 69.6552 174.0920 111 D 4.9699 7.7760 117.9267 52.8877 42.0940 172.5030 112 P 5.3741 0.0000 0.0000 60.9909 34.1600 173.9368 113 E 4.1834 8.9813 124.1893 56.8136 29.1657 175.9486 114 H 4.7464 9.0223 125.5333 56.1796 30.7421 175.5712 115 V 4.2795 7.4762 114.6546 61.1552 35.5492 174.2596 116 R 4.3730 8.3579 116.1810 56.5295 31.2466 174.8135 117 E 4.5589 8.5248 111.6614 55.7182 30.9678 172.1279 118 K 3.8226 8.7468 125.1784 55.8719 32.5568 175.6680 119 A 4.5095 8.3852 129.4793 50.4719 20.5622 177.0242 120 D 4.8221 8.1589 125.2991 54.1806 40.8665 180.5811 121 G 3.7033 8.7165 110.7169 47.8747 0.0000 175.0413 122 E 3.8359 8.1221 117.4348 59.3544 29.5486 178.1234 123 F 4.5900 8.1937 119.1171 58.6436 39.5002 175.9265 124 E 4.8130 7.8176 121.3004 55.9378 31.1023 182.1796 *125 Y 3.9170 8.2310 120.3844 58.9047 37.2937 177.9424 126 V 3.7882 7.9295 117.7582 60.2453 31.0238 176.5396 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 -5 G 8.35 3.93 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 0.00 0.00 0.00 -4 I 7.61 3.66 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.85 0.00 0.00 -3 D 8.24 4.81 0.00 2.58 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 -2 P 0.00 4.29 0.00 1.26 1.75 0.00 3.04 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.39 0.00 -1 F 9.09 5.07 0.00 3.06 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 0 T 7.36 4.89 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 1.32 0.00 0.00 -3 L 8.06 4.51 0.00 1.48 1.47 0.92 0.96 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 -2 H 8.70 4.60 0.00 2.26 2.97 0.00 7.99 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 I 8.79 4.62 1.87 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 1.35 1.01 0.91 0.00 0.00 0 E 7.63 4.89 0.00 2.05 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 2.24 1.85 0.00 6 F 9.27 5.39 0.00 3.16 2.97 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 7 I 8.85 4.83 1.90 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 1.32 1.43 0.86 0.00 0.00 8 T 8.05 3.30 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 -0.31 0.00 0.00 9 D 8.22 4.39 0.00 2.85 2.96 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 10 L 7.80 4.29 0.00 1.58 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.82 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 0.00 0.00 0.00 12 A 7.70 4.10 1.11 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 13 K 8.39 4.62 0.00 1.73 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 V 8.52 4.39 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 1.10 0.00 0.00 0.79 0.00 0.00 15 T 8.69 5.30 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 1.29 0.00 0.00 16 V 8.35 4.42 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 0.89 0.00 0.00 0.66 0.00 0.00 17 D 8.82 4.70 0.00 2.66 2.61 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 18 V 8.03 4.36 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 0.84 0.00 0.00 1.02 0.00 0.00 19 E 9.17 4.09 0.00 1.98 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 2.31 2.34 0.00 20 S 7.69 4.99 0.00 4.07 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 21 A 8.66 3.98 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 22 D 7.78 4.46 0.00 2.58 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 23 K 8.26 4.44 0.00 1.73 1.82 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.56 7.81 24 L 7.70 3.95 0.00 1.80 1.77 0.94 0.63 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 25 L 7.97 4.02 0.00 1.73 1.71 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.17 4.38 0.00 2.88 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 27 V 7.64 3.73 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 1.33 0.00 0.00 1.06 0.00 0.00 28 Q 8.40 4.36 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 29 R 7.92 3.88 0.00 2.00 1.91 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 30 Q 7.53 3.69 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 1.53 2.04 0.00 31 Y 7.55 3.51 0.00 2.05 1.65 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 32 G 7.93 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 33 R 8.03 4.01 0.00 1.91 1.87 0.00 3.26 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 34 L 7.23 4.61 0.00 1.23 1.60 0.35 1.21 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 35 G 8.08 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 36 W 7.97 4.99 0.00 3.00 3.02 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 37 T 8.94 5.12 4.45 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 1.35 0.00 0.00 38 S 8.51 4.74 0.00 3.40 3.67 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 39 G 8.93 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 0.00 0.00 0.00 40 E 8.27 4.71 0.00 1.93 1.84 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 2.22 2.20 0.00 41 V 8.11 3.13 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 0.46 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.24 0.00 2.02 1.83 0.00 2.56 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 43 V 8.16 3.55 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 0.74 0.00 0.00 0.89 0.00 0.00 44 G 9.11 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 45 G 8.44 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 46 Y 7.73 4.16 0.00 2.82 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 0.00 0.00 0.00 47 Q 8.11 4.79 0.00 1.76 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 48 F 8.40 5.20 0.00 2.79 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 49 P 0.00 5.06 0.00 2.31 2.06 0.00 4.31 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 50 L 8.54 4.09 0.00 1.79 1.71 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.34 4.14 0.00 2.10 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 2.42 2.36 0.00 52 N 7.86 4.44 0.00 3.16 2.96 0.00 0.00 6.66 7.54 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 53 E 7.82 4.06 0.00 2.12 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 2.37 2.54 0.00 54 P 0.00 4.57 0.00 2.09 2.13 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 55 D 7.78 4.94 0.00 2.89 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 56 F 8.23 4.14 0.00 2.71 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 0.00 0.00 0.00 0.00 57 D 7.41 4.30 0.00 2.42 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 0.00 0.00 0.00 58 W 8.57 4.53 0.00 3.52 3.43 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 59 S 8.36 4.27 0.00 4.18 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 0.00 60 L 7.31 4.06 0.00 1.39 1.69 0.66 0.81 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 61 I 7.44 4.60 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 0.47 0.00 0.00 62 G 8.58 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 63 A 8.34 5.34 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 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.66 4.85 0.00 1.92 2.04 0.00 2.80 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 65 K 8.64 4.42 0.00 1.71 1.80 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.35 1.43 7.81 66 W 8.31 4.81 0.00 3.13 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 67 T 8.12 4.06 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 1.00 0.00 0.00 68 N 7.09 3.64 0.00 2.38 1.75 0.00 0.00 7.07 8.95 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 69 P 0.00 4.26 0.00 2.04 2.16 0.00 3.58 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 2.07 2.15 0.00 70 E 7.85 4.18 0.00 1.99 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 0.00 2.23 1.87 0.00 71 G 8.22 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 0.00 0.00 0.00 72 E 7.88 4.47 0.00 1.95 1.67 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 2.15 2.19 0.00 73 E 8.34 4.48 0.00 1.85 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 2.22 2.23 0.00 *75 I 8.05 3.96 1.11 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.10 0.00 0.00 76 L 9.08 5.38 0.00 1.62 1.62 0.38 0.83 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 77 H 9.48 5.11 0.00 3.16 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.77 3.75 0.00 2.02 1.98 0.00 3.41 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 79 G 8.50 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 0.00 0.00 0.00 80 H 8.75 4.93 0.00 3.42 2.94 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.35 5.22 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 82 Y 8.75 4.78 0.00 2.78 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 83 R 8.51 4.72 0.00 1.48 1.78 0.00 3.24 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 84 R 8.49 4.79 0.00 1.84 1.87 0.00 3.25 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 85 R 8.89 4.77 0.00 1.91 1.97 0.00 2.83 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 86 E 8.81 5.15 0.00 1.88 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 2.26 2.34 0.00 87 L 8.78 4.73 0.00 1.72 1.51 0.95 0.89 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 88 E 8.36 4.10 0.00 1.94 1.71 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 2.13 1.86 0.00 *90 V 8.09 4.04 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 0.96 0.00 0.00 0.92 0.00 0.00 91 D 8.62 5.15 0.00 2.63 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 92 S 8.79 5.05 0.00 3.81 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 93 R 9.17 5.08 0.00 1.85 1.74 0.00 3.08 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 94 K 9.19 5.79 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.51 1.65 7.81 *96 K 8.58 4.34 0.00 1.53 1.37 0.00 1.12 0.00 0.00 0.86 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.29 7.81 97 L 8.13 4.67 0.00 1.45 1.48 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.44 0.00 2.02 2.00 0.00 3.63 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 2.11 2.07 0.00 99 A 7.84 4.51 1.19 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 0.00 100 A 8.80 3.95 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 0.00 101 V 7.63 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 0.75 0.00 0.00 0.93 0.00 0.00 102 K 7.88 4.53 0.00 1.71 1.54 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 0.95 7.81 *103 Y 8.09 4.68 0.00 2.26 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 0.00 0.00 0.00 104 S 8.07 4.35 0.00 3.75 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 0.00 105 R 8.68 4.10 0.00 2.03 1.99 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 106 G 8.56 3.80 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 0.00 0.00 0.00 107 A 7.79 4.90 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 0.00 108 K 8.48 4.68 0.00 1.55 1.58 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.26 7.81 109 N 8.64 5.26 0.00 2.58 2.78 0.00 0.00 7.08 7.54 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 0.00 110 T 8.62 3.99 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 1.11 0.00 0.00 111 D 7.78 4.97 0.00 2.84 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 0.00 112 P 0.00 5.37 0.00 2.22 2.21 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 113 E 8.98 4.18 0.00 2.05 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 0.00 2.36 2.42 0.00 114 H 9.02 4.75 0.00 3.15 3.29 0.00 5.83 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 0.00 115 V 7.48 4.28 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 0.60 0.00 0.00 0.93 0.00 0.00 116 R 8.36 4.37 0.00 1.90 2.06 0.00 3.22 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.00 117 E 8.52 4.56 0.00 1.97 1.76 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 2.17 1.85 0.00 118 K 8.75 3.82 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 119 A 8.39 4.51 0.94 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 0.00 120 D 8.16 4.82 0.00 2.64 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 0.00 122 E 8.12 3.84 0.00 1.97 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 1.68 1.55 0.00 123 F 8.19 4.59 0.00 3.14 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 0.00 124 E 7.82 4.81 0.00 1.76 1.72 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 2.23 2.13 0.00 *125 Y 8.23 3.92 0.00 2.12 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 0.00 0.00 0.00 0.00 126 V 7.93 3.79 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 0.73 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.