NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2929 8.0433 122.7544 54.8591 44.5503 176.0401 4 I 4.5220 7.7158 120.4652 59.2922 38.1278 169.6374 5 V 4.3793 9.7053 129.6305 61.0693 34.4688 173.6636 6 N 5.1782 8.9714 125.6903 52.1129 40.4114 174.1012 7 V 4.6253 8.5622 124.5019 61.4217 33.6947 174.2686 8 I 4.8791 9.1017 129.9648 59.6445 39.8642 174.4137 9 N 5.4021 9.4884 125.3568 51.7456 40.8793 175.4389 10 G 4.2581 9.2102 114.3048 43.9998 0.0000 170.8486 11 P 4.4252 0.0000 0.0000 64.4363 31.9433 176.7513 12 N 4.5419 9.1140 117.6033 53.7821 37.5751 176.0698 13 L 4.2980 7.5348 116.8034 56.2329 41.9660 178.1799 14 G 3.6429 7.9939 106.5567 47.2640 0.0000 174.3160 15 R 4.4601 7.7759 118.8719 55.7415 30.5843 176.1017 16 L 4.0715 7.6498 119.7251 56.4672 42.2630 176.5891 17 G 4.2048 9.3568 118.8570 46.8870 0.0000 176.0763 18 R 4.2649 7.1373 116.5726 55.9492 29.9353 178.4560 *25 G 3.8204 8.0033 107.1053 46.1957 0.0000 174.1782 26 G 4.0382 8.5243 108.8289 45.8652 0.0000 173.6154 27 T 4.3384 7.5349 117.5561 62.8343 68.8257 175.7803 28 T 4.9806 8.3248 118.8081 60.7716 71.2243 175.2707 29 H 4.0470 8.6434 120.5766 59.2514 29.8555 177.1099 30 D 4.3168 8.0541 120.5119 57.4485 40.6582 178.4172 31 E 3.9577 8.0580 118.6828 59.1124 29.4088 179.1508 32 L 3.7885 8.0522 120.6721 57.9921 42.0820 179.1249 33 V 3.3994 7.7937 118.0992 65.8679 31.4030 177.7790 34 A 3.9312 7.8633 120.3452 55.1916 18.1878 179.5490 35 L 3.9023 8.1135 117.7393 57.9714 41.6190 179.9049 36 I 3.6606 7.7438 119.5614 64.5539 37.1859 178.3847 37 E 3.9387 8.2672 119.4340 59.2475 29.0832 179.5355 38 R 3.8514 8.1347 118.8744 59.4590 30.1667 178.2687 39 E 3.9364 8.4313 119.0893 59.1483 29.5366 178.5620 40 A 4.0007 8.4479 121.1348 55.0705 18.3263 179.4759 41 A 3.8346 7.9217 118.8609 55.3624 18.2034 179.7645 42 E 4.0637 7.9083 116.1595 58.8710 29.6452 178.5463 43 L 4.4346 7.6720 116.2339 53.9399 42.3356 176.5608 44 G 3.7985 7.8100 105.4729 46.7516 0.0000 173.2910 45 L 4.9991 8.4164 117.6874 52.3351 46.0811 176.2637 46 K 4.5574 9.1642 122.0962 54.6960 34.3619 174.5323 47 A 5.1235 8.6038 129.1555 50.2729 21.1405 175.7664 48 V 3.9787 8.4769 123.9498 61.6388 32.7076 174.5550 49 V 4.7085 8.0898 128.4094 61.4741 32.9351 175.2170 50 R 4.5524 8.7639 125.9023 54.4140 34.4450 173.7947 51 Q 5.3010 8.6663 123.1311 54.6781 31.9191 174.2550 52 S 4.7926 8.9824 118.8233 57.5616 65.5193 173.7475 53 D 4.5862 8.8736 124.0431 54.8641 41.7274 176.7946 54 S 4.5189 7.7730 115.5543 56.6027 63.6647 173.7505 55 E 3.8579 8.7636 129.6621 59.4467 29.4574 178.4790 56 A 3.8853 7.8730 120.1618 55.2375 18.4543 179.2223 57 Q 3.4374 7.6014 117.9729 59.0551 28.9887 178.4775 58 L 4.0022 7.5011 119.6825 57.6440 41.5638 179.4102 59 L 3.8377 7.9501 119.0693 57.7280 41.5410 178.9225 60 D 4.3530 7.8474 117.8661 57.3750 41.1302 178.5383 61 W 4.5155 7.9188 119.2545 59.7721 28.9219 178.6449 62 I 3.7827 8.0793 119.9351 64.6902 36.5036 177.9957 63 H 4.2449 8.2514 117.1745 59.1526 28.5635 177.7872 64 Q 4.0301 8.2523 119.3896 59.0291 28.6131 178.7887 65 A 4.0238 8.2169 121.4974 55.0459 18.2629 179.5351 66 A 3.9790 8.3702 119.5369 55.5962 18.2996 179.7145 67 D 4.3331 8.3101 115.9525 56.6298 40.9786 177.8225 68 A 4.3874 7.9845 118.5694 50.7089 19.7726 176.3735 69 A 3.7404 7.4193 119.3839 53.1175 16.8734 176.8651 70 E 4.7581 7.9236 118.2931 55.0449 31.7897 175.7305 71 P 4.6655 0.0000 0.0000 62.7240 33.0984 175.2787 72 V 4.8360 8.5511 122.0233 61.2433 34.8873 174.1803 73 I 4.8243 9.3572 129.5295 59.6920 39.2082 174.2558 74 L 5.1137 9.0634 130.1266 53.2047 44.9281 174.5455 75 N 5.2622 9.4372 125.2444 51.0774 40.2034 174.4371 76 A 4.3362 8.6909 128.5833 51.7118 20.5232 178.3455 77 G 3.8856 7.8542 105.9005 46.4414 0.0000 178.3831 78 G 3.7885 8.6967 113.4547 47.7452 0.0000 174.7999 79 L 4.4302 7.7077 119.0455 56.6136 42.1820 179.2814 80 T 3.8760 7.8278 116.1087 66.6917 68.3768 175.4430 81 H 4.9460 7.6734 114.9659 56.3594 29.4862 175.8437 82 T 4.5763 7.8506 108.0620 61.2947 70.6675 173.1597 83 S 4.6074 8.2471 117.6013 56.6648 62.6304 174.5181 84 V 3.4106 7.9568 128.1820 65.2940 31.3427 177.4163 85 A 3.9262 7.8534 120.3267 55.2594 18.2410 179.2585 86 L 3.9269 8.0535 118.6969 57.9856 42.0906 179.1425 87 R 3.9091 7.5348 117.4961 59.6453 29.8633 178.3465 88 D 4.3827 8.1899 117.4046 57.0729 41.1584 178.4324 89 A 4.1806 8.0147 121.4393 55.4927 18.3529 179.5784 90 C 4.2154 8.2779 114.6877 62.4941 27.8904 176.1167 91 A 4.0776 7.7337 121.9098 54.9287 17.9544 178.6286 92 E 4.0573 7.9551 116.0536 58.9224 29.8252 177.8772 93 L 4.0943 7.5141 119.6873 55.0821 41.9708 177.1366 94 S 4.4016 8.6637 117.5139 59.7570 64.1420 174.5307 95 A 4.4237 7.6890 121.2330 50.3869 19.5207 175.6782 96 P 4.4134 0.0000 0.0000 63.0348 33.0077 175.2451 97 L 5.1357 8.9616 124.2096 53.4501 45.2449 175.0164 98 I 4.7511 8.7575 127.8843 59.3943 39.1401 174.5559 99 E 4.5894 8.9534 129.6678 55.8415 30.7910 175.4945 100 V 4.6672 8.8297 126.5238 61.3378 35.0852 173.7512 101 H 4.8746 9.1027 124.1689 54.2604 32.1963 174.5298 102 I 3.8310 8.6408 124.2506 64.3779 37.9011 176.8224 103 S 4.5825 7.9189 114.3510 57.0205 64.4529 173.6057 104 N 4.4808 8.4334 120.2603 53.0936 37.7199 175.9805 105 V 3.6461 8.1114 126.1417 64.0901 31.7146 176.9778 106 H 4.3937 7.9735 115.8054 56.6513 28.9284 175.5461 107 A 4.5431 7.7128 121.1108 51.9479 19.6882 177.7854 108 R 4.7151 7.1938 116.1243 55.5802 31.4914 175.7607 109 E 4.0345 8.1548 121.4080 57.0500 30.3620 177.7776 110 E 3.9469 8.5519 120.9975 59.2953 29.7672 179.5519 111 F 4.3683 7.7225 112.6168 59.2874 37.8992 176.4671 112 R 3.5377 6.9916 119.8172 57.9685 30.0120 177.9258 113 R 4.0555 7.5148 115.4590 56.7215 30.2300 175.5027 114 H 4.8420 7.5140 118.2497 54.0265 31.8363 173.0611 115 S 4.7126 7.9633 119.9402 56.5971 64.6787 173.4482 116 Y 4.3034 8.6945 125.4663 60.0482 38.3722 177.3254 117 L 4.3570 7.8797 119.6193 56.7691 40.7253 178.6168 118 S 4.2620 7.9909 116.7246 60.6823 62.6433 175.2079 119 P 4.5495 0.0000 0.0000 64.6385 31.1722 177.0861 120 I 4.1931 7.0280 108.4006 60.6070 38.5369 175.8972 121 A 4.2976 7.5679 124.0734 52.1872 19.0812 177.7983 122 T 4.0623 8.7560 118.0133 66.4623 68.9942 174.9105 123 G 4.1205 7.6433 105.9309 45.0003 0.0000 171.4472 124 V 4.9072 8.0493 118.7355 61.0485 34.5749 174.2944 125 I 4.4653 8.9349 128.9438 59.5090 38.9129 174.6880 126 V 4.5575 8.0892 126.5863 61.6212 34.6336 175.9132 127 G 3.9557 8.6722 114.7629 46.5462 0.0000 173.6598 128 L 4.5197 7.4223 117.6748 53.6202 42.5361 178.9352 129 G 3.8165 7.8339 108.0902 46.1671 0.0000 175.4459 130 I 3.9685 8.2751 117.2442 63.9704 38.0070 178.4020 131 Q 4.2979 8.2368 119.9243 58.2608 28.9081 177.6333 132 G 3.7330 7.9086 106.9097 48.2643 0.0000 175.0413 133 Y 4.0743 7.5997 117.4205 61.0419 38.0650 178.9963 134 L 4.0847 7.9618 119.2190 57.7296 41.8704 179.4414 135 L 4.0727 8.5075 119.3674 57.6051 41.3812 179.3500 136 A 4.0898 8.0701 120.9601 54.9891 18.2650 179.6689 137 L 3.9995 8.2317 117.7904 57.9991 41.4664 179.7200 138 R 3.9379 7.8230 117.5691 59.3839 30.2112 177.5744 139 Y 4.2240 8.0431 119.2670 60.8196 38.8515 178.2203 140 L 3.9307 7.9170 119.7351 57.5473 41.5115 179.2241 141 A 4.0696 7.9076 119.7627 54.2612 18.3603 178.3400 142 E 4.1627 7.5979 115.8749 57.1385 30.0212 175.6596 143 H 4.2951 7.5171 119.8381 56.1194 29.0447 174.1008 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 3 L 8.04 4.29 0.00 1.79 1.72 0.91 0.68 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 4 I 7.72 4.52 1.97 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 1.22 0.80 0.89 0.00 0.00 5 V 9.71 4.38 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 1.00 0.00 0.00 0.94 0.00 0.00 6 N 8.97 5.18 0.00 2.79 2.67 0.00 0.00 6.12 7.19 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 7 V 8.56 4.63 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 1.12 0.00 0.00 0.96 0.00 0.00 8 I 9.10 4.88 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 1.17 0.00 0.00 9 N 9.49 5.40 0.00 2.68 2.80 0.00 0.00 6.43 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 10 G 9.21 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 0.00 0.00 0.00 0.00 11 P 0.00 4.43 0.00 2.08 2.03 0.00 4.02 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 2.05 2.28 0.00 12 N 9.11 4.54 0.00 3.05 3.03 0.00 0.00 6.90 6.49 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 13 L 7.53 4.30 0.00 1.84 1.81 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.99 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 15 R 7.78 4.46 0.00 2.04 1.95 0.00 3.31 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 16 L 7.65 4.07 0.00 1.74 1.84 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.36 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 18 R 7.14 4.26 0.00 1.85 1.81 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 *25 G 8.00 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 0.00 0.00 0.00 26 G 8.52 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 27 T 7.53 4.34 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 1.23 0.00 0.00 28 T 8.32 4.98 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 1.22 0.00 0.00 29 H 8.64 4.05 0.00 3.20 3.33 0.00 5.68 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 30 D 8.05 4.32 0.00 2.72 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 31 E 8.06 3.96 0.00 2.20 1.97 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 2.31 2.30 0.00 32 L 8.05 3.79 0.00 1.66 1.62 0.41 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.79 3.40 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 0.91 0.00 0.00 0.86 0.00 0.00 34 A 7.86 3.93 1.35 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 35 L 8.11 3.90 0.00 1.78 1.70 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.74 3.66 1.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.87 0.00 0.00 37 E 8.27 3.94 0.00 2.16 1.97 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 2.29 2.35 0.00 38 R 8.13 3.85 0.00 1.99 2.09 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.43 3.94 0.00 2.24 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 2.33 2.38 0.00 40 A 8.45 4.00 1.39 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 0.00 0.00 0.00 41 A 7.92 3.83 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 42 E 7.91 4.06 0.00 2.08 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 2.34 2.47 0.00 43 L 7.67 4.43 0.00 1.59 1.70 0.94 1.35 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 44 G 7.81 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 45 L 8.42 5.00 0.00 1.45 1.63 0.93 0.83 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 46 K 9.16 4.56 0.00 1.75 1.63 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 A 8.60 5.12 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 48 V 8.48 3.98 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 0.75 0.00 0.00 0.87 0.00 0.00 49 V 8.09 4.71 1.97 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 0.71 0.00 0.00 0.83 0.00 0.00 50 R 8.76 4.55 0.00 0.70 0.66 0.00 2.21 0.00 0.00 2.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.11 0.00 51 Q 8.67 5.30 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.08 0.00 52 S 8.98 4.79 0.00 3.97 3.62 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 53 D 8.87 4.59 0.00 2.70 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 54 S 7.77 4.52 0.00 3.83 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 55 E 8.76 3.86 0.00 2.04 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 2.34 2.36 0.00 56 A 7.87 3.89 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 57 Q 7.60 3.44 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 58 L 7.50 4.00 0.00 1.88 1.75 0.96 0.68 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 59 L 7.95 3.84 0.00 1.77 1.60 0.89 0.81 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 60 D 7.85 4.35 0.00 2.68 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 61 W 7.92 4.52 0.00 3.65 3.05 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 62 I 8.08 3.78 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.99 0.96 0.00 0.00 63 H 8.25 4.24 0.00 3.38 3.36 0.00 5.64 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 64 Q 8.25 4.03 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 65 A 8.22 4.02 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 66 A 8.37 3.98 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 67 D 8.31 4.33 0.00 2.83 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 68 A 7.98 4.39 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 69 A 7.42 3.74 1.33 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 70 E 7.92 4.76 0.00 1.88 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 2.27 2.48 0.00 71 P 0.00 4.67 0.00 2.10 2.00 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 72 V 8.55 4.84 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 1.10 0.00 0.00 0.96 0.00 0.00 73 I 9.36 4.82 1.96 0.00 0.00 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 1.15 0.55 0.97 0.00 0.00 74 L 9.06 5.11 0.00 1.72 1.48 1.06 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.44 5.26 0.00 2.75 3.00 0.00 0.00 6.94 7.74 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 76 A 8.69 4.34 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 77 G 7.85 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 0.00 0.00 0.00 78 G 8.70 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 79 L 7.71 4.43 0.00 1.84 1.74 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.83 3.88 4.00 0.00 0.00 0.00 0.00 0.00 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 81 H 7.67 4.95 0.00 3.33 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.85 4.58 4.30 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 1.35 0.00 0.00 83 S 8.25 4.61 0.00 3.86 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 84 V 7.96 3.41 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 0.95 0.00 0.00 0.24 0.00 0.00 85 A 7.85 3.93 1.28 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 86 L 8.05 3.93 0.00 1.76 1.67 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.53 3.91 0.00 2.01 2.07 0.00 3.40 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 88 D 8.19 4.38 0.00 2.80 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 89 A 8.01 4.18 1.35 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 90 C 8.28 4.22 0.00 3.20 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 91 A 7.73 4.08 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 92 E 7.96 4.06 0.00 2.29 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 2.36 2.31 0.00 93 L 7.51 4.09 0.00 1.66 1.65 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.66 4.40 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.42 1.28 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 96 P 0.00 4.41 0.00 2.18 2.12 0.00 3.57 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 2.16 2.15 0.00 97 L 8.96 5.14 0.00 1.73 1.48 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.76 4.75 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.60 0.80 0.00 0.00 99 E 8.95 4.59 0.00 2.03 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 0.00 2.25 2.21 0.00 100 V 8.83 4.67 1.64 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 0.11 0.00 0.00 0.68 0.00 0.00 101 H 9.10 4.87 0.00 2.99 3.10 0.00 5.67 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 0.00 102 I 8.64 3.83 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.97 0.00 0.00 103 S 7.92 4.58 0.00 3.97 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 0.00 104 N 8.43 4.48 0.00 2.74 2.76 0.00 0.00 6.67 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 0.00 105 V 8.11 3.65 1.87 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 0.44 0.00 0.00 0.87 0.00 0.00 106 H 7.97 4.39 0.00 3.24 3.33 0.00 5.64 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 0.00 107 A 7.71 4.54 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 0.00 108 R 7.19 4.72 0.00 1.61 1.61 0.00 3.17 0.00 0.00 3.14 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 109 E 8.15 4.03 0.00 1.16 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 2.41 2.29 0.00 110 E 8.55 3.95 0.00 1.99 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 2.23 0.00 111 F 7.72 4.37 0.00 3.05 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 0.00 112 R 6.99 3.54 0.00 1.66 1.74 0.00 2.87 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.00 113 R 7.51 4.06 0.00 1.91 1.97 0.00 3.07 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 114 H 7.51 4.84 0.00 2.92 3.11 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.96 4.71 0.00 3.78 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 0.00 116 Y 8.69 4.30 0.00 3.16 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 0.00 117 L 7.88 4.36 0.00 1.84 1.72 0.94 0.82 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 0.00 118 S 7.99 4.26 0.00 3.83 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 0.00 119 P 0.00 4.55 0.00 2.05 2.13 0.00 3.79 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 2.05 2.14 0.00 120 I 7.03 4.19 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.94 0.00 0.00 121 A 7.57 4.30 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 0.00 122 T 8.76 4.06 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 1.22 0.00 0.00 123 G 7.64 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 0.00 124 V 8.05 4.91 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 0.86 0.00 0.00 0.90 0.00 0.00 125 I 8.93 4.47 1.76 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 1.04 0.49 0.85 0.00 0.00 126 V 8.09 4.56 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 1.04 0.00 0.00 0.93 0.00 0.00 127 G 8.67 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 0.00 128 L 7.42 4.52 0.00 1.82 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.83 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 0.00 0.00 0.00 130 I 8.28 3.97 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.95 0.00 0.00 131 Q 8.24 4.30 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.91 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 0.00 0.00 0.00 133 Y 7.60 4.07 0.00 3.24 2.99 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 0.00 134 L 7.96 4.08 0.00 1.81 1.75 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.51 4.07 0.00 1.82 1.73 0.93 0.89 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 0.00 136 A 8.07 4.09 1.39 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 0.00 0.00 0.00 137 L 8.23 4.00 0.00 1.96 1.76 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.82 3.94 0.00 2.00 2.17 0.00 3.30 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 139 Y 8.04 4.22 0.00 3.16 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 0.00 140 L 7.92 3.93 0.00 1.87 1.71 0.98 1.08 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 0.00 141 A 7.91 4.07 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 0.00 142 E 7.60 4.16 0.00 2.03 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 2.31 0.00 143 H 7.52 4.30 0.00 2.83 3.05 0.00 5.93 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 * Residues marked with a * may have inaccurate shift predictions.