NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2929 8.2601 123.5875 51.9181 19.6586 177.9697 3 A 3.8259 9.1427 126.1987 55.0360 18.6165 173.1350 4 V 4.7614 8.4224 115.5696 61.4656 35.5751 173.4131 5 T 4.5973 9.3112 124.9837 61.9582 70.8078 172.7770 6 Q 5.2840 8.8122 128.4659 54.4688 30.7285 174.7045 7 S 4.9546 9.1400 120.3484 55.9591 66.9966 172.0886 8 P 4.8512 0.0000 0.0000 62.3574 32.4343 176.4571 9 R 4.4012 8.4554 117.2127 58.6800 31.1069 176.6113 10 N 5.5615 7.9622 113.7425 51.5259 42.8574 174.2166 11 K 4.5646 9.0294 122.3724 55.2282 36.3191 174.4807 12 V 4.8462 8.5033 126.6071 61.1374 33.6521 174.2256 13 A 4.9856 9.1243 128.5545 50.4001 23.1300 174.9160 14 V 4.5615 9.1232 112.2580 59.4653 34.6026 176.2048 15 T 4.0093 7.8981 119.0344 65.8975 68.5942 175.0187 16 G 4.0511 9.1663 114.8388 44.4642 0.0000 173.0977 17 E 4.1426 8.1838 121.9539 55.6588 31.0487 175.5186 18 K 4.8176 8.4435 127.4148 55.4579 33.2388 175.9057 19 V 4.3710 8.8529 127.7462 61.2884 34.4493 174.0163 20 T 4.8771 8.4668 124.0385 61.7827 70.7048 173.4175 21 L 4.6499 8.5037 127.1684 53.4142 43.8681 175.9171 22 S 5.4169 9.2100 118.9168 57.0359 66.6269 172.4073 23 C 5.3631 9.2376 122.0585 55.0819 42.8832 172.3091 24 Q 5.3993 9.5733 128.0294 54.2779 31.3732 174.0781 25 Q 5.1148 9.1708 123.7095 54.7106 32.0843 175.8481 26 T 4.5106 7.9165 109.5252 61.7642 69.4259 174.8206 27 N 4.3210 8.0226 118.4689 53.3137 38.7147 174.1900 28 N 4.1600 7.9708 115.1635 54.5463 37.5600 173.5632 29 H 4.5962 8.0894 112.3055 55.1857 29.4628 175.8982 30 N 4.4792 8.8398 120.6136 55.6658 38.8414 175.2184 31 N 5.0782 7.8493 114.8857 51.9531 40.6673 174.5893 32 M 4.8714 8.1115 121.7335 53.9571 37.0744 173.8631 33 Y 5.2810 8.7374 116.9293 56.5752 43.1749 174.0722 34 W 5.2950 9.4669 123.0242 55.2725 32.3634 174.4324 35 Y 5.4947 10.2462 121.8413 56.1256 41.9847 174.4393 36 R 4.8821 8.9821 116.4877 54.5105 32.5840 174.2451 37 Q 5.2985 9.1380 123.5972 54.1564 30.8055 174.2155 38 D 5.0866 8.4634 125.1313 52.1339 44.8919 175.0660 39 T 3.9827 8.5738 117.9101 65.7260 68.6913 174.7780 40 G 3.9128 9.0399 113.1597 46.2260 0.0000 173.2652 41 H 4.7859 7.9658 113.6283 53.9022 31.8764 175.7790 42 G 3.5982 7.8903 108.6222 46.6382 0.0000 173.0853 43 L 5.0688 8.4133 123.0942 53.0028 43.7525 175.6192 44 R 4.8681 8.9818 123.1064 54.3288 33.0144 175.0577 45 L 4.2863 8.6023 125.1253 55.1010 43.2495 176.3670 46 I 4.0920 8.9559 127.2600 63.1514 38.8391 175.3223 47 H 5.6354 8.0086 117.2318 54.6246 33.7446 171.6084 48 Y 5.4429 8.8707 118.5504 56.0645 42.3108 173.4022 49 S 4.3149 8.2441 112.4087 57.0586 65.8503 173.8819 50 Y 5.0666 8.2514 122.0205 56.1582 38.5734 175.7454 51 G 3.9851 7.1336 110.2741 44.5426 0.0000 171.7561 52 A 4.2190 8.0693 122.5143 53.8325 18.4274 178.2481 53 G 3.9101 9.2360 111.0989 45.4109 0.0000 173.0124 54 S 4.7369 7.8442 114.5908 56.3031 64.1385 173.2289 55 T 4.7941 8.1056 116.4153 60.2308 71.8352 172.7021 56 E 4.6359 8.6715 122.0702 54.3418 34.4900 174.6610 57 K 4.4157 8.5521 121.1000 56.2078 32.6369 177.8498 58 G 4.2302 8.7706 118.3931 47.0992 0.0000 174.2701 59 D 4.7818 9.0143 120.5426 55.2847 41.8575 177.3238 60 I 4.6546 7.6039 110.8512 58.6108 37.1989 173.5004 61 P 4.4004 0.0000 0.0000 65.4348 32.4348 177.2428 62 D 4.5305 8.0698 119.3124 56.1513 40.8954 176.6348 63 G 3.8071 9.2948 112.1783 44.9750 0.0000 172.2514 64 Y 4.9659 7.6415 116.1591 56.0460 41.4204 174.9230 65 K 4.7420 9.0183 120.9485 54.9396 36.1691 174.5595 66 A 4.8823 7.9794 120.6254 51.1861 22.2521 175.7390 67 S 4.5554 8.9817 113.7468 56.7435 66.5329 173.0893 68 R 5.3660 8.7873 126.1164 53.0385 29.3129 173.7475 69 P 4.5268 0.0000 0.0000 64.1648 32.3496 176.7216 70 S 4.5711 7.5531 112.5111 57.0074 65.7216 174.6784 71 Q 3.9486 8.6997 121.5107 59.2178 28.8482 177.0636 72 E 4.4227 7.8303 115.1489 57.2995 30.7450 176.4337 73 Q 5.0871 8.0835 122.6590 54.1027 32.0052 173.8346 74 F 5.6654 9.3077 128.6115 56.8648 41.8253 174.0403 75 S 5.1706 9.4565 122.7325 56.7524 65.9545 172.7978 76 L 4.5096 8.2178 125.2267 53.0756 44.2713 174.9868 77 I 4.6902 8.5588 126.9281 59.4835 40.2848 174.4741 78 L 4.6658 8.7621 128.3327 52.9914 42.2154 177.4504 79 E 3.9164 8.6469 125.2840 59.1110 29.8652 176.6721 80 S 4.9319 7.5067 112.9405 56.0526 63.8476 172.3631 81 A 4.4563 9.2331 127.0563 52.4051 19.6656 176.4335 82 T 4.7860 8.6948 110.2336 59.0275 72.0334 173.4562 83 P 4.5349 0.0000 0.0000 65.0448 31.5766 179.0514 84 S 4.1754 8.0483 111.5729 61.1431 62.7997 175.0423 85 Q 4.4060 7.8857 118.0479 56.8820 28.7495 176.1841 86 T 4.2160 8.0940 116.8564 64.1685 68.9455 173.5925 87 S 4.5122 8.6451 120.0198 58.1992 67.2709 175.0286 88 V 4.6773 7.2575 122.4772 61.6838 33.0848 174.0694 89 Y 5.2419 9.1007 124.9470 56.2733 41.4102 174.6093 90 F 5.5279 9.7188 121.5168 55.9709 43.0169 171.9646 91 C 5.0589 9.1528 117.5277 54.0389 41.6558 172.3745 92 A 5.2310 9.0180 120.9490 50.5626 22.7219 175.2473 93 S 5.2575 9.2924 114.1033 56.6640 66.5622 173.2491 94 G 4.5216 9.1367 107.4495 44.1840 0.0000 172.2625 95 G 4.0502 9.1098 112.4665 45.8782 0.0000 172.6336 96 G 4.1225 9.1135 106.1844 46.0676 0.0000 175.4126 97 G 3.9235 7.6012 104.3476 45.5852 0.0000 174.1582 98 T 4.3387 7.2904 115.0548 59.6676 69.0867 172.7208 99 L 4.4674 8.1220 130.8501 54.9308 42.9930 175.1294 100 Y 4.4813 8.8038 124.1697 56.1948 40.6263 174.9382 *107 F 4.9012 8.6468 121.7477 57.2001 40.4619 175.1109 108 G 4.0995 9.2639 109.9315 45.9007 0.0000 173.4440 109 A 4.4324 8.7409 121.1109 52.5894 18.7626 178.6000 110 G 3.4024 8.8818 102.6205 45.2484 0.0000 173.2829 111 T 4.7417 8.4995 117.3862 61.4838 72.2468 172.9275 112 R 4.6678 9.1204 128.3169 55.1890 31.8466 174.6435 113 L 5.2309 9.1031 128.4626 53.3880 45.2021 174.9131 114 S 5.1784 9.0856 122.2838 56.6609 65.6887 173.1107 115 V 4.7736 8.8663 124.5010 61.0308 34.4815 175.3656 116 L 4.4107 8.7101 126.8077 54.8434 41.9110 176.3839 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 2 A 8.26 4.29 1.06 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 0.00 0.00 3 A 9.14 3.83 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 0.00 0.00 0.00 0.00 0.00 4 V 8.42 4.76 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 0.90 0.00 0.00 1.03 0.00 0.00 5 T 9.31 4.60 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 1.25 0.00 0.00 6 Q 8.81 5.28 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 7 S 9.14 4.95 0.00 3.91 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 8 P 0.00 4.85 0.00 2.38 2.11 0.00 3.74 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 1.97 1.96 0.00 9 R 8.46 4.40 0.00 1.78 2.04 0.00 3.37 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 7.96 5.56 0.00 2.55 2.66 0.00 0.00 6.61 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 11 K 9.03 4.56 0.00 1.81 1.57 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.40 7.81 12 V 8.50 4.85 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 0.85 0.00 0.00 0.93 0.00 0.00 13 A 9.12 4.99 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 14 V 9.12 4.56 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 0.73 0.00 0.00 0.94 0.00 0.00 15 T 7.90 4.01 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 16 G 9.17 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 17 E 8.18 4.14 0.00 2.10 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 2.26 2.22 0.00 18 K 8.44 4.82 0.00 1.76 1.66 0.00 1.55 0.00 0.00 2.25 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.21 7.81 19 V 8.85 4.37 1.94 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 0.73 0.00 0.00 0.86 0.00 0.00 20 T 8.47 4.88 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 1.13 0.00 0.00 21 L 8.50 4.65 0.00 0.57 1.25 0.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.21 5.42 0.00 3.81 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 23 C 9.24 5.36 0.00 2.78 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 24 Q 9.57 5.40 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 25 Q 9.17 5.11 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 26 T 7.92 4.51 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 1.19 0.00 0.00 27 N 8.02 4.32 0.00 2.22 2.42 0.00 0.00 6.99 8.00 0.00 0.00 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 N 7.97 4.16 0.00 2.77 2.80 0.00 0.00 7.10 7.89 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 29 H 8.09 4.60 0.00 3.22 3.39 0.00 5.71 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 N 8.84 4.48 0.00 2.75 3.09 0.00 0.00 6.91 8.00 0.00 0.00 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 N 7.85 5.08 0.00 2.87 2.46 0.00 0.00 6.72 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 32 M 8.11 4.87 0.00 1.81 1.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 33 Y 8.74 5.28 0.00 2.97 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 34 W 9.47 5.30 0.00 3.24 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 35 Y 10.25 5.49 0.00 3.29 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 36 R 8.98 4.88 0.00 1.32 1.43 0.00 2.74 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 37 Q 9.14 5.30 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 38 D 8.46 5.09 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 3.98 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 40 G 9.04 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 41 H 7.97 4.79 0.00 3.13 3.29 0.00 5.82 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 42 G 7.89 3.60 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 0.00 0.00 0.00 43 L 8.41 5.07 0.00 1.44 1.61 0.34 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.98 4.87 0.00 1.80 1.89 0.00 3.15 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 45 L 8.60 4.29 0.00 1.75 1.56 0.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.96 4.09 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.67 0.55 0.00 0.00 47 H 8.01 5.64 0.00 3.11 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.87 5.44 0.00 2.52 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 49 S 8.24 4.31 0.00 2.77 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 50 Y 8.25 5.07 0.00 2.95 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 51 G 7.13 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 52 A 8.07 4.22 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 53 G 9.24 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 54 S 7.84 4.74 0.00 3.84 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 55 T 8.11 4.79 4.31 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 1.33 0.00 0.00 56 E 8.67 4.64 0.00 1.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.16 0.00 57 K 8.55 4.42 0.00 1.69 1.78 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 58 G 8.77 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 0.00 0.00 0.00 0.00 59 D 9.01 4.78 0.00 2.63 2.78 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 60 I 7.60 4.65 1.94 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 1.46 0.73 0.95 0.00 0.00 61 P 0.00 4.40 0.00 2.26 2.35 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 62 D 8.07 4.53 0.00 2.74 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 63 G 9.29 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 0.00 0.00 0.00 64 Y 7.64 4.97 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 65 K 9.02 4.74 0.00 1.57 1.64 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81 66 A 7.98 4.88 0.98 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 67 S 8.98 4.56 0.00 3.85 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 68 R 8.79 5.37 0.00 1.96 1.75 0.00 3.60 0.00 0.00 2.89 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 69 P 0.00 4.53 0.00 2.24 2.19 0.00 4.23 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 70 S 7.55 4.57 0.00 4.15 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 71 Q 8.70 3.95 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.16 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 72 E 7.83 4.42 0.00 1.91 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 2.30 2.24 0.00 73 Q 8.08 5.09 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 74 F 9.31 5.67 0.00 2.83 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 75 S 9.46 5.17 0.00 3.70 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 76 L 8.22 4.51 0.00 0.27 0.13 0.68 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.56 4.69 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.43 0.83 0.00 0.00 78 L 8.76 4.67 0.00 1.44 1.44 0.77 0.71 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 79 E 8.65 3.92 0.00 1.93 1.94 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 2.34 2.19 0.00 80 S 7.51 4.93 0.00 3.80 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 81 A 9.23 4.46 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 82 T 8.69 4.79 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 1.15 0.00 0.00 83 P 0.00 4.53 0.00 2.20 2.15 0.00 3.87 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 2.11 2.03 0.00 84 S 8.05 4.18 0.00 3.99 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 85 Q 7.89 4.41 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 86 T 8.09 4.22 4.34 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 1.27 0.00 0.00 87 S 8.65 4.51 0.00 3.73 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 88 V 7.26 4.68 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 0.44 0.00 0.00 0.94 0.00 0.00 89 Y 9.10 5.24 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 90 F 9.72 5.53 0.00 3.18 3.15 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 91 C 9.15 5.06 0.00 1.81 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 92 A 9.02 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 9.29 5.26 0.00 3.93 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 94 G 9.14 4.52 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 0.00 0.00 0.00 95 G 9.11 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 96 G 9.11 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 97 G 7.60 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 0.00 0.00 0.00 98 T 7.29 4.34 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 1.34 0.00 0.00 99 L 8.12 4.47 0.00 1.44 1.20 0.56 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.80 4.48 0.00 3.01 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 *107 F 8.65 4.90 0.00 2.92 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 0.00 108 G 9.26 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 0.00 0.00 0.00 109 A 8.74 4.43 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 0.00 110 G 8.88 3.40 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 0.00 0.00 0.00 0.00 111 T 8.50 4.74 4.39 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 1.28 0.00 0.00 112 R 9.12 4.67 0.00 1.87 1.96 0.00 3.04 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 113 L 9.10 5.23 0.00 1.81 1.72 0.94 0.78 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 0.00 114 S 9.09 5.18 0.00 3.79 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 0.00 115 V 8.87 4.77 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 0.93 0.00 0.00 0.96 0.00 0.00 116 L 8.71 4.41 0.00 1.62 1.52 0.92 0.62 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 * Residues marked with a * may have inaccurate shift predictions.