NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1805 8.1400 114.7923 57.7683 64.7841 173.9051 2 L 3.9293 8.8268 123.8449 57.9827 41.3205 177.7978 3 L 4.0223 8.3620 121.9119 58.2881 42.2787 178.4435 4 E 4.0541 8.5196 118.8375 59.0213 29.4580 178.7298 5 F 4.7016 8.4704 120.4766 61.5503 39.4739 177.3083 6 G 3.5646 8.2169 105.0490 47.5809 0.0000 175.6268 7 K 4.0286 7.7254 121.9204 59.3938 32.1979 178.5412 8 M 4.1320 8.5129 118.7828 58.7913 32.0759 177.9567 9 I 3.6061 7.9625 120.2484 64.3365 37.2517 177.7611 10 L 4.8149 8.2276 122.4792 57.7940 41.6885 178.8752 11 E 3.9709 8.1332 116.8008 59.5190 29.5367 178.8679 12 E 4.1009 8.2676 118.0155 59.0771 29.9141 178.0811 13 T 4.4480 8.7886 107.7358 60.9609 70.3775 175.7010 14 G 3.7885 8.5208 110.3947 45.7769 0.0000 173.1826 *16 K 4.6055 7.3987 117.6069 56.1812 33.5540 174.4579 17 L 4.6691 8.0300 120.3508 53.4385 42.9138 177.1469 18 A 4.0537 8.7054 127.3709 55.1216 18.4243 176.6552 19 I 4.6209 7.6201 114.6521 59.3901 38.6486 173.9984 20 P 5.1510 0.0000 0.0000 61.9192 31.7011 176.5058 21 S 4.2246 7.9681 116.9018 61.5514 62.6730 174.7063 22 Y 4.8847 8.4975 114.6518 57.5258 39.1423 176.3907 23 S 4.6910 8.1989 116.1554 59.9129 64.1641 175.1507 24 S 5.2085 7.7837 116.9212 57.6364 63.0381 172.6999 25 Y 4.6684 8.0560 121.9639 58.6491 40.4736 175.8555 26 G 3.6902 7.5350 114.3742 47.4246 0.0000 173.2041 27 C 4.7680 9.1586 115.2094 57.2951 39.9429 174.4047 28 Y 4.4207 8.4594 115.7488 57.7620 39.8282 174.6435 29 C 4.8533 8.3105 118.8449 58.9092 40.2004 173.5345 30 G 4.6246 10.4369 113.3565 46.7244 0.0000 173.5420 31 W 4.9451 8.0663 113.9831 55.2067 33.4165 175.4667 32 G 4.0073 7.8371 103.8807 45.1499 0.0000 169.5697 33 G 3.6646 7.4834 108.8805 44.5614 0.0000 174.3145 34 K 4.5421 7.1091 119.4630 54.7535 36.5908 175.7069 35 G 4.3407 9.5574 107.6948 44.8436 0.0000 172.2402 36 T 4.4361 8.0144 115.0271 60.7736 68.8350 172.9435 37 P 4.5490 0.0000 0.0000 63.0167 31.6936 177.5830 38 K 3.8933 9.3771 123.9660 59.1529 32.2466 176.0975 39 D 4.3498 7.1460 113.1274 51.5332 42.5123 175.5291 40 A 3.9759 8.6705 119.9031 56.2099 18.0397 179.8811 41 T 3.9231 7.9123 113.5393 66.9606 68.5351 176.2273 42 D 4.5227 8.5409 119.9215 57.3405 41.2076 178.4936 43 R 3.9444 8.6008 119.2796 59.2545 29.9903 178.2128 44 C 4.1933 8.4737 116.5206 60.3977 37.5561 175.6348 45 C 4.3441 8.1697 117.9165 59.8106 40.9744 175.9117 46 F 3.6430 8.2310 122.2667 61.1744 38.9223 177.3237 47 V 3.3811 7.9227 117.7876 66.2299 31.3459 177.2968 48 H 3.8114 8.4437 118.3134 59.3697 29.5983 176.9394 49 D 4.1372 8.3388 120.9733 57.4270 40.3906 178.1116 50 C 4.0902 7.5415 116.1380 59.8289 39.8911 174.9402 51 C 4.2504 8.4232 120.3373 60.1594 44.4462 175.2242 52 Y 4.1777 7.9485 118.2124 61.2349 37.1674 179.1442 53 G 3.6488 7.9155 105.7359 47.5993 0.0000 174.7278 54 N 4.6188 8.1773 116.4766 53.7953 39.8737 175.0502 55 L 4.8139 7.5307 119.9231 52.2551 42.0779 174.5157 56 P 4.2007 0.0000 0.0000 66.1182 31.8457 178.2865 *59 D 4.7732 7.7648 116.4261 54.0961 42.4251 175.5837 *61 C 5.3195 7.7445 115.4347 57.3585 37.7378 173.1912 *67 N 4.7573 7.9404 115.3982 52.5104 38.6418 173.2682 68 P 3.9310 0.0000 0.0000 65.3242 32.1082 179.1955 69 K 4.1223 8.0869 117.1439 58.5172 32.1530 178.5067 70 S 4.8085 7.7944 110.4433 58.0865 64.9036 173.5755 71 D 4.4758 8.4544 122.0421 53.7415 41.3500 175.6539 72 R 4.4015 8.3963 125.8776 55.3721 31.3004 174.9320 73 Y 5.0066 7.5586 118.0500 55.0860 41.4625 174.3115 74 K 4.9532 8.6371 118.5620 54.8993 35.2371 175.0948 75 Y 5.5169 8.2580 120.8593 55.6270 41.2587 173.6848 76 K 4.7645 9.4278 119.3505 55.3529 36.9738 174.8631 77 R 5.5677 8.5154 119.1076 54.1092 31.9169 176.7462 78 V 4.0374 8.5179 124.9348 62.1056 31.7440 176.6139 79 N 4.2518 8.2227 128.3955 54.5760 36.8200 175.9886 80 G 3.9732 8.8839 115.7287 45.9958 0.0000 173.0048 81 A 4.2468 7.6894 122.6463 51.8849 19.7667 176.8456 82 I 4.7134 8.2035 121.2964 60.0962 38.7935 175.5023 83 V 4.4096 8.9038 126.8047 61.1874 34.4456 173.6294 84 C 4.9058 8.8683 125.8420 56.6833 40.7961 173.4257 85 E 4.4932 9.1000 124.1865 55.1976 30.6035 176.7726 86 K 4.0327 8.5976 123.9264 56.7365 33.6226 175.7118 *88 G 4.2805 8.2695 113.9422 45.3942 0.0000 172.9833 89 T 4.2347 9.0110 115.3340 61.0461 71.0558 175.9219 90 S 4.0751 8.4505 116.5721 61.7216 62.9243 177.1460 91 C 4.1940 8.1007 119.6187 59.8698 36.0428 175.5115 92 E 3.9583 8.2362 120.0145 59.8609 29.1605 179.4748 93 N 4.2850 8.2679 116.2824 56.3506 38.5079 177.7056 94 R 4.0014 8.1251 119.1428 58.5341 30.1542 179.2450 95 I 3.6083 7.9376 120.5609 64.3266 37.1388 177.3277 96 C 3.1241 7.5496 119.1668 59.5357 37.4616 175.4830 97 E 3.8170 7.8284 119.6947 59.4790 28.8150 178.9209 98 C 4.2285 7.7357 116.7126 60.1365 41.3002 175.8767 99 D 4.0421 8.0130 120.5078 56.9372 40.3616 178.5769 100 K 3.7600 8.3698 120.4336 59.4784 32.1435 178.5498 101 A 3.8687 7.7343 120.1329 55.1915 18.2040 179.4575 102 A 3.5103 7.7009 118.7566 54.8872 18.2790 179.8017 103 A 3.7669 7.9692 119.1747 55.3756 18.4723 179.7858 104 I 3.5991 7.5424 118.3516 64.6424 36.9407 177.7418 105 C 4.1541 7.8505 117.9309 59.7054 42.0302 175.2504 106 F 4.6219 7.9853 119.5150 60.8903 38.3017 177.6118 107 R 3.9764 8.2075 117.1261 59.4629 29.9351 177.7005 108 Q 4.2807 8.1488 117.2648 57.3815 29.3481 175.7576 109 N 5.1039 7.9732 115.4398 53.2184 40.3493 175.9690 110 L 4.1712 8.2144 121.4339 57.8491 41.7827 179.0577 111 N 4.5395 8.2924 114.7471 54.9145 37.3525 175.4685 112 T 4.5910 8.0214 107.6350 61.0142 69.4453 173.4572 113 Y 4.1128 7.8086 123.4573 58.2882 39.5144 175.3516 114 S 4.8093 8.8824 121.0872 56.2343 65.1541 174.9142 115 K 4.2232 8.7372 126.7495 58.5535 32.0728 178.4804 116 K 4.0661 7.3983 117.0319 58.1456 32.8339 177.0269 117 Y 4.4005 7.1675 116.8525 57.8957 38.3925 175.3706 118 M 4.3894 7.3802 120.6021 56.1800 32.5301 175.9091 119 L 3.6770 8.4213 121.1913 55.4344 40.0740 174.3904 120 Y 4.1621 7.4270 118.3919 57.2892 39.3378 174.1449 121 P 4.3885 0.0000 0.0000 62.1565 32.7899 176.1997 122 D 4.2121 9.0178 122.2323 57.3656 40.9976 178.3480 *124 F 4.8135 7.8291 110.3107 56.4581 39.5668 174.9854 125 L 3.9325 7.0293 120.6885 54.5548 41.1192 176.3393 126 C 4.9227 7.9400 117.7419 54.7561 39.6801 172.7835 127 K 4.6340 8.4555 123.1017 55.4139 34.4318 176.8482 128 G 4.2540 8.8770 108.9321 46.0633 0.0000 172.4207 129 E 4.7513 8.3101 120.7884 54.8574 31.0240 175.6741 130 L 4.7455 8.2868 122.5639 53.2059 44.8010 176.2320 131 K 4.2731 8.4968 124.9978 56.2051 33.2434 177.7426 *133 C 4.8681 8.5048 117.4946 57.5283 41.5319 173.8913 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 S 8.14 5.18 0.00 4.18 4.09 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 2 L 8.83 3.93 0.00 2.05 1.85 1.20 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.36 4.02 0.00 1.82 1.67 0.88 0.97 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 4 E 8.52 4.05 0.00 1.85 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 0.00 1.99 2.26 0.00 5 F 8.47 4.70 0.00 3.28 3.35 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 6 G 8.22 3.56 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 0.00 0.00 0.00 7 K 7.73 4.03 0.00 1.75 2.12 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.50 7.81 8 M 8.51 4.13 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 9 I 7.96 3.61 1.97 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.82 0.00 0.00 10 L 8.23 4.81 0.00 1.80 1.88 0.97 0.80 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 11 E 8.13 3.97 0.00 2.17 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 2.42 2.69 0.00 12 E 8.27 4.10 0.00 2.16 2.10 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 2.37 2.38 0.00 13 T 8.79 4.45 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 1.29 0.00 0.00 14 G 8.52 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 *16 K 7.40 4.61 0.00 1.83 1.57 0.00 1.43 0.00 0.00 0.95 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 17 L 8.03 4.67 0.00 1.72 1.72 0.91 0.97 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 18 A 8.71 4.05 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 19 I 7.62 4.62 1.92 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 1.56 0.73 0.96 0.00 0.00 20 P 0.00 5.15 0.00 2.19 2.15 0.00 3.36 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.97 4.22 0.00 3.85 3.29 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 22 Y 8.50 4.88 0.00 2.77 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 S 8.20 4.69 0.00 4.13 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 24 S 7.78 5.21 0.00 4.00 4.09 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 25 Y 8.06 4.67 0.00 3.04 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 26 G 7.53 3.69 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 0.00 0.00 0.00 27 C 9.16 4.77 0.00 3.05 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 28 Y 8.46 4.42 0.00 3.26 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 29 C 8.31 4.85 0.00 3.45 3.56 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 30 G 10.44 4.62 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 0.00 0.00 0.00 31 W 8.07 4.95 0.00 3.25 3.31 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 32 G 7.84 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 0.00 0.00 0.00 33 G 7.48 3.66 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 0.00 0.00 0.00 0.00 34 K 7.11 4.54 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 35 G 9.56 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 0.00 0.00 0.00 0.00 36 T 8.01 4.44 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 1.14 0.00 0.00 37 P 0.00 4.55 0.00 2.01 1.97 0.00 3.34 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 1.44 1.72 0.00 38 K 9.38 3.89 0.00 0.79 0.87 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 0.49 7.81 39 D 7.15 4.35 0.00 2.71 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 40 A 8.67 3.98 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 T 7.91 3.92 3.97 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 0.64 0.00 0.00 42 D 8.54 4.52 0.00 3.03 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 43 R 8.60 3.94 0.00 2.09 1.95 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 44 C 8.47 4.19 0.00 3.15 2.79 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 45 C 8.17 4.34 0.00 3.34 3.49 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 46 F 8.23 3.64 0.00 2.56 3.01 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 47 V 7.92 3.38 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 0.86 0.00 0.00 1.04 0.00 0.00 48 H 8.44 3.81 0.00 3.10 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.34 4.14 0.00 2.74 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 50 C 7.54 4.09 0.00 2.90 2.94 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 51 C 8.42 4.25 0.00 2.92 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 52 Y 7.95 4.18 0.00 3.03 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 53 G 7.92 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 0.00 0.00 0.00 54 N 8.18 4.62 0.00 2.78 2.84 0.00 0.00 6.80 8.12 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 55 L 7.53 4.81 0.00 1.48 1.50 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.20 0.00 2.18 2.30 0.00 3.78 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 1.99 0.00 *59 D 7.76 4.77 0.00 2.76 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 *61 C 7.74 5.32 0.00 3.03 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 *67 N 7.94 4.76 0.00 2.72 2.76 0.00 0.00 7.60 8.03 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 68 P 0.00 3.93 0.00 1.32 0.49 0.00 3.35 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 69 K 8.09 4.12 0.00 1.82 1.89 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.46 7.81 70 S 7.79 4.81 0.00 3.93 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 71 D 8.45 4.48 0.00 2.63 2.64 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 72 R 8.40 4.40 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 73 Y 7.56 5.01 0.00 3.01 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 74 K 8.64 4.95 0.00 1.74 1.97 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.26 5.52 0.00 3.13 3.06 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 76 K 9.43 4.76 0.00 1.81 1.92 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.44 7.81 77 R 8.52 5.57 0.00 1.75 1.96 0.00 3.56 0.00 0.00 3.90 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.52 0.00 78 V 8.52 4.04 2.10 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 1.03 0.00 0.00 0.96 0.00 0.00 79 N 8.22 4.25 0.00 2.93 1.95 0.00 0.00 7.01 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 80 G 8.88 3.97 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 0.00 0.00 0.00 81 A 7.69 4.25 1.26 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 82 I 8.20 4.71 1.81 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 1.09 0.49 0.72 0.00 0.00 83 V 8.90 4.41 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 1.10 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.91 0.00 2.85 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 85 E 9.10 4.49 0.00 2.06 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 2.37 2.33 0.00 86 K 8.60 4.03 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.44 7.81 *88 G 8.27 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 0.00 0.00 0.00 0.00 89 T 9.01 4.23 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 1.28 0.00 0.00 90 S 8.45 4.08 0.00 4.04 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 91 C 8.10 4.19 0.00 2.96 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 92 E 8.24 3.96 0.00 2.29 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 0.00 2.61 2.68 0.00 93 N 8.27 4.29 0.00 2.80 2.81 0.00 0.00 7.07 7.43 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 94 R 8.13 4.00 0.00 1.79 1.91 0.00 3.08 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 95 I 7.94 3.61 1.98 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 1.17 0.83 0.92 0.00 0.00 96 C 7.55 3.12 0.00 2.05 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 97 E 7.83 3.82 0.00 2.10 1.90 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 2.44 2.43 0.00 98 C 7.74 4.23 0.00 3.22 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 99 D 8.01 4.04 0.00 2.81 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 0.00 100 K 8.37 3.76 0.00 1.68 1.86 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.36 7.81 101 A 7.73 3.87 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 0.00 102 A 7.70 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.97 3.77 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 0.00 104 I 7.54 3.60 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.88 0.00 0.00 105 C 7.85 4.15 0.00 2.99 3.01 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 0.00 106 F 7.99 4.62 0.00 3.06 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 0.00 107 R 8.21 3.98 0.00 1.79 2.26 0.00 3.53 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 108 Q 8.15 4.28 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 109 N 7.97 5.10 0.00 2.86 2.81 0.00 0.00 6.85 6.87 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 0.00 110 L 8.21 4.17 0.00 1.76 1.77 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.29 4.54 0.00 2.87 2.99 0.00 0.00 5.81 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 0.00 112 T 8.02 4.59 4.32 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 1.26 0.00 0.00 113 Y 7.81 4.11 0.00 2.99 3.01 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 0.00 114 S 8.88 4.81 0.00 3.94 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 0.00 115 K 8.74 4.22 0.00 1.89 1.86 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.62 7.81 116 K 7.40 4.07 0.00 1.53 1.69 0.00 1.14 0.00 0.00 1.44 0.00 0.00 2.47 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.85 0.21 7.81 117 Y 7.17 4.40 0.00 1.92 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 0.00 0.00 0.00 118 M 7.38 4.39 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 119 L 8.42 3.68 0.00 1.80 1.73 0.91 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 0.00 120 Y 7.43 4.16 0.00 3.17 3.06 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 0.00 121 P 0.00 4.39 0.00 2.47 2.16 0.00 2.79 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.85 0.00 122 D 9.02 4.21 0.00 2.69 2.76 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 0.00 0.00 0.00 *124 F 7.83 4.81 0.00 3.24 3.12 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 0.00 125 L 7.03 3.93 0.00 0.93 1.39 0.50 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.94 4.92 0.00 3.06 3.20 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 0.00 127 K 8.46 4.63 0.00 1.80 1.70 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.36 7.81 128 G 8.88 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 0.00 0.00 0.00 0.00 129 E 8.31 4.75 0.00 2.02 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 2.34 2.29 0.00 130 L 8.29 4.75 0.00 1.52 1.45 0.35 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 4.27 0.00 1.91 1.76 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.50 4.87 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.