NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.1992 8.3401 121.7116 54.4876 31.4053 174.1233 8 A 4.5377 7.4639 122.4423 48.8953 21.1987 174.3480 9 P 4.3204 0.0000 0.0000 62.4955 32.9452 174.9558 10 I 3.7287 8.2253 114.3580 60.5415 37.9254 175.6406 11 A 3.8810 8.6880 124.3736 52.7323 18.4641 177.6837 12 A 4.2276 8.4306 125.8689 52.0972 19.2441 176.3303 13 Y 4.3554 8.4551 121.6681 57.1461 39.6007 175.8335 14 K 4.1992 7.2542 126.3356 53.2868 32.0494 173.4320 15 P 4.2260 0.0000 0.0000 63.0749 31.5728 177.0754 16 R 4.5612 8.1503 121.8136 55.0986 30.6120 175.7186 17 S 4.7636 7.3753 110.8591 58.1752 64.8361 175.7334 18 N 5.6490 9.0231 119.2284 52.0936 39.5029 174.3894 19 E 4.7927 8.5083 118.4377 55.6856 32.6974 174.2631 20 I 4.8492 8.5124 122.4130 59.7441 39.3693 175.0408 21 L 4.6876 8.7561 127.9769 52.9481 42.9047 175.8473 22 W 4.9135 9.0605 124.5072 56.3414 30.5143 176.0737 23 D 4.9705 8.7460 123.3379 51.4682 41.5710 177.2930 24 G 3.6825 9.0202 106.7898 48.3081 0.0000 173.7752 25 Y 4.4079 8.5019 115.1479 57.5463 38.3130 175.9379 26 G 3.9723 8.5855 107.6854 46.0753 0.0000 173.7575 27 V 4.2800 8.7658 121.5407 60.6115 32.4486 173.3324 28 P 3.7669 0.0000 0.0000 62.7304 32.3348 176.0745 29 H 4.5175 8.2042 121.5095 53.8645 29.7511 172.2270 30 I 4.2436 7.7023 123.2899 60.8880 38.1530 174.7593 31 Y 4.6551 9.1206 125.0143 56.1336 40.2294 175.0237 32 G 4.5835 8.6496 110.9060 44.3826 0.0000 173.9009 33 V 3.7222 9.1700 115.7884 62.6650 32.1739 176.0337 34 D 4.5648 7.6837 118.7591 51.1083 43.4822 175.8609 35 A 4.1429 8.5886 120.9837 55.4292 18.2061 177.9055 36 P 4.2884 0.0000 0.0000 65.8597 31.3760 179.0709 37 S 4.1938 8.6375 113.6673 61.7084 62.8312 176.6360 38 A 4.0977 8.1652 123.2019 55.2323 18.0142 179.6940 39 F 4.2797 8.7813 116.4537 60.5269 38.9120 177.4837 40 Y 4.5104 8.4415 119.7859 60.6673 38.6400 178.0354 41 G 3.6608 8.5710 106.8039 48.0116 0.0000 174.9143 42 Y 4.5404 8.3568 122.3466 60.5115 38.9372 178.4705 43 G 2.7161 8.4200 106.7725 47.0720 0.0000 175.4451 44 W 3.9696 8.2564 130.7331 60.0724 30.7764 177.7742 45 A 4.3642 8.5949 121.1296 55.6963 17.7953 179.7433 46 Q 3.9304 8.1874 116.1299 58.6804 28.5750 178.9744 47 A 3.6530 7.4740 121.7421 54.8772 18.1646 179.4537 48 R 2.7071 6.5458 117.0937 58.7756 30.1260 178.5291 49 S 4.3382 7.8232 113.1382 60.8363 63.2545 175.0760 50 H 4.8361 8.4595 116.2897 54.8964 31.2006 175.4228 51 G 3.8681 8.3063 109.9142 48.0761 0.0000 175.8199 52 D 4.3094 8.0196 121.0165 57.3583 40.8624 178.7139 53 N 4.3058 7.9970 116.1478 56.1521 38.4863 177.5487 54 I 3.4930 7.5562 121.2489 64.3344 37.1127 178.4701 55 L 3.9293 7.7991 119.7715 57.6179 41.3708 179.6268 56 R 3.8244 7.9278 118.7740 59.3562 29.9885 178.6444 57 L 4.1445 8.2607 119.1604 58.1234 41.4185 179.0510 58 Y 4.4962 8.4415 116.1973 61.0909 37.9256 178.5933 59 G 4.2506 8.7672 106.8862 48.1971 0.0000 175.6486 60 E 4.1846 8.6994 120.9873 59.0648 29.2919 179.2218 61 A 4.3169 8.2152 120.0508 55.0788 18.4899 179.3093 62 R 4.1074 7.6790 115.0268 56.9481 30.2189 177.4130 63 G 3.8169 8.3819 107.1468 46.1943 0.0000 174.0490 64 K 4.1792 7.6624 115.9756 55.4168 32.9513 178.3453 65 G 3.7535 8.2130 108.5956 48.1092 0.0000 176.0640 66 A 4.3182 8.0642 123.3000 54.6494 18.1140 179.4478 67 E 3.7579 7.5836 116.7967 59.5804 29.8908 178.1799 68 Y 4.1176 7.3964 115.9825 59.7342 37.7703 176.6933 69 W 4.8479 7.4038 116.5737 55.8483 30.8145 177.1517 70 G 3.9641 7.8491 109.5699 44.2573 0.0000 172.3710 71 P 4.2437 0.0000 0.0000 66.1802 31.2724 177.7829 72 D 4.6278 8.3210 113.5748 55.7823 40.8756 176.0869 73 Y 4.6850 8.1968 116.1120 57.1387 39.8891 177.1259 74 E 4.0299 8.3517 121.7020 59.2348 29.6462 178.5277 75 Q 4.0415 8.1163 117.6222 59.4303 28.8352 178.8919 76 T 4.0276 7.9475 116.0038 66.9120 68.5874 176.3938 77 T 3.8982 7.9383 117.6180 66.8856 68.5288 176.5595 78 V 3.6020 7.9664 119.7516 65.7320 31.4043 177.7041 79 W 4.3412 8.3715 127.9864 60.7877 30.5651 178.0068 80 L 3.6876 8.4421 119.0591 57.1699 40.9884 179.5840 81 L 3.8466 7.9097 119.2430 58.0680 41.4583 179.4626 82 T 4.0228 7.7197 114.2865 65.9990 68.3260 175.3258 83 N 4.5399 7.0857 114.6051 51.3304 39.2113 174.9796 84 G 3.8885 8.2090 109.3649 46.0108 0.0000 176.5728 85 V 3.2493 7.5345 119.6578 65.0949 31.2472 174.7696 86 P 4.1527 0.0000 0.0000 66.0412 30.9078 177.8466 87 E 3.9169 7.8927 118.3747 58.9010 29.7333 178.5015 88 R 3.9239 7.8136 118.3869 59.0570 29.9001 178.3749 89 A 3.9253 7.8648 120.9208 55.0787 18.3420 179.6118 90 Q 4.0347 7.6661 115.4562 59.0533 28.7457 178.9595 91 Q 4.0561 7.9684 118.8676 58.9673 28.6398 178.7335 92 W 4.4313 8.5035 118.8801 60.0217 29.4859 177.5828 93 Y 4.3618 8.5442 119.2446 60.9206 38.0719 178.2390 94 A 3.8969 8.0201 120.0551 54.9195 18.5633 178.7495 95 Q 4.2274 7.9173 113.8502 55.8591 29.1837 176.2833 96 Q 4.2184 7.0472 119.6811 55.3861 29.6386 176.4752 97 S 4.4757 8.2400 114.1822 57.2765 65.4678 173.2101 98 P 4.1781 0.0000 0.0000 66.1451 30.9738 178.4246 99 D 4.3073 8.0890 116.8539 57.6613 40.7936 178.6573 100 F 3.8499 8.1589 120.4936 61.1191 39.3577 177.2392 101 R 3.8267 8.4023 118.6483 59.0341 29.7905 178.3761 102 A 3.9735 7.7429 120.5944 55.0075 18.3678 179.3614 103 N 3.8081 7.3665 115.0510 56.2304 38.5186 177.5290 104 L 3.9783 7.4470 120.3631 58.0365 41.7318 179.3904 105 D 4.4964 8.4088 118.5351 57.3124 40.6775 178.7305 106 A 4.2031 8.2029 121.3342 55.0851 18.5315 179.2758 107 F 4.4507 8.6206 118.9970 61.7384 39.4552 177.2489 108 A 4.1020 8.3466 119.7828 55.1424 18.1136 179.3846 109 A 4.1781 8.4907 119.5049 55.2307 18.4781 180.0373 110 G 2.9565 8.5921 104.5882 47.8550 0.0000 175.9018 111 I 3.5221 7.3549 122.3218 63.9393 37.1077 178.2948 112 N 4.2878 8.3970 117.0921 56.2603 38.4528 177.1129 113 A 4.1543 8.8024 122.6392 55.5510 18.3553 178.9381 114 Y 2.4535 7.8976 117.5319 60.4177 38.4707 178.3677 115 A 3.8688 7.4680 119.9327 54.9149 18.4604 179.1056 116 Q 3.9731 7.7623 117.7147 59.0391 29.2738 177.4340 117 Q 4.2546 7.8174 118.3651 56.8563 30.6855 175.1504 118 N 4.8648 7.6137 117.1310 51.3612 39.4078 173.8082 119 P 4.2727 0.0000 0.0000 65.5380 31.9303 178.7906 120 D 4.3317 7.8759 117.4223 55.8321 39.5383 176.5085 121 D 4.6298 7.9157 118.2053 54.2171 40.8404 175.6952 122 I 4.5004 7.1125 121.3071 58.9340 38.9783 175.6246 123 S 4.1126 8.9412 120.7156 58.0164 63.1029 172.6870 124 P 4.1905 0.0000 0.0000 66.1121 30.9214 178.2633 125 E 4.1376 8.3104 115.3658 58.5429 29.7729 178.0047 126 V 4.5693 7.5810 110.3567 61.2992 31.9603 177.6042 127 R 4.0138 8.0389 120.3962 58.8522 29.6358 178.4961 128 Q 4.0150 7.8054 115.3030 58.0296 29.1043 177.5225 129 V 3.5396 7.3136 118.3204 65.4832 31.7698 176.6865 130 L 4.1519 7.2316 117.5648 54.1842 41.9747 175.0000 131 P 4.7630 0.0000 0.0000 62.0662 32.8037 175.6936 132 V 4.5769 8.7462 113.6140 60.0954 33.5546 175.5114 133 S 4.7880 9.3432 115.4384 55.4295 66.2651 175.1741 134 G 3.8048 8.7544 107.4461 48.3144 0.0000 175.6456 135 A 3.8890 6.8342 122.1780 55.0065 18.3265 179.4031 136 D 4.1054 8.0967 117.6895 57.3538 40.8937 179.2150 137 V 3.2510 7.4030 118.1699 65.8338 31.5908 178.1196 138 V 3.7181 7.9831 117.7263 65.8940 31.4209 177.5710 139 A 3.9634 8.5609 120.8752 55.6122 18.2149 178.8859 140 H 4.1192 8.1473 116.1647 59.4790 29.6917 177.0986 141 A 4.0267 7.6875 120.5609 55.6301 18.3350 178.7059 142 H 4.5390 8.5749 115.8123 59.4502 30.1552 177.1861 143 R 4.1839 8.4742 120.9781 59.2708 30.0295 177.9561 144 L 4.0848 8.2376 117.2558 57.1283 41.7657 177.7545 *146 N 4.5760 8.0171 115.6626 53.1247 40.3841 175.4256 147 F 5.7250 8.0995 114.8823 56.2766 39.8849 175.8169 148 L 4.7380 8.1868 118.8688 56.9398 45.3364 177.6718 149 Y 4.0785 8.1013 114.7410 61.1383 38.0034 177.6595 150 V 3.6460 7.8263 118.1479 65.0087 32.2682 176.8200 151 A 4.6562 8.1360 129.7248 50.1180 18.7391 175.5470 152 S 4.6679 8.1090 116.0524 57.1893 64.5849 174.6514 153 P 2.9700 0.0000 0.0000 64.8351 30.5519 178.9458 154 G 3.3582 7.5801 105.6668 47.9347 0.0000 175.7674 155 R 3.4774 7.3999 119.9092 58.8655 30.1259 179.0556 156 T 4.1869 7.3517 113.4769 65.9062 68.6526 176.2559 157 L 4.3843 7.4697 119.5903 55.9980 42.4140 176.9352 158 G 3.9902 8.6677 112.7709 45.7775 0.0000 173.4059 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 7 Q 8.34 4.20 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 8 A 7.46 4.54 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 9 P 0.00 4.32 0.00 2.06 2.03 0.00 3.70 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 2.04 2.10 0.00 10 I 8.23 3.73 1.89 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 1.36 0.55 0.92 0.00 0.00 11 A 8.69 3.88 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 12 A 8.43 4.23 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 13 Y 8.46 4.36 0.00 2.96 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 14 K 7.25 4.20 0.00 1.48 1.57 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.24 7.81 15 P 0.00 4.23 0.00 2.31 2.44 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 16 R 8.15 4.56 0.00 1.76 1.93 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 17 S 7.38 4.76 0.00 3.85 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 18 N 9.02 5.65 0.00 2.65 2.85 0.00 0.00 7.12 7.66 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 19 E 8.51 4.79 0.00 2.00 2.00 0.00 0.00 0.00 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 2.30 0.00 20 I 8.51 4.85 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 0.02 0.00 0.00 21 L 8.76 4.69 0.00 1.74 1.69 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 W 9.06 4.91 0.00 3.17 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 23 D 8.75 4.97 0.00 2.84 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 24 G 9.02 3.68 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 0.00 25 Y 8.50 4.41 0.00 3.01 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 26 G 8.59 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 27 V 8.77 4.28 2.49 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 0.85 0.00 0.00 1.02 0.00 0.00 28 P 0.00 3.77 0.00 1.42 0.49 0.00 3.73 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 1.77 1.79 0.00 29 H 8.20 4.52 0.00 3.23 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.70 4.24 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.18 0.94 0.00 0.00 31 Y 9.12 4.66 0.00 3.09 2.93 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 32 G 8.65 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.17 3.72 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 0.85 0.00 0.00 0.97 0.00 0.00 34 D 7.68 4.56 0.00 2.79 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 35 A 8.59 4.14 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 36 P 0.00 4.29 0.00 2.20 2.14 0.00 3.96 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 2.12 2.15 0.00 37 S 8.64 4.19 0.00 4.17 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 38 A 8.17 4.10 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 39 F 8.78 4.28 0.00 3.41 3.48 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 40 Y 8.44 4.51 0.00 3.31 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 41 G 8.57 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 42 Y 8.36 4.54 0.00 3.07 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 43 G 8.42 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 0.00 0.00 0.00 44 W 8.26 3.97 0.00 3.20 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 45 A 8.59 4.36 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 46 Q 8.19 3.93 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.09 0.00 47 A 7.47 3.65 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 48 R 6.55 2.71 0.00 0.85 2.00 0.00 3.00 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 49 S 7.82 4.34 0.00 3.92 3.83 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 0.00 0.00 0.00 50 H 8.46 4.84 0.00 3.03 3.15 0.00 5.66 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 51 G 8.31 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 52 D 8.02 4.31 0.00 2.64 2.66 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 53 N 8.00 4.31 0.00 2.69 2.82 0.00 0.00 6.99 7.21 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 54 I 7.56 3.49 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.18 0.00 0.00 55 L 7.80 3.93 0.00 1.82 1.76 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.93 3.82 0.00 1.67 1.89 0.00 2.66 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.00 57 L 8.26 4.14 0.00 1.87 1.76 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.44 4.50 0.00 3.11 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 59 G 8.77 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 60 E 8.70 4.18 0.00 2.41 2.23 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 2.82 2.94 0.00 61 A 8.22 4.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.11 0.00 1.88 1.93 0.00 3.32 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 63 G 8.38 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 64 K 7.66 4.18 0.00 0.87 0.74 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.10 1.12 7.81 65 G 8.21 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 66 A 8.06 4.32 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 67 E 7.58 3.76 0.00 1.75 1.66 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 2.20 2.30 0.00 68 Y 7.40 4.12 0.00 1.43 1.43 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 69 W 7.40 4.85 0.00 2.61 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 70 G 7.85 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 71 P 0.00 4.24 0.00 2.25 2.20 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 72 D 8.32 4.63 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.20 4.69 0.00 3.43 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 74 E 8.35 4.03 0.00 2.14 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 2.34 2.39 0.00 75 Q 8.12 4.04 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 76 T 7.95 4.03 4.51 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 1.37 0.00 0.00 77 T 7.94 3.90 4.48 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 1.23 0.00 0.00 78 V 7.97 3.60 2.32 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 1.05 0.00 0.00 1.03 0.00 0.00 79 W 8.37 4.34 0.00 3.41 3.27 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 0.00 80 L 8.44 3.69 0.00 1.63 1.53 1.01 0.49 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 81 L 7.91 3.85 0.00 1.63 1.62 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.72 4.02 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 1.14 0.00 0.00 83 N 7.09 4.54 0.00 1.69 1.91 0.00 0.00 7.17 7.53 0.00 0.00 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 G 8.21 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 85 V 7.53 3.25 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 0.90 0.00 0.00 0.02 0.00 0.00 86 P 0.00 4.15 0.00 2.21 2.38 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 87 E 7.89 3.92 0.00 1.98 1.88 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 2.32 2.32 0.00 88 R 7.81 3.92 0.00 1.77 1.60 0.00 2.48 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 89 A 7.86 3.93 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 90 Q 7.67 4.03 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 91 Q 7.97 4.06 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 92 W 8.50 4.43 0.00 3.34 3.25 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 93 Y 8.54 4.36 0.00 3.22 3.27 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 0.00 94 A 8.02 3.90 1.43 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 0.00 0.00 95 Q 7.92 4.23 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.75 0.00 96 Q 7.05 4.22 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 97 S 8.24 4.48 0.00 4.03 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 98 P 0.00 4.18 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 99 D 8.09 4.31 0.00 2.72 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 0.00 100 F 8.16 3.85 0.00 3.08 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 0.00 101 R 8.40 3.83 0.00 1.82 1.95 0.00 2.70 0.00 0.00 2.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.37 0.00 102 A 7.74 3.97 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 0.00 103 N 7.37 3.81 0.00 1.60 1.42 0.00 0.00 7.03 6.59 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 0.00 104 L 7.45 3.98 0.00 1.90 1.84 1.17 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.41 4.50 0.00 2.93 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 0.00 106 A 8.20 4.20 1.63 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 0.00 0.00 107 F 8.62 4.45 0.00 3.44 3.46 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 0.00 0.00 0.00 108 A 8.35 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.18 1.66 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 0.00 110 G 8.59 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 0.00 0.00 0.00 111 I 7.35 3.52 1.94 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.79 0.00 0.00 112 N 8.40 4.29 0.00 2.98 2.92 0.00 0.00 6.93 7.20 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 0.00 113 A 8.80 4.15 1.80 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 0.00 114 Y 7.90 2.45 0.00 1.80 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 0.00 115 A 7.47 3.87 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 0.00 116 Q 7.76 3.97 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 117 Q 7.82 4.25 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 118 N 7.61 4.86 0.00 1.75 2.42 0.00 0.00 6.57 8.18 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 0.00 119 P 0.00 4.27 0.00 2.15 2.25 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 120 D 7.88 4.33 0.00 2.76 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 0.00 121 D 7.92 4.63 0.00 2.80 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 0.00 122 I 7.11 4.50 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.88 0.00 0.00 123 S 8.94 4.11 0.00 4.00 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 0.00 124 P 0.00 4.19 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 125 E 8.31 4.14 0.00 2.00 2.03 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 2.60 2.65 0.00 126 V 7.58 4.57 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 0.85 0.00 0.00 0.97 0.00 0.00 127 R 8.04 4.01 0.00 1.91 1.94 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 128 Q 7.81 4.01 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 129 V 7.31 3.54 2.25 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 1.01 0.00 0.00 1.16 0.00 0.00 130 L 7.23 4.15 0.00 1.83 1.59 0.89 1.04 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 0.00 131 P 0.00 4.76 0.00 2.21 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 132 V 8.75 4.58 2.34 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 0.94 0.00 0.00 1.09 0.00 0.00 133 S 9.34 4.79 0.00 3.74 3.86 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 0.00 0.00 0.00 134 G 8.75 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 0.00 135 A 6.83 3.89 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 0.00 136 D 8.10 4.11 0.00 2.71 2.36 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 0.00 137 V 7.40 3.25 2.34 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 1.08 0.00 0.00 1.27 0.00 0.00 138 V 7.98 3.72 2.39 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 1.34 0.00 0.00 1.26 0.00 0.00 139 A 8.56 3.96 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 0.00 140 H 8.15 4.12 0.00 3.31 3.34 0.00 5.80 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 0.00 141 A 7.69 4.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.57 4.54 0.00 3.11 3.52 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.47 4.18 0.00 1.93 2.16 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 144 L 8.24 4.08 0.00 1.86 1.88 1.16 0.74 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 *146 N 8.02 4.58 0.00 2.82 2.37 0.00 0.00 6.86 8.13 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 0.00 147 F 8.10 5.72 0.00 3.10 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 0.00 148 L 8.19 4.74 0.00 1.96 1.59 1.01 0.94 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 0.00 149 Y 8.10 4.08 0.00 2.98 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 0.00 150 V 7.83 3.65 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 0.75 0.00 0.00 0.96 0.00 0.00 151 A 8.14 4.66 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 0.00 152 S 8.11 4.67 0.00 3.91 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 0.00 153 P 0.00 2.97 0.00 1.48 0.49 0.00 3.45 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 154 G 7.58 3.36 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 0.00 155 R 7.40 3.48 0.00 1.81 2.03 0.00 3.17 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 156 T 7.35 4.19 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 1.47 0.00 0.00 157 L 7.47 4.38 0.00 1.60 1.67 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.67 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 * Residues marked with a * may have inaccurate shift predictions.