NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 F 4.6180 8.4245 119.0081 56.7078 39.7330 176.3815 -3 Q 4.0877 8.8475 121.8203 57.8154 29.4878 179.6119 -2 S 4.2817 8.9891 113.8171 62.0531 63.9090 175.2582 -1 N 4.3865 8.1555 115.3797 56.2221 38.3945 176.6317 0 A 4.0162 7.3883 115.2891 53.2351 17.9289 177.8683 -2 A 4.1317 8.9191 121.9171 56.2531 19.2090 178.4582 -1 K 3.9665 8.0455 117.0797 59.3221 32.5945 178.0317 0 S 4.1662 7.4583 107.1891 59.0351 62.6289 174.6684 5 R 4.0778 7.9198 120.3136 58.9221 29.9284 178.6242 6 L 3.9555 7.8313 119.8746 57.9438 42.1160 178.7043 7 L 3.9129 7.7958 119.7413 58.0095 42.1849 178.1908 8 L 3.9207 7.9461 119.8363 58.4966 41.9840 178.6548 9 S 4.0881 8.1524 112.7898 61.4876 62.3763 175.6863 10 E 4.0675 8.0245 121.2902 58.7123 29.3065 178.6819 11 L 4.0206 8.1599 119.4694 57.8000 41.5759 179.4117 12 L 4.0304 8.1607 118.9868 57.7801 41.2659 179.3703 13 D 4.3426 7.8823 118.2723 57.5110 40.8599 178.5123 14 Q 4.1586 7.8494 116.9294 58.1841 28.8837 177.6460 15 L 4.4264 8.0069 118.2490 54.3526 42.4622 177.3184 16 S 3.9901 6.9912 114.6780 58.1708 63.4749 173.2296 17 F 4.8589 7.3418 115.6591 55.7336 40.8212 173.0492 18 A 4.8117 8.5980 121.6408 51.3350 20.5211 176.3341 19 L 5.3673 8.6266 121.9683 53.7398 46.1245 174.4843 20 C 5.0541 9.2525 125.1081 57.8473 35.6246 172.3230 21 I 5.0052 8.5945 125.6229 59.6468 39.8245 175.0413 22 V 4.9725 8.6981 119.2238 59.4739 36.0519 176.1676 23 R 4.4369 8.7731 122.3828 54.7598 31.3384 177.3035 24 N 3.9825 8.5460 115.1108 56.8159 37.8404 176.4909 25 D 4.4021 7.7622 115.2571 54.1124 41.2255 176.6298 26 Y 3.7196 7.3567 116.2499 58.6120 36.0399 168.8766 27 V 4.2446 7.1066 121.6356 62.2954 32.1992 175.3033 28 I 4.3432 9.1480 129.3652 61.8424 37.2752 176.9179 29 V 4.3614 8.7775 120.0131 61.5584 33.8402 175.7996 30 K 4.6649 7.7401 119.9938 55.3621 35.7509 174.6620 31 V 4.8308 8.0896 122.9990 61.7798 34.6748 172.8849 32 N 4.7813 8.7619 124.4504 51.3556 39.9371 175.6678 33 E 3.8458 8.6568 118.3085 60.0583 29.1230 179.4122 34 Y 4.1847 7.4353 114.9619 60.7077 38.1942 178.0075 35 F 4.0423 8.5210 121.6638 61.4043 39.5842 176.7487 36 E 4.1336 8.3794 118.5362 59.6864 29.1704 179.0503 37 S 4.5933 7.8158 110.3881 59.1590 63.5326 174.6557 38 R 4.4781 7.7132 120.0486 55.8519 31.0317 175.4041 39 V 4.4274 7.1699 110.3159 58.8975 35.0847 176.7650 40 I 3.4635 7.7595 114.4565 62.7861 37.5918 176.1722 41 F 5.0092 6.6878 119.6164 55.9017 39.1946 175.2103 42 D 4.7981 8.0919 121.5863 52.4517 40.3729 178.0361 43 G 3.9878 8.6480 108.5392 48.0068 0.0000 175.2672 44 E 4.1290 7.7006 117.8522 59.7971 29.4567 180.4676 45 T 4.0329 7.9478 107.9946 61.4364 68.1156 174.1575 *47 Q 3.8998 8.1640 120.5500 58.0522 29.7551 176.3327 48 G 3.8607 9.1037 110.9203 45.8028 0.0000 173.3338 49 K 4.3729 7.2267 118.7344 54.7432 33.8614 175.2557 50 N 5.0379 8.3424 119.5346 52.9358 40.0246 175.8989 51 I 3.8331 9.1601 128.7974 64.1280 37.8633 177.9908 52 L 4.0461 8.1681 119.3724 57.8030 41.5597 178.8435 53 E 4.0990 8.0603 116.8282 59.4702 29.5388 179.0463 54 L 3.9002 8.0655 118.3388 56.0879 43.1828 177.5057 55 F 5.1179 8.0269 117.3874 54.8015 39.3426 173.5256 56 P 4.5028 0.0000 0.0000 65.3336 31.8824 179.3073 57 E 4.1815 8.3305 116.9902 58.1330 29.8120 177.7714 58 S 4.8894 8.1828 113.2866 57.7461 63.8277 175.4933 59 A 4.0173 7.7823 125.7846 55.2265 17.8795 179.2932 60 D 4.2558 8.1649 115.9906 57.8315 41.2913 177.8665 61 Y 4.0640 7.9629 119.2691 60.6176 38.9340 177.3762 62 L 3.6805 8.1069 121.3703 57.7507 42.1012 178.7814 63 K 3.6603 8.1286 119.8075 59.4535 32.0853 178.6514 64 R 3.7625 7.4799 118.6191 59.3247 29.8098 178.6454 65 K 3.7409 7.5913 118.0754 59.4079 31.9965 179.4393 66 I 3.7149 8.0801 120.3521 64.6191 37.0425 178.2533 67 D 4.4132 8.8886 120.1975 57.5273 40.5926 178.8506 68 T 3.8186 8.2750 116.4683 66.8442 68.0578 176.3880 69 A 4.1809 7.7672 122.1890 55.1606 18.1290 179.6797 70 L 3.9772 7.8461 116.8407 57.7345 41.7186 179.8828 71 V 3.8654 7.7550 111.6872 64.1566 31.9951 178.2781 72 I 3.9083 7.6292 109.4314 60.8280 38.3202 175.1526 73 E 3.8934 7.7081 118.6820 56.6790 27.4019 173.9078 74 S 4.6401 7.4446 109.2980 56.9686 65.8120 174.5640 75 S 4.8037 8.4423 116.4950 58.7468 63.7691 173.3748 76 S 4.8688 9.1495 114.8902 56.9745 66.7596 172.6364 77 F 5.3594 8.5861 123.0557 57.0025 42.1432 173.4059 78 S 4.5469 7.9835 119.1221 57.1484 66.5648 174.4435 79 S 4.8134 8.4702 115.5361 57.8326 64.0820 174.1957 80 W 4.3264 9.4190 131.7588 56.5630 29.6368 175.7998 81 E 3.9823 8.6760 126.9119 58.9928 29.1133 177.9960 82 Q 4.1752 6.4238 120.4832 55.0045 30.0835 176.2555 83 K 4.0427 8.5836 126.1244 56.9025 31.9658 173.5805 84 P 4.5527 0.0000 0.0000 61.9804 30.5860 175.6888 85 H 3.5180 8.3067 120.9934 54.8311 29.4130 175.9905 86 L 3.7957 7.0755 125.1554 57.1597 42.1933 177.1357 87 L 4.3686 6.5628 116.2834 51.4097 44.1433 174.2543 88 P 4.1555 0.0000 0.0000 62.8526 31.8657 176.3769 89 F 4.4030 8.6537 118.9950 60.7166 39.3236 178.4849 90 K 4.2486 7.7420 122.2175 54.7612 28.5031 177.4920 *101 Q 3.8994 7.8004 123.3294 55.4034 30.3757 174.3193 *103 Y 5.0123 7.7905 117.1173 57.3391 40.3149 173.1157 104 Q 5.0817 8.8599 116.1131 54.5630 32.7511 174.7113 105 N 5.3116 8.9095 120.3750 52.0621 41.2902 173.7582 106 L 5.3376 9.3273 124.4677 53.3533 45.4398 174.5636 107 E 5.3975 9.7233 127.4674 54.4480 32.5979 174.4574 108 V 4.9227 8.9521 126.4746 61.2003 34.5976 174.0453 109 I 4.8449 8.7890 128.5750 58.8186 40.3317 173.2486 110 P 4.6336 0.0000 0.0000 62.4777 32.5145 175.7534 111 I 4.4419 8.7962 125.3519 59.8928 39.2459 174.7414 112 H 4.9141 8.8114 124.8431 54.8897 29.8604 175.7311 113 S 4.4383 9.1343 120.7446 57.7363 63.6645 174.8631 114 E 3.8930 8.9611 122.5645 59.7248 29.1150 178.0263 115 D 4.3768 8.0291 116.0267 56.3764 41.4556 175.7324 116 G 3.7971 7.5214 107.7347 45.6870 0.0000 174.4388 117 T 4.1756 7.7391 110.0849 60.8571 69.7048 174.1343 118 I 4.2235 8.1662 124.7912 61.6695 37.0328 175.4788 119 E 5.0698 8.7235 123.6225 55.5020 32.4484 175.6015 120 H 5.1975 8.1339 115.5197 53.8556 33.6356 172.6427 121 V 4.8998 8.9364 119.6367 60.1783 35.2116 173.6566 122 C 5.1032 9.3711 123.4670 57.8373 33.6770 172.1619 123 L 5.3465 9.2470 126.5281 53.2792 44.2235 175.2428 124 C 5.9429 9.1728 120.3600 56.9533 32.1973 172.9682 125 V 4.9734 8.5438 123.1604 61.4662 33.6735 173.9023 126 Y 5.1366 9.1946 124.9289 56.3432 41.5482 174.1422 127 D 5.3815 8.7683 120.7896 52.6007 43.3464 175.6958 128 V 4.3485 8.3831 123.3528 61.1713 34.1456 174.7402 129 T 4.5717 8.5685 125.4016 62.3577 70.9924 174.8144 130 I 4.1316 8.0169 123.0740 59.9326 36.2746 171.7388 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 *-4 F 8.42 4.62 0.00 2.32 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 0.00 0.00 0.00 -3 Q 8.85 4.09 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 -2 S 8.99 4.28 0.00 3.85 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 -1 N 8.16 4.39 0.00 2.69 2.89 0.00 0.00 6.85 7.35 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 A 7.39 4.02 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 -2 A 8.92 4.13 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 -1 K 8.05 3.97 0.00 1.70 1.89 0.00 0.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 0 S 7.46 4.17 0.00 3.86 3.76 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 5 R 7.92 4.08 0.00 1.87 1.97 0.00 3.36 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 1.72 1.63 0.00 6 L 7.83 3.96 0.00 2.02 1.81 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.80 3.91 0.00 1.89 1.81 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.95 3.92 0.00 1.90 1.84 0.94 0.85 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 9 S 8.15 4.09 0.00 4.02 4.07 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 0.00 0.00 0.00 10 E 8.02 4.07 0.00 2.32 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 2.30 2.35 0.00 11 L 8.16 4.02 0.00 1.89 1.72 0.94 0.54 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 12 L 8.16 4.03 0.00 1.73 1.79 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.88 4.34 0.00 2.65 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 14 Q 7.85 4.16 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 15 L 8.01 4.43 0.00 1.66 1.82 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 6.99 3.99 0.00 2.72 3.17 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 17 F 7.34 4.86 0.00 2.74 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 18 A 8.60 4.81 1.45 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 0.00 0.00 0.00 19 L 8.63 5.37 0.00 1.73 1.40 1.11 0.77 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 20 C 9.25 5.05 0.00 2.18 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 21 I 8.59 5.01 1.87 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 1.22 0.97 0.95 0.00 0.00 22 V 8.70 4.97 2.13 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 0.81 0.00 0.00 1.00 0.00 0.00 23 R 8.77 4.44 0.00 1.85 1.74 0.00 3.11 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 24 N 8.55 3.98 0.00 2.58 2.69 0.00 0.00 6.82 8.08 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 25 D 7.76 4.40 0.00 2.67 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 26 Y 7.36 3.72 0.00 3.47 3.08 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 0.00 27 V 7.11 4.24 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 0.90 0.00 0.00 1.02 0.00 0.00 28 I 9.15 4.34 1.87 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 1.24 0.53 0.87 0.00 0.00 29 V 8.78 4.36 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 0.69 0.00 0.00 0.98 0.00 0.00 30 K 7.74 4.66 0.00 1.81 1.56 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.46 7.81 31 V 8.09 4.83 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 0.87 0.00 0.00 0.50 0.00 0.00 32 N 8.76 4.78 0.00 2.72 2.87 0.00 0.00 6.94 7.00 0.00 0.00 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 E 8.66 3.85 0.00 1.51 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 2.27 2.27 0.00 34 Y 7.44 4.18 0.00 3.09 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 35 F 8.52 4.04 0.00 3.36 3.16 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 0.00 0.00 0.00 0.00 36 E 8.38 4.13 0.00 2.23 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 0.00 2.46 2.46 0.00 37 S 7.82 4.59 0.00 4.05 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 38 R 7.71 4.48 0.00 1.54 1.71 0.00 3.08 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 39 V 7.17 4.43 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 0.56 0.00 0.00 1.26 0.00 0.00 40 I 7.76 3.46 1.42 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.76 0.00 0.00 41 F 6.69 5.01 0.00 3.27 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 42 D 8.09 4.80 0.00 2.96 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 43 G 8.65 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 44 E 7.70 4.13 0.00 2.10 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 2.35 2.30 0.00 45 T 7.95 4.03 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 1.26 0.00 0.00 *47 Q 8.16 3.90 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.97 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 48 G 9.10 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 0.00 0.00 0.00 49 K 7.23 4.37 0.00 1.90 1.61 0.00 1.48 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.29 7.81 50 N 8.34 5.04 0.00 2.78 2.81 0.00 0.00 6.59 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 51 I 9.16 3.83 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 1.12 0.00 0.00 52 L 8.17 4.05 0.00 1.61 1.64 0.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.06 4.10 0.00 2.01 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 2.29 2.39 0.00 54 L 8.07 3.90 0.00 1.33 0.74 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.03 5.12 0.00 3.29 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 56 P 0.00 4.50 0.00 2.26 2.34 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 57 E 8.33 4.18 0.00 2.08 2.12 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 2.41 2.35 0.00 58 S 8.18 4.89 0.00 4.11 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 0.00 59 A 7.78 4.02 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 60 D 8.16 4.26 0.00 2.76 2.74 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 0.00 0.00 0.00 0.00 61 Y 7.96 4.06 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 62 L 8.11 3.68 0.00 2.14 1.64 0.97 0.65 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 63 K 8.13 3.66 0.00 1.79 1.66 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 0.93 7.81 64 R 7.48 3.76 0.00 1.83 1.90 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 65 K 7.59 3.74 0.00 1.60 1.56 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.53 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.66 0.60 7.81 66 I 8.08 3.71 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 1.05 0.00 0.00 67 D 8.89 4.41 0.00 2.73 2.74 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 0.00 0.00 0.00 0.00 68 T 8.28 3.82 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 1.19 0.00 0.00 69 A 7.77 4.18 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 70 L 7.85 3.98 0.00 1.78 1.72 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.76 3.87 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 0.80 0.00 0.00 1.06 0.00 0.00 72 I 7.63 3.91 1.88 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 1.75 0.61 0.91 0.00 0.00 73 E 7.71 3.89 0.00 2.19 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 0.00 2.42 2.36 0.00 74 S 7.44 4.64 0.00 3.95 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 75 S 8.44 4.80 0.00 4.06 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 76 S 9.15 4.87 0.00 3.86 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 77 F 8.59 5.36 0.00 3.00 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 78 S 7.98 4.55 0.00 3.86 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 79 S 8.47 4.81 0.00 4.03 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 80 W 9.42 4.33 0.00 3.59 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 81 E 8.68 3.98 0.00 1.74 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 2.38 2.28 0.00 82 Q 6.42 4.18 0.00 0.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 83 K 8.58 4.04 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.04 7.81 84 P 0.00 4.55 0.00 2.24 2.10 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 85 H 8.31 3.52 0.00 2.68 2.56 0.00 5.70 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 86 L 7.08 3.80 0.00 1.52 1.08 -0.18 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 87 L 6.56 4.37 0.00 1.20 1.15 0.63 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.16 0.00 2.07 1.96 0.00 3.56 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 89 F 8.65 4.40 0.00 2.99 3.04 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 90 K 7.74 4.25 0.00 1.77 1.64 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.04 7.81 *101 Q 7.80 3.90 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.40 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 *103 Y 7.79 5.01 0.00 3.28 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 0.00 104 Q 8.86 5.08 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 105 N 8.91 5.31 0.00 2.84 2.27 0.00 0.00 6.11 6.94 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 0.00 106 L 9.33 5.34 0.00 2.00 1.52 1.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 107 E 9.72 5.40 0.00 2.62 2.12 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 2.39 2.63 0.00 108 V 8.95 4.92 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 1.03 0.00 0.00 0.91 0.00 0.00 109 I 8.79 4.84 1.93 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 1.29 0.88 0.95 0.00 0.00 110 P 0.00 4.63 0.00 1.88 1.91 0.00 3.67 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 2.04 2.11 0.00 111 I 8.80 4.44 1.99 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 1.25 1.12 0.92 0.00 0.00 112 H 8.81 4.91 0.00 3.14 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.13 4.44 0.00 4.03 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 0.00 114 E 8.96 3.89 0.00 1.92 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 2.30 2.33 0.00 115 D 8.03 4.38 0.00 2.66 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 0.00 116 G 7.52 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 0.00 117 T 7.74 4.18 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 1.22 0.00 0.00 118 I 8.17 4.22 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.86 0.00 0.00 119 E 8.72 5.07 0.00 1.95 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 2.17 2.07 0.00 120 H 8.13 5.20 0.00 3.05 3.13 0.00 5.75 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 0.00 121 V 8.94 4.90 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 0.68 0.00 0.00 0.96 0.00 0.00 122 C 9.37 5.10 0.00 3.01 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 0.00 123 L 9.25 5.35 0.00 1.67 1.67 1.03 0.72 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 0.00 124 C 9.17 5.94 0.00 2.96 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 0.00 125 V 8.54 4.97 2.12 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 0.98 0.00 0.00 1.17 0.00 0.00 126 Y 9.19 5.14 0.00 2.95 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 0.00 127 D 8.77 5.38 0.00 2.53 2.58 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 0.00 128 V 8.38 4.35 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 0.64 0.00 0.00 0.62 0.00 0.00 129 T 8.57 4.57 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 1.18 0.00 0.00 130 I 8.02 4.13 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 1.16 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.