NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4058 0.0000 0.0000 62.6255 32.0919 175.2091 3 V 4.1766 7.3530 114.1064 59.4781 35.0842 173.9635 4 A 4.2920 9.1754 127.8088 51.3157 20.7883 176.7657 5 H 4.7124 8.4103 120.5422 54.3481 28.2415 174.1714 6 V 4.0953 8.0643 123.5685 61.1106 32.7381 174.9350 7 A 4.6646 8.4337 129.4809 50.4975 20.3766 176.1362 8 L 4.7911 8.2072 122.7512 52.1393 44.4415 175.6600 9 P 4.5266 0.0000 0.0000 62.0175 29.8773 175.5286 10 V 4.0583 7.6512 125.3307 60.1432 33.0481 174.9915 11 P 4.0251 0.0000 0.0000 63.8811 31.2023 178.4254 12 L 2.6270 6.5534 117.1787 53.4306 45.2873 173.8510 13 P 4.4830 0.0000 0.0000 60.7415 31.7722 175.9885 14 R 3.8546 8.4224 124.7490 56.6036 29.3426 175.2596 15 T 4.7718 8.0681 118.8819 60.0648 70.4184 172.6859 16 F 4.7040 8.8771 122.7625 55.6437 40.9382 175.0929 17 D 4.8444 8.4593 125.2152 53.3186 41.9340 175.3861 18 Y 4.9686 8.2824 120.5931 55.9443 41.8888 174.8750 19 L 4.2958 9.0295 125.0467 54.7393 43.8537 175.6163 20 L 4.7819 8.4715 128.0421 52.7913 42.4883 173.8201 21 P 4.1419 0.0000 0.0000 62.1970 32.0055 175.5832 22 E 4.0145 8.7325 122.3629 58.4986 29.5555 177.0809 23 G 3.9331 9.1723 114.1678 45.4044 0.0000 171.9441 24 M 4.5605 8.0921 119.4487 53.7843 33.7795 175.1624 25 T 4.6821 8.1867 118.7277 60.4869 70.6229 173.0610 26 V 4.5724 8.1724 119.8534 59.5331 35.9010 174.3540 27 K 4.5663 8.0961 120.8414 53.8597 35.1448 175.3313 28 A 3.9313 8.2368 125.9445 53.9339 18.8207 178.2845 29 G 3.5595 9.1088 109.3469 45.1736 0.0000 172.5073 30 C 5.2470 7.4128 117.4161 57.7651 31.1015 173.8712 31 R 4.9202 10.6282 121.6295 56.6525 31.4217 175.9543 32 V 4.8754 8.9278 113.7181 60.3104 36.8750 173.6723 33 R 4.9168 9.2340 123.0848 55.1769 31.9000 176.1184 34 V 4.5409 8.1682 115.5668 58.7512 36.3435 173.2309 35 P 4.7809 0.0000 0.0000 62.7785 32.4939 176.3979 36 F 4.4243 8.9657 124.5869 58.5794 41.5479 173.6428 37 G 3.8514 8.4279 120.7137 46.2475 0.0000 173.7752 *39 Q 4.1439 8.1110 118.3632 55.2142 30.0677 176.2420 40 Q 4.4872 8.6392 114.5429 55.5226 31.7771 175.1473 41 E 5.1164 8.3104 119.2723 55.2215 32.9901 175.0662 42 R 4.4614 8.2429 118.7070 55.8093 34.1575 173.1558 43 I 4.7762 8.1619 123.8569 59.9278 38.7297 175.3366 44 G 4.5364 9.0714 112.8669 44.6961 0.0000 170.9140 45 I 5.1063 8.5514 120.3247 59.0191 39.4912 176.0513 46 V 3.7565 9.2370 128.6173 63.3463 31.6614 176.8638 47 V 4.3846 8.7267 128.1375 64.8018 32.1164 175.3195 48 S 4.6068 7.1965 111.3254 58.0271 64.4850 175.8305 49 V 4.4064 8.4585 120.0653 61.2467 33.7156 174.4000 50 S 4.9203 8.5130 125.8752 58.1012 63.3381 174.1512 51 D 4.7404 8.5559 119.0584 53.3375 42.6322 175.2395 52 A 4.4694 7.3952 117.5152 52.1006 21.5573 175.3627 53 S 4.7633 8.2568 113.8955 56.3083 66.2157 173.5287 54 E 4.2666 8.0795 119.4447 56.6219 29.2619 175.9278 55 L 4.8294 7.5397 116.6206 52.3509 45.3987 174.3660 56 P 4.1178 0.0000 0.0000 63.2479 31.5563 177.6542 57 L 3.8547 8.2081 124.1318 58.0971 40.6085 177.4640 58 N 4.9286 7.9219 112.7724 52.2054 38.1246 174.2312 59 E 4.2028 8.5442 119.7457 56.7976 29.9974 175.7301 60 L 4.7242 7.4594 118.1800 53.9711 42.5909 175.9532 61 K 4.0695 8.6603 121.2045 56.6429 33.2394 175.8996 62 A 4.9905 8.5636 124.7838 51.1905 19.9537 177.2906 63 V 3.6458 8.4385 119.5887 63.3201 31.9724 175.8235 64 V 4.2091 8.6750 124.2078 64.3300 33.0441 175.4877 65 E 4.7385 7.7093 117.6196 55.3372 33.0084 174.2808 66 V 4.6512 8.3324 118.4053 59.9049 32.9599 175.7526 67 L 4.4433 8.5907 125.1748 55.2711 42.2302 176.8295 68 D 4.7517 7.7449 118.4135 52.8191 44.4891 175.3829 69 S 4.5482 8.7263 118.7383 58.5371 64.0155 173.9586 70 E 4.6869 7.6667 117.5555 53.0332 31.6071 173.8369 71 P 4.3873 0.0000 0.0000 62.6141 31.6245 177.4719 72 V 3.6664 8.2755 123.0485 62.8016 31.3945 175.8967 73 F 4.9829 7.3646 118.4791 55.3655 42.3687 175.7119 74 T 4.2018 8.4552 119.3874 63.6291 70.2174 175.2331 75 H 4.2427 8.8811 122.7034 59.4372 29.8243 177.8243 76 S 4.1861 8.0595 115.4630 61.6094 63.3180 176.1574 77 V 3.6476 8.0570 122.3861 65.2376 30.9992 177.6617 78 W 3.9888 8.5050 127.8253 60.5542 30.6532 177.9926 79 R 3.8335 7.8126 118.7676 59.1025 29.4414 178.2662 80 L 3.9812 8.2273 120.5967 58.1809 42.2206 178.9054 81 L 3.9174 8.0061 119.1321 57.8545 41.5341 179.5303 82 L 3.7342 7.3385 118.8028 57.3162 41.3694 179.3495 83 W 3.9463 8.0697 128.0373 60.3493 30.6640 177.5374 84 A 3.2802 8.7357 120.7202 55.1393 17.6929 179.3552 85 A 3.8861 8.2627 119.2057 55.3368 18.5429 179.3974 86 D 4.1355 7.6032 115.8570 57.5331 41.1643 177.5589 87 Y 3.6066 7.5479 119.2905 60.6841 38.5583 176.6156 88 Y 4.2434 7.6464 114.0825 57.2260 38.4634 175.5004 89 H 3.9120 7.3646 115.7450 57.5162 26.4743 174.2099 90 H 5.0060 8.6685 115.4225 52.7032 32.1764 173.5694 91 P 4.2862 0.0000 0.0000 62.6737 32.0570 177.0521 92 I 3.6763 8.7116 123.3526 64.5251 37.8331 177.8979 93 G 3.8797 8.2146 105.6973 47.6669 0.0000 175.0888 94 D 4.4675 8.0342 119.8109 57.3062 41.3902 178.1597 95 V 3.5935 8.0200 118.9166 66.0196 31.5117 177.8904 96 L 3.7892 8.1753 118.8188 58.0415 41.3057 179.7362 97 F 4.1536 8.0487 115.9882 60.6644 37.5700 177.1985 98 H 4.4513 8.6323 115.8999 58.4998 28.5009 177.5732 99 A 4.3594 8.4337 122.9807 54.8142 18.0862 179.1516 100 L 3.8960 8.1581 119.0074 58.2438 41.9389 177.5362 101 P 4.2462 0.0000 0.0000 65.6913 31.3283 178.3648 102 I 3.9862 7.1467 117.3904 64.1561 37.1959 178.0444 103 L 4.1823 8.1208 119.3320 57.5669 41.5532 177.2356 104 L 4.1824 8.0260 122.4427 54.9365 41.6563 176.5337 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 P 0.00 4.41 0.00 2.18 2.16 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 V 7.35 4.18 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 0.72 0.00 0.00 0.91 0.00 0.00 4 A 9.18 4.29 1.20 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 5 H 8.41 4.71 0.00 3.17 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.06 4.10 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 0.79 0.00 0.00 0.93 0.00 0.00 7 A 8.43 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 8 L 8.21 4.79 0.00 1.59 1.54 0.90 1.08 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 9 P 0.00 4.53 0.00 2.16 2.08 0.00 3.74 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 1.97 1.93 0.00 10 V 7.65 4.06 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 0.71 0.00 0.00 0.87 0.00 0.00 11 P 0.00 4.03 0.00 2.03 2.04 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 12 L 6.55 2.63 0.00 1.58 1.62 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.21 2.04 0.00 3.87 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 14 R 8.42 3.85 0.00 1.75 1.91 0.00 3.19 0.00 0.00 2.85 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 15 T 8.07 4.77 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 16 F 8.88 4.70 0.00 3.19 2.92 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 17 D 8.46 4.84 0.00 2.59 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 18 Y 8.28 4.97 0.00 2.89 2.88 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 0.00 0.00 0.00 19 L 9.03 4.30 0.00 1.95 1.59 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.47 4.78 0.00 1.72 1.63 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.14 0.00 2.23 2.02 0.00 3.70 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 2.15 2.15 0.00 22 E 8.73 4.01 0.00 1.93 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 2.31 2.34 0.00 23 G 9.17 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 0.00 0.00 0.00 24 M 8.09 4.56 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 25 T 8.19 4.68 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 1.21 0.00 0.00 26 V 8.17 4.57 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 0.77 0.00 0.00 0.96 0.00 0.00 27 K 8.10 4.57 0.00 1.69 1.53 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.32 7.81 28 A 8.24 3.93 1.01 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 29 G 9.11 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 30 C 7.41 5.25 0.00 2.89 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 31 R 10.63 4.92 0.00 1.87 1.89 0.00 3.07 0.00 0.00 3.64 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 32 V 8.93 4.88 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 0.68 0.00 0.00 0.87 0.00 0.00 33 R 9.23 4.92 0.00 1.68 1.92 0.00 3.04 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 34 V 8.17 4.54 0.67 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 0.27 0.00 0.00 0.63 0.00 0.00 35 P 0.00 4.78 0.00 2.09 2.04 0.00 3.77 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 2.13 2.11 0.00 36 F 8.97 4.42 0.00 2.95 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 37 G 8.43 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 0.00 0.00 0.00 *39 Q 8.11 4.14 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 40 Q 8.64 4.49 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.47 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 41 E 8.31 5.12 0.00 1.81 1.82 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 2.20 2.27 0.00 42 R 8.24 4.46 0.00 1.64 1.46 0.00 2.37 0.00 0.00 2.66 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.00 43 I 8.16 4.78 1.86 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 1.26 0.67 0.99 0.00 0.00 44 G 9.07 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.55 5.11 1.92 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 1.17 0.00 0.00 46 V 9.24 3.76 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 0.99 0.00 0.00 1.08 0.00 0.00 47 V 8.73 4.38 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 1.02 0.00 0.00 1.10 0.00 0.00 48 S 7.20 4.61 0.00 4.06 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 49 V 8.46 4.41 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 0.92 0.00 0.00 1.01 0.00 0.00 50 S 8.51 4.92 0.00 4.02 3.77 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 51 D 8.56 4.74 0.00 2.63 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 52 A 7.40 4.47 1.20 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 53 S 8.26 4.76 0.00 4.35 3.77 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 54 E 8.08 4.27 0.00 2.10 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 2.30 0.00 55 L 7.54 4.83 0.00 1.61 1.48 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.12 0.00 2.35 2.03 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 57 L 8.21 3.85 0.00 1.76 1.82 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.92 4.93 0.00 2.82 2.91 0.00 0.00 5.98 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 59 E 8.54 4.20 0.00 1.93 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 0.00 2.31 2.24 0.00 60 L 7.46 4.72 0.00 1.70 1.59 0.98 0.47 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 61 K 8.66 4.07 0.00 2.00 2.01 0.00 1.85 0.00 0.00 1.95 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.57 7.81 62 A 8.56 4.99 1.27 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 0.00 0.00 63 V 8.44 3.65 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 0.76 0.00 0.00 1.02 0.00 0.00 64 V 8.68 4.21 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 0.81 0.00 0.00 0.91 0.00 0.00 65 E 7.71 4.74 0.00 2.02 1.68 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 2.23 2.28 0.00 66 V 8.33 4.65 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 0.77 0.00 0.00 0.96 0.00 0.00 67 L 8.59 4.44 0.00 1.55 1.69 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.74 4.75 0.00 2.55 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 69 S 8.73 4.55 0.00 3.83 3.88 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 0.00 0.00 0.00 70 E 7.67 4.69 0.00 1.99 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 2.11 2.20 0.00 71 P 0.00 4.39 0.00 2.24 2.19 0.00 3.65 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 2.02 1.87 0.00 72 V 8.28 3.67 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 0.30 0.00 0.00 0.65 0.00 0.00 73 F 7.36 4.98 0.00 3.20 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 74 T 8.46 4.20 4.45 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 1.34 0.00 0.00 75 H 8.88 4.24 0.00 3.25 3.36 0.00 5.86 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 76 S 8.06 4.19 0.00 4.12 4.14 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 0.00 0.00 0.00 0.00 77 V 8.06 3.65 2.30 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 1.31 0.00 0.00 1.04 0.00 0.00 78 W 8.50 3.99 0.00 3.60 3.32 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 79 R 7.81 3.83 0.00 2.05 1.99 0.00 3.10 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 80 L 8.23 3.98 0.00 1.82 1.81 1.02 0.62 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 81 L 8.01 3.92 0.00 1.25 1.40 0.56 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 82 L 7.34 3.73 0.00 1.43 1.48 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.07 3.95 0.00 3.45 3.51 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 84 A 8.74 3.28 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 85 A 8.26 3.89 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 86 D 7.60 4.14 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 87 Y 7.55 3.61 0.00 1.44 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 88 Y 7.65 4.24 0.00 3.03 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 89 H 7.36 3.91 0.00 3.12 3.24 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.67 5.01 0.00 3.04 3.12 0.00 5.67 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 91 P 0.00 4.29 0.00 2.22 2.06 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 92 I 8.71 3.68 1.84 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 1.42 1.70 0.97 0.00 0.00 93 G 8.21 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.03 4.47 0.00 2.84 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 95 V 8.02 3.59 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 0.96 0.00 0.00 0.96 0.00 0.00 96 L 8.18 3.79 0.00 1.53 1.46 0.93 0.29 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 97 F 8.05 4.15 0.00 3.20 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 98 H 8.63 4.45 0.00 3.33 3.38 0.00 5.62 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 99 A 8.43 4.36 1.51 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 0.00 0.00 100 L 8.16 3.90 0.00 2.04 1.73 0.30 0.91 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 0.00 101 P 0.00 4.25 0.00 2.10 2.13 0.00 3.97 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 2.08 2.23 0.00 102 I 7.15 3.99 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.37 0.95 0.00 0.00 103 L 8.12 4.18 0.00 1.91 1.78 1.28 1.26 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 0.00 104 L 8.03 4.18 0.00 1.61 1.54 0.82 0.95 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 * Residues marked with a * may have inaccurate shift predictions.