NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3593 8.2493 123.5896 52.0899 19.0588 175.0676 10 H 4.8652 8.1725 115.3500 52.5461 31.7890 172.6018 11 K 4.6151 8.6540 121.3212 55.2540 35.3811 176.2849 12 K 4.9778 9.4820 125.1079 54.8996 34.5699 174.8338 13 I 4.9051 9.0998 127.9971 59.4960 40.1375 174.1662 14 F 5.0888 9.3307 130.4228 56.6592 41.0500 174.0343 15 L 4.6180 8.3232 130.0016 53.4948 43.5852 175.3882 16 V 4.0642 7.9538 128.0612 61.6750 31.8886 174.2594 17 E 4.7260 8.5400 127.4249 55.2233 32.8502 175.1559 18 D 4.4978 8.6223 124.1201 53.9405 41.4083 176.2882 19 N 4.3505 8.7075 118.9244 53.3862 39.2636 175.1825 20 K 4.0401 8.7080 128.8113 59.3404 32.1908 179.0986 21 A 3.9669 7.9719 120.5412 55.4037 18.4777 179.3099 22 D 4.3278 8.8441 117.8463 57.3900 40.7534 178.9949 23 I 3.6228 8.2199 120.7931 64.3202 37.0762 178.2259 24 R 3.8552 8.1740 119.5560 59.3836 29.8665 178.0957 25 L 4.0527 7.9412 119.8310 58.4010 42.1579 178.9169 26 I 3.6126 8.2381 119.8605 64.7031 37.1648 178.5229 27 Q 4.0330 8.3778 118.9160 58.8461 28.2263 178.7696 28 E 4.0615 8.1877 119.0012 59.2553 29.7283 178.8540 29 A 3.3949 8.2089 121.1799 54.9558 18.1324 179.7718 30 L 3.9790 7.7459 115.8624 57.4933 41.7082 179.2373 31 A 4.2162 7.6630 119.6279 54.1549 18.3500 177.1773 32 N 4.8523 7.5696 114.3615 53.5083 38.6004 175.7596 33 S 4.5137 7.8272 112.6303 57.9202 64.1592 174.7558 34 T 3.9545 8.2878 110.5805 63.0404 69.0960 174.8221 35 V 4.2840 7.0957 122.5807 60.2868 34.1424 172.8900 36 P 4.2130 0.0000 0.0000 63.7072 31.6406 174.9523 37 H 5.1788 8.4245 117.7511 54.0644 33.3810 171.9574 38 E 4.6624 9.0863 120.6783 54.6091 31.6065 174.5452 39 V 4.7530 8.5196 126.8860 61.2401 33.5761 174.4782 40 V 4.4194 8.8109 128.7707 61.4234 33.6968 174.2228 41 T 4.7944 8.4853 124.1346 61.7725 70.9208 173.8963 42 V 4.4087 7.9057 119.0282 59.5255 35.2487 176.5233 43 R 4.6917 8.7297 120.2918 55.3248 30.7647 176.1080 44 D 4.8120 7.5054 117.6389 50.8796 43.4615 176.1089 45 G 4.2083 8.2325 108.9288 47.6808 0.0000 175.8967 46 M 4.0901 8.0959 120.3603 58.5175 32.0568 178.4830 47 E 4.1038 9.3543 118.6216 59.2975 29.6263 179.1348 48 A 4.2362 7.9996 120.7666 55.8550 18.3977 179.6758 49 M 4.0511 8.3226 116.5865 58.3424 31.9521 178.8406 50 A 4.0509 8.2383 121.0102 55.3874 18.6324 179.0529 51 Y 3.3150 8.1758 118.2738 60.7397 38.5987 178.3790 52 L 3.9550 7.8455 118.4714 57.1324 41.7216 178.6346 53 R 4.2912 8.0071 115.9132 54.6974 31.0937 176.3245 54 Q 3.9340 7.2979 116.3812 55.9771 26.8330 173.8565 55 E 4.6021 8.5563 116.0510 55.6603 32.3009 177.7345 56 G 3.8524 8.4603 111.3178 45.7436 0.0000 176.0270 57 E 3.5755 8.6044 118.9681 59.4899 29.4597 177.7082 58 Y 4.5067 7.0534 116.1145 58.0816 38.0591 177.6922 59 A 3.9702 7.9820 125.4512 55.0817 18.4596 179.3889 60 N 4.6415 7.8571 108.7664 52.5948 39.3263 174.7083 61 A 3.8981 7.7810 122.4824 52.0264 18.4392 177.9732 62 S 4.2398 8.3855 117.7507 57.9672 63.8511 174.2392 63 R 3.9011 8.2544 122.6899 55.6446 30.3607 174.7942 64 P 4.5377 0.0000 0.0000 62.9345 32.1723 175.7453 65 D 4.6828 8.7563 119.5331 55.8329 41.9884 176.8276 66 L 4.7252 7.7167 119.8574 53.4909 45.9972 174.4056 67 I 4.9480 8.6874 126.8473 59.5166 40.0814 174.3449 68 L 4.7956 8.8064 127.5211 53.1898 43.7310 175.4503 69 L 4.8897 8.4830 127.4460 53.3668 45.4518 176.3161 *71 L 4.1600 8.4706 116.9810 55.0575 43.3514 177.3637 72 N 4.8298 7.8373 117.5359 52.6380 36.8633 173.4100 73 L 4.7080 7.4365 120.5389 51.7033 44.4111 174.9965 74 P 4.3674 0.0000 0.0000 63.5643 31.9116 176.1615 75 K 4.1925 8.8062 123.8484 56.3060 30.5517 176.2821 76 K 4.4728 7.3343 117.5482 53.7123 35.0710 175.7828 77 D 4.9441 8.6157 126.3606 52.6987 41.8192 177.3512 78 G 3.6896 9.2069 109.7239 48.5341 0.0000 176.7757 79 R 3.9876 8.0470 122.3316 61.5385 29.4282 181.4590 80 E 4.1983 8.8783 119.8536 59.0387 29.4302 179.5409 81 V 3.5819 7.8237 118.3554 65.8052 31.5373 177.7048 82 L 3.8629 8.5227 120.0660 58.2338 42.0680 178.6733 83 A 3.9729 7.8781 120.5150 55.4722 18.0726 179.5286 84 E 4.0313 8.1025 115.8224 59.2849 29.8546 179.4953 85 I 3.8823 7.9543 120.0483 64.3718 37.1514 178.2586 86 K 4.2543 8.0493 115.9789 57.7438 31.9818 177.5834 87 S 4.5149 7.3586 111.9876 58.4727 63.7014 173.6416 88 D 4.4945 7.7454 120.8662 53.2603 41.3980 174.8917 89 P 4.2477 0.0000 0.0000 65.3985 31.5945 176.8652 90 T 4.3308 8.0784 110.8576 63.1975 68.6117 175.5098 91 L 4.2166 8.0108 120.5656 56.4474 42.0698 178.8080 92 K 4.0643 7.7504 117.3798 59.3476 32.3944 178.1682 93 R 4.1579 7.8051 116.9439 57.4669 30.5410 176.5953 94 I 3.8649 7.4854 120.1285 60.2420 37.5152 174.0411 95 P 4.5077 0.0000 0.0000 62.6221 32.5864 175.2548 96 V 4.4924 9.1111 124.9932 60.9198 34.2544 174.2512 97 V 4.3386 8.6298 128.3571 60.8338 33.6601 174.5736 98 V 4.0169 8.3602 129.8070 62.4837 32.5801 174.4953 99 L 4.9983 8.4459 130.2080 53.4438 43.8828 175.1682 100 S 4.7320 8.7113 120.7522 56.7270 65.9487 174.9433 101 T 3.8713 8.5770 113.4186 63.6977 69.1187 175.1020 102 S 4.1761 8.1814 120.5850 59.2423 62.6051 174.1636 103 I 4.5070 8.2412 123.7610 59.3436 36.6571 172.2934 104 N 4.4935 8.3042 123.2342 55.4496 39.6800 175.9986 105 E 4.0194 8.9335 127.3760 61.5348 29.7548 175.5735 106 D 4.6504 8.9543 119.7947 57.3869 40.8248 178.6243 107 D 4.4595 8.2637 119.0738 57.2544 41.0013 178.7010 108 I 2.8955 7.5626 120.0051 64.0428 37.0756 178.1753 109 F 4.0026 8.2353 121.3404 61.6338 39.2692 176.5525 110 H 4.3007 8.7669 118.0434 59.4430 29.6837 177.2799 111 S 4.0694 8.2767 116.9143 62.0067 62.6797 176.4495 112 Y 3.9570 7.7940 119.0483 60.9208 37.3366 177.8878 113 D 4.1369 7.8923 118.3444 56.7591 41.3385 177.3384 114 L 4.2315 7.5050 116.9165 54.7323 41.7959 176.5298 115 H 4.2660 7.9839 115.5136 56.2299 26.3619 175.6815 116 V 3.7363 7.4345 118.2473 61.9015 31.7029 175.9421 117 N 4.7050 8.3427 119.5529 56.6157 39.0386 175.0655 118 C 4.9270 7.6355 116.0896 58.4073 35.3130 171.9271 119 Y 4.9447 8.7775 124.7867 55.8379 40.9726 174.6538 120 I 4.9125 8.7509 127.0381 59.7204 41.3749 174.3198 121 T 4.9139 8.6074 116.7512 60.2345 70.3275 174.7059 122 K 4.1575 9.0470 126.0055 56.3565 32.4532 177.5698 123 S 4.3080 8.7344 120.6750 58.4686 63.5138 174.2589 124 A 4.0982 8.4402 124.8121 54.1599 18.8354 177.9131 125 N 4.7145 7.9369 114.8253 52.2147 40.1167 174.9626 126 L 3.9956 8.6502 128.6550 58.5435 41.8542 179.7998 127 S 4.2670 8.1492 114.0568 61.5632 62.7041 176.7115 128 Q 4.0310 8.6702 121.1656 58.9105 28.4357 178.4309 129 L 3.9542 8.2187 121.5841 58.1034 42.1686 178.6491 130 F 3.9973 8.7625 120.9919 61.6313 39.3376 177.2267 131 Q 4.1661 8.4043 117.3859 58.6794 28.3627 178.7894 132 I 3.7408 7.9110 121.4193 64.3579 37.1005 178.5163 133 V 3.5287 7.9664 119.3004 65.9061 31.2088 178.2159 134 K 3.9920 7.9524 118.3219 59.2989 31.8468 179.5895 135 G 3.6314 8.1178 106.1507 47.6376 0.0000 175.8878 136 I 4.0317 8.0087 122.3741 64.2226 37.1147 178.0154 137 E 4.0347 8.5699 122.6291 60.0934 29.5370 179.1833 138 E 4.0216 8.4012 118.3878 61.1688 29.6695 180.8867 139 F 4.1009 8.4385 121.6421 60.9080 39.3296 177.4898 140 W 4.0593 8.3992 117.1741 58.6473 29.1759 177.2262 141 L 4.4955 8.2144 116.3456 54.9084 41.7278 176.1400 142 S 4.4551 7.6452 110.7537 60.2137 64.2780 175.1186 143 T 3.7648 7.7788 115.4091 66.3749 68.2719 175.5035 144 A 3.8142 7.2168 122.6330 51.8895 18.9303 176.8354 145 T 4.4037 7.9549 116.3539 61.7204 69.5776 174.9856 146 L 4.4336 8.2441 126.8408 53.0480 42.7610 175.3526 147 P 4.2791 0.0000 0.0000 64.3197 32.0397 177.3005 148 S 4.1031 8.5873 115.1225 58.8293 62.1577 172.5104 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 9 A 8.25 4.36 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 10 H 8.17 4.87 0.00 3.35 3.24 0.00 5.52 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 11 K 8.65 4.62 0.00 1.74 1.80 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 12 K 9.48 4.98 0.00 1.76 1.65 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 13 I 9.10 4.91 1.86 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 1.07 0.63 0.86 0.00 0.00 14 F 9.33 5.09 0.00 2.88 2.86 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 15 L 8.32 4.62 0.00 1.63 1.30 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.95 4.06 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 0.63 0.00 0.00 0.45 0.00 0.00 17 E 8.54 4.73 0.00 2.00 1.58 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 2.14 2.27 0.00 18 D 8.62 4.50 0.00 2.77 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 19 N 8.71 4.35 0.00 2.76 2.87 0.00 0.00 7.03 6.32 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 20 K 8.71 4.04 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.50 7.81 21 A 7.97 3.97 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 22 D 8.84 4.33 0.00 2.76 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 23 I 8.22 3.62 2.00 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 1.33 0.85 0.87 0.00 0.00 24 R 8.17 3.86 0.00 1.96 2.12 0.00 3.12 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 25 L 7.94 4.05 0.00 1.83 1.84 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.24 3.61 1.87 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 1.46 0.88 0.83 0.00 0.00 27 Q 8.38 4.03 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 28 E 8.19 4.06 0.00 2.37 2.27 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 2.72 2.56 0.00 29 A 8.21 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.75 3.98 0.00 1.63 1.76 0.88 0.58 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 31 A 7.66 4.22 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 32 N 7.57 4.85 0.00 2.90 2.93 0.00 0.00 7.03 8.66 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 33 S 7.83 4.51 0.00 4.19 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 34 T 8.29 3.95 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 1.23 0.00 0.00 35 V 7.10 4.28 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 0.81 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.21 0.00 2.06 1.98 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 37 H 8.42 5.18 0.00 3.02 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.09 4.66 0.00 2.19 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 2.29 2.30 0.00 39 V 8.52 4.75 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 0.79 0.00 0.00 0.95 0.00 0.00 40 V 8.81 4.42 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 0.92 0.00 0.00 1.05 0.00 0.00 41 T 8.49 4.79 4.16 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 1.11 0.00 0.00 42 V 7.91 4.41 1.99 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 0.78 0.00 0.00 0.39 0.00 0.00 43 R 8.73 4.69 0.00 1.75 1.89 0.00 3.25 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 44 D 7.51 4.81 0.00 3.08 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 0.00 46 M 8.10 4.09 0.00 2.08 2.36 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 47 E 9.35 4.10 0.00 1.97 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 2.90 2.58 0.00 48 A 8.00 4.24 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 49 M 8.32 4.05 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.89 0.00 50 A 8.24 4.05 1.62 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 51 Y 8.18 3.31 0.00 2.44 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 52 L 7.85 3.95 0.00 1.65 1.66 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.01 4.29 0.00 1.84 1.94 0.00 3.43 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 54 Q 7.30 3.93 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 55 E 8.56 4.60 0.00 2.00 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 2.27 2.30 0.00 56 G 8.46 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 57 E 8.60 3.58 0.00 1.90 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 1.65 1.47 0.00 58 Y 7.05 4.51 0.00 2.98 2.52 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 59 A 7.98 3.97 1.29 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 0.00 0.00 60 N 7.86 4.64 0.00 2.68 2.81 0.00 0.00 6.84 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 61 A 7.78 3.90 0.66 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 62 S 8.39 4.24 0.00 3.97 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 63 R 8.25 3.90 0.00 1.74 1.84 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.54 0.00 2.24 2.03 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 65 D 8.76 4.68 0.00 2.60 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 66 L 7.72 4.73 0.00 1.69 1.40 0.56 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.69 4.95 1.91 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 1.40 0.71 0.91 0.00 0.00 68 L 8.81 4.80 0.00 1.40 1.43 0.82 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.48 4.89 0.00 1.57 1.37 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *71 L 8.47 4.16 0.00 1.74 1.73 1.02 0.47 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 72 N 7.84 4.83 0.00 2.67 2.73 0.00 0.00 6.87 7.78 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 73 L 7.44 4.71 0.00 1.79 1.52 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.17 1.95 0.00 3.79 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 2.09 2.08 0.00 75 K 8.81 4.19 0.00 1.93 1.98 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 76 K 7.33 4.47 0.00 1.72 1.56 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.56 7.81 77 D 8.62 4.94 0.00 3.21 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 78 G 9.21 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 79 R 8.05 3.99 0.00 1.83 1.96 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 80 E 8.88 4.20 0.00 2.24 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 2.42 0.00 81 V 7.82 3.58 2.19 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 1.08 0.00 0.00 0.95 0.00 0.00 82 L 8.52 3.86 0.00 1.75 1.85 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.88 3.97 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 84 E 8.10 4.03 0.00 2.06 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 2.36 0.00 85 I 7.95 3.88 1.98 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 1.52 1.08 0.90 0.00 0.00 86 K 8.05 4.25 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.61 7.81 87 S 7.36 4.51 0.00 4.07 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 88 D 7.75 4.49 0.00 2.90 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 89 P 0.00 4.25 0.00 2.07 2.12 0.00 3.70 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 2.03 2.09 0.00 90 T 8.08 4.33 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 1.30 0.00 0.00 91 L 8.01 4.22 0.00 1.89 1.67 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.75 4.06 0.00 1.95 2.17 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.41 7.81 93 R 7.81 4.16 0.00 1.82 2.03 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 94 I 7.49 3.86 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.88 0.00 0.00 95 P 0.00 4.51 0.00 1.90 1.85 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 96 V 9.11 4.49 1.97 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 0.81 0.00 0.00 0.93 0.00 0.00 97 V 8.63 4.34 1.75 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 0.74 0.00 0.00 0.09 0.00 0.00 98 V 8.36 4.02 1.69 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 0.02 0.00 0.00 0.76 0.00 0.00 99 L 8.45 5.00 0.00 1.47 1.37 0.90 1.06 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 0.00 100 S 8.71 4.73 0.00 3.68 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 0.00 101 T 8.58 3.87 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 1.20 0.00 0.00 102 S 8.18 4.18 0.00 3.92 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 0.00 103 I 8.24 4.51 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 1.30 0.93 0.91 0.00 0.00 104 N 8.30 4.49 0.00 2.81 2.94 0.00 0.00 7.31 7.75 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 0.00 105 E 8.93 4.02 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 2.32 1.98 0.00 106 D 8.95 4.65 0.00 2.75 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 0.00 107 D 8.26 4.46 0.00 3.02 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 0.00 108 I 7.56 2.90 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.88 0.82 0.00 0.00 109 F 8.24 4.00 0.00 3.19 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 0.00 110 H 8.77 4.30 0.00 3.52 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.28 4.07 0.00 4.11 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 0.00 112 Y 7.79 3.96 0.00 2.96 2.85 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 0.00 113 D 7.89 4.14 0.00 2.32 2.68 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 0.00 114 L 7.50 4.23 0.00 1.71 1.62 0.77 0.96 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 0.00 115 H 7.98 4.27 0.00 3.33 3.51 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.43 3.74 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 0.16 0.00 0.00 0.86 0.00 0.00 117 N 8.34 4.70 0.00 2.62 3.15 0.00 0.00 6.69 8.05 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 0.00 118 C 7.64 4.93 0.00 3.30 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 0.00 119 Y 8.78 4.94 0.00 2.50 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 0.00 120 I 8.75 4.91 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.93 0.00 0.00 121 T 8.61 4.91 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 1.52 0.00 0.00 122 K 9.05 4.16 0.00 1.62 1.79 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.41 7.81 123 S 8.73 4.31 0.00 4.07 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 0.00 124 A 8.44 4.10 1.29 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 0.00 0.00 125 N 7.94 4.71 0.00 2.78 2.73 0.00 0.00 7.21 6.66 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 0.00 126 L 8.65 4.00 0.00 1.73 1.76 0.92 0.95 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 0.00 127 S 8.15 4.27 0.00 4.05 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 0.00 128 Q 8.67 4.03 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 129 L 8.22 3.95 0.00 1.78 1.92 0.92 1.18 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 0.00 130 F 8.76 4.00 0.00 3.27 3.24 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 0.00 131 Q 8.40 4.17 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 132 I 7.91 3.74 2.06 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 1.43 0.80 0.92 0.00 0.00 133 V 7.97 3.53 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 0.97 0.00 0.00 0.92 0.00 0.00 134 K 7.95 3.99 0.00 2.01 1.84 0.00 1.55 0.00 0.00 1.31 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.60 7.81 135 G 8.12 3.63 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 0.00 136 I 8.01 4.03 2.10 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 0.97 0.00 0.00 137 E 8.57 4.03 0.00 2.09 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 2.33 2.52 0.00 138 E 8.40 4.02 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 2.25 2.20 0.00 139 F 8.44 4.10 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 0.00 140 W 8.40 4.06 0.00 3.49 3.33 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 0.00 141 L 8.21 4.50 0.00 1.76 1.64 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.65 4.46 0.00 3.77 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 0.00 143 T 7.78 3.76 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 1.01 0.00 0.00 144 A 7.22 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.95 4.40 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 0.00 146 L 8.24 4.43 0.00 1.66 1.64 1.02 1.36 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 0.00 147 P 0.00 4.28 0.00 2.18 2.07 0.00 3.97 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 2.00 2.20 0.00 148 S 8.59 4.10 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.