NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7456 8.4244 118.1347 53.2488 40.0458 172.7814 3 E 4.6643 8.5214 119.7453 53.7255 31.7466 173.1244 4 Y 4.8386 8.5871 124.2090 55.6760 42.6265 173.2311 5 F 4.8385 8.1841 128.5985 56.0437 41.1440 174.4053 6 F 3.3716 7.9573 131.2798 60.4264 39.3263 173.9386 7 P 3.8222 0.0000 0.0000 62.3448 31.8496 175.5130 8 K 4.5601 8.5359 122.6649 54.4470 34.7476 175.3548 9 L 3.8075 8.5306 127.1350 54.9769 41.8425 176.1511 10 T 4.4356 8.4811 116.6061 61.7878 70.5395 174.4424 11 A 4.5268 7.0179 122.0165 50.8773 22.5057 175.4144 12 V 4.7227 8.1289 120.1117 59.8138 34.6971 174.5749 13 E 4.5818 8.9932 123.9634 54.1282 32.9735 174.0928 14 A 4.3524 8.6161 129.2232 52.1980 18.9483 177.0574 15 L 4.5360 8.7875 125.7025 53.4622 44.1594 175.9973 16 A 4.0303 8.5705 122.0522 52.5870 18.7670 175.6783 17 P 3.3861 0.0000 0.0000 63.1089 32.2029 176.5639 18 Y 3.6351 8.1894 120.1373 56.7752 38.6355 174.9064 19 R 5.2521 8.3898 121.0119 55.1019 32.7585 175.6497 20 L 5.4043 9.2116 125.2408 53.0203 45.6953 175.0766 21 R 5.1882 9.1309 122.3903 54.7873 32.6228 174.6413 22 T 4.9322 9.3456 116.6672 60.1381 71.8497 172.9533 23 T 5.1400 8.7131 121.4633 61.5749 71.8581 173.2275 24 W 5.4776 8.7883 124.2939 54.5248 33.0656 176.7977 25 S 4.2435 9.2311 117.5372 60.6705 62.3315 175.3895 26 T 4.1793 7.9332 110.2373 62.4298 69.0890 175.3666 27 G 4.0831 8.2923 111.2610 45.3187 0.0000 173.9749 28 E 4.2507 8.0794 119.3920 56.4447 30.8251 176.3834 29 V 4.7159 8.5029 122.7547 61.3385 33.9263 174.4698 30 L 4.9580 9.5122 128.3372 53.0572 45.1212 175.9108 31 E 5.3038 8.8176 122.2289 55.3242 32.0095 175.7410 32 V 4.6845 8.4868 120.1191 60.8395 35.2175 172.1799 33 D 5.2088 9.7495 124.7701 53.3755 42.2033 176.3876 34 V 4.3379 8.8404 117.4539 60.9530 33.0409 177.7952 35 G 3.3702 8.5400 109.0010 47.8515 0.0000 175.7164 36 D 4.2245 7.8060 119.8054 57.0219 41.2727 178.3406 37 I 3.6345 7.3243 118.4636 63.9009 37.8973 177.4811 38 L 3.9880 7.8303 119.8526 58.1817 41.2653 179.9298 39 R 3.8685 7.6609 116.1679 58.3606 30.0196 178.2471 40 K 4.5668 7.5366 115.8570 55.5371 32.8965 176.4957 41 I 4.3739 7.2573 121.3390 58.4551 38.4995 174.0272 42 P 4.2829 0.0000 0.0000 65.9567 30.9160 178.2114 43 D 4.4573 8.1166 115.8072 56.6799 41.0098 177.6023 44 L 4.4006 8.1540 118.2138 54.5918 41.7970 178.0271 45 A 3.9473 7.7882 122.8910 54.9849 18.0820 178.2174 46 P 4.2497 0.0000 0.0000 65.7014 31.1287 178.6361 47 I 3.8541 7.7097 117.5994 63.6295 36.9777 177.8855 48 L 4.1430 7.7694 119.2701 55.8068 41.6854 176.9111 49 D 4.5257 7.6075 120.2341 53.3903 41.6515 175.0979 50 P 4.3336 0.0000 0.0000 65.8144 31.0255 178.5766 51 E 4.0628 8.0909 116.5397 59.2133 29.7292 178.8465 52 A 4.2476 8.0694 120.4270 55.1512 18.5658 179.1271 53 F 4.2313 8.7939 119.4085 61.5362 39.2724 177.0983 54 A 4.0899 7.9925 119.8231 54.6785 18.3011 177.9302 55 R 4.4505 7.8101 114.2785 55.8808 30.1569 176.8572 56 V 3.0044 6.8099 118.2406 62.5917 31.6653 174.8871 57 H 4.5551 8.1270 117.9251 54.7232 32.5726 171.9385 58 I 4.3615 8.0143 119.3465 60.0680 37.9486 176.2925 59 A 4.0546 8.7492 129.8974 51.8491 19.4257 176.5261 60 E 4.0089 8.8998 123.0203 57.3985 30.2284 175.7010 61 W 3.8531 9.1304 135.0000 58.7840 30.3332 174.8525 62 E 2.8736 8.1414 116.7123 57.0383 29.1800 177.6539 63 G 3.7588 7.9071 105.8360 44.5938 0.0000 173.1259 64 S 4.3700 7.7292 114.7606 57.6161 65.2986 173.2142 65 V 4.0204 8.4882 120.6242 62.2849 32.1943 174.4295 66 E 4.8497 8.5501 128.2269 54.5958 32.9582 174.3574 67 W 4.1146 9.5481 122.2571 57.7439 31.6839 176.4646 68 F 4.8397 8.5626 114.0375 58.8278 40.0791 176.2057 69 D 4.4978 9.6863 122.4821 54.0839 42.1863 175.0653 70 T 4.0807 9.5462 121.5654 61.7087 68.4607 173.7757 71 E 3.9618 8.1403 123.7947 59.6248 30.2991 178.0607 72 F 5.2196 8.0207 117.9048 54.7822 41.8029 175.0543 73 G 3.9030 8.8220 112.6717 44.8932 0.0000 174.2867 74 R 4.0505 8.5149 121.1917 59.0975 29.4374 178.9940 75 D 3.3700 7.4587 119.3116 55.7888 39.2737 178.1831 76 N 4.3220 7.4822 118.8725 55.1414 38.5358 177.3183 77 V 2.8533 7.0597 119.4669 65.7670 31.5768 177.2479 78 Y 3.6522 8.1910 119.2770 60.6361 38.4916 177.8802 79 A 3.9829 7.8600 121.4496 55.2763 18.3739 179.7134 80 W 4.2931 8.0852 117.1634 59.7206 28.8101 178.7095 81 A 4.0362 8.1587 120.8543 55.0063 17.8548 179.8062 82 K 3.7821 7.8636 116.9156 59.6628 32.0848 179.3632 83 E 4.1556 8.2947 120.3780 59.0937 29.2141 179.5902 84 Q 4.0174 8.3897 116.5692 58.0334 28.7854 177.5240 85 A 4.4784 7.3822 119.9185 51.3976 18.9844 177.6900 86 G 3.7941 7.9295 105.7856 46.1656 0.0000 173.8258 87 E 4.4419 7.8475 119.1136 54.2166 31.2879 175.4475 88 V 3.4122 7.9162 120.9221 62.2418 32.0323 176.1067 89 S 4.5827 8.0335 122.0137 57.1433 64.6002 173.9165 90 H 4.4273 8.8376 116.7126 58.8603 28.5594 177.5131 91 E 4.2404 7.2759 119.2506 56.5751 28.9735 178.6458 *93 F 4.9810 8.3627 122.5201 58.4032 41.1102 177.1259 94 G 3.8636 8.8487 108.4456 48.7745 0.0000 174.4730 95 D 4.5500 9.0127 120.6440 57.1146 40.5990 179.1355 96 W 4.3642 8.0896 124.7327 58.6508 30.4665 176.8436 *98 H 4.6095 8.3398 117.3804 55.6875 30.6637 175.5109 99 R 3.9630 8.2886 113.9210 58.1926 29.3966 176.8105 100 N 4.7216 7.4859 113.8593 52.0915 38.8096 174.1556 101 N 4.0906 7.7488 114.5245 54.0096 36.9147 174.3063 102 L 4.2059 7.5551 115.9496 53.9824 43.0869 177.5452 103 S 4.6725 8.4705 118.1626 56.5759 66.5296 175.0969 104 L 4.0331 8.3985 120.5422 58.5547 41.1445 179.8319 105 T 3.8771 7.8759 114.9392 67.0694 68.5080 176.7341 106 T 4.0417 7.8593 110.9563 64.5155 68.8742 176.5877 107 A 3.7599 8.4181 123.9915 54.7592 18.4374 179.3887 108 A 4.0175 8.1564 119.2995 55.4268 18.2774 179.6791 109 E 3.9148 8.1528 115.5844 59.4168 29.6201 178.9485 110 A 4.0713 7.9521 119.9288 55.2872 18.4287 179.2412 111 L 4.3143 7.9126 114.5579 54.3669 42.5279 176.8629 112 G 3.8155 8.2796 106.7203 46.6982 0.0000 172.5275 113 I 4.7174 7.4615 110.6889 58.2702 41.2165 174.6951 114 S 4.4660 8.2823 114.5996 57.6247 63.9725 174.5554 115 R 4.0519 8.5445 120.6356 59.5944 30.1024 179.6494 116 R 4.0376 7.4383 114.9084 57.2316 29.7198 178.0928 *118 V 4.2815 7.9253 116.8882 62.6855 33.4285 177.2727 119 S 4.2249 8.3213 113.7015 61.7925 62.0553 175.6520 120 Y 3.7835 8.3809 119.5888 61.2743 37.4285 178.4538 121 Y 4.2015 7.5128 116.9994 61.0972 37.7624 178.2514 122 R 4.3539 8.3160 118.9301 59.2030 30.4545 177.6538 123 T 4.5750 8.3670 108.2684 59.8156 68.9364 174.7943 124 A 3.8683 7.5366 122.9504 53.8286 16.5346 178.6083 125 H 3.9595 8.2774 121.3943 58.9658 30.1685 175.6625 126 K 4.7285 7.6524 117.2785 53.9362 35.6703 175.9922 127 I 3.8486 8.3551 116.4345 60.9100 38.1888 175.5564 128 I 3.5842 7.9670 123.9971 59.4709 37.6436 174.8356 129 P 4.3831 0.0000 0.0000 61.8431 33.2194 177.0652 130 R 3.9350 8.6145 120.6605 60.3880 29.8774 178.7828 131 T 3.8507 7.9593 114.5582 66.8015 68.3284 176.4481 132 I 3.6512 7.5460 120.9838 64.0844 37.2586 178.0750 133 W 4.2351 7.9376 128.7067 60.4897 30.4670 177.8431 134 L 3.7596 8.1663 118.8000 57.7008 40.9520 179.3558 135 A 3.9427 7.9544 120.5506 55.2271 18.3114 179.2961 136 C 3.1685 7.6694 115.2885 62.8004 27.9826 176.5551 137 L 3.9178 7.1118 120.3929 57.4913 40.6001 179.8576 138 G 3.5632 8.3667 106.2585 47.4337 0.0000 175.5706 139 W 4.1853 8.6180 131.2709 60.3927 30.5556 177.9258 140 E 3.6880 8.5995 117.1959 59.3083 28.9696 178.8753 141 A 4.1396 7.8079 119.9226 53.9533 18.5586 178.0960 142 T 4.0756 7.0910 105.3035 61.8129 71.1111 175.4238 143 R 2.5100 7.7783 117.8415 55.8484 27.1607 173.4862 144 P 4.2435 0.0000 0.0000 62.9210 32.1125 177.4776 145 E 4.1428 8.6963 121.3717 57.4691 29.9725 175.6725 146 T 4.6777 7.3982 112.1732 59.2793 70.2758 173.6854 147 K 4.1968 8.5230 122.5763 59.3909 32.8986 177.7226 148 T 4.1848 7.6386 110.1092 61.0185 69.5146 174.0801 149 L 4.5817 8.1948 124.9703 52.5857 43.3909 174.6898 150 P 4.5828 0.0000 0.0000 62.3712 32.2267 176.7964 151 R 4.0942 8.3871 118.1166 58.6067 30.2862 176.3781 152 T 4.6958 7.2790 105.6134 59.6153 72.0079 173.0713 153 L 4.2311 8.1147 121.1083 53.6875 42.2803 175.6177 154 P 4.4075 0.0000 0.0000 62.0033 32.0870 176.6891 155 A 4.1463 8.3523 121.7197 52.6732 18.2746 177.7056 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 N 8.42 4.75 0.00 2.77 2.88 0.00 0.00 6.69 6.78 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 3 E 8.52 4.66 0.00 2.04 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 2.27 2.48 0.00 4 Y 8.59 4.84 0.00 2.96 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 5 F 8.18 4.84 0.00 2.73 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 6 F 7.96 3.37 0.00 2.51 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.82 0.00 0.98 1.44 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.50 0.00 8 K 8.54 4.56 0.00 1.55 1.58 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.50 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.06 7.81 9 L 8.53 3.81 0.00 1.13 1.31 -0.20 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.48 4.44 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 1.19 0.00 0.00 11 A 7.02 4.53 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 12 V 8.13 4.72 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 0.46 0.00 0.00 0.73 0.00 0.00 13 E 8.99 4.58 0.00 1.95 1.74 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 2.19 2.21 0.00 14 A 8.62 4.35 1.02 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 0.00 0.00 15 L 8.79 4.54 0.00 1.84 1.73 0.98 0.73 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 16 A 8.57 4.03 1.24 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 0.00 0.00 17 P 0.00 3.39 0.00 0.93 0.49 0.00 3.43 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 18 Y 8.19 3.64 0.00 2.96 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.39 5.25 0.00 1.95 1.88 0.00 3.09 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 20 L 9.21 5.40 0.00 1.76 1.59 1.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.13 5.19 0.00 1.85 1.77 0.00 3.13 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 22 T 9.35 4.93 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 1.26 0.00 0.00 23 T 8.71 5.14 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 1.25 0.00 0.00 24 W 8.79 5.48 0.00 3.35 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 25 S 9.23 4.24 0.00 3.81 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 26 T 7.93 4.18 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 1.29 0.00 0.00 27 G 8.29 4.08 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 0.00 0.00 0.00 28 E 8.08 4.25 0.00 2.17 1.98 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 2.38 2.35 0.00 29 V 8.50 4.72 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 0.86 0.00 0.00 0.98 0.00 0.00 30 L 9.51 4.96 0.00 1.76 1.53 0.38 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.82 5.30 0.00 1.90 1.93 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 2.30 2.34 0.00 32 V 8.49 4.68 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 0.97 0.00 0.00 1.16 0.00 0.00 33 D 9.75 5.21 0.00 2.71 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 34 V 8.84 4.34 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 1.09 0.00 0.00 1.51 0.00 0.00 35 G 8.54 3.37 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 0.00 36 D 7.81 4.22 0.00 2.49 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.32 3.63 1.24 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.46 0.00 0.00 38 L 7.83 3.99 0.00 1.62 1.49 0.70 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.66 3.87 0.00 1.85 1.90 0.00 3.06 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 40 K 7.54 4.57 0.00 1.80 1.80 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.56 7.81 41 I 7.26 4.37 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.94 0.00 0.00 42 P 0.00 4.28 0.00 2.14 2.11 0.00 3.60 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 2.11 2.18 0.00 43 D 8.12 4.46 0.00 2.63 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 44 L 8.15 4.40 0.00 1.85 1.57 0.91 0.70 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 45 A 7.79 3.95 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 46 P 0.00 4.25 0.00 2.21 2.07 0.00 3.62 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 1.99 2.12 0.00 47 I 7.71 3.85 1.69 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 0.65 -0.21 0.00 0.00 48 L 7.77 4.14 0.00 1.73 1.71 0.80 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.61 4.53 0.00 2.74 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 50 P 0.00 4.33 0.00 2.22 2.07 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 51 E 8.09 4.06 0.00 2.01 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 2.40 2.38 0.00 52 A 8.07 4.25 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.79 4.23 0.00 3.49 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.45 0.00 1.92 1.91 0.00 3.20 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 56 V 6.81 3.00 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 0.33 0.00 0.00 -0.25 0.00 0.00 57 H 8.13 4.56 0.00 3.02 3.25 0.00 5.25 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.01 4.36 1.75 0.00 0.00 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 1.04 0.36 0.82 0.00 0.00 59 A 8.75 4.05 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 60 E 8.90 4.01 0.00 1.97 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 0.00 2.42 2.37 0.00 61 W 9.13 3.85 0.00 3.42 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 62 E 8.14 2.87 0.00 2.13 1.94 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 1.96 2.29 0.00 63 G 7.91 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 0.00 0.00 0.00 64 S 7.73 4.37 0.00 4.07 4.05 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 65 V 8.49 4.02 2.15 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 0.47 0.00 0.00 0.83 0.00 0.00 66 E 8.55 4.85 0.00 1.86 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 2.04 2.50 0.00 67 W 9.55 4.11 0.00 3.06 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 68 F 8.56 4.84 0.00 3.19 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 69 D 9.69 4.50 0.00 2.62 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 70 T 9.55 4.08 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 1.38 0.00 0.00 71 E 8.14 3.96 0.00 1.85 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 2.23 2.35 0.00 72 F 8.02 5.22 0.00 3.25 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 73 G 8.82 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 0.00 0.00 0.00 74 R 8.51 4.05 0.00 2.26 2.18 0.00 3.07 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 75 D 7.46 3.37 0.00 1.97 1.56 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 76 N 7.48 4.32 0.00 2.12 2.20 0.00 0.00 7.24 7.68 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 77 V 7.06 2.85 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 1.20 0.00 0.00 0.83 0.00 0.00 78 Y 8.19 3.65 0.00 2.60 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 79 A 7.86 3.98 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 80 W 8.09 4.29 0.00 3.50 3.07 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 81 A 8.16 4.04 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 82 K 7.86 3.78 0.00 1.80 1.73 0.00 1.65 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.38 7.81 83 E 8.29 4.16 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.84 0.00 *93 F 8.36 4.98 0.00 3.14 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 94 G 8.85 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 95 D 9.01 4.55 0.00 2.87 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 96 W 8.09 4.36 0.00 3.82 3.53 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 *98 H 8.34 4.61 0.00 3.33 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.29 3.96 0.00 1.96 2.11 0.00 3.18 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.62 0.00 100 N 7.49 4.72 0.00 2.38 2.89 0.00 0.00 7.11 7.88 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 0.00 101 N 7.75 4.09 0.00 2.74 2.81 0.00 0.00 6.89 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 0.00 102 L 7.56 4.21 0.00 1.20 1.24 -0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.47 4.67 0.00 4.01 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 0.00 104 L 8.40 4.03 0.00 1.74 1.83 0.97 0.78 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 0.00 105 T 7.88 3.88 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 1.27 0.00 0.00 106 T 7.86 4.04 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 1.20 0.00 0.00 107 A 8.42 3.76 1.40 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 0.00 0.00 108 A 8.16 4.02 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 0.00 109 E 8.15 3.91 0.00 2.08 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 0.00 2.37 2.42 0.00 110 A 7.95 4.07 0.44 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 0.00 0.00 111 L 7.91 4.31 0.00 1.73 1.78 1.14 0.63 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 0.00 112 G 8.28 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 0.00 113 I 7.46 4.72 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 1.00 0.00 0.00 114 S 8.28 4.47 0.00 3.96 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 0.00 115 R 8.54 4.05 0.00 1.91 2.05 0.00 3.14 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 116 R 7.44 4.04 0.00 1.96 1.76 0.00 2.97 0.00 0.00 2.77 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.56 0.00 *118 V 7.93 4.28 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 1.35 0.00 0.00 1.27 0.00 0.00 119 S 8.32 4.22 0.00 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 0.00 120 Y 8.38 3.78 0.00 2.59 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 0.00 121 Y 7.51 4.20 0.00 2.44 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 0.00 0.00 0.00 122 R 8.32 4.35 0.00 2.38 2.33 0.00 3.40 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 123 T 8.37 4.57 4.33 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 1.46 0.00 0.00 124 A 7.54 3.87 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 0.00 125 H 8.28 3.96 0.00 2.51 2.51 0.00 5.70 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 0.00 126 K 7.65 4.73 0.00 1.78 1.74 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.79 7.81 127 I 8.36 3.85 1.86 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 1.43 0.43 0.94 0.00 0.00 128 I 7.97 3.58 1.63 0.00 0.00 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 0.79 0.43 0.44 0.00 0.00 129 P 0.00 4.38 0.00 2.10 1.94 0.00 3.14 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 2.10 2.15 0.00 130 R 8.61 3.94 0.00 1.88 1.96 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 131 T 7.96 3.85 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 1.20 0.00 0.00 132 I 7.55 3.65 1.72 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.69 0.00 0.00 133 W 7.94 4.24 0.00 3.31 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 0.00 134 L 8.17 3.76 0.00 1.84 1.64 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.95 3.94 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 0.00 136 C 7.67 3.17 0.00 1.61 1.18 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 0.00 0.00 0.00 0.00 137 L 7.11 3.92 0.00 1.51 1.51 0.76 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.37 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 0.00 139 W 8.62 4.19 0.00 3.55 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 3.69 0.00 2.39 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 2.64 3.15 0.00 141 A 7.81 4.14 1.31 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 0.00 0.00 142 T 7.09 4.08 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 1.19 0.00 0.00 143 R 7.78 2.51 0.00 1.49 1.69 0.00 2.89 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 144 P 0.00 4.24 0.00 2.48 2.05 0.00 3.08 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 145 E 8.70 4.14 0.00 1.96 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 2.24 2.20 0.00 146 T 7.40 4.68 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 1.25 0.00 0.00 147 K 8.52 4.20 0.00 1.93 1.97 0.00 1.54 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.51 7.81 148 T 7.64 4.18 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 1.22 0.00 0.00 149 L 8.19 4.58 0.00 1.67 1.64 0.98 1.16 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 0.00 150 P 0.00 4.58 0.00 2.32 2.03 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 151 R 8.39 4.09 0.00 1.82 2.03 0.00 3.16 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 152 T 7.28 4.70 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 1.20 0.00 0.00 153 L 8.11 4.23 0.00 1.64 1.61 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.41 0.00 2.00 1.94 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 155 A 8.35 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.