NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3809 8.1233 123.5835 52.2959 20.9545 179.0481 3 D 4.2728 8.0364 115.6707 56.5060 40.7554 176.9037 4 L 4.0148 8.7026 121.8551 58.3190 42.7207 178.7386 5 T 3.8790 7.8346 115.3037 66.9366 68.5582 176.0050 6 H 4.4055 8.4251 120.2459 59.3786 29.8820 176.9468 7 E 4.0591 8.6827 121.3497 58.9339 29.3479 178.4871 8 F 4.0758 8.4269 120.8574 61.2769 39.3106 177.2065 9 W 4.0880 8.1680 118.0610 59.6526 28.5927 178.1056 10 D 4.4228 7.9769 117.2099 57.5221 40.7569 178.2165 11 R 4.0872 7.9861 118.3793 58.6341 30.1617 178.5887 12 L 3.7302 7.8469 120.5860 57.9062 41.6752 178.4853 13 E 4.0542 7.5416 118.5829 58.0380 29.5617 177.5576 14 D 4.8675 7.4234 115.7360 52.8177 41.4133 176.3843 15 V 4.0202 7.2345 123.0092 62.2543 31.5524 176.7686 16 R 4.1963 8.6504 126.6260 58.5610 29.7660 172.9353 17 S 4.9767 7.6816 111.1438 57.3095 67.9618 174.4752 18 G 3.5775 7.8881 114.5508 45.1366 0.0000 174.2906 *20 L 4.2780 8.4975 126.4839 54.8980 43.4165 174.6557 21 G 4.2837 8.0999 108.3985 45.8175 0.0000 172.2787 22 I 4.6636 7.7697 122.0175 59.5953 38.9355 175.8894 23 K 3.9684 8.6210 126.9807 57.8294 32.3140 177.3913 24 G 3.8481 9.0350 110.5412 45.9822 0.0000 173.4552 25 Q 4.2076 7.5263 117.8407 54.2592 31.1274 176.1098 26 G 3.7938 8.5383 114.9766 45.5007 0.0000 171.0525 27 R 4.6354 8.1533 118.4518 53.8206 33.1575 175.3139 28 L 4.5392 8.1503 119.1438 54.9310 42.1959 176.8653 29 I 4.7937 8.1877 115.3916 58.1477 40.6482 173.3891 30 P 4.8801 0.0000 0.0000 62.4485 32.4921 176.4118 *32 S 4.5574 8.6909 115.3004 57.7238 62.8065 171.8110 33 P 3.7288 0.0000 0.0000 62.3222 32.2617 175.7848 34 Q 4.6760 8.3940 121.7781 54.2269 31.5799 174.6148 35 T 4.9448 8.2248 114.9421 61.3133 72.7185 173.3844 36 D 4.6619 8.7205 120.7741 53.8887 44.1210 173.7804 37 D 4.2458 8.1478 115.0424 54.0672 41.2050 171.4887 *40 P 3.7285 0.0000 0.0000 62.7023 32.4443 175.8872 41 G 4.1641 6.1195 113.5026 46.0715 0.0000 172.5883 42 A 4.9582 7.0547 120.0878 49.7735 22.9250 174.8209 43 I 4.3691 8.8776 120.1486 59.3978 39.4977 175.0802 44 W 5.0084 8.3864 126.6091 54.8548 31.9830 174.9813 45 F 5.1653 9.1848 121.0518 55.8700 43.0799 173.5767 46 I 4.9731 8.5481 122.7248 60.1377 38.9527 174.7459 47 T 4.8693 8.8029 120.1894 60.7675 71.3198 172.0837 48 A 5.0733 8.6944 125.0413 51.3318 19.4865 179.1277 49 K 4.0182 9.1615 121.0890 59.3910 32.2843 179.1099 50 G 3.7646 8.0881 105.9736 47.1060 0.0000 174.2784 51 T 4.2027 7.4675 110.8661 61.3279 70.8602 175.2183 52 D 4.3646 8.4855 121.4559 57.4806 40.4440 179.0504 53 L 3.9355 7.8618 118.8952 57.5656 41.4470 179.2776 54 A 4.0146 7.4014 118.3430 55.2596 18.5817 179.6194 55 K 4.1914 8.1781 117.2389 59.4738 31.8539 179.9058 56 G 3.6747 8.3237 105.5706 46.8994 0.0000 175.1872 57 V 4.5604 7.5251 113.3249 60.1709 31.8073 177.7368 58 A 4.0594 7.6391 124.5756 55.2465 18.4972 179.9312 59 A 4.0596 8.2759 117.6328 54.1482 18.5890 177.1813 60 G 3.9124 6.9201 99.2188 44.8028 0.0000 169.8029 61 P 4.6393 0.0000 0.0000 62.8305 31.6650 176.4331 62 Q 4.7783 8.8535 123.2994 53.1482 32.3936 173.4040 63 P 4.7985 0.0000 0.0000 62.8887 32.6237 175.3105 64 A 5.1783 9.2380 125.0911 50.4566 23.6800 174.1439 65 Q 5.1892 9.3332 119.9027 54.4362 32.5620 174.1590 66 F 4.9338 9.0989 126.9520 56.4511 42.6473 173.1444 67 V 4.6200 7.8351 125.6055 60.8934 33.7348 174.5706 68 V 4.1229 8.7497 127.2991 61.3239 34.5283 174.7603 69 S 4.6548 8.4180 121.3554 56.9282 63.0728 170.2931 70 D 4.6827 8.5954 123.4039 51.9105 42.7379 176.0201 71 D 4.6034 8.3807 126.6086 56.7434 41.4280 178.2240 72 G 3.8198 8.2882 107.0514 48.6274 0.0000 174.2989 73 E 4.0772 8.3008 118.2899 56.0590 30.1174 176.6097 74 G 3.7271 7.8937 107.0862 46.7361 0.0000 172.6372 75 L 4.8036 7.1646 120.7790 52.9250 44.9758 174.4828 76 Y 5.1742 8.9019 123.1886 56.2261 41.6712 174.4109 77 A 4.8996 9.3046 125.4951 50.5969 23.7376 174.3867 78 D 5.0474 8.9288 121.0379 52.6530 43.6880 174.4240 79 L 5.2511 8.9686 127.0349 53.1559 44.5404 175.4896 80 D 5.2881 9.2865 123.8050 53.4513 43.0380 176.1674 81 G 3.5044 8.5263 108.3845 46.3408 0.0000 171.5531 82 T 5.0128 7.5943 117.5299 61.6477 72.2998 172.9311 83 L 5.2138 8.8215 129.0294 53.5319 44.3921 174.8796 84 E 4.9569 8.6477 122.2372 54.9613 33.4628 173.9535 85 R 4.5751 8.5483 121.9935 56.2476 30.9510 175.2303 86 S 4.9593 9.2778 121.8952 56.3033 64.5696 173.9287 87 T 4.5573 8.4454 116.5925 61.4303 69.4894 174.0265 88 D 4.6090 7.8292 121.8308 54.5113 42.1338 176.2750 89 R 3.9132 8.5071 126.8167 59.3341 30.2360 178.8328 90 E 3.8369 8.1734 117.7312 59.1947 29.5548 179.1117 91 A 3.3371 7.3964 120.4779 54.6787 18.4195 179.2282 92 L 3.9287 7.5511 118.4333 58.5916 41.9132 178.8507 93 D 4.5470 7.6860 117.6768 56.5561 41.1734 177.5162 94 E 3.8232 7.6351 119.0525 58.9435 29.7066 178.0134 95 F 4.8037 7.3027 114.0735 56.3461 39.6155 175.8150 96 W 4.4595 7.3397 128.5029 57.2514 31.2873 175.6313 97 S 4.6973 7.1096 118.0970 55.8763 66.8900 174.7319 98 F 4.0858 8.7319 122.8670 61.2335 39.1494 176.7310 99 V 3.6888 7.8056 117.4493 65.8647 31.4749 177.6786 100 A 3.9799 7.4169 120.2629 55.2422 17.9914 179.3450 101 D 4.6729 7.5826 116.7288 57.3296 40.5569 178.8491 102 A 3.8196 7.2069 120.9272 54.8049 18.3620 179.3747 103 W 4.3731 7.8821 115.8751 57.8472 29.7833 176.2716 104 F 4.8359 8.2433 119.5338 55.2585 38.5013 175.7280 105 D 4.4339 8.7421 125.9465 55.6467 39.4440 177.8490 106 G 3.8456 8.3167 107.4916 45.2225 0.0000 174.8696 107 G 3.9396 8.0422 110.0447 44.0584 0.0000 174.3473 108 Q 2.0000 7.5035 114.8220 58.2965 28.4309 177.0729 109 H 4.5849 7.4781 113.8483 55.3023 29.0356 174.4568 110 D 4.4778 7.5652 121.1440 53.4500 41.5040 175.5952 111 P 4.3219 0.0000 0.0000 66.1182 31.4791 177.2432 112 D 4.6468 8.8173 118.5428 56.4540 41.7792 177.2090 113 V 3.5664 7.4684 119.0974 62.8827 32.4792 175.2430 114 C 4.6451 8.9047 127.1155 57.7885 35.1084 172.2991 115 L 5.0267 8.7121 129.1532 54.2659 42.9745 175.0918 116 L 5.0625 9.1532 127.5206 53.4770 44.2648 175.8299 117 K 4.2916 9.0290 123.5845 54.4899 35.1726 174.4891 118 F 4.8372 9.2456 131.1782 57.0098 41.2872 174.5232 119 T 4.5113 7.9357 124.6501 61.2453 69.6624 172.8072 120 P 4.1501 0.0000 0.0000 62.6551 31.7370 176.0846 121 A 4.6113 9.1462 126.7268 53.5422 20.4789 177.0183 122 S 5.2182 7.3425 107.5393 57.5381 66.7414 172.7175 123 G 4.2455 8.5393 106.1006 45.9954 0.0000 172.0058 124 E 4.9647 8.1588 122.3935 54.7513 31.1719 174.8149 125 I 5.1060 8.7908 128.1903 59.5940 40.9230 174.7896 126 S 5.3320 9.5252 121.9932 56.8176 66.5246 173.1080 127 I 5.0249 8.6316 124.4330 59.9842 40.4754 175.0692 128 T 4.3314 8.9854 125.2509 62.3570 67.7608 174.0513 129 E 3.9808 8.5731 125.9748 57.0513 30.2616 178.5000 130 G 4.1677 8.9206 108.6058 45.6623 0.0000 173.7818 131 G 4.2334 8.0128 107.3661 45.2030 0.0000 176.5987 132 G 3.6884 8.7704 106.5401 47.3794 0.0000 175.0189 133 A 4.0606 7.9828 122.7642 55.2539 18.5651 179.5578 134 R 3.9696 8.0238 116.8314 59.3803 30.3987 178.0667 135 F 4.0844 8.2207 120.1303 61.4133 39.4547 176.8797 136 L 4.0045 8.3610 119.8603 58.2501 41.8950 178.3727 137 Y 4.0746 8.0628 119.2518 60.8703 38.8439 177.6801 138 E 3.8534 8.7353 119.8312 59.3352 29.5137 179.5632 139 I 3.4874 7.4057 119.3239 64.0664 37.0069 178.2925 140 A 4.0392 7.6491 121.1898 54.9858 18.1986 179.5808 141 K 3.6072 8.1591 118.2450 59.4114 32.1595 178.7090 142 A 4.0685 7.8252 121.0269 55.6460 17.9770 179.3288 143 H 4.2832 7.4469 112.1901 58.6696 28.9087 177.7239 144 L 4.1459 7.6312 120.4590 57.0916 41.5821 178.5430 145 T 4.3702 8.1432 107.4058 60.3862 70.0493 174.2499 146 D 4.4669 7.8573 119.9935 55.3480 39.0004 173.0476 147 E 4.6818 7.8854 116.9689 54.3498 31.7207 176.2096 148 T 4.0107 8.1750 112.5338 60.6142 69.6228 172.6968 149 P 4.2037 0.0000 0.0000 62.9539 31.9295 175.1966 150 D 4.8167 8.5587 121.1350 52.4129 43.6701 176.2133 *152 G 4.1927 7.9554 109.9408 45.8469 0.0000 171.7978 153 E 4.6873 8.3850 117.5910 55.4675 32.1178 175.3406 154 Q 5.0750 8.2433 121.9178 55.1167 32.1244 173.3709 155 A 4.5059 8.8577 126.0995 51.7076 23.5979 174.7443 156 T 4.7605 8.4302 116.1794 62.1812 69.9304 174.6685 157 V 4.3078 8.6575 126.8990 61.2178 34.7233 174.2373 158 T 4.8094 8.0968 122.7227 61.7136 70.1963 174.4572 159 F 4.4185 9.0856 124.9493 57.7418 38.6497 175.6194 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 A 8.12 4.38 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 3 D 8.04 4.27 0.00 2.81 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 4 L 8.70 4.01 0.00 1.72 1.64 0.91 0.84 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 5 T 7.83 3.88 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 1.43 0.00 0.00 6 H 8.43 4.41 0.00 3.33 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.68 4.06 0.00 2.36 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 0.00 2.37 2.42 0.00 8 F 8.43 4.08 0.00 3.15 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 9 W 8.17 4.09 0.00 3.56 3.21 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 10 D 7.98 4.42 0.00 2.81 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 11 R 7.99 4.09 0.00 1.83 1.87 0.00 3.18 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 12 L 7.85 3.73 0.00 1.00 1.48 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.54 4.05 0.00 2.24 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 0.00 2.36 2.43 0.00 14 D 7.42 4.87 0.00 2.77 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 15 V 7.23 4.02 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 0.94 0.00 0.00 0.94 0.00 0.00 16 R 8.65 4.20 0.00 1.78 1.92 0.00 3.24 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 17 S 7.68 4.98 0.00 3.79 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 18 G 7.89 3.58 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 *20 L 8.50 4.28 0.00 1.63 1.32 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.10 4.28 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 0.00 22 I 7.77 4.66 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 1.35 1.23 0.97 0.00 0.00 23 K 8.62 3.97 0.00 1.86 1.77 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.44 7.81 24 G 9.04 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 25 Q 7.53 4.21 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 26 G 8.54 3.79 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 0.00 0.00 0.00 27 R 8.15 4.64 0.00 1.76 1.82 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 28 L 8.15 4.54 0.00 1.48 1.53 0.86 0.69 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 29 I 8.19 4.79 1.81 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 1.34 0.57 0.92 0.00 0.00 30 P 0.00 4.88 0.00 2.08 2.08 0.00 3.35 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 *32 S 8.69 4.56 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.73 0.00 1.92 1.95 0.00 4.01 0.00 0.00 3.99 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 34 Q 8.39 4.68 0.00 1.29 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 35 T 8.22 4.94 4.41 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 1.41 0.00 0.00 36 D 8.72 4.66 0.00 2.66 2.45 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 37 D 8.15 4.25 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 *40 P 0.00 3.73 0.00 0.79 1.48 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 41 G 6.12 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 0.00 0.00 0.00 0.00 42 A 7.05 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.88 4.37 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.13 0.00 0.00 44 W 8.39 5.01 0.00 2.42 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 45 F 9.18 5.17 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 46 I 8.55 4.97 1.96 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 1.47 0.72 1.01 0.00 0.00 47 T 8.80 4.87 4.29 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 1.28 0.00 0.00 48 A 8.69 5.07 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 49 K 9.16 4.02 0.00 1.81 1.93 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.51 1.61 7.81 50 G 8.09 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 51 T 7.47 4.20 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 1.21 0.00 0.00 52 D 8.49 4.36 0.00 2.69 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 53 L 7.86 3.94 0.00 1.64 1.66 0.77 0.82 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 54 A 7.40 4.01 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 K 8.18 4.19 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.74 7.81 56 G 8.32 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.53 4.56 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 1.02 0.00 0.00 1.07 0.00 0.00 58 A 7.64 4.06 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 59 A 8.28 4.06 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 G 6.92 3.91 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 0.00 0.00 0.00 61 P 0.00 4.64 0.00 1.92 1.97 0.00 3.62 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 2.00 2.24 0.00 62 Q 8.85 4.78 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 63 P 0.00 4.80 0.00 2.08 1.97 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 64 A 9.24 5.18 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 65 Q 9.33 5.19 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 66 F 9.10 4.93 0.00 1.64 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 0.00 0.00 0.00 0.00 67 V 7.84 4.62 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 0.79 0.00 0.00 0.89 0.00 0.00 68 V 8.75 4.12 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 0.88 0.00 0.00 0.65 0.00 0.00 69 S 8.42 4.65 0.00 3.93 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 70 D 8.60 4.68 0.00 2.56 2.26 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 71 D 8.38 4.60 0.00 2.72 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 72 G 8.29 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 73 E 8.30 4.08 0.00 1.86 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 2.38 2.46 0.00 74 G 7.89 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 0.00 0.00 0.00 75 L 7.16 4.80 0.00 1.60 1.28 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.90 5.17 0.00 2.94 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 77 A 9.30 4.90 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 78 D 8.93 5.05 0.00 2.81 2.54 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 79 L 8.97 5.25 0.00 1.95 1.74 1.21 0.71 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 80 D 9.29 5.29 0.00 2.60 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 81 G 8.53 3.50 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 0.00 0.00 0.00 82 T 7.59 5.01 4.04 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 1.18 0.00 0.00 83 L 8.82 5.21 0.00 1.91 1.55 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.65 4.96 0.00 2.04 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 2.26 2.19 0.00 85 R 8.55 4.58 0.00 1.87 1.89 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 86 S 9.28 4.96 0.00 4.02 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 87 T 8.45 4.56 4.26 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 1.24 0.00 0.00 88 D 7.83 4.61 0.00 2.97 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 89 R 8.51 3.91 0.00 1.82 1.92 0.00 3.37 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 90 E 8.17 3.84 0.00 1.85 1.85 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 2.34 2.25 0.00 91 A 7.40 3.34 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.55 3.93 0.00 1.88 1.82 0.89 0.80 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 93 D 7.69 4.55 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 3.82 0.00 1.68 1.15 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 1.47 1.92 0.00 95 F 7.30 4.80 0.00 3.10 2.98 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 96 W 7.34 4.46 0.00 3.60 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 97 S 7.11 4.70 0.00 4.03 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 98 F 8.73 4.09 0.00 3.00 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 99 V 7.81 3.69 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 1.17 0.00 0.00 1.03 0.00 0.00 100 A 7.42 3.98 0.12 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 0.00 0.00 101 D 7.58 4.67 0.00 2.60 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 0.00 102 A 7.21 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.88 4.37 0.00 3.12 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 0.00 104 F 8.24 4.84 0.00 3.54 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 0.00 105 D 8.74 4.43 0.00 2.81 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 G 8.32 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 0.00 107 G 8.04 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.50 2.00 0.00 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.98 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 109 H 7.48 4.58 0.00 3.07 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.57 4.48 0.00 2.73 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 0.00 111 P 0.00 4.32 0.00 2.25 2.20 0.00 3.87 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 2.05 2.03 0.00 112 D 8.82 4.65 0.00 3.08 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 0.00 113 V 7.47 3.57 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 0.56 0.00 0.00 0.24 0.00 0.00 114 C 8.90 4.65 0.00 3.01 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 0.00 115 L 8.71 5.03 0.00 1.94 1.87 1.29 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.15 5.06 0.00 1.81 1.63 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 K 9.03 4.29 0.00 1.17 1.30 0.00 1.12 0.00 0.00 1.28 0.00 0.00 2.48 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.65 0.21 7.81 118 F 9.25 4.84 0.00 3.15 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 0.00 119 T 7.94 4.51 3.98 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 1.09 0.00 0.00 120 P 0.00 4.15 0.00 0.49 1.43 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.12 0.00 121 A 9.15 4.61 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 0.00 122 S 7.34 5.22 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 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 0.00 124 E 8.16 4.96 0.00 2.08 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 0.00 2.24 2.27 0.00 125 I 8.79 5.11 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 1.04 0.00 0.00 126 S 9.53 5.33 0.00 3.85 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 0.00 127 I 8.63 5.02 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.18 1.01 0.00 0.00 128 T 8.99 4.33 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 1.32 0.00 0.00 129 E 8.57 3.98 0.00 2.01 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 2.36 2.49 0.00 130 G 8.92 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 0.00 0.00 0.00 131 G 8.01 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 0.00 0.00 0.00 0.00 132 G 8.77 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 0.00 133 A 7.98 4.06 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 0.00 134 R 8.02 3.97 0.00 1.96 2.05 0.00 3.26 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 135 F 8.22 4.08 0.00 3.34 3.28 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 0.00 136 L 8.36 4.00 0.00 2.06 1.95 0.98 0.77 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 0.00 137 Y 8.06 4.07 0.00 3.14 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 0.00 138 E 8.74 3.85 0.00 1.81 1.85 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 2.63 2.54 0.00 139 I 7.41 3.49 1.64 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.82 0.00 0.00 140 A 7.65 4.04 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 0.00 141 K 8.16 3.61 0.00 1.02 1.57 0.00 1.44 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.24 7.81 142 A 7.83 4.07 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 0.00 143 H 7.45 4.28 0.00 3.16 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.63 4.15 0.00 1.65 1.69 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.14 4.37 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 1.16 0.00 0.00 146 D 7.86 4.47 0.00 2.84 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 0.00 147 E 7.89 4.68 0.00 1.88 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 2.20 2.40 0.00 148 T 8.18 4.01 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 0.00 149 P 0.00 4.20 0.00 2.00 1.91 0.00 3.58 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 150 D 8.56 4.82 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.39 4.69 0.00 2.01 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 2.36 2.37 0.00 154 Q 8.24 5.07 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 155 A 8.86 4.51 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 0.00 0.00 156 T 8.43 4.76 4.22 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 1.24 0.00 0.00 157 V 8.66 4.31 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 0.39 0.00 0.00 0.75 0.00 0.00 158 T 8.10 4.81 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 1.29 0.00 0.00 159 F 9.09 4.42 0.00 3.18 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 * Residues marked with a * may have inaccurate shift predictions.