NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.4728 8.3033 117.8224 54.5544 30.8224 172.8639 1C H 3.5624 8.4198 115.3766 57.2594 25.8624 172.5601 1D H 4.1973 9.1162 112.4890 57.1458 27.3652 174.3692 1E H 5.0661 7.7679 112.7886 53.7956 32.5538 173.4626 1F H 4.6291 8.8871 117.0607 55.9373 29.0185 174.5474 1G F 4.9805 8.5240 120.4818 57.8747 39.9961 174.9443 2 N 4.5490 8.5860 117.5774 52.4950 38.6754 174.7168 3 L 4.7300 8.0602 123.4399 52.3681 43.8983 174.3086 4 P 4.7780 0.0000 0.0000 60.5854 33.1738 173.5804 5 P 4.4431 0.0000 0.0000 61.5556 32.3198 175.3970 6 G 4.1568 7.7135 111.5314 44.5756 0.0000 171.7516 7 N 4.4896 7.7422 119.4273 51.4452 39.4496 174.2003 8 Y 4.9206 7.9661 111.8933 57.5687 39.7206 177.1352 9 K 4.1312 8.3753 120.1082 59.1762 32.3537 177.2698 10 K 4.5719 7.6179 116.5121 53.7896 33.8666 174.6258 11 P 4.6647 0.0000 0.0000 63.4300 32.2352 174.8734 12 K 4.9628 9.3613 119.4225 55.0324 37.4884 174.8436 13 L 4.9949 9.0265 120.2234 53.2756 45.2816 176.4323 14 L 4.9861 8.7666 124.0873 53.7908 42.7659 174.5295 15 Y 4.5546 8.9537 126.7014 56.7132 38.6646 174.3568 16 C 4.0761 7.6766 126.4411 58.1600 33.1196 174.2909 17 S 4.1511 7.7610 119.1262 61.2985 62.5126 175.9445 18 N 4.1471 7.4299 116.0833 55.9035 38.4014 176.8810 16 G 3.4861 7.6866 116.6411 45.0600 0.0000 174.5909 17 H 4.4111 7.8710 121.6262 57.9985 27.7126 175.4445 18 F 4.0271 7.3299 117.6833 60.5035 39.1013 177.4810 23 L 4.5189 8.7504 125.2392 55.2003 43.3872 175.6532 24 R 4.9987 9.1405 125.5724 54.6536 33.9873 173.9560 25 I 4.7271 8.2191 124.9792 59.5548 39.9595 175.5915 26 L 4.2180 8.7804 127.8182 53.1477 42.6706 176.6535 27 P 4.2612 0.0000 0.0000 65.9286 31.1895 178.0741 28 D 4.3780 7.9547 115.0721 54.6501 39.4824 176.8914 29 G 4.1644 8.2225 108.5518 45.1871 0.0000 173.5391 30 T 4.3336 8.0330 117.1305 63.0263 69.2557 173.5558 31 V 4.8287 7.9808 124.9323 61.2048 34.2226 174.3413 32 D 4.5900 8.3592 124.7001 53.0637 42.7325 174.1623 33 G 5.2646 9.2467 105.5403 45.5240 0.0000 172.7965 34 T 4.9511 8.3768 114.6425 60.6556 70.1500 174.0321 35 R 4.2435 8.9030 125.9419 57.2707 31.1338 176.0502 36 D 4.5834 8.1432 119.2277 53.0798 40.6293 176.7809 37 R 3.6505 8.5300 128.0839 58.4957 30.3199 177.5033 38 S 4.2302 8.0415 111.4244 59.8722 63.5396 174.1968 39 D 4.4270 7.4388 120.3755 55.1414 41.2631 176.1499 40 Q 4.7554 8.2737 122.6558 56.0426 29.6297 176.1195 41 H 4.9277 8.4850 111.0454 55.7746 31.1894 174.7612 42 I 4.5938 7.6981 110.1117 59.8228 37.8009 174.8982 43 Q 4.5259 7.8658 120.7002 55.3428 29.3153 174.9748 44 L 4.9691 8.9023 124.5520 52.7862 45.5761 175.5582 45 Q 4.8373 8.6754 122.9123 54.4588 31.1881 174.2721 46 L 4.9810 8.5950 126.7322 53.9602 43.2847 176.0973 47 S 4.6913 8.8952 116.1460 56.4166 66.6012 172.0884 48 A 4.8915 8.2621 124.7009 50.2926 20.5012 175.9853 49 E 4.2639 8.7171 123.0930 58.2697 30.6287 175.8213 50 S 4.4674 7.2674 112.1724 57.5914 66.3440 172.0250 51 V 3.7732 8.4140 121.8499 64.6789 31.6561 177.2270 52 G 4.0299 9.2715 116.0560 44.9406 0.0000 171.6446 53 E 5.2316 7.7868 118.5578 54.6415 32.2236 175.6959 54 V 4.8693 8.9955 116.9683 59.6786 36.7991 173.9205 55 Y 5.2188 8.6920 118.6496 56.4228 41.5487 174.9145 56 I 4.6818 8.6281 124.2678 59.5933 39.7077 174.5374 57 K 4.7353 8.6606 126.9254 54.4614 33.6043 176.5196 58 S 4.6236 8.7491 119.6509 57.7548 63.9854 175.2307 59 T 3.6535 8.4964 111.2764 64.7948 68.7416 175.5279 *61 T 4.3202 7.8866 110.8912 61.7976 70.3798 173.3471 62 G 3.3734 6.7320 109.3231 44.8715 0.0000 173.3033 63 Q 4.6979 7.6281 120.3201 55.0883 30.8285 174.3653 64 Y 4.8826 8.7195 120.0660 56.0940 40.0762 175.1441 65 L 4.5205 8.5944 126.7649 55.3484 43.5081 175.5403 66 A 4.9210 8.7015 125.9656 50.8359 23.4187 174.3382 67 M 5.3852 8.4424 118.6051 53.9824 35.0605 175.4097 68 D 4.9470 9.2329 126.3729 52.3805 41.1414 176.9546 69 T 4.2810 8.5387 107.8461 63.5438 68.5051 174.2800 70 D 4.7049 8.4373 120.7556 54.1278 42.0257 176.7979 71 G 3.2353 8.5987 108.4580 44.9999 0.0000 172.4535 72 L 5.0282 7.9303 118.9642 52.4402 44.4136 176.0851 73 L 5.1526 8.5677 122.7937 55.1239 42.8091 175.6376 74 Y 4.8627 8.8649 119.3052 55.9873 41.9172 173.5640 75 G 4.2270 8.8923 108.9474 45.4970 0.0000 173.1608 76 S 4.9421 9.0795 121.3354 57.0451 63.9721 175.2555 77 Q 4.0769 9.0319 126.0085 58.3872 28.9051 176.6485 78 T 4.5074 7.4628 106.0262 58.5181 71.1932 171.9002 79 P 3.8416 0.0000 0.0000 62.6267 32.2643 175.5993 80 N 4.7419 7.8625 116.7993 52.2908 39.1352 174.1395 81 E 4.1240 8.7391 114.6275 58.6692 30.1274 176.9737 82 E 4.2628 9.0984 119.3446 57.2139 29.8949 177.0649 83 C 4.9026 7.4645 115.3178 58.9775 29.4568 173.7108 84 L 3.9179 7.5140 121.2994 54.2039 42.5300 175.9125 85 F 5.2330 8.7800 121.5602 55.6339 43.6662 173.9884 86 L 5.0551 8.8581 121.9098 53.4544 43.2376 175.2223 87 E 4.4479 9.0904 126.8256 55.1297 30.4110 175.3930 88 R 4.8445 8.4552 124.9525 54.2864 35.0765 174.0920 89 L 4.9627 8.5634 122.4273 54.5301 43.6687 175.4686 90 E 4.6131 8.5590 123.6861 55.4151 33.3155 175.2120 91 E 3.8143 9.6950 123.8065 57.1884 27.1636 174.3893 92 N 4.3830 8.6473 112.7096 54.3194 36.0424 173.7340 93 H 4.7128 8.3925 116.6166 57.9101 33.5930 173.5696 94 Y 4.5667 7.8215 115.5953 57.6167 40.0176 173.2644 95 N 5.5804 9.1492 117.5025 52.0061 41.5643 174.5894 96 T 5.2315 8.5320 111.6438 60.2426 73.1592 172.1840 97 Y 5.2466 8.8764 119.9412 56.4320 41.5400 174.3084 98 I 4.9140 8.4133 124.4346 59.0759 40.4653 175.0463 99 S 4.1430 8.7183 122.0992 58.3843 62.4409 173.9062 100 K 3.9484 8.5040 128.8502 59.4306 32.3333 178.6495 101 K 3.7332 7.9764 118.0974 59.3957 32.3377 177.0367 102 H 5.2745 7.9949 113.3204 54.5694 29.3351 176.7758 103 A 3.9420 7.6085 125.8927 55.3015 18.4252 180.7394 104 E 4.0847 8.0751 112.7119 58.3062 29.8220 178.0836 105 K 4.1674 7.4543 117.2335 55.3801 33.2854 175.4772 106 N 3.6943 7.3680 115.0218 53.8607 36.0486 175.6638 107 W 4.8901 7.4493 118.2942 55.6863 30.7752 178.1582 108 F 5.1273 8.7285 123.9990 56.5059 40.4924 175.4173 109 V 4.3248 8.5273 119.5526 62.1896 32.8708 174.9566 110 G 4.8702 8.4472 112.0296 45.1915 0.0000 171.6402 111 L 5.1496 8.2935 120.8109 52.5425 44.7843 176.7964 112 K 4.2909 9.0963 122.1985 55.2078 33.1537 178.3660 113 K 3.8964 8.5237 120.3332 59.2109 32.0180 177.5700 114 N 4.7197 8.0943 114.6167 52.5155 37.4914 176.2095 115 G 3.8346 8.0684 107.6587 45.8663 0.0000 173.8822 116 S 4.9828 7.3549 114.9305 56.9571 65.0590 173.7720 117 C 4.5277 8.6109 116.8249 58.5452 30.1055 172.6854 118 K 4.4990 8.6245 122.8280 54.9735 33.7373 175.8125 119 R 4.2369 8.4179 125.6755 55.2365 31.0035 176.7751 120 G 3.4306 8.4461 115.4497 48.5559 0.0000 173.7413 121 P 4.3338 0.0000 0.0000 63.8365 31.4414 177.3096 122 R 4.5341 7.9037 116.5238 55.7917 30.5087 175.7703 123 T 4.9072 7.7447 109.1036 60.3955 70.7729 173.2718 124 H 4.9475 8.5181 117.0300 54.5040 31.6011 172.6573 125 Y 3.9125 8.4584 118.1144 60.0491 37.9787 177.2726 126 G 4.0205 9.0245 111.1850 45.3047 0.0000 173.4910 127 Q 4.3989 6.8862 116.7964 54.4271 29.9095 176.0629 128 K 3.9016 8.1470 118.1666 57.8199 32.8834 179.2178 129 A 3.8194 7.7107 122.0340 54.0533 18.4638 178.4575 130 I 4.5619 7.1854 106.1738 59.9610 38.2421 175.1024 131 L 4.3952 6.8570 121.4011 53.7817 42.3489 175.9073 132 F 5.4500 9.0770 122.2746 54.9098 43.3755 174.5872 133 L 4.9584 8.4358 121.2288 53.5431 45.0444 172.9674 134 P 5.2226 0.0000 0.0000 62.3199 31.2210 175.6413 135 L 4.5417 9.1311 126.8471 53.5382 43.4078 175.1109 136 P 4.6504 0.0000 0.0000 62.4790 32.6604 176.8078 137 V 3.6082 8.2620 119.4065 63.6650 32.4718 172.1945 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 1B H 8.30 4.47 0.00 3.10 3.48 0.00 5.76 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 1C H 8.42 3.56 0.00 3.40 3.37 0.00 5.87 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.12 4.20 0.00 3.25 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.77 5.07 0.00 3.34 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.89 4.63 0.00 3.33 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.52 4.98 0.00 2.83 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 2 N 8.59 4.55 0.00 2.91 2.77 0.00 0.00 6.90 6.74 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 3 L 8.06 4.73 0.00 1.43 1.40 0.57 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.78 0.00 2.14 2.01 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 5 P 0.00 4.44 0.00 2.16 2.05 0.00 3.83 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 1.95 1.93 0.00 6 G 7.71 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 7 N 7.74 4.49 0.00 2.76 2.76 0.00 0.00 5.86 7.55 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 8 Y 7.97 4.92 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 9 K 8.38 4.13 0.00 1.90 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.49 7.81 10 K 7.62 4.57 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 11 P 0.00 4.66 0.00 2.07 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 12 K 9.36 4.96 0.00 1.64 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.61 7.81 13 L 9.03 4.99 0.00 1.78 1.81 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.77 4.99 0.00 1.62 1.65 0.41 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.95 4.55 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.68 4.08 0.00 2.63 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 0.00 0.00 0.00 0.00 17 S 7.76 4.15 0.00 3.72 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 18 N 7.43 4.15 0.00 2.56 2.79 0.00 0.00 6.68 7.50 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 16 G 7.69 3.49 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 0.00 17 H 7.87 4.41 0.00 3.12 3.00 0.00 7.21 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.33 4.03 0.00 2.87 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 23 L 8.75 4.52 0.00 1.89 1.56 0.91 0.46 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 24 R 9.14 5.00 0.00 1.94 1.73 0.00 3.15 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 25 I 8.22 4.73 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.90 0.00 0.00 26 L 8.78 4.22 0.00 1.79 1.53 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.26 0.00 2.02 2.13 0.00 3.59 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 2.01 2.08 0.00 28 D 7.95 4.38 0.00 2.79 2.81 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 29 G 8.22 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 30 T 8.03 4.33 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 31 V 7.98 4.83 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 0.91 0.00 0.00 0.95 0.00 0.00 32 D 8.36 4.59 0.00 2.93 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 33 G 9.25 5.26 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 0.00 0.00 0.00 34 T 8.38 4.95 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 1.38 0.00 0.00 35 R 8.90 4.24 0.00 1.87 2.01 0.00 3.22 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 36 D 8.14 4.58 0.00 2.80 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 R 8.53 3.65 0.00 1.75 1.91 0.00 2.83 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 38 S 8.04 4.23 0.00 4.01 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 39 D 7.44 4.43 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 4.76 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 41 H 8.49 4.93 0.00 3.36 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.70 4.59 1.87 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 1.45 0.90 0.99 0.00 0.00 43 Q 7.87 4.53 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 44 L 8.90 4.97 0.00 1.52 1.46 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.68 4.84 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 46 L 8.60 4.98 0.00 1.76 1.64 0.96 1.02 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 47 S 8.90 4.69 0.00 3.87 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 48 A 8.26 4.89 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 49 E 8.72 4.26 0.00 2.04 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 2.35 2.34 0.00 50 S 7.27 4.47 0.00 4.01 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 51 V 8.41 3.77 2.32 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 0.91 0.00 0.00 1.03 0.00 0.00 52 G 9.27 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.79 5.23 0.00 1.88 1.71 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 2.22 2.27 0.00 54 V 9.00 4.87 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 0.76 0.00 0.00 1.14 0.00 0.00 55 Y 8.69 5.22 0.00 2.93 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 56 I 8.63 4.68 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.72 0.00 0.00 57 K 8.66 4.74 0.00 1.62 1.42 0.00 1.23 0.00 0.00 1.36 0.00 0.00 2.61 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.76 7.81 58 S 8.75 4.62 0.00 3.83 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 59 T 8.50 3.65 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 1.23 0.00 0.00 *61 T 7.89 4.32 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 62 G 6.73 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 63 Q 7.63 4.70 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 64 Y 8.72 4.88 0.00 2.88 2.90 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 65 L 8.59 4.52 0.00 1.73 1.55 0.86 0.52 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 66 A 8.70 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.44 5.39 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 68 D 9.23 4.95 0.00 2.98 2.81 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 69 T 8.54 4.28 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 70 D 8.44 4.70 0.00 2.80 2.67 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 71 G 8.60 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 0.00 0.00 0.00 72 L 7.93 5.03 0.00 1.78 1.58 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.57 5.15 0.00 1.58 1.64 0.92 0.97 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 74 Y 8.86 4.86 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.89 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 76 S 9.08 4.94 0.00 3.65 3.78 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 77 Q 9.03 4.08 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 78 T 7.46 4.51 4.13 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 1.17 0.00 0.00 79 P 0.00 3.84 0.00 1.58 0.49 0.00 3.48 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 80 N 7.86 4.74 0.00 2.89 2.90 0.00 0.00 6.00 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 81 E 8.74 4.12 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 82 E 9.10 4.26 0.00 2.30 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 2.45 2.32 0.00 83 C 7.46 4.90 0.00 3.27 3.34 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 84 L 7.51 3.92 0.00 1.44 1.36 0.85 0.43 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 85 F 8.78 5.23 0.00 3.03 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 86 L 8.86 5.06 0.00 1.62 1.62 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.09 4.45 0.00 1.91 1.83 0.00 0.00 0.00 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 1.66 0.00 88 R 8.46 4.84 0.00 1.79 1.83 0.00 3.26 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 89 L 8.56 4.96 0.00 1.64 1.59 1.02 0.73 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 90 E 8.56 4.61 0.00 2.27 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 2.26 2.44 0.00 91 E 9.70 3.81 0.00 2.42 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 0.00 2.30 2.42 0.00 92 N 8.65 4.38 0.00 2.87 2.94 0.00 0.00 6.76 8.16 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 93 H 8.39 4.71 0.00 2.85 2.95 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.82 4.57 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.15 5.58 0.00 2.93 2.70 0.00 0.00 6.94 6.34 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 96 T 8.53 5.23 4.47 0.00 0.00 0.00 0.00 0.00 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 97 Y 8.88 5.25 0.00 2.71 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 98 I 8.41 4.91 1.81 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 0.52 0.75 0.66 0.00 0.00 99 S 8.72 4.14 0.00 4.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.50 3.95 0.00 1.71 1.61 0.00 1.74 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.24 7.81 101 K 7.98 3.73 0.00 1.59 1.60 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.33 7.81 102 H 7.99 5.27 0.00 3.08 2.27 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.61 3.94 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 0.00 104 E 8.08 4.08 0.00 2.07 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 0.00 2.22 2.18 0.00 105 K 7.45 4.17 0.00 1.06 1.46 0.00 1.34 0.00 0.00 1.44 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.07 7.81 106 N 7.37 3.69 0.00 2.97 2.78 0.00 0.00 6.89 7.45 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 0.00 107 W 7.45 4.89 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.73 5.13 0.00 2.91 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 0.00 109 V 8.53 4.32 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 0.68 0.00 0.00 0.67 0.00 0.00 110 G 8.45 4.87 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 0.00 0.00 0.00 111 L 8.29 5.15 0.00 1.37 1.44 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.10 4.29 0.00 1.77 1.66 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.48 7.81 113 K 8.52 3.90 0.00 1.70 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 114 N 8.09 4.72 0.00 2.79 2.88 0.00 0.00 6.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.07 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.35 4.98 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 C 8.61 4.53 0.00 3.01 2.99 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 0.00 118 K 8.62 4.50 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.33 7.81 119 R 8.42 4.24 0.00 1.79 1.65 0.00 3.11 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 120 G 8.45 3.43 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 0.00 121 P 0.00 4.33 0.00 1.91 2.20 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 122 R 7.90 4.53 0.00 1.88 1.92 0.00 3.28 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 123 T 7.74 4.91 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 1.30 0.00 0.00 124 H 8.52 4.95 0.00 3.47 3.51 0.00 5.28 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 0.00 125 Y 8.46 3.91 0.00 3.09 2.89 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 0.00 126 G 9.02 4.02 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 0.00 127 Q 6.89 4.40 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 128 K 8.15 3.90 0.00 1.61 1.63 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.27 7.81 129 A 7.71 3.82 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 0.00 130 I 7.19 4.56 1.66 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.35 0.67 0.00 0.00 131 L 6.86 4.40 0.00 0.95 0.77 0.29 0.47 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 0.00 132 F 9.08 5.45 0.00 3.22 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 0.00 133 L 8.44 4.96 0.00 1.98 1.69 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.22 0.00 2.20 2.23 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 135 L 9.13 4.54 0.00 1.82 1.71 1.08 0.87 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 0.00 136 P 0.00 4.65 0.00 1.94 2.00 0.00 3.86 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 2.03 2.09 0.00 137 V 8.26 3.61 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 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.