NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3919 8.3344 115.4087 59.0724 65.1137 173.5708 3 I 2.9369 8.2969 125.6603 60.7840 38.2688 172.9659 4 S 4.6740 8.4518 113.2745 57.1705 63.1578 176.4459 5 S 4.7086 8.2878 117.2462 57.7912 63.4522 174.8509 6 K 4.3841 8.3261 120.4750 56.2236 31.8893 177.6573 7 A 3.6203 7.6817 124.2178 55.3120 18.1394 180.6704 8 K 3.9379 7.8579 116.3301 59.4088 32.1193 179.0362 9 E 3.9439 8.1113 119.1260 59.2940 29.6524 178.6541 10 I 3.7949 8.2487 120.1130 64.6338 37.1926 178.3752 11 L 4.1316 8.3119 119.8612 58.0529 41.4317 179.8311 12 T 3.8335 8.0263 115.5868 66.6330 68.4536 176.5014 13 Q 3.9027 8.2365 121.4916 59.0816 29.1064 177.6879 14 F 3.2271 8.1099 121.9055 61.4997 39.1617 177.2084 15 T 3.1495 7.6852 115.1829 66.2234 68.1786 176.6158 16 R 3.8278 7.8354 120.4229 59.4588 30.1063 178.3544 17 E 4.0584 8.5780 118.4725 59.4608 29.4297 179.6423 18 V 3.5257 7.9115 118.2926 65.6992 31.5124 177.8748 19 W 4.1789 7.4877 116.0264 58.7250 29.4559 178.2149 20 S 5.0698 8.1875 115.5046 59.3041 62.7667 175.3378 21 E 4.5872 8.0807 118.4578 54.7831 30.4091 176.3398 22 G 3.7631 7.5593 106.6413 46.8545 0.0000 175.2186 23 N 4.5847 8.0134 120.4430 51.7765 36.7442 174.6164 24 I 3.5784 7.6509 125.9642 63.9518 37.5866 177.2176 25 E 4.0892 8.1453 118.0009 58.5646 29.3592 178.7722 26 A 4.0261 8.0446 120.9690 54.6735 18.2539 179.3346 27 S 4.2455 8.1071 114.2313 62.2853 62.6452 176.5271 28 D 4.2627 7.6127 120.6196 57.3873 40.5764 178.8159 29 K 3.8451 7.6796 117.9645 58.3705 32.1653 177.3900 30 Y 4.5701 7.3513 114.8424 57.6212 40.2631 175.1228 31 I 4.2958 7.4688 120.5854 59.0711 38.1510 175.6622 32 A 4.2584 8.7797 128.3152 51.0776 19.0235 176.5715 33 P 4.4794 0.0000 0.0000 64.8482 31.5395 176.6661 34 K 5.0065 7.7632 117.9565 54.5642 35.4734 174.8595 35 Y 4.8894 9.5791 125.7827 56.1471 42.1519 173.8207 36 T 5.1395 8.4365 123.8124 61.8590 71.4012 174.0107 37 V 3.9853 8.5835 127.3876 62.0271 30.9970 176.4250 38 L 4.0575 8.6553 128.0284 57.5768 42.2957 177.5117 39 H 4.4482 7.4102 117.2035 55.2851 33.2927 171.8988 40 D 4.8786 9.1904 120.0656 53.2166 43.9354 171.6688 41 P 4.1051 0.0000 0.0000 63.7960 31.9269 177.1254 42 G 3.9101 8.8254 111.0307 45.3360 0.0000 172.9173 43 D 4.5720 8.1143 121.0796 53.2257 41.6620 175.1782 44 P 3.9661 0.0000 0.0000 64.9694 31.5538 177.0009 45 W 4.6498 8.9206 116.6706 56.0426 29.2438 175.4718 46 E 4.1824 8.0334 120.9553 57.7416 29.2685 177.3139 47 G 3.9658 9.5375 114.4197 45.5005 0.0000 173.0614 48 R 4.6722 7.9480 118.8649 54.4630 32.8607 175.1118 49 E 4.8714 8.7819 123.4934 55.0041 30.6266 175.0739 50 L 4.8897 9.7206 129.0246 53.6051 44.5103 176.3262 51 D 5.3308 8.3579 121.0077 51.5854 41.9170 177.4421 52 V 3.5919 8.4672 116.7055 65.9555 31.2727 177.3857 53 A 4.0969 8.1332 120.2414 55.2578 18.2804 179.6495 54 G 3.5642 8.8788 104.5506 47.9987 0.0000 175.1393 55 Y 3.6979 8.3462 122.3836 60.3925 38.7996 178.4850 56 K 3.8691 8.5064 119.7426 59.2916 32.0471 178.9023 57 E 3.8397 8.3332 119.9020 59.2943 29.5766 178.8742 58 R 2.6438 7.3481 118.5921 58.7530 29.8542 178.5737 59 V 3.0066 7.2267 118.0232 65.6285 31.5899 177.6006 60 K 3.7179 7.8190 119.2747 59.9782 31.7395 178.7224 61 T 3.9679 7.8059 114.2167 66.7891 68.5614 176.4729 62 L 4.3785 8.2898 119.7986 57.9996 42.1761 179.5077 63 R 4.3898 8.7549 117.5184 58.2870 29.8567 178.4878 64 A 4.0445 7.8228 119.9544 55.2331 18.3061 179.1227 65 A 4.0753 8.0761 117.9533 54.0812 20.1349 177.9072 66 F 4.8531 8.1635 115.0209 54.7295 39.6044 173.5652 67 P 4.3325 0.0000 0.0000 64.8354 31.7262 177.1790 68 D 4.8061 7.9624 115.5234 52.6538 39.8928 176.1499 69 Q 3.6912 7.9989 118.9615 57.1875 29.7757 175.1274 70 C 4.9620 8.2222 121.8766 57.6884 34.7850 172.6066 71 F 4.9243 9.5361 125.9036 56.8175 40.0276 175.1328 72 D 4.8755 9.5482 123.0922 52.2398 43.3248 174.5509 73 I 4.4696 8.5107 127.3127 61.8423 37.1169 176.1536 74 Q 4.4085 9.4481 126.8979 57.8721 29.7677 176.4257 75 G 4.0672 7.8849 103.0656 44.8674 0.0000 172.8951 76 L 4.8981 7.5999 120.9026 52.6409 44.9638 176.1421 77 F 4.7803 9.5345 123.2495 55.6764 41.4999 173.8989 78 A 5.0076 8.5642 125.9691 50.4957 20.5282 176.0680 79 D 4.4710 9.4694 122.6030 53.5857 44.8940 175.2473 80 G 3.7746 8.3350 117.3929 47.2953 0.0000 173.4209 81 D 4.7409 8.8812 124.9306 52.8681 39.8307 174.9277 82 A 5.2148 8.0702 122.0584 50.3721 22.4717 175.9195 83 V 4.7469 8.7614 119.9830 61.4575 34.9530 175.7288 84 V 4.6543 9.3163 129.4965 61.4130 34.3986 174.3153 *86 T 4.7166 8.2331 109.6727 61.7823 70.2617 172.8616 87 W 5.6867 8.3998 118.9422 55.7927 32.1603 173.5616 88 L 5.2177 9.2151 121.9159 53.6396 44.4940 175.1123 89 W 5.4163 8.3816 128.1820 56.7863 34.2257 172.9642 90 T 4.9114 8.0246 119.9803 60.5993 70.7996 172.1611 91 A 4.5648 8.1251 126.4436 51.0752 23.1208 175.1964 92 T 4.6563 9.2338 117.6797 62.6014 69.9553 175.9932 93 H 4.9841 9.6409 128.5421 55.2874 27.4834 175.2166 94 K 4.5164 8.1789 119.3530 56.8641 34.3048 177.5628 95 E 4.5283 7.7304 117.9835 54.5717 31.2011 175.0078 96 D 4.6738 8.4733 121.7833 53.8886 41.6556 176.1848 97 I 4.5464 8.3423 117.3089 57.7365 40.2680 173.2469 98 P 4.3769 0.0000 0.0000 64.3247 31.3042 177.3643 99 G 3.6157 9.2166 111.3913 45.4418 0.0000 173.5112 100 F 4.7982 8.2087 118.0432 54.6100 40.3844 172.2764 101 P 4.7947 0.0000 0.0000 61.8468 31.9488 176.8453 102 S 3.8959 9.2472 116.4712 59.1929 63.0244 174.5110 103 T 4.3456 8.0285 111.1720 60.5284 70.2615 175.2307 104 G 3.9342 8.6667 109.9872 45.4669 0.0000 173.8371 105 K 4.3866 7.8251 119.5140 55.9035 33.7520 176.1753 106 Q 4.6283 8.5654 121.6349 55.8296 29.8175 175.3749 107 I 4.6593 9.3373 125.6599 59.6455 39.5827 175.1899 108 K 5.6355 9.6058 125.9521 53.7974 35.3019 175.3678 *110 S 4.1842 8.3785 115.1491 58.7830 64.8774 172.5015 111 G 3.2012 6.7788 105.7736 45.2444 0.0000 171.9944 112 A 5.0086 8.5594 121.4362 50.2141 22.0619 175.5176 113 T 4.9423 8.5718 117.7261 61.8265 72.6543 173.1371 114 V 4.2389 9.3146 128.2912 62.2956 32.8277 174.1784 115 Y 5.2116 8.9817 126.3999 56.6194 40.5814 174.2822 116 Y 5.1626 8.8979 120.9353 56.3830 40.7553 174.8215 117 F 5.2478 9.5589 122.6418 55.8589 42.1524 175.4208 118 D 4.7400 9.2888 121.1978 53.1104 43.4535 176.5609 119 G 4.0094 8.2504 119.8057 47.1904 0.0000 174.4527 120 N 4.7922 9.0531 122.2945 53.3674 39.0786 174.3879 121 R 4.8347 7.8813 116.8969 54.0250 33.8901 174.3025 122 L 4.5425 8.6450 120.3510 54.0703 42.7089 177.8402 123 T 4.7133 8.8655 112.2274 59.9027 70.0492 174.1701 124 G 3.4669 6.8914 109.4099 46.8750 0.0000 170.5836 125 H 6.2668 7.9179 113.8308 54.0426 32.6105 172.4508 126 W 5.3750 8.9014 128.6795 55.8841 33.1039 173.6213 127 Q 5.3104 9.4584 128.0730 54.6232 32.8267 173.5941 128 I 4.8910 8.8482 124.2581 59.7904 41.3167 174.7439 129 T 4.7285 8.3056 115.1408 59.2517 72.2158 174.4847 130 D 4.5426 8.3705 123.1024 53.4977 37.7046 177.0886 131 R 3.8610 7.5745 122.9370 58.7778 30.7190 178.2488 132 L 4.0960 7.9200 119.9409 58.0517 42.1427 178.9057 133 G 3.7984 8.2301 107.0333 47.2059 0.0000 175.7461 134 V 3.5104 7.5421 120.3747 65.7413 31.4832 177.3385 135 Y 4.0169 8.2743 119.5731 60.8075 38.6127 178.1424 136 Q 3.8297 8.5344 119.1805 59.0982 28.8790 178.8801 137 Q 3.9353 8.0616 118.8979 58.9150 28.8733 178.9998 138 L 3.6501 7.8929 120.1999 57.6947 41.2550 179.7991 139 R 4.0721 7.5265 119.3712 60.0144 30.0410 179.4484 140 Q 4.1217 8.2289 119.4405 60.1082 28.1857 179.9222 141 A 4.4111 7.9170 120.6674 53.8083 18.7240 177.8064 142 A 4.3652 7.6586 123.3042 52.5321 18.6751 177.0555 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 S 8.33 4.39 0.00 3.98 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 3 I 8.30 2.94 1.88 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.28 0.95 0.00 0.00 4 S 8.45 4.67 0.00 3.99 3.10 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 5 S 8.29 4.71 0.00 4.02 3.47 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 0.00 6 K 8.33 4.38 0.00 1.81 1.84 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.47 7.81 7 A 7.68 3.62 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 8 K 7.86 3.94 0.00 1.78 1.85 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.44 7.81 9 E 8.11 3.94 0.00 2.04 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 2.42 2.43 0.00 10 I 8.25 3.79 2.24 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.62 1.14 0.00 0.00 11 L 8.31 4.13 0.00 1.91 1.81 1.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.03 3.83 4.40 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 1.22 0.00 0.00 13 Q 8.24 3.90 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 14 F 8.11 3.23 0.00 1.51 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 15 T 7.69 3.15 4.11 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 0.00 0.00 0.84 0.00 0.00 16 R 7.84 3.83 0.00 1.95 2.05 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 17 E 8.58 4.06 0.00 2.13 2.05 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 2.37 2.52 0.00 18 V 7.91 3.53 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 0.50 0.00 0.00 1.17 0.00 0.00 19 W 7.49 4.18 0.00 2.82 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 20 S 8.19 5.07 0.00 4.03 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 21 E 8.08 4.59 0.00 2.18 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 2.23 2.37 0.00 22 G 7.56 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 23 N 8.01 4.58 0.00 2.72 2.75 0.00 0.00 7.25 7.81 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 24 I 7.65 3.58 1.80 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.85 0.00 0.00 25 E 8.15 4.09 0.00 1.95 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 2.37 2.30 0.00 26 A 8.04 4.03 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.25 0.00 4.01 3.96 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 28 D 7.61 4.26 0.00 2.51 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.68 3.85 0.00 0.79 1.06 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.20 7.81 30 Y 7.35 4.57 0.00 2.65 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.47 4.30 1.56 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.42 0.00 0.00 32 A 8.78 4.26 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 33 P 0.00 4.48 0.00 2.20 2.14 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 2.12 2.12 0.00 34 K 7.76 5.01 0.00 1.87 1.70 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 35 Y 9.58 4.89 0.00 2.92 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 36 T 8.44 5.14 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 1.23 0.00 0.00 37 V 8.58 3.99 2.40 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 0.98 0.00 0.00 1.18 0.00 0.00 38 L 8.66 4.06 0.00 1.86 1.87 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 H 7.41 4.45 0.00 2.70 1.71 0.00 5.90 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 9.19 4.88 0.00 2.65 2.47 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 0.00 41 P 0.00 4.11 0.00 1.96 1.88 0.00 3.61 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 42 G 8.83 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 43 D 8.11 4.57 0.00 2.81 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 44 P 0.00 3.97 0.00 0.49 1.46 0.00 3.97 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 45 W 8.92 4.65 0.00 3.72 3.18 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 46 E 8.03 4.18 0.00 2.03 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 2.27 2.24 0.00 47 G 9.54 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 0.00 0.00 0.00 48 R 7.95 4.67 0.00 2.05 2.00 0.00 3.34 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 49 E 8.78 4.87 0.00 2.00 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 2.26 2.35 0.00 50 L 9.72 4.89 0.00 1.85 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.36 5.33 0.00 2.83 2.87 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 52 V 8.47 3.59 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 1.12 0.00 0.00 0.89 0.00 0.00 53 A 8.13 4.10 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 54 G 8.88 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 55 Y 8.35 3.70 0.00 3.00 3.11 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 0.00 0.00 0.00 56 K 8.51 3.87 0.00 1.99 1.81 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.72 7.81 57 E 8.33 3.84 0.00 2.01 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 2.44 2.40 0.00 58 R 7.35 2.64 0.00 0.67 1.23 0.00 2.56 0.00 0.00 2.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.00 59 V 7.23 3.01 1.79 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 -0.14 0.00 0.00 0.31 0.00 0.00 60 K 7.82 3.72 0.00 1.77 1.93 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 61 T 7.81 3.97 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 62 L 8.29 4.38 0.00 1.98 2.07 1.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.75 4.39 0.00 1.85 2.05 0.00 2.51 0.00 0.00 2.91 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 64 A 7.82 4.04 1.45 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 0.00 0.00 65 A 8.08 4.08 1.33 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 0.00 0.00 66 F 8.16 4.85 0.00 3.43 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 67 P 0.00 4.33 0.00 2.05 2.14 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 68 D 7.96 4.81 0.00 2.73 2.73 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 69 Q 8.00 3.69 0.00 1.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 70 C 8.22 4.96 0.00 2.79 2.56 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 71 F 9.54 4.92 0.00 2.83 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 72 D 9.55 4.88 0.00 2.77 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 73 I 8.51 4.47 1.96 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 1.51 0.78 1.03 0.00 0.00 74 Q 9.45 4.41 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 75 G 7.88 4.07 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 0.00 0.00 0.00 76 L 7.60 4.90 0.00 1.32 1.49 0.95 0.87 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 77 F 9.53 4.78 0.00 2.91 2.97 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 78 A 8.56 5.01 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 79 D 9.47 4.47 0.00 2.60 2.49 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 80 G 8.33 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.88 4.74 0.00 3.18 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 82 A 8.07 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.76 4.75 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 1.12 0.00 0.00 0.96 0.00 0.00 84 V 9.32 4.65 2.35 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 1.02 0.00 0.00 0.93 0.00 0.00 *86 T 8.23 4.72 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 1.38 0.00 0.00 87 W 8.40 5.69 0.00 3.70 3.36 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 88 L 9.22 5.22 0.00 1.73 1.73 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.38 5.42 0.00 3.45 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 90 T 8.02 4.91 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 1.01 0.00 0.00 91 A 8.13 4.56 0.43 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 92 T 9.23 4.66 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 1.28 0.00 0.00 93 H 9.64 4.98 0.00 3.44 3.37 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.18 4.52 0.00 1.90 1.93 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 95 E 7.73 4.53 0.00 1.98 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 2.19 2.39 0.00 96 D 8.47 4.67 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.34 4.55 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.68 0.00 0.00 98 P 0.00 4.38 0.00 2.13 2.08 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 99 G 9.22 3.62 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 0.00 100 F 8.21 4.80 0.00 3.12 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 0.00 101 P 0.00 4.79 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 102 S 9.25 3.90 0.00 3.98 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 0.00 103 T 8.03 4.35 4.27 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 1.31 0.00 0.00 104 G 8.67 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.83 4.39 0.00 1.81 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 106 Q 8.57 4.63 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 107 I 9.34 4.66 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.91 0.00 0.00 108 K 9.61 5.64 0.00 1.59 1.77 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.20 7.81 *110 S 8.38 4.18 0.00 3.79 3.96 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 0.00 111 G 6.78 3.20 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 0.00 112 A 8.56 5.01 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 0.00 113 T 8.57 4.94 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 0.51 0.00 0.00 114 V 9.31 4.24 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 0.57 0.00 0.00 0.93 0.00 0.00 115 Y 8.98 5.21 0.00 3.16 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 0.00 116 Y 8.90 5.16 0.00 2.93 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 0.00 117 F 9.56 5.25 0.00 2.95 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 0.00 118 D 9.29 4.74 0.00 2.62 2.56 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 0.00 119 G 8.25 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 9.05 4.79 0.00 2.77 2.94 0.00 0.00 6.55 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 0.00 121 R 7.88 4.83 0.00 1.84 1.76 0.00 3.20 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 122 L 8.64 4.54 0.00 1.43 1.57 -0.41 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.87 4.71 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 0.00 124 G 6.89 3.47 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 0.00 0.00 0.00 0.00 125 H 7.92 6.27 0.00 2.99 3.31 0.00 5.48 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 W 8.90 5.37 0.00 3.56 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 0.00 127 Q 9.46 5.31 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 128 I 8.85 4.89 1.89 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 1.41 1.12 0.87 0.00 0.00 129 T 8.31 4.73 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 1.43 0.00 0.00 130 D 8.37 4.54 0.00 2.64 2.47 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 0.00 131 R 7.57 3.86 0.00 1.84 1.92 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 132 L 7.92 4.10 0.00 1.75 1.66 1.02 1.05 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 0.00 133 G 8.23 3.80 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 0.00 0.00 0.00 134 V 7.54 3.51 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.82 0.00 0.00 135 Y 8.27 4.02 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 0.00 136 Q 8.53 3.83 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 137 Q 8.06 3.94 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 138 L 7.89 3.65 0.00 0.71 0.13 0.65 0.58 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 0.00 139 R 7.53 4.07 0.00 1.67 1.87 0.00 3.47 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.95 0.00 140 Q 8.23 4.12 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 141 A 7.92 4.41 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 0.00 142 A 7.66 4.37 1.55 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 * Residues marked with a * may have inaccurate shift predictions.