NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1591 8.0249 120.7873 60.8200 39.1820 174.6606 3 Q 4.5535 8.4315 124.6995 52.3083 32.2149 173.3365 4 S 4.9341 9.0998 115.8933 56.7360 67.1573 173.1846 5 Q 4.5608 8.6972 121.5505 54.9483 29.9563 175.8785 6 I 4.4560 8.1228 110.3760 60.0937 39.0175 174.6214 7 N 4.8739 7.8385 120.3732 51.1972 40.6436 174.7450 8 R 4.0016 8.5946 123.9066 59.3446 29.3893 178.3392 9 N 4.3661 8.6130 117.1954 55.8380 38.3778 177.3677 10 I 3.6876 7.5402 121.4638 64.5730 37.1558 178.6342 11 R 4.0202 7.8909 118.2732 58.9969 29.9974 178.9032 12 L 4.0232 8.1862 119.0865 57.4737 41.5935 179.0912 13 D 4.3222 8.3230 119.2741 57.2629 40.8024 178.4093 14 L 3.8978 7.8951 120.4986 58.1772 41.9873 178.6466 15 A 4.1334 8.2701 120.8878 55.6397 18.2981 179.4089 16 D 4.2878 8.1654 116.9121 57.3086 40.7570 178.9303 17 A 3.9922 8.0116 121.3185 55.1697 18.3938 179.5633 18 I 3.6317 8.2019 118.7487 64.7942 37.2468 178.7349 19 L 4.1349 8.2256 119.7161 57.3909 41.2856 179.4111 20 L 3.9404 8.0134 120.6398 58.0021 42.0534 178.7026 21 S 4.0355 8.2434 113.3799 61.3775 62.3084 176.0146 22 K 3.7835 8.4296 122.3248 59.5627 31.9774 178.6105 23 A 3.9724 8.0741 120.9299 55.0204 18.0863 179.6864 24 K 3.9189 8.1172 116.3782 59.2103 32.2198 178.8288 25 K 4.1652 7.9074 116.0761 55.4323 33.0280 175.8143 26 D 4.2833 7.5452 117.3652 55.1702 39.8667 172.9580 27 L 4.7278 7.6866 117.2896 53.4986 44.0380 177.2605 28 S 4.6846 8.4267 115.6385 56.7877 66.5756 175.5067 29 F 4.2256 8.4093 121.0878 60.5131 38.7416 177.8640 30 A 4.0876 8.1153 120.5205 55.1153 18.0627 179.3108 31 E 4.0336 8.3181 115.2718 59.3782 29.8267 179.1037 32 I 3.8470 7.7086 120.1932 63.9618 37.4555 177.5946 33 A 4.3229 8.1583 120.8380 52.5140 18.5333 176.8817 34 D 4.4335 7.3650 117.7192 56.0082 41.4825 176.6942 35 G 4.0259 9.1106 115.1547 45.4771 0.0000 173.8631 36 T 4.0603 7.7160 109.0554 61.9404 69.3845 176.2915 37 G 3.9366 8.3588 108.8891 45.3899 0.0000 172.8226 38 L 4.7430 7.5939 118.2836 51.9695 44.7699 176.9766 39 A 4.1757 8.2914 123.0174 52.0700 20.3582 178.6200 40 E 3.9473 8.8714 122.7442 59.3922 29.7384 179.3946 41 A 3.9489 7.9785 120.4575 54.8854 18.4946 179.2979 42 F 3.8788 8.1410 118.7853 61.3699 39.6071 177.4856 43 V 3.6044 8.0163 117.9192 66.2693 31.3535 178.0924 44 T 3.7741 8.0250 115.2571 66.5933 68.1661 176.4535 45 A 3.8463 7.7904 122.3950 54.8941 18.2776 179.5986 46 A 4.1336 7.4898 120.5477 54.8397 18.2554 179.5786 47 L 3.9683 7.7231 116.2723 57.8851 41.7360 178.8802 48 L 4.5325 7.5675 116.1733 54.3958 41.7346 177.5885 49 G 3.9145 8.1441 106.7871 45.6652 0.0000 174.4549 50 Q 4.5141 8.1383 116.2484 55.4600 29.9202 174.7591 51 Q 4.6247 7.4355 116.0283 54.4026 33.8756 172.9696 52 A 4.9248 8.4921 121.6288 50.4703 21.1252 176.3966 53 L 4.7080 8.7988 121.9926 52.7975 43.8426 175.2776 54 P 4.4160 0.0000 0.0000 62.2720 32.3692 177.3605 55 A 4.0473 8.6251 122.0282 55.6128 18.2286 180.0192 56 D 4.3177 8.0856 116.7181 57.4322 40.9142 178.6839 57 A 4.0559 8.0161 120.6899 54.9639 18.4434 179.3691 58 A 3.9553 8.1941 119.4793 55.3936 18.4466 180.1206 59 R 3.9557 8.2103 116.6578 59.0314 29.9913 179.1537 60 L 3.9812 7.9636 118.8789 58.1335 41.6504 180.1046 61 V 3.7861 8.1984 112.5560 64.2635 31.3710 179.0047 62 G 3.5574 8.2334 105.5628 47.4026 0.0000 175.7261 63 A 4.0033 8.1046 123.0617 55.1674 18.2362 179.9818 64 K 4.0160 7.5999 115.7320 58.9085 32.2002 178.6708 65 L 4.3377 8.0292 116.6845 53.2792 42.6572 175.7778 66 D 4.3350 7.5938 117.2101 55.1130 39.9880 173.5232 67 L 4.3457 8.0887 118.1510 54.0377 43.1340 177.9016 68 D 4.6879 8.2920 121.8126 52.8701 41.8334 177.3625 69 E 3.9954 8.5918 118.9983 59.6233 29.3656 179.2686 70 D 4.3950 8.0984 118.5163 57.5385 40.8827 178.9348 71 S 4.1583 8.6891 115.9148 61.5627 62.6479 176.7259 72 I 3.7429 7.5971 121.7115 64.1235 37.0669 177.9666 73 L 4.2450 7.9891 121.3034 58.2276 41.7512 179.0041 74 L 4.0282 7.8674 117.7626 57.8085 41.7927 179.2813 75 L 4.1649 8.0545 118.4146 56.4501 42.5841 177.3141 76 Q 4.6573 7.3546 119.8421 53.7205 27.3963 175.0534 *78 I 4.0877 7.2780 119.3083 60.4736 39.2548 175.0037 79 P 4.7297 0.0000 0.0000 62.1414 32.9632 176.1619 80 L 4.3228 8.3130 123.3531 54.1832 41.4851 176.5340 81 R 4.1634 8.3139 124.9295 55.5951 30.9651 175.0613 82 G 3.0317 8.2679 106.8813 44.9044 0.0000 173.4969 83 C 4.3604 8.2220 121.9032 57.9028 30.6776 173.8968 84 I 4.1850 7.3811 122.1553 60.0439 37.8836 174.7408 85 D 4.4923 8.8816 125.6550 57.0684 41.3249 176.7968 86 D 4.6170 7.2880 116.5741 53.3216 41.6124 173.9055 87 R 4.1646 8.2836 126.7258 56.5563 29.2083 176.7222 88 I 4.0537 7.1895 116.0010 58.3203 38.9293 174.0500 89 P 4.4303 0.0000 0.0000 63.0142 31.7956 176.3254 90 T 4.2588 8.2727 110.6323 62.7999 69.9322 174.9460 91 D 4.5206 7.9733 121.9062 53.1608 42.1941 173.9143 92 P 4.4975 0.0000 0.0000 66.2831 31.5320 178.9178 93 T 3.9209 7.6200 109.6555 64.8341 67.9592 174.3780 *95 Y 4.6389 7.9260 125.1048 57.7229 40.3750 177.3687 96 R 4.1545 7.9868 117.4658 59.1929 30.0244 178.7380 97 F 4.1002 8.0503 116.6404 60.3169 39.2444 176.6225 98 Y 4.1426 7.8235 118.9199 60.2083 38.7846 178.6817 99 E 4.0232 8.1234 122.4444 55.6115 29.5449 178.6375 *101 L 4.2121 7.9368 118.6893 54.6194 43.8019 179.6113 102 Q 3.8367 7.6350 116.3987 58.4487 28.4780 178.7663 103 V 3.6409 7.6939 118.6924 65.2550 32.0822 176.8712 104 Y 4.7086 7.5727 113.2539 57.6657 38.4978 177.6877 105 G 3.6360 8.1523 109.2114 48.0641 0.0000 176.2174 106 T 3.9847 7.8341 111.8035 64.6190 68.8767 176.7896 107 T 3.8980 7.9221 118.1805 66.4859 68.4758 176.3344 108 L 3.9985 8.4305 121.2943 57.5274 41.5703 179.3164 109 K 3.7608 8.1936 119.3350 59.6231 32.1719 178.6081 110 A 4.0230 8.2809 121.1475 55.2574 18.2352 179.5537 111 L 4.0726 8.3896 117.7358 57.4419 41.6818 179.7836 112 V 3.8293 8.1670 118.8684 66.4031 31.3516 177.8559 113 H 4.8767 8.3669 117.5240 58.4509 28.3181 177.4524 114 E 3.9383 8.1904 120.1978 59.0581 29.5515 178.4752 115 K 3.9988 8.1607 117.3910 57.5256 32.4040 177.3618 116 F 4.0685 8.7044 115.6763 59.7389 41.0870 174.8401 117 G 3.9667 7.2337 105.1395 43.3362 0.0000 172.1719 118 D 4.6483 8.6257 119.1550 54.6265 42.2534 175.6103 119 G 4.2019 7.9383 111.3244 45.3068 0.0000 172.2006 120 I 4.8092 8.2940 114.6247 59.3632 41.9232 174.5231 121 I 4.6199 8.1118 123.4434 59.8750 37.9139 176.0624 122 S 4.2525 9.1425 122.9598 58.2740 62.9151 173.7121 123 A 3.9726 8.4442 126.8397 51.8560 19.4063 176.9942 124 I 4.2890 7.6806 116.7027 63.2618 39.3020 176.1952 125 N 4.7686 8.1492 122.7913 51.9958 37.8697 172.6395 126 F 5.3766 8.0553 122.5386 56.7067 42.6916 172.4819 127 K 4.5829 8.0940 123.8049 55.0759 36.2654 174.8337 128 L 5.2033 8.0579 120.3903 54.3187 43.7404 174.9532 129 D 4.7771 8.6673 118.4574 52.2321 43.4222 173.9483 130 V 4.7735 8.3101 119.0601 61.1436 33.8638 174.6529 131 K 4.7087 9.0165 127.0786 54.4158 35.5232 174.9132 132 K 4.8500 8.6199 125.2448 55.2792 33.4984 175.7100 133 V 4.5882 8.7115 126.6289 60.5546 35.0125 174.4893 134 A 4.3463 8.6847 128.8754 52.1526 19.2545 176.3991 135 D 4.5517 8.9838 122.1123 52.6692 41.9668 175.6387 136 P 4.2229 0.0000 0.0000 65.7202 31.4327 177.0482 137 E 4.1448 8.6675 115.7932 56.1053 29.7182 176.5837 138 G 4.0407 8.5133 108.4226 45.6927 0.0000 175.4927 139 G 3.8601 9.5957 108.8460 44.0711 0.0000 171.6367 140 E 5.1493 8.2864 116.9025 54.8496 33.8093 175.2731 141 R 4.8230 9.4493 120.3772 54.4095 34.3884 174.1737 142 A 5.0541 8.5801 122.9864 50.4421 21.3187 176.7225 143 V 4.1889 8.8015 122.6253 61.4142 33.3477 174.1869 144 I 4.8198 8.3369 129.1052 60.0897 38.8728 175.3353 145 T 4.5298 8.7744 124.5722 61.8543 70.5793 173.5499 146 L 4.6463 8.5755 126.7285 53.1673 43.5342 175.7121 147 D 4.6955 8.5617 124.6066 52.3193 43.3680 174.3628 148 G 4.6403 8.4941 112.1522 43.7687 0.0000 170.8706 149 K 4.3091 9.0455 125.0772 56.2670 33.6212 175.1835 150 Y 4.7767 8.5359 128.0951 57.2701 39.8095 174.2435 151 L 4.4816 8.5369 127.1697 51.9773 44.3079 174.3602 152 P 4.5384 0.0000 0.0000 62.8417 32.7227 176.1647 153 T 4.4887 8.5903 118.9159 62.3520 69.6141 174.1285 154 K 4.7771 8.4729 125.7359 53.2505 35.2709 174.7409 155 P 4.4204 0.0000 0.0000 62.9060 31.9231 176.4024 156 F 4.5292 7.7029 113.6367 57.2086 37.9871 174.5002 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 I 8.02 4.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.91 0.00 0.00 3 Q 8.43 4.55 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.10 4.93 0.00 3.91 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 5 Q 8.70 4.56 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.12 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.91 0.00 0.00 7 N 7.84 4.87 0.00 2.76 2.68 0.00 0.00 6.92 7.65 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 8 R 8.59 4.00 0.00 2.06 2.28 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.61 4.37 0.00 2.89 2.91 0.00 0.00 6.87 6.87 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 10 I 7.54 3.69 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 1.52 0.84 0.91 0.00 0.00 11 R 7.89 4.02 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.48 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.19 4.02 0.00 1.68 1.71 0.91 0.89 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 13 D 8.32 4.32 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.90 3.90 0.00 1.77 1.83 0.92 1.19 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 A 8.27 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.29 0.00 2.86 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 17 A 8.01 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.20 3.63 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 0.95 0.00 0.00 19 L 8.23 4.13 0.00 1.84 1.74 0.98 0.78 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 20 L 8.01 3.94 0.00 1.77 1.79 0.92 0.66 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 21 S 8.24 4.04 0.00 3.90 3.84 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 0.00 0.00 0.00 22 K 8.43 3.78 0.00 1.78 1.90 0.00 1.12 0.00 0.00 1.17 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.21 7.81 23 A 8.07 3.97 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 24 K 8.12 3.92 0.00 1.87 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 K 7.91 4.17 0.00 1.70 1.82 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.51 7.81 26 D 7.55 4.28 0.00 2.77 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 27 L 7.69 4.73 0.00 1.55 1.47 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.43 4.68 0.00 4.04 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 29 F 8.41 4.23 0.00 3.23 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 30 A 8.12 4.09 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 31 E 8.32 4.03 0.00 2.13 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 2.51 2.33 0.00 32 I 7.71 3.85 2.05 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.96 0.00 0.00 33 A 8.16 4.32 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.37 4.43 0.00 2.80 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 35 G 9.11 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 36 T 7.72 4.06 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 1.29 0.00 0.00 37 G 8.36 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 38 L 7.59 4.74 0.00 1.72 1.64 1.04 0.43 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 39 A 8.29 4.18 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 40 E 8.87 3.95 0.00 2.08 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 0.00 2.42 2.62 0.00 41 A 7.98 3.95 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 42 F 8.14 3.88 0.00 3.20 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 43 V 8.02 3.60 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 1.04 0.00 0.00 1.08 0.00 0.00 44 T 8.02 3.77 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 0.37 0.00 0.00 45 A 7.79 3.85 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 46 A 7.49 4.13 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 47 L 7.72 3.97 0.00 1.85 1.86 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.57 4.53 0.00 1.65 1.62 0.75 0.83 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 49 G 8.14 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 50 Q 8.14 4.51 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.44 4.62 0.00 1.39 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.03 1.46 0.00 52 A 8.49 4.92 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 53 L 8.80 4.71 0.00 1.62 1.64 0.95 0.96 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 54 P 0.00 4.42 0.00 2.20 1.99 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 55 A 8.63 4.05 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 56 D 8.09 4.32 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 57 A 8.02 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.19 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.21 3.96 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 60 L 7.96 3.98 0.00 1.86 1.73 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.20 3.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 62 G 8.23 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 63 A 8.10 4.00 1.38 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 0.00 0.00 64 K 7.60 4.02 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.72 7.81 65 L 8.03 4.34 0.00 1.68 1.68 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.59 4.34 0.00 2.73 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 67 L 8.09 4.35 0.00 1.65 1.58 0.93 0.86 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 68 D 8.29 4.69 0.00 2.95 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 E 8.59 4.00 0.00 2.00 2.04 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 2.40 2.35 0.00 70 D 8.10 4.39 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.69 4.16 0.00 4.03 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 72 I 7.60 3.74 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 0.92 0.00 0.00 73 L 7.99 4.24 0.00 1.88 1.84 0.93 0.71 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 74 L 7.87 4.03 0.00 1.84 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.05 4.16 0.00 1.86 1.72 0.93 0.96 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 76 Q 7.35 4.66 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.39 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 *78 I 7.28 4.09 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.92 0.00 0.00 79 P 0.00 4.73 0.00 2.11 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 80 L 8.31 4.32 0.00 1.81 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.31 4.16 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 82 G 8.27 3.03 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 83 C 8.22 4.36 0.00 3.05 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 84 I 7.38 4.19 1.85 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 1.29 0.56 0.90 0.00 0.00 85 D 8.88 4.49 0.00 2.61 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 86 D 7.29 4.62 0.00 2.58 2.48 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 0.00 87 R 8.28 4.16 0.00 1.98 2.04 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 88 I 7.19 4.05 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.59 0.00 0.00 89 P 0.00 4.43 0.00 2.17 2.04 0.00 3.33 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 90 T 8.27 4.26 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 91 D 7.97 4.52 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.12 0.00 3.69 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 2.13 2.12 0.00 93 T 7.62 3.92 4.49 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 1.35 0.00 0.00 *95 Y 7.93 4.64 0.00 3.23 3.23 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 96 R 7.99 4.15 0.00 1.59 1.74 0.00 3.41 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 97 F 8.05 4.10 0.00 3.10 3.15 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 98 Y 7.82 4.14 0.00 2.92 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 99 E 8.12 4.02 0.00 1.95 1.96 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 2.30 2.38 0.00 *101 L 7.94 4.21 0.00 1.62 1.59 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.63 3.84 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 1.67 2.36 0.00 103 V 7.69 3.64 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 0.12 0.00 0.00 0.82 0.00 0.00 104 Y 7.57 4.71 0.00 3.02 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 0.00 105 G 8.15 3.64 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 0.00 0.00 0.00 106 T 7.83 3.98 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 107 T 7.92 3.90 4.64 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 1.34 0.00 0.00 108 L 8.43 4.00 0.00 1.84 1.73 0.95 0.71 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 0.00 109 K 8.19 3.76 0.00 1.82 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.44 7.81 110 A 8.28 4.02 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 0.00 111 L 8.39 4.07 0.00 1.78 1.75 0.94 0.77 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 0.00 112 V 8.17 3.83 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 1.08 0.00 0.00 0.96 0.00 0.00 113 H 8.37 4.88 0.00 3.25 3.33 0.00 5.68 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 0.00 114 E 8.19 3.94 0.00 2.04 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 2.29 2.33 0.00 115 K 8.16 4.00 0.00 1.52 1.19 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.55 7.81 116 F 8.70 4.07 0.00 2.52 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 0.00 117 G 7.23 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 0.00 118 D 8.63 4.65 0.00 2.72 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 0.00 119 G 7.94 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 0.00 0.00 0.00 0.00 120 I 8.29 4.81 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.22 0.92 0.00 0.00 121 I 8.11 4.62 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.69 0.96 0.00 0.00 122 S 9.14 4.25 0.00 3.89 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 0.00 123 A 8.44 3.97 0.97 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 0.00 124 I 7.68 4.29 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.93 0.00 0.00 125 N 8.15 4.77 0.00 2.79 2.75 0.00 0.00 6.72 8.03 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 0.00 126 F 8.06 5.38 0.00 3.10 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 0.00 127 K 8.09 4.58 0.00 1.64 1.67 0.00 1.21 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.10 1.12 7.81 128 L 8.06 5.20 0.00 1.73 1.37 1.02 0.71 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 0.00 129 D 8.67 4.78 0.00 2.70 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 0.00 130 V 8.31 4.77 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.02 4.71 0.00 1.82 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.50 7.81 132 K 8.62 4.85 0.00 1.78 1.72 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.71 4.59 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 0.91 0.00 0.00 0.94 0.00 0.00 134 A 8.68 4.35 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 0.00 135 D 8.98 4.55 0.00 2.68 2.71 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 0.00 136 P 0.00 4.22 0.00 2.08 2.12 0.00 3.73 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 2.03 2.12 0.00 137 E 8.67 4.14 0.00 2.02 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 0.00 2.34 2.25 0.00 138 G 8.51 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 0.00 0.00 0.00 0.00 139 G 9.60 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 0.00 140 E 8.29 5.15 0.00 1.81 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 2.21 2.33 0.00 141 R 9.45 4.82 0.00 1.68 1.78 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.58 5.05 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 0.00 143 V 8.80 4.19 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.34 4.82 2.01 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.96 0.00 0.00 145 T 8.77 4.53 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 1.18 0.00 0.00 146 L 8.58 4.65 0.00 1.64 1.97 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.56 4.70 0.00 2.57 2.43 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 0.00 148 G 8.49 4.64 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 0.00 0.00 0.00 149 K 9.05 4.31 0.00 1.90 1.70 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 150 Y 8.54 4.78 0.00 2.44 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 0.00 151 L 8.54 4.48 0.00 1.42 1.38 0.87 0.69 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 0.00 152 P 0.00 4.54 0.00 2.03 1.96 0.00 3.47 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 153 T 8.59 4.49 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 1.31 0.00 0.00 154 K 8.47 4.78 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 155 P 0.00 4.42 0.00 2.13 1.99 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 156 F 7.70 4.53 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.