NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4390 8.3344 116.7922 58.0180 64.3738 173.4775 4 K 3.8562 8.7128 124.4071 57.8763 32.2738 175.4787 5 N 4.9355 8.7500 117.1389 51.8330 42.2288 172.4634 6 T 4.7743 8.2989 121.4575 61.6260 71.9922 173.7206 7 I 3.8934 8.6164 127.3308 61.1761 38.2135 174.3779 8 C 5.1201 8.5244 128.2961 57.7269 32.8817 172.5658 9 L 4.7967 9.0411 126.6784 52.5881 44.4211 175.4050 10 W 4.8701 8.8084 133.6171 57.0639 31.7731 174.7963 11 Y 4.9721 9.1369 123.9698 56.4989 41.2467 174.3706 12 D 5.2462 9.1980 122.1852 53.2166 41.1514 175.9131 13 S 4.0201 8.6816 119.6644 58.8725 62.2307 173.2410 14 A 4.5918 7.7274 119.1998 51.9725 20.2984 178.5769 15 A 2.8214 8.4699 122.0145 55.5198 18.2385 180.4256 16 L 3.6472 7.5023 118.1861 58.0204 42.2114 178.5407 17 E 3.7467 7.8055 118.5468 59.0554 29.5389 178.4533 18 A 2.5800 6.9867 120.4585 54.3899 18.1768 179.3646 19 A 2.9049 6.9828 119.1721 55.2580 18.2502 180.0136 20 T 3.7020 7.6222 114.1430 66.5904 68.3762 176.6243 21 F 4.3864 7.9582 123.9218 61.0791 39.3442 176.8077 22 Y 4.2582 7.8906 116.3562 61.0935 37.4373 178.4315 23 A 4.0727 8.0133 121.1451 54.4703 18.2596 178.6456 24 E 4.1893 7.9291 114.4242 57.5999 29.9578 178.3306 25 T 3.6453 6.8666 116.1456 64.5230 69.4888 174.9602 26 F 4.6588 7.1020 118.1928 55.1667 40.4139 174.2653 27 P 4.3712 0.0000 0.0000 63.3483 32.0693 175.0587 28 D 4.3953 8.5928 116.0100 55.5765 39.7150 173.4366 29 S 4.9652 7.4958 111.7408 57.0945 67.3944 173.2393 30 A 4.7622 8.5611 122.5514 50.9798 22.9429 175.5896 31 V 4.1587 8.4522 120.9506 62.8393 31.8239 175.4447 32 L 4.6722 8.9674 127.6606 56.2449 43.6028 176.7297 33 A 4.5096 7.4915 116.7593 50.8854 22.5079 175.3266 34 V 4.6261 8.2915 119.8581 61.2880 34.3181 174.3764 35 H 4.9672 9.1699 124.9973 54.1715 31.2605 173.5013 36 R 4.9403 8.6162 122.0738 54.6785 32.0583 176.1587 37 A 4.1750 8.8716 124.9340 51.4837 18.8096 177.0883 38 P 4.2781 0.0000 0.0000 64.4741 32.0212 175.8319 39 G 4.2119 7.4893 106.1724 44.0282 0.0000 171.9520 40 D 4.7307 8.4580 119.2511 54.8017 41.2834 175.4610 41 Y 4.9187 8.6363 119.2596 55.0407 41.3483 173.8462 42 P 4.2316 0.0000 0.0000 65.2253 31.2704 177.7604 43 S 4.5264 6.6686 110.3907 57.1636 63.5462 173.4677 44 G 3.6748 6.2487 107.3119 45.9738 0.0000 173.8013 45 K 4.7471 8.3894 119.8440 54.3234 33.5691 176.3489 46 E 4.2884 8.8134 122.1004 58.4334 29.7026 177.5822 47 G 4.0192 9.0961 115.2172 45.1931 0.0000 173.3740 48 D 4.6551 7.9545 119.5567 53.7386 42.4386 175.9335 49 V 3.8362 8.2963 120.9384 63.7000 31.6051 174.8343 50 L 4.5307 9.3048 130.9387 56.7988 43.2696 176.0001 51 T 5.2974 7.6735 107.1016 59.8417 73.1228 172.2485 52 V 4.7898 8.6190 121.4893 61.2800 34.8651 174.1506 53 E 4.9667 9.1759 128.4864 56.0576 30.8985 175.8144 54 F 5.4151 8.8843 118.0855 55.7571 42.4332 172.8877 55 R 5.0031 9.4689 119.4400 54.2480 33.3783 175.7168 56 V 4.9813 7.9745 119.5680 60.3509 32.7861 177.4126 *58 G 3.9596 8.4425 107.3495 45.6199 0.0000 173.3689 59 I 4.6347 7.4892 122.8828 58.7287 39.2988 173.2706 60 P 4.6877 0.0000 0.0000 62.8687 32.6131 175.1921 61 C 5.1921 8.9953 120.9900 57.6212 32.9414 172.6219 62 L 5.1072 8.8982 122.4581 53.4221 45.1657 175.2137 63 G 4.6592 9.6233 114.4910 45.0197 0.0000 171.9637 64 L 5.0392 9.0594 128.1206 53.3909 44.3866 175.3757 65 N 4.8501 9.1175 125.4708 52.6377 37.3008 174.9843 66 G 3.2334 8.4636 108.1092 45.1755 0.0000 171.8665 67 G 4.1315 8.2929 108.6853 43.8645 0.0000 172.0078 68 P 4.6845 0.0000 0.0000 63.1179 31.1339 177.1364 69 A 3.8198 8.1912 123.9118 54.4990 18.4565 178.4288 70 F 4.7974 7.1580 111.8151 55.4909 42.3471 174.5172 71 R 4.6988 8.1477 121.0271 54.5187 33.0703 175.6876 72 H 4.5422 8.5865 118.1461 56.0357 29.8461 174.4313 73 S 4.6900 8.1073 114.6514 57.3840 65.5844 174.5535 74 E 4.4398 8.7674 118.3762 57.7958 29.2239 178.0975 75 A 4.1655 7.7773 122.2235 54.1734 18.6030 177.6740 76 F 4.9068 7.9636 116.3109 56.4053 41.8338 174.2127 77 S 3.8658 6.8555 119.6456 56.6875 66.0691 173.1044 78 F 4.1751 7.4325 120.0997 56.5051 40.2476 174.5139 79 Q 4.7702 8.5121 125.1212 54.4859 30.4056 174.4698 80 V 4.3629 8.9214 127.7653 61.1541 33.4800 174.3647 81 A 5.3308 8.9099 130.3844 51.0092 19.3462 176.3361 82 T 4.8539 8.5429 112.3101 60.2379 71.6720 174.7081 83 D 4.6501 8.6295 122.2864 55.2233 42.0342 176.1827 84 D 4.6417 7.3894 117.9267 51.3108 43.4386 175.5498 85 Q 3.9398 8.5878 118.9727 58.9496 28.9593 177.5143 86 A 3.9640 7.9351 121.5399 55.2617 18.5372 179.1207 87 E 3.9179 8.7227 117.9240 59.4629 29.6773 178.8616 88 T 3.9289 7.8646 115.8841 67.0120 68.5328 176.2056 89 D 4.4077 8.4920 120.9157 57.3145 40.8317 178.8752 90 R 3.8816 8.0725 119.2212 59.4262 30.1617 178.6681 91 L 3.8505 8.0754 118.7614 57.2806 41.7242 179.0109 92 W 4.1670 8.2484 128.3522 60.8419 30.6583 177.8033 93 N 4.4268 8.7208 116.2017 56.0908 37.7991 177.2648 94 A 3.9851 7.9951 122.2468 55.2545 18.3176 179.8447 95 I 3.7436 7.5045 118.0875 64.5498 37.2537 178.9802 96 V 3.4139 7.5506 119.0285 66.0458 31.1096 177.8790 97 D 4.3426 8.2553 118.0324 56.5224 42.0266 177.5629 98 N 4.5453 7.6184 118.9622 52.3131 35.5869 174.7759 99 G 3.6351 7.5186 107.0079 46.1027 0.0000 171.9055 100 G 4.4611 7.3277 107.6335 43.8208 0.0000 173.2700 101 E 4.8901 8.6715 117.6756 54.3819 33.7976 175.6997 102 E 4.1512 8.7536 122.2012 56.6463 30.3770 176.7857 103 S 4.5034 8.7803 115.7707 57.5424 64.9916 172.4028 104 A 4.7930 8.6477 120.1491 52.0352 20.7834 176.5794 105 C 4.1391 9.7367 115.6403 60.9168 25.7970 174.8330 106 G 4.1567 8.8064 108.6249 45.0073 0.0000 174.0225 107 W 5.1016 8.6816 120.9458 57.0089 30.5618 175.3074 108 C 5.2279 9.4928 117.9003 57.4704 33.3387 172.5009 109 R 5.3981 8.8669 116.8437 54.6843 34.1708 175.9193 110 D 5.1582 9.4061 123.2663 51.7337 41.3291 177.0281 111 K 3.8182 7.9186 118.7796 58.0313 31.6994 177.0428 112 W 4.6648 8.4847 115.6622 56.2950 29.3681 176.7660 113 G 4.1067 8.5890 107.1703 45.3617 0.0000 173.9205 114 I 4.1652 8.4641 121.3687 60.7905 38.3099 175.1054 115 S 5.1344 8.5921 120.6812 57.9681 64.3661 173.1416 116 W 5.0715 9.4527 124.0011 54.8977 33.0147 174.3400 117 Q 4.9474 9.1671 122.2478 54.3115 30.9216 174.8116 118 I 4.6849 9.0195 126.4303 60.2548 38.1648 175.4275 119 T 4.5005 8.8878 125.1497 60.5937 70.9276 171.9540 120 P 4.8068 0.0000 0.0000 62.1652 32.1024 178.0929 121 R 3.9063 9.0546 123.4055 59.3769 30.0236 179.4179 122 V 3.5002 7.8048 117.6192 65.9191 31.3876 177.7653 123 L 3.8912 7.7597 119.7903 58.3016 41.6630 178.9958 124 S 4.1481 8.0061 114.6031 61.8365 62.5106 176.5248 125 E 3.9556 8.2844 120.9526 59.0265 29.1623 179.2472 126 A 3.4396 7.6591 120.4560 55.2254 18.2503 179.8589 127 I 3.9553 7.7285 116.5892 63.5810 37.2416 177.4700 128 A 4.5292 7.3316 118.9181 50.8799 19.4754 177.1035 129 S 4.2895 7.0871 113.6872 57.7654 63.0225 172.8884 130 P 4.3644 0.0000 0.0000 65.4042 31.6458 176.7379 131 D 4.6180 7.8601 119.8612 53.8647 39.0286 176.3204 132 R 4.0107 8.2708 122.4665 58.5336 29.7039 178.6264 133 A 3.9456 7.9415 121.0937 54.9155 18.4852 179.2333 134 A 3.6778 8.0461 118.7436 55.0913 18.2636 179.7503 135 A 4.7033 8.0113 120.6573 54.8328 18.4196 179.8761 136 R 3.8932 7.9917 117.2906 59.6723 30.2203 178.9032 137 R 3.9763 8.2417 117.7153 59.2414 29.8326 178.9209 138 A 4.1061 8.0071 119.4790 55.0955 18.5138 179.0694 139 F 4.0948 8.2942 118.0051 61.6825 39.5797 176.9327 140 E 4.3867 8.6830 116.9746 58.4369 30.0720 178.2094 141 A 4.1990 7.8033 121.3053 51.7131 17.0922 177.5293 *144 T 3.9909 8.0339 118.0927 61.4223 71.1649 176.6102 *146 G 3.8799 8.0054 109.5059 46.3570 0.0000 173.9108 147 R 2.5100 7.6069 117.4008 55.3478 31.2516 175.6043 148 I 3.7450 7.7371 125.9134 60.8676 37.8521 175.3863 149 D 4.7723 8.3439 124.7851 52.8219 42.0355 176.7922 150 I 3.6700 8.9258 129.8052 64.3982 37.2789 178.3279 151 A 4.2853 7.8510 122.4454 54.9735 18.2348 179.7137 152 T 3.8842 8.0696 113.9610 66.6932 68.4510 177.0597 153 I 3.7553 7.5745 121.6232 64.5644 37.2186 178.3764 154 E 4.0487 8.2929 119.3480 59.2372 29.0084 179.6488 155 K 4.1295 7.8820 117.4920 59.3113 32.2253 178.9822 156 A 4.1596 7.9100 120.0265 55.0961 18.3995 179.0944 157 F 4.3353 8.2865 118.2371 61.2422 39.5945 175.4703 158 K 4.2159 8.1036 122.4345 56.7362 32.1672 176.0988 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 3 S 8.33 4.44 0.00 3.85 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 4 K 8.71 3.86 0.00 1.76 1.82 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.54 7.81 5 N 8.75 4.94 0.00 2.62 2.62 0.00 0.00 6.75 7.70 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 6 T 8.30 4.77 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 1.13 0.00 0.00 7 I 8.62 3.89 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 1.18 0.41 0.74 0.00 0.00 8 C 8.52 5.12 0.00 2.93 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 9 L 9.04 4.80 0.00 1.89 1.47 1.35 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 W 8.81 4.87 0.00 3.42 2.83 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 11 Y 9.14 4.97 0.00 3.00 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 12 D 9.20 5.25 0.00 3.02 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 13 S 8.68 4.02 0.00 4.17 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 14 A 7.73 4.59 1.47 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 15 A 8.47 2.82 1.23 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 16 L 7.50 3.65 0.00 1.65 1.54 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.81 3.75 0.00 2.02 1.95 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 2.51 2.43 0.00 18 A 6.99 2.58 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 6.98 2.90 0.78 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 0.00 0.00 20 T 7.62 3.70 4.31 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 1.17 0.00 0.00 21 F 7.96 4.39 0.00 3.18 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 22 Y 7.89 4.26 0.00 3.11 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 23 A 8.01 4.07 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.93 4.19 0.00 2.10 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 0.00 2.28 2.16 0.00 25 T 6.87 3.65 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 0.05 0.00 0.00 26 F 7.10 4.66 0.00 2.99 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 27 P 0.00 4.37 0.00 2.20 2.07 0.00 4.12 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 2.05 2.00 0.00 28 D 8.59 4.40 0.00 2.75 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 29 S 7.50 4.97 0.00 4.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.56 4.76 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 31 V 8.45 4.16 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 0.80 0.00 0.00 0.90 0.00 0.00 32 L 8.97 4.67 0.00 1.66 1.70 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.49 4.51 1.12 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 34 V 8.29 4.63 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 35 H 9.17 4.97 0.00 3.14 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.62 4.94 0.00 1.70 1.86 0.00 3.21 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 37 A 8.87 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.28 0.00 2.18 2.17 0.00 3.68 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 1.94 1.91 0.00 39 G 7.49 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 0.00 0.00 0.00 0.00 40 D 8.46 4.73 0.00 2.72 2.65 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 41 Y 8.64 4.92 0.00 3.16 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 42 P 0.00 4.23 0.00 2.15 2.23 0.00 3.96 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 43 S 6.67 4.53 0.00 3.88 3.88 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 44 G 6.25 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 45 K 8.39 4.75 0.00 1.84 1.74 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.33 7.81 46 E 8.81 4.29 0.00 1.87 1.91 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 2.35 2.46 0.00 47 G 9.10 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 48 D 7.95 4.66 0.00 2.89 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 49 V 8.30 3.84 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 0.70 0.00 0.00 0.91 0.00 0.00 50 L 9.30 4.53 0.00 1.72 1.71 0.25 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.67 5.30 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 1.15 0.00 0.00 52 V 8.62 4.79 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 1.01 0.00 0.00 0.86 0.00 0.00 53 E 9.18 4.97 0.00 2.01 1.88 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 2.35 2.35 0.00 54 F 8.88 5.42 0.00 3.32 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 55 R 9.47 5.00 0.00 1.86 1.81 0.00 3.03 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 1.51 1.68 0.00 56 V 7.97 4.98 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 1.27 0.00 0.00 0.57 0.00 0.00 *58 G 8.44 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 0.00 0.00 0.00 59 I 7.49 4.63 1.96 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 1.38 1.11 1.01 0.00 0.00 60 P 0.00 4.69 0.00 2.06 2.14 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 61 C 9.00 5.19 0.00 1.23 2.01 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 62 L 8.90 5.11 0.00 1.63 1.45 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.62 4.66 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 0.00 64 L 9.06 5.04 0.00 1.67 1.38 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.12 4.85 0.00 2.80 2.85 0.00 0.00 6.88 8.47 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 66 G 8.46 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 0.00 0.00 0.00 67 G 8.29 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 0.00 0.00 0.00 0.00 68 P 0.00 4.68 0.00 2.21 2.21 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 69 A 8.19 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.16 4.80 0.00 1.91 2.41 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 71 R 8.15 4.70 0.00 1.75 1.82 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 72 H 8.59 4.54 0.00 3.38 3.36 0.00 5.71 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 73 S 8.11 4.69 0.00 3.99 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 0.00 74 E 8.77 4.44 0.00 1.95 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 2.10 2.63 0.00 75 A 7.78 4.17 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 76 F 7.96 4.91 0.00 2.89 2.84 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 77 S 6.86 3.87 0.00 3.24 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 78 F 7.43 4.18 0.00 2.01 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 79 Q 8.51 4.77 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 80 V 8.92 4.36 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 1.04 0.00 0.00 1.04 0.00 0.00 81 A 8.91 5.33 1.23 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 82 T 8.54 4.85 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 1.27 0.00 0.00 83 D 8.63 4.65 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.39 4.64 0.00 2.89 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 85 Q 8.59 3.94 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 86 A 7.94 3.96 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 87 E 8.72 3.92 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 88 T 7.86 3.93 4.39 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 0.00 0.00 0.00 1.23 0.00 0.00 89 D 8.49 4.41 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.07 3.88 0.00 1.99 1.91 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 91 L 8.08 3.85 0.00 1.85 1.78 1.09 0.40 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 92 W 8.25 4.17 0.00 3.55 3.31 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 93 N 8.72 4.43 0.00 2.93 3.07 0.00 0.00 6.98 7.70 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 94 A 8.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.50 3.74 1.70 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.45 0.93 0.00 0.00 96 V 7.55 3.41 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.16 0.00 0.00 97 D 8.26 4.34 0.00 2.69 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 98 N 7.62 4.55 0.00 2.54 2.43 0.00 0.00 7.23 8.13 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 99 G 7.52 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 0.00 100 G 7.33 4.46 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 0.00 101 E 8.67 4.89 0.00 1.84 1.78 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 2.19 2.41 0.00 102 E 8.75 4.15 0.00 1.98 2.22 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 2.38 2.36 0.00 103 S 8.78 4.50 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.65 4.79 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 9.74 4.14 0.00 3.29 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 0.00 106 G 8.81 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 0.00 107 W 8.68 5.10 0.00 3.50 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 0.00 108 C 9.49 5.23 0.00 2.57 1.95 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 0.00 109 R 8.87 5.40 0.00 1.79 1.92 0.00 3.25 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 110 D 9.41 5.16 0.00 3.26 3.30 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 0.00 111 K 7.92 3.82 0.00 0.99 0.74 0.00 0.95 0.00 0.00 0.98 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.82 7.81 112 W 8.48 4.66 0.00 3.97 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 0.00 0.00 0.00 0.00 114 I 8.46 4.17 2.71 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.57 0.95 0.00 0.00 115 S 8.59 5.13 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 9.45 5.07 0.00 3.32 3.19 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 0.00 117 Q 9.17 4.95 0.00 1.60 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 118 I 9.02 4.68 2.21 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 1.09 0.00 0.00 119 T 8.89 4.50 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 0.00 120 P 0.00 4.81 0.00 2.04 1.97 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 121 R 9.05 3.91 0.00 1.82 1.97 0.00 3.13 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 122 V 7.80 3.50 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 0.95 0.00 0.00 0.89 0.00 0.00 123 L 7.76 3.89 0.00 1.79 1.82 0.91 0.98 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 0.00 124 S 8.01 4.15 0.00 4.01 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 0.00 125 E 8.28 3.96 0.00 1.91 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 2.30 2.44 0.00 126 A 7.66 3.44 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 0.00 127 I 7.73 3.96 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.72 1.14 0.00 0.00 128 A 7.33 4.53 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 0.00 129 S 7.09 4.29 0.00 4.10 4.10 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 0.00 130 P 0.00 4.36 0.00 2.24 2.19 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 131 D 7.86 4.62 0.00 2.67 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 0.00 132 R 8.27 4.01 0.00 2.05 2.19 0.00 3.18 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 133 A 7.94 3.95 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 0.00 134 A 8.05 3.68 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 0.00 135 A 8.01 4.70 1.58 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 0.00 136 R 7.99 3.89 0.00 2.05 2.15 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 137 R 8.24 3.98 0.00 2.08 2.10 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 138 A 8.01 4.11 1.59 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 0.00 0.00 139 F 8.29 4.09 0.00 3.23 3.26 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 0.00 140 E 8.68 4.39 0.00 2.16 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 2.67 2.54 0.00 141 A 7.80 4.20 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 *144 T 8.03 3.99 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 1.25 0.00 0.00 *146 G 8.01 3.88 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 0.00 0.00 0.00 147 R 7.61 2.51 0.00 0.67 1.15 0.00 3.28 0.00 0.00 2.85 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.00 148 I 7.74 3.74 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.86 0.00 0.00 149 D 8.34 4.77 0.00 2.70 2.50 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 0.00 150 I 8.93 3.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.89 0.00 0.00 151 A 7.85 4.29 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 0.00 152 T 8.07 3.88 4.37 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 1.21 0.00 0.00 153 I 7.57 3.76 2.02 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 1.70 0.83 0.91 0.00 0.00 154 E 8.29 4.05 0.00 2.21 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 2.31 2.50 0.00 155 K 7.88 4.13 0.00 1.93 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.78 7.81 156 A 7.91 4.16 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 0.00 157 F 8.29 4.34 0.00 3.13 3.31 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 0.00 158 K 8.10 4.22 0.00 2.00 1.87 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.