NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9522 8.3093 119.3880 56.3649 40.3532 174.5384 2 P 4.1088 0.0000 0.0000 62.8378 31.3040 174.2764 3 T 4.4479 9.3873 117.6365 61.4369 68.4610 174.5440 4 I 4.5243 7.4547 120.6258 58.4650 39.7765 174.2856 5 P 4.4112 0.0000 0.0000 62.4146 33.2568 176.9126 6 L 3.9393 8.6559 121.9706 58.8272 41.8787 179.7351 7 S 4.1563 8.0303 113.3362 61.2806 62.8823 176.3665 8 R 3.9063 7.8939 121.9748 59.1741 30.0179 178.1961 9 L 3.9616 7.8662 118.2700 57.8707 41.6380 179.4544 10 A 4.0705 8.1975 120.6806 54.9001 18.1748 179.2827 11 D 4.3601 8.2046 116.7988 57.7579 41.3851 178.3061 12 N 4.3412 8.5129 117.0020 56.0231 38.4575 177.4343 13 A 3.9473 8.0173 122.2490 54.8669 18.4886 179.4452 14 W 3.9711 8.3012 126.9181 60.6434 30.8396 178.1309 15 L 3.3596 8.2312 119.1281 57.5866 41.0891 179.8533 16 R 3.7593 7.6766 117.4092 59.0657 29.9249 178.9320 17 A 3.8128 7.5064 120.1990 55.0166 18.2535 179.1356 18 D 3.9456 7.3493 116.6445 57.2049 41.0812 178.5279 19 R 3.7604 7.5391 118.9852 59.3879 30.0629 178.5471 20 L 3.9044 7.5794 118.4218 57.7480 41.6008 179.0311 21 N 4.1527 8.2433 117.3162 56.4880 38.7667 176.7245 22 Q 4.0480 8.2921 121.2789 59.0888 29.2638 178.0251 23 L 4.0175 8.1258 121.1475 58.2250 42.2986 178.8141 24 A 4.3040 8.4862 121.2215 55.0423 18.1874 179.5098 25 F 4.1700 8.4516 119.1709 61.7363 39.6042 177.3743 26 D 4.2760 8.5852 119.0191 57.4015 40.5792 178.7975 27 T 4.0788 8.0883 110.2371 64.4767 68.9678 176.3734 28 Y 4.1015 7.9606 122.2409 60.8172 38.7689 178.1518 29 Q 3.7292 8.0201 119.0800 58.6671 28.6636 178.2783 30 E 3.8110 8.1783 120.4918 59.0022 29.5891 178.6366 31 F 3.9769 8.1907 120.7251 61.2323 39.5485 176.6199 32 E 3.7157 8.1462 118.8925 59.3823 29.2108 178.4772 33 E 3.8088 8.0030 117.8656 58.9532 29.7246 178.2604 34 A 3.7443 7.7498 120.5482 54.3111 18.4062 177.7347 35 Y 4.5082 7.3428 112.1992 57.7128 40.3780 175.8997 36 I 4.0683 7.2494 121.1981 58.7179 38.1833 173.9212 37 P 4.3587 0.0000 0.0000 61.9316 32.2891 176.9834 38 K 3.6780 8.7979 121.4167 60.0578 31.4844 178.5353 39 E 4.0087 8.1807 118.0261 59.8065 29.6497 179.1954 40 Q 4.2928 8.2998 117.2747 58.0925 28.7840 178.7313 41 I 3.9056 7.5293 121.1144 64.8486 37.1788 177.9008 42 H 4.6414 8.1186 116.7059 58.7174 28.6059 177.8666 43 S 4.2777 8.0471 113.8814 61.6088 62.1044 176.1214 44 F 4.2922 8.2164 121.5169 60.7975 39.1849 176.3228 45 W 4.3436 8.4075 127.4886 60.4769 30.5723 177.5483 46 W 4.3308 8.1271 116.0731 57.3744 29.7999 176.7338 47 N 4.8301 7.6718 115.4986 49.9976 39.1596 171.4879 48 P 2.9700 0.0000 0.0000 62.2490 32.5568 178.2626 49 Q 4.3716 7.6579 120.5440 55.3634 27.4985 176.1803 50 T 4.3366 7.6484 119.8770 66.0073 69.4678 177.1796 51 S 4.2179 8.0681 117.6071 61.4414 63.0749 175.6718 52 L 4.1183 7.7855 119.1431 57.5213 41.2352 177.0621 53 C 4.4870 8.0466 117.1501 56.2445 40.2242 173.0148 54 P 3.9252 0.0000 0.0000 64.8280 31.2233 177.3170 55 S 4.5152 7.8000 110.9777 57.8111 63.8171 175.2391 56 E 3.8920 7.7937 122.4759 59.7047 29.3462 178.6150 57 S 4.2247 7.9676 111.2744 60.7921 63.3703 174.3866 58 I 3.9339 7.6143 123.0846 59.8329 37.1129 173.6968 59 P 4.4506 0.0000 0.0000 62.5428 31.6447 175.7022 60 T 4.6668 8.1475 113.1529 58.2329 71.5163 171.9645 61 P 4.5052 0.0000 0.0000 62.9107 31.5995 176.6344 62 S 4.2679 8.5783 118.1868 60.3805 63.4632 174.1661 63 N 5.1456 7.6999 116.7811 49.8766 41.7071 175.1582 64 K 4.0908 8.5499 119.5317 59.2860 31.9078 179.1981 65 E 4.3364 8.1672 118.7126 58.2084 29.6336 178.3602 66 E 4.0917 7.9814 119.8501 58.9340 29.9185 178.6003 67 T 3.9741 7.8276 115.8917 66.8353 68.3775 176.6383 68 Q 4.0706 8.2902 119.8588 59.0347 28.4393 178.9480 69 Q 4.0229 7.5578 116.5684 57.0906 29.1694 176.7553 70 K 4.1886 7.3686 119.9537 55.5994 32.9769 177.6822 71 S 4.4235 8.5533 118.0790 57.8173 65.2342 175.2922 72 N 4.2593 8.5897 119.6401 56.6271 38.2791 177.4530 73 L 4.0249 7.8492 120.9851 57.8644 42.2172 178.8057 74 E 3.9094 7.8207 117.5967 59.4163 29.5079 179.2442 75 L 3.8320 8.0425 119.0063 57.5585 41.5553 179.6519 76 L 4.0755 8.0176 119.2562 57.5016 41.6550 179.4002 77 R 3.8835 8.0028 118.7586 59.3885 30.0573 178.5865 78 I 3.6939 7.7448 119.5263 64.6421 37.1623 178.4555 79 S 4.2973 8.2360 115.8852 61.7289 62.6111 176.6722 80 L 4.0140 8.1663 122.8757 58.2138 41.9265 179.0863 81 L 4.0809 7.9721 118.7821 57.6797 41.2865 179.5060 82 L 4.1714 7.8791 118.4428 57.7815 41.8902 179.2267 83 I 4.0446 8.0313 119.8957 64.5580 36.5421 178.5582 84 Q 4.1372 8.6557 119.5783 58.6429 28.3138 178.3893 85 S 4.3111 8.0057 113.5252 59.7979 63.6225 175.3985 86 W 4.4384 8.0947 122.0317 57.3551 29.1037 177.9945 87 L 4.1844 7.5806 118.3410 57.7213 41.1036 178.7648 88 E 4.1339 8.0743 117.5692 58.5909 29.9285 176.6525 89 P 4.0339 0.0000 0.0000 65.8149 31.3414 178.7829 90 V 3.8543 8.1469 117.1289 64.4959 31.1664 178.2995 91 Q 3.9166 7.4831 119.0355 58.8602 28.2205 178.4389 92 F 4.6749 7.2776 117.6636 59.6067 39.0722 176.4681 93 L 4.4326 7.9402 117.6880 54.4464 41.7201 177.9393 94 R 4.0575 7.9591 120.8434 60.1241 29.9469 178.5138 95 S 4.1846 8.1152 113.9582 61.1603 62.6978 176.5686 96 V 3.5371 7.6962 120.7360 66.2515 31.2560 178.0450 97 F 4.2298 7.7760 117.0111 60.4223 38.4911 177.6607 98 A 4.1194 8.2323 119.8310 54.8964 18.2678 178.7187 99 N 4.5761 8.0479 113.0289 53.6578 39.3690 175.8493 100 S 4.4305 7.2087 115.7563 58.3756 62.9547 173.7057 101 L 4.4571 8.7687 125.7800 54.7057 42.0857 177.2375 102 V 3.7665 7.7158 120.9554 62.2310 31.9753 174.5626 103 Y 4.2495 8.7443 127.9727 59.6355 38.6861 176.5866 104 G 3.4965 8.5028 114.7452 45.3264 0.0000 174.1192 105 A 4.1781 8.2382 123.7206 55.2102 18.6121 180.3328 106 S 4.8548 8.4033 108.4900 60.1573 63.2979 174.5860 107 D 4.8640 7.9229 118.3134 52.8499 39.4488 175.7107 108 S 4.2609 7.6178 115.6664 58.3465 63.6493 174.3481 109 N 4.6035 8.3284 123.2897 52.3414 39.0382 175.5714 110 V 3.4909 7.8932 128.0871 65.2152 31.7411 176.8901 111 Y 4.0727 8.0014 119.3243 60.8613 38.6841 177.4484 112 D 4.1946 8.5157 119.8786 57.2202 40.7510 178.7311 113 L 3.9303 7.5981 119.7006 57.6969 41.4718 179.5611 114 L 3.9848 7.6688 118.6435 57.5166 41.5949 179.6143 115 K 3.8214 7.6703 118.5530 59.3513 31.9048 179.1417 116 D 4.3055 8.1122 119.3456 57.1704 40.6117 178.6058 117 L 3.9367 7.5779 121.0109 57.9013 42.1038 178.3900 118 E 3.8855 8.4019 119.7015 59.4321 29.5418 178.5507 119 E 4.0561 8.2635 119.3573 58.9332 29.7547 178.9226 120 G 3.6331 8.0534 105.9421 47.9800 0.0000 175.7909 121 I 3.7945 8.0125 122.7437 64.0802 37.0844 178.6216 122 Q 4.0297 8.1176 118.9939 59.1710 28.0165 178.9117 123 T 3.8712 7.9939 116.7849 66.6583 68.2773 176.6885 124 L 4.0352 7.6299 119.4800 58.0376 41.9804 179.1640 125 M 4.3088 8.2995 118.8109 58.4004 31.6860 179.0257 126 G 3.6928 7.8954 104.7626 47.8959 0.0000 175.6523 127 R 4.1362 7.6703 118.6900 58.1957 30.1981 177.9445 128 L 4.5141 7.5343 115.9699 54.1791 42.2966 177.0249 129 E 4.0101 8.3215 118.0295 57.1222 30.1907 176.5665 *155 A 4.3962 8.4368 125.8637 52.7740 21.8035 179.6971 156 L 4.1915 7.9542 114.5658 58.1300 41.8115 179.5000 157 L 4.2199 7.9365 118.6292 57.1057 42.2055 178.3476 158 K 4.1248 8.0430 119.4044 59.4289 32.3298 178.2670 159 N 4.3417 8.4808 117.0550 56.2982 38.4249 176.8076 160 Y 4.2445 8.5331 121.3711 60.6427 39.0003 178.3039 161 G 3.6558 8.0830 106.3622 47.7112 0.0000 175.5252 162 L 4.3186 7.9925 122.3037 57.8740 42.1572 179.0221 163 L 4.0719 8.1672 119.1915 57.6254 41.5153 178.6881 164 Y 3.3943 8.1156 119.6541 60.8957 38.7317 177.7547 165 C 4.1991 8.4039 117.1676 59.7077 41.3447 175.9482 166 F 3.5744 8.5448 122.5698 61.1127 38.9354 176.7557 167 N 3.9896 8.0043 116.7019 56.3732 38.6674 176.7487 168 K 3.6918 7.6181 121.0169 59.5233 32.2415 178.6216 169 D 4.3209 8.0697 119.1904 57.5040 40.9360 178.6898 170 M 3.8322 7.7243 119.1885 57.8262 31.7981 178.8006 171 S 3.9880 7.7654 113.7506 61.1098 62.5117 176.3216 172 K 3.4909 7.5813 120.7441 59.2550 31.6993 179.4864 173 V 3.4496 7.4483 118.4362 65.9929 31.4432 177.8992 174 S 4.1298 7.8167 112.5138 61.8490 62.3245 176.3811 175 T 4.1440 7.7582 118.3449 66.8758 68.2525 176.5574 176 Y 4.4889 8.1620 119.1568 60.9059 37.8114 178.1961 177 L 4.2261 8.3759 120.1321 57.3448 41.9498 179.2288 178 R 3.4045 8.2660 118.7260 59.0834 29.8216 178.8903 179 T 3.8198 7.8266 115.4352 66.5993 68.5701 176.7749 180 V 4.1144 7.6242 121.3754 65.5424 31.2595 177.8006 181 Q 3.9205 7.9718 118.1402 59.4974 29.0826 177.4295 182 C 4.4529 8.1730 117.3003 59.3945 39.9848 175.5461 183 R 3.9932 7.7376 117.8562 58.9559 30.5711 178.0475 184 S 4.6558 7.9315 118.9327 57.9512 65.2879 174.6793 185 V 3.5744 8.4864 123.8189 65.7487 31.4826 176.5019 186 E 4.4350 7.8506 120.0090 54.7370 28.7386 175.5966 187 G 4.0517 8.2842 118.9404 45.6510 0.0000 171.8917 188 S 4.9489 7.3566 107.5290 57.8854 63.9147 174.9020 189 C 4.4599 8.3108 116.9676 56.3195 44.3666 175.7725 190 G 3.8107 8.9995 106.7359 44.5225 0.0000 172.8052 191 F 3.9176 8.5220 127.2089 58.4751 39.2308 172.9900 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 1 F 8.31 4.95 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.11 0.00 2.29 2.12 0.00 4.00 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 2.06 2.08 0.00 3 T 9.39 4.45 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 4 I 7.45 4.52 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 1.48 0.79 0.92 0.00 0.00 5 P 0.00 4.41 0.00 2.26 2.17 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 6 L 8.66 3.94 0.00 1.77 1.73 0.92 0.86 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 7 S 8.03 4.16 0.00 4.08 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 8 R 7.89 3.91 0.00 1.95 2.13 0.00 3.24 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 9 L 7.87 3.96 0.00 1.97 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.20 4.07 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 11 D 8.20 4.36 0.00 3.00 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 12 N 8.51 4.34 0.00 2.86 2.84 0.00 0.00 6.96 8.24 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 13 A 8.02 3.95 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 14 W 8.30 3.97 0.00 3.37 3.41 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 15 L 8.23 3.36 0.00 1.79 1.56 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.68 3.76 0.00 1.91 1.86 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 17 A 7.51 3.81 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.35 3.95 0.00 1.58 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 0.00 0.00 0.00 19 R 7.54 3.76 0.00 1.90 1.94 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 20 L 7.58 3.90 0.00 1.83 1.48 0.81 0.32 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 21 N 8.24 4.15 0.00 2.72 2.88 0.00 0.00 6.86 7.89 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 22 Q 8.29 4.05 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 23 L 8.13 4.02 0.00 2.02 1.85 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.49 4.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.45 4.17 0.00 3.34 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.59 4.28 0.00 2.91 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 27 T 8.09 4.08 4.15 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 1.42 0.00 0.00 28 Y 7.96 4.10 0.00 3.20 3.16 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 29 Q 8.02 3.73 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.11 1.44 0.00 30 E 8.18 3.81 0.00 2.03 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 2.26 2.26 0.00 31 F 8.19 3.98 0.00 3.37 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 32 E 8.15 3.72 0.00 2.05 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 2.18 2.21 0.00 33 E 8.00 3.81 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 34 A 7.75 3.74 0.20 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 35 Y 7.34 4.51 0.00 2.37 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 36 I 7.25 4.07 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.42 0.00 0.00 37 P 0.00 4.36 0.00 2.18 2.12 0.00 3.61 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 2.02 1.90 0.00 38 K 8.80 3.68 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.53 7.81 39 E 8.18 4.01 0.00 2.06 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 2.43 2.43 0.00 40 Q 8.30 4.29 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 41 I 7.53 3.91 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.96 0.00 0.00 42 H 8.12 4.64 0.00 3.36 3.58 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.05 4.28 0.00 4.07 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 44 F 8.22 4.29 0.00 3.31 3.38 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 45 W 8.41 4.34 0.00 3.71 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 46 W 8.13 4.33 0.00 3.35 3.33 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 47 N 7.67 4.83 0.00 2.68 2.65 0.00 0.00 6.98 7.68 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 48 P 0.00 2.97 0.00 1.76 1.07 0.00 3.46 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 49 Q 7.66 4.37 0.00 2.35 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.00 0.00 0.00 0.00 0.00 0.00 2.95 2.62 0.00 50 T 7.65 4.34 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 51 S 8.07 4.22 0.00 3.89 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 52 L 7.79 4.12 0.00 1.93 1.85 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.05 4.49 0.00 3.24 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 54 P 0.00 3.93 0.00 1.53 1.73 0.00 3.21 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 55 S 7.80 4.52 0.00 4.06 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.79 3.89 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 2.35 2.31 0.00 57 S 7.97 4.22 0.00 4.02 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 58 I 7.61 3.93 2.04 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 1.37 0.55 0.96 0.00 0.00 59 P 0.00 4.45 0.00 2.17 2.07 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 60 T 8.15 4.67 4.50 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 1.34 0.00 0.00 61 P 0.00 4.51 0.00 2.26 2.19 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 62 S 8.58 4.27 0.00 4.05 4.05 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 63 N 7.70 5.15 0.00 2.96 2.93 0.00 0.00 6.28 6.43 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 64 K 8.55 4.09 0.00 1.80 1.93 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.46 7.81 65 E 8.17 4.34 0.00 2.20 2.21 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 2.70 2.22 0.00 66 E 7.98 4.09 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 67 T 7.83 3.97 4.45 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 1.35 0.00 0.00 68 Q 8.29 4.07 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 69 Q 7.56 4.02 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 70 K 7.37 4.19 0.00 1.82 1.64 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.37 7.81 71 S 8.55 4.42 0.00 4.07 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 72 N 8.59 4.26 0.00 2.74 2.91 0.00 0.00 6.44 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 73 L 7.85 4.02 0.00 1.74 1.65 0.92 0.98 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 74 E 7.82 3.91 0.00 2.29 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 2.29 2.32 0.00 75 L 8.04 3.83 0.00 1.80 1.68 0.90 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 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0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 85 S 8.01 4.31 0.00 3.94 4.06 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 W 8.09 4.44 0.00 3.71 3.46 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 87 L 7.58 4.18 0.00 1.74 1.93 0.95 0.76 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 88 E 8.07 4.13 0.00 1.94 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 2.38 2.33 0.00 89 P 0.00 4.03 0.00 1.84 1.87 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 90 V 8.15 3.85 2.38 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 0.99 0.00 0.00 0.67 0.00 0.00 91 Q 7.48 3.92 0.00 1.65 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 92 F 7.28 4.67 0.00 3.17 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 93 L 7.94 4.43 0.00 1.99 1.62 0.65 0.56 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 94 R 7.96 4.06 0.00 2.10 2.01 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 95 S 8.12 4.18 0.00 3.93 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 96 V 7.70 3.54 1.68 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 0.62 0.00 0.00 0.61 0.00 0.00 97 F 7.78 4.23 0.00 3.05 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 98 A 8.23 4.12 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 99 N 8.05 4.58 0.00 2.97 2.98 0.00 0.00 6.97 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 0.00 100 S 7.21 4.43 0.00 3.96 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 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8.33 4.60 0.00 2.73 2.70 0.00 0.00 6.86 7.71 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 0.00 110 V 7.89 3.49 1.69 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 0.66 0.00 0.00 0.05 0.00 0.00 111 Y 8.00 4.07 0.00 3.16 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 0.00 112 D 8.52 4.19 0.00 2.90 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 0.00 113 L 7.60 3.93 0.00 1.69 1.62 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.67 3.98 0.00 1.71 1.67 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.67 3.82 0.00 1.60 1.68 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.70 0.99 7.81 116 D 8.11 4.31 0.00 2.83 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 0.00 117 L 7.58 3.94 0.00 1.63 1.75 0.91 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 126 G 7.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.67 4.14 0.00 1.95 2.01 0.00 3.32 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 128 L 7.53 4.51 0.00 1.64 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.32 4.01 0.00 1.97 1.74 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 2.23 2.56 0.00 *155 A 8.44 4.40 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 0.00 156 L 7.95 4.19 0.00 1.72 1.74 0.71 0.33 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 0.00 157 L 7.94 4.22 0.00 1.82 1.75 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.04 4.12 0.00 1.95 2.01 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.59 7.81 159 N 8.48 4.34 0.00 3.05 2.35 0.00 0.00 6.61 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 0.00 160 Y 8.53 4.24 0.00 3.39 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 0.00 161 G 8.08 3.66 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 0.00 162 L 7.99 4.32 0.00 2.10 1.79 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.17 4.07 0.00 2.00 1.92 0.45 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.12 3.39 0.00 2.83 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 0.00 165 C 8.40 4.20 0.00 3.66 3.48 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 0.00 166 F 8.54 3.57 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.00 3.99 0.00 2.72 2.58 0.00 0.00 6.91 5.58 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 0.00 168 K 7.62 3.69 0.00 1.36 1.63 0.00 1.57 0.00 0.00 1.26 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.23 7.81 169 D 8.07 4.32 0.00 2.81 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 0.00 170 M 7.72 3.83 0.00 1.62 1.62 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.00 171 S 7.77 3.99 0.00 4.00 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 0.00 172 K 7.58 3.49 0.00 1.73 1.15 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.49 7.81 173 V 7.45 3.45 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 1.05 0.00 0.00 0.95 0.00 0.00 174 S 7.82 4.13 0.00 4.01 4.09 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 0.00 175 T 7.76 4.14 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 1.32 0.00 0.00 176 Y 8.16 4.49 0.00 2.90 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 0.00 177 L 8.38 4.23 0.00 1.94 1.87 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.27 3.40 0.00 1.33 1.67 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.22 0.00 179 T 7.83 3.82 4.45 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 1.22 0.00 0.00 180 V 7.62 4.11 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 1.36 0.00 0.00 1.00 0.00 0.00 181 Q 7.97 3.92 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 182 C 8.17 4.45 0.00 3.10 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 0.00 183 R 7.74 3.99 0.00 1.89 1.95 0.00 3.42 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 184 S 7.93 4.66 0.00 3.90 3.72 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 0.00 185 V 8.49 3.57 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 0.74 0.00 0.00 0.92 0.00 0.00 186 E 7.85 4.44 0.00 1.89 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 0.00 2.15 2.28 0.00 187 G 8.28 4.05 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 0.00 0.00 0.00 188 S 7.36 4.95 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 C 8.31 4.46 0.00 2.94 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 0.00 190 G 9.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 F 8.52 3.92 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.