NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6346 0.0000 0.0000 62.6887 33.0740 174.8535 3 S 5.2377 8.5981 115.5332 54.7581 66.1425 171.3374 4 I 4.7951 9.4794 115.2623 59.2264 42.0440 175.1403 5 K 4.9877 8.5456 122.1067 55.4221 33.9880 175.5643 6 L 5.2045 9.1580 124.7723 52.9430 44.9918 175.1501 7 Q 5.2276 9.0556 124.5653 54.1532 31.6134 175.3604 8 S 4.9668 9.2661 122.2821 57.8692 64.3588 175.6041 9 S 4.1760 9.4404 115.3471 60.9539 62.8113 175.3556 10 D 4.6929 8.1921 118.6603 52.9840 39.2271 177.2295 11 G 3.9466 8.1357 107.9939 45.5315 0.0000 173.7570 12 E 4.1372 8.0812 121.2092 55.7231 30.3736 175.0565 13 I 4.8370 7.9517 126.2240 60.1869 39.0365 174.9771 14 F 4.6154 9.5604 124.9499 55.5276 42.1395 173.8046 15 E 4.8010 8.9710 125.4516 55.6485 30.0777 175.7177 16 V 4.6807 8.8904 120.3600 59.0914 36.2517 174.9219 17 D 4.7279 8.5914 122.6050 54.1714 41.8227 177.7472 18 V 3.6830 8.7787 120.5816 64.0410 31.5460 178.1950 19 E 4.1188 9.0446 118.9864 58.3650 29.1406 178.8396 20 I 3.7542 8.0501 113.8508 63.6646 36.9577 177.7909 21 A 3.9009 8.1263 122.8754 55.2495 17.9133 179.4924 22 K 3.7207 7.9718 115.4268 58.6604 32.2522 177.7565 23 Q 4.3758 8.7832 118.1652 56.2016 30.9203 174.8267 24 S 4.8546 7.4219 112.9234 56.6321 63.1635 174.5851 25 V 3.5474 8.0737 130.4468 66.1589 31.3829 178.0379 26 T 3.7520 7.7002 115.4055 66.6480 68.2047 176.7374 27 I 3.6907 7.8347 121.8262 63.9627 37.0054 178.2835 28 K 3.8551 8.2312 120.7547 59.9338 32.0052 178.8168 29 T 3.8483 8.1854 116.1926 67.0923 68.3983 176.5379 30 M 4.0871 7.9197 120.1277 58.0744 31.6784 178.6111 31 L 3.8906 8.0488 120.1299 58.2443 42.4627 178.6620 32 E 4.1202 8.2682 117.5187 59.4867 29.7523 178.1009 33 D 4.6105 8.4393 116.0388 55.5387 41.4811 176.4619 34 L 4.4965 8.3427 116.2314 57.4132 44.0288 175.1323 35 G 3.6347 8.8112 107.6263 41.6381 0.0000 173.7977 36 M 2.8320 8.4102 121.0121 55.6952 29.1907 176.8583 *43 D 4.7551 7.7219 118.4849 53.5027 43.5043 173.3881 44 P 4.5720 0.0000 0.0000 62.1282 32.3529 175.6971 45 V 3.9528 8.9702 126.6815 61.6148 32.2835 173.2895 46 P 4.8445 0.0000 0.0000 62.4399 32.2810 176.9971 47 L 5.1137 9.1876 124.8530 50.8387 41.5710 175.4300 48 P 4.3203 0.0000 0.0000 64.8186 31.7168 177.7964 49 N 4.4543 7.6439 114.5802 52.7316 38.8973 174.7935 50 V 4.3256 7.4993 112.6423 58.7636 35.0939 175.2622 51 N 5.1295 8.7488 123.4922 51.1830 39.8467 175.8670 52 A 4.2029 9.3369 123.5088 55.5090 18.3047 179.9948 53 A 4.0067 8.0965 118.4915 55.6334 18.4842 179.8600 54 I 3.7274 8.8584 118.6468 64.1702 37.1432 178.3537 55 L 3.7986 8.4279 121.6603 57.8741 41.7649 178.8731 56 K 3.7356 8.1719 119.8559 59.5093 32.0678 178.8745 57 K 4.2264 7.8805 118.7558 59.4705 31.9082 179.4231 58 V 3.7392 8.2164 118.8577 66.2903 31.4005 178.0717 59 I 3.7266 8.1660 119.8779 64.4504 36.9267 178.1870 60 Q 4.0656 8.5931 120.8184 59.0099 28.9506 178.2039 61 W 3.7742 8.6424 129.6980 60.4950 30.7854 177.8544 62 C 4.4104 8.6051 118.4048 62.4671 27.3464 176.0930 63 T 3.7516 7.9513 116.7080 66.9799 68.1664 175.6860 64 H 3.6894 7.6369 118.4260 58.9874 29.9345 176.0037 65 H 4.4394 7.4770 117.1275 54.5339 28.3565 177.1668 66 K 3.8909 7.4273 121.2384 59.4068 32.4199 177.4668 67 D 4.6290 7.5765 117.1013 54.0707 41.2313 176.8456 68 D 4.4612 7.4756 121.1238 53.0823 42.7205 173.2139 *86 P 4.2961 0.0000 0.0000 62.9448 33.8125 177.6611 87 V 3.6908 8.3475 120.4257 65.8409 31.5253 178.3338 88 W 4.0341 8.2889 127.7533 60.5489 30.6827 177.4893 89 D 4.8069 8.5797 118.4356 57.6770 40.1283 178.6062 90 Q 4.0733 8.0160 117.5334 58.9231 29.0377 178.3434 91 E 3.9575 8.0548 120.1047 59.2466 29.4931 178.5204 92 F 3.7744 7.9609 119.6633 60.8215 39.4058 176.1037 93 L 4.2585 8.0728 115.8410 54.2207 43.0546 178.1546 94 K 4.3100 7.4435 122.2494 54.5409 28.9047 174.6335 95 V 4.4077 6.6122 113.7396 57.9635 36.7862 175.3335 96 D 4.2403 8.4400 118.1304 54.9426 42.2852 177.0119 97 Q 3.9550 8.7527 126.8989 59.4166 29.0353 178.9585 98 G 3.7387 8.1994 106.0317 47.9128 0.0000 175.7108 99 T 4.1153 7.7610 116.9263 66.2953 68.3986 176.6918 100 L 3.9381 7.7820 122.3954 57.9833 42.1134 178.8069 101 F 4.2430 8.2670 120.7472 61.3934 39.3498 177.0571 102 E 3.3227 8.3213 118.4306 59.0092 29.1940 179.2988 103 L 3.9604 8.2073 119.5514 57.6709 41.6525 179.5579 104 I 3.6055 7.6204 119.7140 64.3824 37.0044 178.4549 105 L 3.8771 7.6043 119.4654 57.7541 41.3845 179.5555 106 A 4.0252 8.3633 120.8977 55.0249 18.2186 179.4834 107 A 3.8824 8.4135 119.7803 55.1269 18.2359 179.4471 108 N 4.1782 8.1487 115.5100 56.9794 38.7653 176.3839 109 Y 4.2118 8.2820 121.2638 60.8398 39.0625 177.7703 110 L 3.8629 8.4939 118.5525 54.1377 43.1034 175.3849 111 D 4.4533 7.5346 118.6930 55.3396 39.5649 173.3227 112 I 4.7754 7.8878 121.0677 57.4275 38.0013 176.4612 113 K 3.8632 8.6806 125.9839 59.6802 32.2154 178.0532 114 G 3.7437 8.1197 104.9906 47.5713 0.0000 175.2921 115 L 2.7039 7.0895 122.0335 57.2033 42.0557 178.4220 116 L 3.8105 7.6307 120.2551 58.2745 42.0409 178.6626 117 D 4.3374 8.2500 119.0249 57.5838 40.8109 179.1220 118 V 3.7714 7.7298 118.3652 65.8217 31.6176 178.1565 119 T 4.0091 7.9763 109.9161 64.7989 68.6257 176.6521 120 C 4.2275 8.2802 119.6557 62.4853 28.0799 176.1323 121 K 4.0169 8.1234 120.1999 59.6668 31.3586 179.5182 122 T 3.8993 7.7618 115.4251 66.5958 68.6469 176.5954 123 V 3.8736 7.7923 119.7090 65.9614 31.5844 177.8486 124 A 4.0339 8.3810 120.8820 55.3847 18.0058 179.2410 125 N 4.5164 8.3418 113.5481 55.8856 38.6552 176.6926 126 M 4.3615 8.0122 118.9312 56.7013 32.6910 177.9583 127 I 4.0364 7.4836 119.9312 62.4182 37.9422 176.0261 128 K 3.9814 7.7838 120.4063 57.9854 32.2987 176.9605 129 G 3.9489 8.9720 113.1168 45.5455 0.0000 172.8235 130 K 4.6399 7.7161 118.1938 54.6035 35.3020 175.9914 131 T 4.5794 8.0948 110.6110 59.6257 72.0061 173.5885 132 P 4.2059 0.0000 0.0000 66.5553 30.7998 178.2678 133 E 3.9257 8.1347 117.3563 59.4144 29.4549 178.5347 134 E 3.9289 7.8007 117.4738 59.6865 29.6207 179.3915 135 I 3.7934 7.6743 119.1957 64.8888 37.0552 178.3697 136 R 3.9366 7.9453 117.1462 59.1846 30.1623 178.9002 137 K 4.0992 8.0711 119.4934 59.6937 32.1187 178.7160 138 T 3.8775 8.4050 109.3040 64.8313 68.5585 175.1715 139 F 5.3211 8.2347 120.8163 56.8982 39.2798 176.2884 140 N 4.5752 8.3779 122.4075 52.5789 37.3842 179.4875 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 P 0.00 4.63 0.00 1.78 1.99 0.00 3.63 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 1.92 1.60 0.00 3 S 8.60 5.24 0.00 4.03 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 4 I 9.48 4.80 1.89 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 1.25 1.33 0.92 0.00 0.00 5 K 8.55 4.99 0.00 1.76 1.80 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.54 7.81 6 L 9.16 5.20 0.00 1.68 1.61 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.06 5.23 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 8 S 9.27 4.97 0.00 4.18 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 9 S 9.44 4.18 0.00 3.98 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 10 D 8.19 4.69 0.00 2.83 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 11 G 8.14 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 0.00 0.00 0.00 12 E 8.08 4.14 0.00 2.05 1.93 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 1.54 1.97 0.00 13 I 7.95 4.84 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 1.33 0.97 0.92 0.00 0.00 14 F 9.56 4.62 0.00 3.00 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 15 E 8.97 4.80 0.00 1.98 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 2.28 2.42 0.00 16 V 8.89 4.68 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 0.76 0.00 0.00 1.05 0.00 0.00 17 D 8.59 4.73 0.00 2.71 2.54 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 0.00 18 V 8.78 3.68 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 0.81 0.00 0.00 0.95 0.00 0.00 19 E 9.04 4.12 0.00 1.97 1.98 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 2.40 2.43 0.00 20 I 8.05 3.75 1.89 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 1.62 0.83 1.04 0.00 0.00 21 A 8.13 3.90 1.41 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 0.00 0.00 22 K 7.97 3.72 0.00 2.00 1.89 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 23 Q 8.78 4.38 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 24 S 7.42 4.85 0.00 3.68 3.73 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 25 V 8.07 3.55 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 1.01 0.00 0.00 0.96 0.00 0.00 26 T 7.70 3.75 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 0.79 0.00 0.00 27 I 7.83 3.69 1.84 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 1.37 0.61 0.90 0.00 0.00 28 K 8.23 3.86 0.00 2.02 1.97 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.58 7.81 29 T 8.19 3.85 4.33 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 1.19 0.00 0.00 30 M 7.92 4.09 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 31 L 8.05 3.89 0.00 1.84 1.78 0.93 0.87 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 32 E 8.27 4.12 0.00 1.95 1.98 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 2.34 2.58 0.00 33 D 8.44 4.61 0.00 2.82 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 34 L 8.34 4.50 0.00 1.74 1.65 0.92 0.94 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 35 G 8.81 3.63 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 0.00 0.00 0.00 36 M 8.41 2.83 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 *43 D 7.72 4.76 0.00 2.65 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 4.57 0.00 2.00 2.01 0.00 3.74 0.00 0.00 3.60 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 45 V 8.97 3.95 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 1.03 0.00 0.00 1.00 0.00 0.00 46 P 0.00 4.84 0.00 2.02 2.01 0.00 3.70 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 2.05 2.25 0.00 47 L 9.19 5.11 0.00 1.65 1.82 0.95 1.10 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 48 P 0.00 4.32 0.00 2.16 2.21 0.00 4.01 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 49 N 7.64 4.45 0.00 1.44 2.00 0.00 0.00 6.70 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 50 V 7.50 4.33 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 0.86 0.00 0.00 1.06 0.00 0.00 51 N 8.75 5.13 0.00 3.20 2.94 0.00 0.00 6.60 7.46 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 52 A 9.34 4.20 1.67 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 53 A 8.10 4.01 1.41 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 0.00 0.00 54 I 8.86 3.73 1.84 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 1.60 1.02 0.87 0.00 0.00 55 L 8.43 3.80 0.00 1.65 1.45 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.17 3.74 0.00 2.16 2.06 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.75 7.81 57 K 7.88 4.23 0.00 2.02 2.09 0.00 1.85 0.00 0.00 1.58 0.00 0.00 2.64 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.78 1.58 7.81 58 V 8.22 3.74 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 1.15 0.00 0.00 1.00 0.00 0.00 59 I 8.17 3.73 2.02 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.97 0.00 0.00 60 Q 8.59 4.07 0.00 2.31 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.68 0.00 61 W 8.64 3.77 0.00 2.98 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 62 C 8.61 4.41 0.00 3.20 3.02 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 63 T 7.95 3.75 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 1.15 0.00 0.00 64 H 7.64 3.69 0.00 2.21 2.34 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.48 4.44 0.00 2.32 2.67 0.00 5.88 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.43 3.89 0.00 1.80 1.96 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.29 7.81 67 D 7.58 4.63 0.00 2.49 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.48 4.46 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 P 0.00 4.30 0.00 2.70 2.12 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 87 V 8.35 3.69 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 88 W 8.29 4.03 0.00 3.45 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 89 D 8.58 4.81 0.00 3.19 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 90 Q 8.02 4.07 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 91 E 8.05 3.96 0.00 1.96 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 0.00 1.97 2.15 0.00 92 F 7.96 3.77 0.00 1.74 3.02 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 93 L 8.07 4.26 0.00 1.72 1.69 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.44 4.31 0.00 1.92 1.75 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 95 V 6.61 4.41 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 0.55 0.00 0.00 0.81 0.00 0.00 96 D 8.44 4.24 0.00 2.73 2.53 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 97 Q 8.75 3.96 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 98 G 8.20 3.74 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 0.00 0.00 0.00 99 T 7.76 4.12 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 1.13 0.00 0.00 100 L 7.78 3.94 0.00 1.92 1.86 0.90 0.79 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 0.00 101 F 8.27 4.24 0.00 3.20 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 0.00 102 E 8.32 3.32 0.00 2.05 1.80 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 2.28 2.66 0.00 103 L 8.21 3.96 0.00 1.79 1.66 0.86 0.80 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 0.00 104 I 7.62 3.61 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.90 0.00 0.00 105 L 7.60 3.88 0.00 1.52 1.53 0.47 0.98 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 0.00 106 A 8.36 4.03 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 0.00 107 A 8.41 3.88 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 0.00 108 N 8.15 4.18 0.00 2.92 3.00 0.00 0.00 6.83 7.46 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 0.00 109 Y 8.28 4.21 0.00 2.96 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 0.00 110 L 8.49 3.86 0.00 1.71 1.59 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.53 4.45 0.00 2.69 2.55 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 0.00 112 I 7.89 4.78 1.72 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 1.33 1.45 0.91 0.00 0.00 113 K 8.68 3.86 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.53 7.81 114 G 8.12 3.74 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 0.00 0.00 0.00 115 L 7.09 2.70 0.00 0.27 1.18 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.63 3.81 0.00 1.70 1.76 0.87 1.12 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 0.00 117 D 8.25 4.34 0.00 2.71 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 0.00 118 V 7.73 3.77 2.19 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 1.22 0.00 0.00 1.09 0.00 0.00 119 T 7.98 4.01 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 1.19 0.00 0.00 120 C 8.28 4.23 0.00 3.01 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 0.00 121 K 8.12 4.02 0.00 2.01 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.68 7.81 122 T 7.76 3.90 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 123 V 7.79 3.87 2.33 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 1.28 0.00 0.00 1.09 0.00 0.00 124 A 8.38 4.03 1.41 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 0.00 0.00 125 N 8.34 4.52 0.00 2.91 2.93 0.00 0.00 7.06 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 0.00 126 M 8.01 4.36 0.00 2.17 2.57 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 127 I 7.48 4.04 2.02 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 0.85 0.00 0.00 128 K 7.78 3.98 0.00 1.82 1.75 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.41 7.81 129 G 8.97 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 0.00 0.00 0.00 130 K 7.72 4.64 0.00 1.94 1.74 0.00 1.98 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 131 T 8.09 4.58 4.24 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 1.25 0.00 0.00 132 P 0.00 4.21 0.00 2.26 2.37 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 133 E 8.13 3.93 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 0.00 134 E 7.80 3.93 0.00 2.34 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 2.35 2.43 0.00 135 I 7.67 3.79 2.00 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 1.51 0.65 0.69 0.00 0.00 136 R 7.95 3.94 0.00 1.96 2.01 0.00 3.16 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 1.88 0.00 137 K 8.07 4.10 0.00 2.00 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 138 T 8.41 3.88 4.17 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 1.32 0.00 0.00 139 F 8.23 5.32 0.00 3.06 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 0.00 140 N 8.38 4.58 0.00 2.70 2.59 0.00 0.00 6.77 7.31 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 * Residues marked with a * may have inaccurate shift predictions.