NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2699 8.1233 122.4570 51.8232 20.4903 175.2785 2 D 5.0332 8.4058 118.7664 50.5774 44.8742 169.9058 3 V 4.6915 8.2847 121.9634 60.1663 34.6746 174.5795 4 S 5.3804 9.1533 116.6513 56.7567 67.0949 172.4312 5 A 5.3415 9.2305 121.4971 50.3539 22.6159 175.0561 6 A 5.1614 9.3244 122.4069 50.4077 23.2514 175.1624 7 V 4.6650 8.6554 121.8609 61.2795 34.5633 174.9801 8 G 4.3969 8.5720 113.1629 45.4765 0.0000 170.8773 9 A 5.3763 8.8116 119.9962 50.3612 23.1786 176.6896 10 T 5.4594 8.4371 110.5800 59.7274 70.3885 176.1604 11 G 3.8493 8.8713 109.7831 48.0861 0.0000 174.2801 12 Q 4.4565 8.1204 117.0786 55.3061 28.9196 175.4707 13 S 3.8479 8.1539 112.6000 59.5125 61.0123 171.9914 14 G 4.0915 7.9116 108.6606 44.6082 0.0000 174.0690 15 M 4.7472 8.2915 120.8614 55.1155 33.5544 175.4435 16 T 4.8039 8.2262 111.1139 60.1374 72.9076 172.3626 17 Y 5.1060 8.4341 119.8957 56.4839 42.5004 174.1475 18 R 5.0248 9.4472 124.1485 54.4949 33.6280 173.7552 19 L 5.3519 9.2764 126.1223 53.2570 44.8330 175.7006 20 G 4.6047 8.8389 108.1288 44.9257 0.0000 171.4502 21 L 5.1811 9.0412 121.4664 52.6425 45.2940 175.8643 22 S 5.2845 8.4199 117.9056 56.5115 67.2524 173.2095 23 W 5.1158 9.5018 122.8355 54.7139 32.0760 174.7280 24 D 4.7530 9.0147 125.0284 54.6612 40.3636 177.3444 25 W 4.4485 8.9142 122.4732 57.0079 29.7600 175.7840 26 D 4.3507 8.2037 117.3588 54.3459 38.6539 173.3592 27 K 4.3567 7.4214 115.1689 55.0268 36.4505 176.1689 28 S 4.5802 7.7357 117.7663 56.3710 66.2645 173.5595 29 W 4.9833 8.8198 122.5568 55.6032 32.8445 175.0555 30 W 3.9092 8.3209 117.8085 57.6663 26.3298 175.0660 31 Q 4.3578 8.1942 118.4224 56.3231 29.3696 174.6183 32 T 4.8415 8.9136 115.2865 59.7520 72.0763 174.5178 33 S 4.2781 8.7134 114.7764 61.5830 63.3631 175.7783 34 T 4.1905 8.1189 118.7371 64.6939 68.9217 174.7066 35 G 3.9694 6.5559 107.6753 45.5307 0.0000 170.9960 36 R 4.8442 7.0199 116.1264 54.5346 33.5625 174.1545 37 L 4.8226 9.1191 123.7050 55.2679 43.5872 175.3208 38 T 4.2155 9.0247 121.2355 63.7158 71.2908 170.9831 39 G 2.9970 7.9451 104.4444 46.8578 0.0000 171.4090 40 Y 4.5045 5.5249 115.8655 55.3099 41.7321 173.8282 41 W 5.1853 9.2966 121.3073 56.1191 31.2385 174.9307 42 D 5.5058 9.0659 123.7420 52.5049 43.7439 173.9198 43 A 5.5382 9.7320 128.3956 50.3330 21.8453 175.4448 44 G 4.5283 9.2850 108.7363 44.4778 0.0000 170.8197 45 Y 5.3961 9.5753 124.0931 55.7995 41.7482 174.3436 46 T 4.6166 7.9654 122.7360 61.6564 72.3449 172.1190 47 Y 4.9114 8.6530 127.6844 55.8020 41.2244 174.1203 48 W 4.3816 8.6934 126.6528 54.5328 31.5253 175.0704 49 E 3.8535 8.7324 125.9794 57.9497 29.3317 174.9549 50 G 3.4303 9.1032 112.2171 46.2000 0.0000 173.8853 *55 A 4.2791 8.9710 124.6479 51.0897 21.2557 178.5260 56 G 3.8579 7.8964 104.1670 44.8414 0.0000 172.9812 57 K 4.9157 8.3840 119.5788 54.8812 37.3129 174.8645 58 H 5.7428 9.3409 117.6316 54.2768 33.0380 173.1003 59 S 4.8991 9.0872 115.3080 56.4755 66.6362 172.5588 60 L 5.4751 8.6001 121.6986 53.1564 44.3643 175.7281 61 S 5.3842 9.1515 117.0738 56.8770 67.2116 172.6193 62 F 5.5938 9.5639 122.3651 57.0621 43.0821 172.9611 63 A 5.0893 8.0371 126.4672 49.6973 22.9645 173.3698 64 P 4.5373 0.0000 0.0000 62.5255 32.6316 175.7258 65 V 4.0651 7.9062 124.1175 60.7077 33.8675 174.5741 66 F 4.4363 9.0725 127.5141 57.2110 40.6085 175.0089 67 V 4.8182 8.8413 121.8338 61.5497 35.1586 173.1602 68 Y 4.5990 9.0786 129.7408 56.2469 40.3232 173.6578 69 E 4.8583 8.1145 129.3301 54.3387 31.2568 175.1829 70 F 4.8360 9.2146 126.7688 56.9678 39.7763 175.6603 71 A 4.1361 8.8430 124.2491 52.2724 19.0406 177.3105 72 G 3.9359 7.6570 107.1591 45.8232 0.0000 170.6478 73 D 4.6311 8.2022 118.0271 54.9850 43.3562 176.4419 74 S 4.5045 8.3517 116.5680 60.2501 65.1128 174.7276 75 I 5.1112 7.8232 121.3042 59.3340 41.0650 174.2932 76 K 4.7642 9.1534 126.6615 53.8099 34.6463 174.2913 77 P 5.0075 0.0000 0.0000 62.9331 32.7937 175.4709 78 F 5.7987 8.6942 116.0774 55.8522 41.7260 173.0481 79 I 5.2929 9.1040 113.5392 59.3440 41.0383 174.0155 80 E 5.4642 9.4099 120.3456 55.2928 33.5277 173.9178 81 A 5.1341 9.1282 121.3844 51.2847 23.1599 175.5442 82 G 4.6100 8.9745 107.1067 45.1667 0.0000 171.8760 83 I 5.0931 8.4957 114.0881 59.1739 40.0684 175.2581 84 G 4.1994 9.3693 113.1381 45.6565 0.0000 171.4103 85 V 5.2860 9.0476 113.2596 59.8584 36.3615 174.8707 86 A 5.3066 9.1788 123.1695 50.5086 23.2963 174.8734 87 A 5.1764 9.1391 122.6111 50.2515 20.6523 175.6481 88 F 5.0690 9.2838 122.0140 56.0398 40.9415 177.2694 89 S 4.2189 9.3451 116.7223 60.4390 63.3621 173.9806 90 G 4.1712 7.5669 108.3335 45.0816 0.0000 173.3477 91 T 3.9340 8.3218 108.6949 62.3124 69.4862 174.4707 92 R 4.7657 7.6974 121.3333 54.6271 30.2466 175.3451 93 V 4.2690 7.9103 123.2916 61.6657 34.8048 175.2036 94 G 3.9490 8.3250 115.3892 47.5425 0.0000 173.8489 95 D 4.6833 8.7975 124.3046 54.1538 41.2310 175.7687 96 Q 4.5008 8.1362 119.6323 53.9782 31.0386 174.4597 97 N 4.7830 9.0951 119.7267 51.8525 39.3588 175.1766 98 L 3.8588 8.7841 127.4547 55.4603 42.3075 178.9882 99 G 4.2024 8.4579 110.9972 44.9540 0.0000 173.8780 100 S 4.8034 7.2831 111.6133 55.6052 66.1313 173.9346 101 S 4.3013 8.5845 116.2963 61.5293 63.2446 173.9393 102 L 4.8867 7.8077 118.7495 54.5270 42.2598 176.1211 103 N 5.0620 9.2896 120.0624 51.5767 43.9822 173.9611 104 F 4.9499 9.2143 119.5423 57.4562 41.0164 174.5444 105 E 4.5107 9.2838 122.3249 54.7706 31.8878 174.1706 106 D 5.4908 9.0658 128.2258 52.5814 43.5235 175.9667 107 R 5.2417 9.0575 119.0458 54.6046 33.4545 173.9118 108 I 5.2014 8.5238 113.2806 59.7785 41.6664 173.9456 109 G 4.6445 8.9727 108.2798 46.1687 0.0000 171.9499 110 A 4.9266 8.5986 120.7855 50.8792 23.1827 176.5829 111 G 3.2358 6.8863 104.6636 46.0172 0.0000 171.4502 112 L 5.1617 7.8970 120.1121 52.6985 45.3872 175.6802 113 K 4.6181 9.2406 125.5981 55.0098 34.1874 175.7348 114 F 5.3449 9.1257 126.0382 55.9617 40.9111 177.0020 115 A 4.0894 8.8616 123.6112 55.1068 18.2610 178.4638 116 N 4.6631 8.2764 111.6398 53.0759 37.2778 176.3083 117 G 3.9459 8.2312 108.0533 45.7466 0.0000 174.3587 118 Q 4.6445 7.9476 118.9135 55.9269 30.3255 175.1510 119 S 5.0471 8.4868 114.8744 57.0588 67.0671 173.1768 120 V 4.3404 8.0305 119.5049 60.2224 35.1547 174.8910 121 G 3.6069 6.5909 107.4357 46.2564 0.0000 172.0812 122 V 5.1711 8.2957 112.4679 59.6490 35.4284 175.3851 123 R 5.2375 9.2427 122.3019 54.7998 34.2619 173.4222 124 A 5.1648 9.1358 127.0466 50.2525 21.7774 175.1254 125 I 4.9278 8.5718 123.2407 59.6854 41.2716 174.1642 126 H 5.3550 9.3178 125.8310 54.5206 33.1278 171.6401 127 Y 5.5912 9.0932 123.1303 55.6672 40.9872 175.1556 128 S 4.8271 8.3421 117.1159 57.9731 66.6052 174.7517 129 N 5.0511 9.4655 115.6809 52.1750 37.3657 174.5370 130 A 3.6781 9.0162 119.2318 53.7668 15.8948 178.9518 131 G 3.9889 8.1101 104.5769 47.5160 0.0000 175.9238 132 L 4.0958 7.8650 120.4776 56.7260 41.8178 177.4841 133 K 4.3985 7.9585 119.7255 54.7093 34.2864 175.3042 134 Q 4.1846 8.5615 125.8126 55.4704 29.2339 174.4318 135 P 4.4148 0.0000 0.0000 62.2512 32.1771 175.7689 136 N 4.2940 7.4856 115.9368 54.0723 37.4525 174.0040 137 D 4.2918 8.3398 119.4262 55.3193 41.6848 178.5819 138 G 4.0435 8.8653 105.0104 45.3671 0.0000 171.9267 139 I 4.5893 7.9654 117.2688 59.7983 41.9029 173.1236 140 E 5.4117 8.9398 125.3158 54.6709 34.1384 174.6184 141 S 5.0121 9.1070 115.7819 56.9448 66.0172 172.0868 142 Y 5.2588 9.2617 125.7793 56.4201 39.8308 175.0400 143 S 5.1857 9.4276 118.7974 56.6182 67.6259 172.3944 144 L 5.2215 8.7418 123.1440 53.3748 44.1559 175.1686 145 F 5.6535 8.8381 120.5667 55.2968 41.7667 173.2037 146 Y 5.0488 9.2483 120.3057 55.9602 42.4181 174.0915 147 K 5.3009 8.6358 124.9278 54.6167 36.7234 175.2404 148 I 5.1052 8.6702 116.5970 58.3231 40.9709 172.9084 149 P 5.0266 0.0000 0.0000 62.1538 32.2375 176.3211 150 I 4.0976 8.2891 114.8953 61.1391 37.5475 175.1714 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 A 8.12 4.27 0.83 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 0.00 0.00 2 D 8.41 5.03 0.00 2.30 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 3 V 8.28 4.69 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 0.74 0.00 0.00 0.96 0.00 0.00 4 S 9.15 5.38 0.00 4.00 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 5 A 9.23 5.34 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 6 A 9.32 5.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.66 4.67 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 0.90 0.00 0.00 1.13 0.00 0.00 8 G 8.57 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.81 5.38 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 10 T 8.44 5.46 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 1.61 0.00 0.00 11 G 8.87 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 0.00 0.00 0.00 12 Q 8.12 4.46 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 13 S 8.15 3.85 0.00 4.06 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 14 G 7.91 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 0.00 0.00 0.00 15 M 8.29 4.75 0.00 1.50 2.16 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 2.77 2.51 0.00 16 T 8.23 4.80 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 0.82 0.00 0.00 17 Y 8.43 5.11 0.00 2.93 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 18 R 9.45 5.02 0.00 1.66 1.70 0.00 3.05 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 1.53 1.67 0.00 19 L 9.28 5.35 0.00 1.82 1.64 1.03 0.78 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 20 G 8.84 4.60 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 0.00 0.00 0.00 21 L 9.04 5.18 0.00 1.31 0.57 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.42 5.28 0.00 3.34 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 23 W 9.50 5.12 0.00 3.60 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 24 D 9.01 4.75 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.91 4.45 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.20 4.35 0.00 2.82 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 27 K 7.42 4.36 0.00 0.95 0.76 0.00 1.83 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.28 7.81 28 S 7.74 4.58 0.00 3.59 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 29 W 8.82 4.98 0.00 3.45 2.20 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 30 W 8.32 3.91 0.00 3.83 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 31 Q 8.19 4.36 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 32 T 8.91 4.84 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 1.40 0.00 0.00 33 S 8.71 4.28 0.00 4.05 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 34 T 8.12 4.19 4.43 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 1.49 0.00 0.00 35 G 6.56 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 36 R 7.02 4.84 0.00 1.76 1.87 0.00 2.62 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 37 L 9.12 4.82 0.00 2.33 2.36 1.31 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.02 4.22 4.08 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 1.10 0.00 0.00 39 G 7.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 5.52 4.50 0.00 2.80 2.58 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 41 W 9.30 5.19 0.00 3.82 3.29 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 42 D 9.07 5.51 0.00 2.78 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 43 A 9.73 5.54 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 0.00 0.00 0.00 0.00 0.00 44 G 9.29 4.53 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 0.00 45 Y 9.58 5.40 0.00 3.14 2.92 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 46 T 7.97 4.62 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 0.10 0.00 0.00 47 Y 8.65 4.91 0.00 3.04 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 48 W 8.69 4.38 0.00 3.07 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 49 E 8.73 3.85 0.00 2.09 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 2.65 2.62 0.00 50 G 9.10 3.43 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 0.00 *55 A 8.97 4.28 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 56 G 7.90 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 57 K 8.38 4.92 0.00 1.69 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.69 7.81 58 H 9.34 5.74 0.00 3.24 3.52 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.09 4.90 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.60 5.48 0.00 1.66 1.68 0.99 0.80 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 61 S 9.15 5.38 0.00 4.09 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 62 F 9.56 5.59 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.04 5.09 1.21 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 64 P 0.00 4.54 0.00 2.13 2.06 0.00 4.09 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 2.26 2.26 0.00 65 V 7.91 4.07 0.67 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 0.60 0.00 0.00 0.52 0.00 0.00 66 F 9.07 4.44 0.00 3.19 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 67 V 8.84 4.82 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 0.89 0.00 0.00 0.88 0.00 0.00 68 Y 9.08 4.60 0.00 3.20 2.78 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 69 E 8.11 4.86 0.00 1.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 70 F 9.21 4.84 0.00 3.18 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 71 A 8.84 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.66 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 73 D 8.20 4.63 0.00 2.62 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 74 S 8.35 4.50 0.00 4.02 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 0.00 75 I 7.82 5.11 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.40 0.87 0.00 0.00 76 K 9.15 4.76 0.00 1.64 1.94 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 77 P 0.00 5.01 0.00 2.13 1.91 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 78 F 8.69 5.80 0.00 3.18 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 79 I 9.10 5.29 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.16 1.07 0.00 0.00 80 E 9.41 5.46 0.00 2.15 2.26 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 2.48 2.41 0.00 81 A 9.13 5.13 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 82 G 8.97 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.50 5.09 1.95 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 1.40 0.91 0.95 0.00 0.00 84 G 9.37 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 85 V 9.05 5.29 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 0.82 0.00 0.00 1.09 0.00 0.00 86 A 9.18 5.31 1.44 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 0.00 0.00 0.00 87 A 9.14 5.18 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 88 F 9.28 5.07 0.00 2.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 9.35 4.22 0.00 3.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.57 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 0.00 0.00 0.00 0.00 91 T 8.32 3.93 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 1.25 0.00 0.00 92 R 7.70 4.77 0.00 1.77 1.89 0.00 3.12 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 93 V 7.91 4.27 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.61 0.00 0.00 94 G 8.32 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 95 D 8.80 4.68 0.00 2.68 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 96 Q 8.14 4.50 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 97 N 9.10 4.78 0.00 2.59 2.72 0.00 0.00 7.39 6.30 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 98 L 8.78 3.86 0.00 1.56 1.40 -0.43 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.46 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 0.00 100 S 7.28 4.80 0.00 3.92 3.79 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 0.00 101 S 8.58 4.30 0.00 3.97 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 0.00 102 L 7.81 4.89 0.00 1.53 1.51 0.90 0.99 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 0.00 103 N 9.29 5.06 0.00 2.82 2.90 0.00 0.00 6.68 8.29 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 0.00 104 F 9.21 4.95 0.00 3.02 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 0.00 105 E 9.28 4.51 0.00 2.17 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 2.02 1.64 0.00 106 D 9.07 5.49 0.00 2.58 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 0.00 107 R 9.06 5.24 0.00 1.79 1.89 0.00 2.67 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 108 I 8.52 5.20 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.94 0.00 0.00 109 G 8.97 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 0.00 110 A 8.60 4.93 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 0.00 111 G 6.89 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 0.00 0.00 0.00 112 L 7.90 5.16 0.00 0.99 1.02 0.95 0.57 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 0.00 113 K 9.24 4.62 0.00 1.67 1.62 0.00 1.39 0.00 0.00 1.39 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.46 7.81 114 F 9.13 5.34 0.00 3.16 2.92 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 0.00 115 A 8.86 4.09 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 0.00 116 N 8.28 4.66 0.00 2.86 2.95 0.00 0.00 6.17 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 0.00 117 G 8.23 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 0.00 118 Q 7.95 4.64 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 119 S 8.49 5.05 0.00 4.06 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 0.00 120 V 8.03 4.34 2.27 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 0.96 0.00 0.00 0.99 0.00 0.00 121 G 6.59 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.30 5.17 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 0.68 0.00 0.00 1.00 0.00 0.00 123 R 9.24 5.24 0.00 2.03 1.84 0.00 3.01 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 124 A 9.14 5.16 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 0.00 125 I 8.57 4.93 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.46 0.00 0.00 126 H 9.32 5.35 0.00 3.13 3.07 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 9.09 5.59 0.00 2.73 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 0.00 128 S 8.34 4.83 0.00 4.14 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 0.00 129 N 9.47 5.05 0.00 2.92 3.20 0.00 0.00 7.32 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 0.00 130 A 9.02 3.68 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 0.00 131 G 8.11 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 0.00 0.00 0.00 132 L 7.87 4.10 0.00 1.83 1.79 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.96 4.40 0.00 1.76 1.60 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 134 Q 8.56 4.18 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 135 P 0.00 4.41 0.00 2.31 2.13 0.00 3.87 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 2.12 1.92 0.00 136 N 7.49 4.29 0.00 3.01 2.80 0.00 0.00 7.19 8.33 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 0.00 137 D 8.34 4.29 0.00 2.76 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 0.00 138 G 8.87 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 I 7.97 4.59 1.55 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.19 0.13 0.00 0.00 140 E 8.94 5.41 0.00 1.95 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 2.35 2.43 0.00 141 S 9.11 5.01 0.00 3.71 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 0.00 142 Y 9.26 5.26 0.00 2.91 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 0.00 143 S 9.43 5.19 0.00 3.97 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 0.00 144 L 8.74 5.22 0.00 1.82 1.58 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.84 5.65 0.00 3.12 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 0.00 146 Y 9.25 5.05 0.00 3.12 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 0.00 147 K 8.64 5.30 0.00 1.60 1.53 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.53 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.32 1.51 7.81 148 I 8.67 5.11 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 1.17 0.00 0.00 149 P 0.00 5.03 0.00 2.07 2.05 0.00 3.33 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 150 I 8.29 4.10 1.85 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 1.17 0.69 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.