NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.7201 8.4293 117.3697 54.6239 29.9342 171.7627 4 M 4.7425 7.8271 112.7492 53.8395 35.4495 174.1236 5 K 3.7552 9.2969 119.2313 60.5178 32.5607 179.7433 6 H 4.0258 8.1656 115.1668 59.5306 28.6246 177.8442 7 T 3.8639 7.8164 116.6306 66.7300 68.3917 176.4225 8 E 3.9226 8.5667 120.8536 59.1834 29.4604 179.4511 9 L 3.8734 8.4244 119.2856 57.8920 41.7077 179.7879 10 R 3.8802 7.9267 117.6308 59.2816 29.9606 179.0091 11 A 4.0132 8.2865 120.5416 55.3487 18.1645 179.0333 12 A 3.8814 8.1156 119.4469 54.8800 18.4571 179.5640 13 V 3.4564 7.7589 114.8191 66.1288 31.6255 178.2471 14 L 3.8050 8.1585 118.6841 58.1272 41.4443 179.0407 15 D 4.2315 8.1573 118.2443 57.6714 40.6312 178.9038 16 A 3.9188 7.4075 119.1267 55.3676 18.3417 179.4555 17 L 4.0674 7.3953 116.2393 57.8223 41.8131 179.2341 18 E 3.7303 7.8709 120.1739 58.5269 29.5817 178.8042 19 K 3.7463 7.5123 122.6327 57.0734 31.8841 179.0284 *20 H 4.1519 8.9570 121.8214 55.2864 25.6521 172.4740 *22 T 4.2530 7.4743 110.7301 61.9448 69.8659 179.6210 23 G 4.3948 8.6902 107.0044 46.7136 0.0000 173.3044 24 A 4.8270 7.3932 119.0797 50.0012 22.8441 176.4641 25 T 4.1570 8.1653 115.7924 62.7743 70.0656 174.2101 26 F 5.3590 8.4752 124.4231 56.0711 41.0501 175.1661 27 F 4.7406 9.7066 121.4768 55.8905 42.4169 174.1761 28 D 5.0736 9.0161 123.3725 52.5617 40.2516 174.4267 29 G 3.8606 8.1295 109.9629 43.2609 0.0000 171.5838 30 R 3.8353 7.7649 120.1844 53.3517 29.0837 173.9118 31 P 3.8178 0.0000 0.0000 62.8414 31.3144 176.5762 32 A 4.0539 7.9360 122.8925 53.5170 19.2568 177.7119 33 V 4.1606 6.3907 106.3333 60.3172 35.4156 172.6261 34 F 4.9934 8.5866 121.3874 55.7966 41.8022 172.7462 35 D 5.2283 9.0312 123.0925 53.5191 42.7748 177.3239 36 E 4.3504 8.7753 114.0076 58.8383 29.9716 174.5900 37 A 4.0709 8.0920 119.1742 54.5479 18.7715 178.0396 38 D 4.5832 7.6721 114.9658 56.5279 41.5602 177.2665 39 F 4.0530 6.9476 116.3949 57.7173 39.6033 173.7254 40 P 4.7946 0.0000 0.0000 62.3629 32.8713 174.9795 41 A 5.1324 8.8942 125.9436 50.8134 22.6680 176.1495 42 V 5.0812 8.5568 119.0186 59.5910 35.8636 174.2012 43 A 5.4928 9.1989 125.7054 49.6598 22.9108 175.1293 44 V 4.9955 8.7458 115.1010 59.7911 34.4113 174.6916 45 Y 4.9467 8.6966 122.6728 56.1611 41.8099 173.4179 46 L 5.9160 8.8648 119.0489 52.7843 45.0152 176.1140 47 T 4.6477 8.3184 109.4834 60.8281 72.4541 173.6261 48 G 3.8188 8.9782 109.5963 46.6625 0.0000 174.7379 49 A 4.6144 8.3400 123.7005 51.8213 17.0407 177.2410 50 E 4.5108 8.9771 119.6781 55.0472 33.1610 174.5555 51 Y 3.3628 7.2887 120.9366 56.0257 40.2057 175.4248 52 T 4.0080 7.3049 112.8131 60.9509 70.4458 174.2776 53 G 4.5370 5.4916 114.6109 45.3942 0.0000 173.4077 *56 L 4.6442 7.5434 119.0553 53.8944 41.9967 179.9763 57 D 4.5852 8.6421 115.8116 56.0815 41.9948 174.5952 58 S 4.6223 8.0656 120.1746 57.8392 65.8029 174.5424 59 D 4.9430 8.5254 117.9059 54.4123 41.0650 176.6665 60 T 4.3291 7.8349 115.4430 62.2299 68.5345 172.9633 61 W 5.0721 9.5233 127.4525 54.7831 33.5248 174.0070 62 Q 5.2104 8.8974 123.0100 54.5321 31.9349 173.9890 63 A 5.1241 9.3340 126.1347 50.6689 24.0004 174.1301 64 E 4.8777 8.9084 120.2474 54.5109 31.5527 174.6496 65 L 4.7405 9.3568 130.7351 54.7262 43.8068 175.0201 66 H 5.1274 9.2378 122.4447 54.0192 32.7789 173.0489 67 I 4.8300 8.4741 121.9937 59.7345 40.4088 173.1855 68 E 4.9207 9.2912 129.1406 54.0208 32.1987 174.6725 69 V 4.5659 8.0469 126.9232 60.1423 33.6610 174.6272 70 F 5.1460 9.4671 125.4076 55.4612 41.4229 174.4899 71 L 5.2364 8.6578 123.7323 52.1581 44.5384 174.2503 72 P 3.7720 0.0000 0.0000 63.4042 32.3752 177.1998 73 A 3.5284 8.5198 127.4117 52.3153 18.1167 178.6840 74 Q 4.3460 8.0899 112.3976 54.0764 26.8020 172.0688 75 V 3.9709 7.2317 114.5490 60.0216 33.2656 175.4193 76 P 4.4383 0.0000 0.0000 62.5131 32.1286 176.8282 77 D 4.5141 8.9518 122.6433 58.6866 40.7456 179.9279 78 S 4.1970 8.2056 118.3537 63.6662 62.1673 178.1268 79 E 4.3152 8.3616 121.9788 58.9758 29.3284 179.0236 80 L 4.1556 7.8774 118.9148 57.8630 41.8209 178.5706 81 D 4.8564 8.9708 120.3584 56.7964 40.6353 178.7589 82 A 4.0707 8.1039 120.6574 55.0694 18.4190 179.2392 83 W 3.9870 8.3202 126.2624 60.9583 30.7946 177.6298 84 M 4.2553 9.0432 120.7782 59.6034 31.6105 178.6376 85 E 4.7611 8.7509 117.3702 60.7065 29.9581 180.0006 86 S 4.6709 7.9149 113.5984 61.6730 62.8737 176.2176 87 R 4.1168 8.0868 124.2820 60.2329 29.7786 179.3975 88 I 4.4608 7.9308 117.4133 63.8774 37.9838 177.2325 89 Y 4.2843 7.9606 115.5043 60.8871 37.7882 177.4032 90 P 4.2287 0.0000 0.0000 66.1300 32.1556 178.3566 91 V 3.6328 7.9527 119.1431 65.6688 31.4799 177.7827 92 M 4.0864 8.0377 118.0916 58.3306 32.0552 177.9668 93 S 4.2413 7.8273 112.7715 60.6383 63.0340 173.8498 94 D 4.7036 7.8099 119.8451 51.8370 41.5496 174.1499 95 I 4.5691 7.5152 126.0729 57.1063 37.9898 174.0472 96 P 4.1953 0.0000 0.0000 65.9035 30.9996 178.2029 97 A 3.9167 7.9413 118.8329 54.8949 18.5808 178.8608 98 L 3.9677 7.7860 118.0722 58.3403 41.8276 178.7838 99 S 4.0690 7.9765 113.0353 61.6568 62.0703 175.8536 100 D 4.4669 8.4365 120.6509 57.0611 40.5464 178.1881 101 L 4.3447 7.7615 118.5030 54.7872 42.1880 176.5718 102 I 4.6250 6.8662 110.2230 59.5731 39.7203 175.1795 103 T 4.6599 8.7369 110.4710 61.2115 69.6915 174.6013 104 S 4.7535 7.5678 114.8568 58.4849 65.2983 175.2174 105 M 5.7936 8.6588 120.5091 53.8686 35.6946 174.1195 106 V 4.4597 8.1013 118.1348 60.6243 34.1336 171.4209 107 A 3.8444 9.1413 125.3668 52.9972 18.3646 175.6812 108 S 4.4146 8.9481 116.3070 58.6720 63.5657 175.9663 109 G 4.1716 8.4837 105.0782 45.6079 0.0000 169.8814 110 Y 4.9383 8.4699 119.9157 56.2594 41.4395 173.6854 111 D 5.1345 9.1117 127.0852 52.6445 44.6177 174.8076 112 Y 5.2633 8.6481 118.5947 56.5816 40.2093 175.1863 113 R 5.0026 9.0960 123.9503 55.6695 35.3777 174.4633 114 R 4.1755 8.1825 119.1919 55.8165 34.0976 175.1806 115 D 3.7130 7.2476 119.3309 54.2671 39.2199 176.8383 116 D 4.3204 8.2099 125.3191 55.6116 39.7847 177.2463 117 D 4.4140 7.4799 115.5863 53.9918 39.9839 181.7474 118 A 4.3903 8.1568 125.8004 51.8609 20.4645 177.8710 119 G 3.5962 8.2027 106.1043 46.3375 0.0000 176.0125 120 L 3.9405 9.1151 122.2537 56.5858 40.8097 182.5076 121 W 4.7696 7.8947 115.8921 55.9392 32.0072 175.5664 122 S 4.9532 9.4755 113.1124 57.4520 65.8381 172.8372 123 S 4.9535 9.5155 118.6452 57.3845 67.1531 172.6691 124 A 4.7081 8.3106 121.1078 50.1723 22.0459 174.4540 125 D 4.7340 9.3083 124.3465 52.4642 43.4598 174.6082 126 L 4.5913 8.0465 129.2086 53.6682 43.7883 175.2893 127 T 5.6624 8.2211 115.3525 59.2147 72.4268 172.3956 128 Y 5.2520 8.1622 118.9680 56.4649 43.0771 174.0248 129 V 4.7926 8.8151 123.0111 61.6559 33.5190 174.8231 130 I 6.0147 9.1718 120.3836 58.3648 41.5404 174.1167 131 T 5.4847 7.9945 110.1856 60.6785 72.5420 172.3019 132 Y 4.9261 8.3249 120.3098 57.0953 41.8948 172.1077 133 E 5.2181 8.8855 118.0007 54.5657 32.8020 176.6870 134 M 4.1627 8.4682 120.7401 55.7674 32.0615 176.4410 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 H 8.43 4.72 0.00 2.95 2.97 0.00 7.11 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 4 M 7.83 4.74 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 5 K 9.30 3.76 0.00 1.73 1.92 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.56 1.92 7.81 6 H 8.17 4.03 0.00 3.11 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.82 3.86 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 1.19 0.00 0.00 8 E 8.57 3.92 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 9 L 8.42 3.87 0.00 1.65 1.55 0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.93 3.88 0.00 1.87 1.99 0.00 3.38 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 1.66 1.78 0.00 11 A 8.29 4.01 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 12 A 8.12 3.88 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 13 V 7.76 3.46 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 1.01 0.00 0.00 0.90 0.00 0.00 14 L 8.16 3.80 0.00 1.88 1.62 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.16 4.23 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 16 A 7.41 3.92 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 17 L 7.40 4.07 0.00 1.53 1.62 1.04 1.10 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 18 E 7.87 3.73 0.00 1.65 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 1.47 1.93 0.00 19 K 7.51 3.75 0.00 1.76 1.63 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.27 7.81 *20 H 8.96 4.15 0.00 3.11 3.14 0.00 7.20 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 T 7.47 4.25 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 1.21 0.00 0.00 23 G 8.69 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 0.00 0.00 0.00 0.00 24 A 7.39 4.83 1.13 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 25 T 8.17 4.16 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 0.81 0.00 0.00 26 F 8.48 5.36 0.00 2.92 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 27 F 9.71 4.74 0.00 2.90 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 28 D 9.02 5.07 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 30 R 7.76 3.84 0.00 0.67 1.28 0.00 2.39 0.00 0.00 2.92 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.00 31 P 0.00 3.82 0.00 0.79 1.00 0.00 3.24 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.44 0.00 32 A 7.94 4.05 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 33 V 6.39 4.16 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 0.63 0.00 0.00 0.79 0.00 0.00 34 F 8.59 4.99 0.00 2.83 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 35 D 9.03 5.23 0.00 2.77 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 36 E 8.78 4.35 0.00 1.89 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 2.31 1.87 0.00 37 A 8.09 4.07 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 38 D 7.67 4.58 0.00 2.66 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 39 F 6.95 4.05 0.00 3.05 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 40 P 0.00 4.79 0.00 1.97 1.66 0.00 3.61 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 2.35 2.19 0.00 41 A 8.89 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.56 5.08 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 0.74 0.00 0.00 0.93 0.00 0.00 43 A 9.20 5.49 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 5.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.11 0.00 0.00 45 Y 8.70 4.95 0.00 3.04 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 46 L 8.86 5.92 0.00 1.54 1.62 0.69 0.85 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 47 T 8.32 4.65 4.38 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 1.38 0.00 0.00 48 G 8.98 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 0.00 0.00 0.00 49 A 8.34 4.61 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.51 0.00 1.86 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 2.25 1.99 0.00 51 Y 7.29 3.36 0.00 1.43 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 0.00 0.00 0.00 52 T 7.30 4.01 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 0.98 0.00 0.00 53 G 5.49 4.54 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 0.00 0.00 0.00 *56 L 7.54 4.64 0.00 1.70 1.45 0.92 0.94 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 57 D 8.64 4.59 0.00 2.57 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 58 S 8.07 4.62 0.00 4.04 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 59 D 8.53 4.94 0.00 2.78 2.80 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 60 T 7.83 4.33 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 1.15 0.00 0.00 61 W 9.52 5.07 0.00 2.52 2.44 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 62 Q 8.90 5.21 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 63 A 9.33 5.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.91 4.88 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 65 L 9.36 4.74 0.00 1.76 1.57 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.24 5.13 0.00 1.40 2.48 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.47 4.83 1.80 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.96 0.00 0.00 68 E 9.29 4.92 0.00 2.14 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.14 0.00 69 V 8.05 4.57 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 0.55 0.00 0.00 -0.07 0.00 0.00 70 F 9.47 5.15 0.00 2.38 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 71 L 8.66 5.24 0.00 1.59 1.51 1.00 0.50 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 72 P 0.00 3.77 0.00 1.51 0.49 0.00 3.77 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 1.79 1.83 0.00 73 A 8.52 3.53 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 74 Q 8.09 4.35 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.90 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 75 V 7.23 3.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 76 P 0.00 4.44 0.00 2.21 2.17 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 77 D 8.95 4.51 0.00 2.48 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 78 S 8.21 4.20 0.00 3.73 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 79 E 8.36 4.32 0.00 2.10 2.14 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 2.44 2.44 0.00 80 L 7.88 4.16 0.00 2.16 1.87 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.97 4.86 0.00 2.98 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 82 A 8.10 4.07 1.54 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 0.00 0.00 83 W 8.32 3.99 0.00 3.69 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 84 M 9.04 4.26 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 85 E 8.75 4.76 0.00 2.09 1.85 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 2.26 2.19 0.00 86 S 7.91 4.67 0.00 3.89 3.78 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 87 R 8.09 4.12 0.00 1.95 1.82 0.00 3.30 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 88 I 7.93 4.46 2.08 0.00 0.00 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 1.89 1.33 0.85 0.00 0.00 89 Y 7.96 4.28 0.00 3.08 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 90 P 0.00 4.23 0.00 2.25 2.36 0.00 3.81 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 2.11 2.26 0.00 91 V 7.95 3.63 2.32 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 0.95 0.00 0.00 0.95 0.00 0.00 92 M 8.04 4.09 0.00 2.15 2.45 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.74 0.00 93 S 7.83 4.24 0.00 3.98 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 94 D 7.81 4.70 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.52 4.57 1.80 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 1.49 0.90 0.86 0.00 0.00 96 P 0.00 4.20 0.00 2.24 2.31 0.00 3.77 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 2.05 2.03 0.00 97 A 7.94 3.92 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 98 L 7.79 3.97 0.00 1.70 1.83 0.83 0.70 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 99 S 7.98 4.07 0.00 3.91 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 0.00 100 D 8.44 4.47 0.00 2.81 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 0.00 101 L 7.76 4.34 0.00 1.73 1.68 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.87 4.63 2.14 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 1.34 0.49 0.86 0.00 0.00 103 T 8.74 4.66 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 104 S 7.57 4.75 0.00 3.90 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 0.00 105 M 8.66 5.79 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 106 V 8.10 4.46 2.14 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 0.63 0.00 0.00 0.99 0.00 0.00 107 A 9.14 3.84 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 0.00 108 S 8.95 4.41 0.00 3.84 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 0.00 109 G 8.48 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 0.00 110 Y 8.47 4.94 0.00 2.99 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 0.00 111 D 9.11 5.13 0.00 2.51 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 0.00 112 Y 8.65 5.26 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 9.10 5.00 0.00 2.02 2.14 0.00 3.34 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 114 R 8.18 4.18 0.00 1.54 1.66 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 115 D 7.25 3.71 0.00 1.58 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 0.00 116 D 8.21 4.32 0.00 2.73 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 0.00 117 D 7.48 4.41 0.00 2.69 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 0.00 118 A 8.16 4.39 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 0.00 119 G 8.20 3.60 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 0.00 120 L 9.12 3.94 0.00 1.36 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.89 4.77 0.00 3.65 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 0.00 122 S 9.48 4.95 0.00 4.02 3.87 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 0.00 123 S 9.52 4.95 0.00 3.02 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.31 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.31 4.73 0.00 2.53 2.39 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 0.00 126 L 8.05 4.59 0.00 1.26 1.31 0.64 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.22 5.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 128 Y 8.16 5.25 0.00 2.88 2.82 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 0.00 129 V 8.82 4.79 2.14 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 1.03 0.00 0.00 0.96 0.00 0.00 130 I 9.17 6.01 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.41 0.93 0.00 0.00 131 T 7.99 5.48 4.30 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 1.27 0.00 0.00 132 Y 8.32 4.93 0.00 3.13 3.11 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 0.00 133 E 8.89 5.22 0.00 1.90 1.92 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 2.26 2.36 0.00 134 M 8.47 4.16 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.