NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4147 8.3649 120.1912 54.2368 42.5563 174.5687 *7 H 4.6134 8.2992 121.8862 55.8760 30.7263 171.9297 8 I 4.9091 8.1399 121.6421 59.9328 39.1482 174.6032 9 Y 4.3261 9.6228 125.3960 56.1700 40.4715 174.1010 10 E 5.0421 8.9648 125.5741 54.4584 31.7973 174.7668 11 L 4.9019 8.8501 126.4533 52.9064 44.6866 175.4129 12 V 4.7466 8.6568 123.2246 61.1270 34.1250 174.5926 13 S 5.0581 9.1733 123.5230 56.7146 63.4503 173.1176 14 R 4.3516 8.7188 126.8844 56.3223 30.5538 175.8400 15 D 4.6057 8.3160 120.1361 53.3202 44.1691 175.5952 16 R 4.1294 8.8656 123.5364 59.0585 30.1905 178.0370 17 T 4.5252 8.0448 103.9710 61.6042 71.1437 173.6712 18 H 5.0480 8.2206 117.9833 53.6141 28.7531 171.3592 19 P 4.7656 0.0000 0.0000 62.2640 33.1135 176.9304 20 V 4.3888 8.6771 122.2363 61.1813 34.0755 174.3925 21 R 4.9248 8.6629 126.4029 54.4046 32.6228 174.9771 22 I 4.4089 8.4456 125.1725 59.5556 40.2790 174.1176 23 Y 4.9424 8.6380 124.3810 56.3333 40.1949 174.6099 24 L 5.3311 9.4254 124.9194 53.0034 45.0553 175.5618 25 L 5.4885 9.3248 121.8361 53.5445 43.9806 175.0837 26 H 5.0890 9.5042 121.6904 54.4751 33.1817 174.5341 27 S 4.3739 8.8378 118.4227 60.1548 63.4020 173.8705 28 E 4.7059 7.6222 116.8355 54.3518 31.5467 174.5414 29 Y 4.4608 8.1783 121.7426 56.6227 39.6725 174.1774 30 W 4.5968 9.4281 128.6243 54.4767 31.2472 176.6865 31 T 3.9753 8.2612 115.5995 60.9256 69.9872 174.9819 32 E 4.2493 8.8451 121.6081 59.7305 29.6609 178.6104 33 D 4.4662 8.2403 118.4478 57.4535 40.9879 178.3702 34 E 4.0779 8.5718 119.2303 59.3445 29.2793 179.0424 35 F 4.3026 8.3011 119.4951 61.7686 39.8495 176.3460 36 Y 3.7551 8.2843 116.2649 61.2119 37.6728 178.5593 37 N 4.3576 8.5419 117.3388 56.3062 38.5926 177.3721 38 L 3.9637 7.9722 120.4365 57.6829 41.6235 179.5757 39 L 3.6676 7.4795 118.4173 57.4646 41.2483 179.2528 40 L 3.6232 7.4815 117.2928 57.7874 41.9369 178.9440 41 E 4.0025 7.9726 117.9308 59.5809 29.2581 179.1614 42 A 2.9845 7.6244 120.3843 55.0396 18.1088 179.0918 43 F 4.6844 7.6398 113.4850 59.4136 38.9101 176.6946 44 Q 4.3414 7.7855 117.9678 56.8081 29.2375 176.4356 45 R 4.4126 7.3504 113.1580 55.6904 30.1508 175.6512 46 S 4.7787 7.5196 112.9623 56.2813 64.4687 173.2089 47 S 4.3433 8.2023 119.0741 58.2415 63.4711 173.3937 48 A 4.4675 8.0056 121.5965 52.0550 18.9962 177.6558 49 S 4.3764 7.1627 114.1388 58.8819 64.3065 174.1847 50 D 4.6318 8.2053 120.2866 53.3774 42.5977 177.2825 51 W 4.4656 8.8754 131.1946 61.3052 30.4396 177.7597 52 H 4.3570 8.3552 114.2147 57.3989 27.5615 176.0833 53 L 4.2904 7.1768 120.1977 56.1678 42.8666 178.1806 54 Q 3.8314 8.1871 119.8961 58.9553 28.9359 177.9686 55 I 2.4987 7.2928 119.9627 63.7764 37.8540 177.6760 56 L 3.8716 7.2526 119.4793 57.7776 41.4931 179.5305 57 E 3.9388 8.0550 118.4519 59.2486 29.5010 179.2195 58 V 3.6287 7.7121 117.8050 66.0951 31.5407 177.5332 59 S 3.9977 7.9746 112.6224 61.6541 62.2438 176.3233 60 K 3.9456 7.8972 120.4989 59.6021 31.7307 178.7494 61 Y 4.0561 7.8907 119.4018 60.5711 38.9508 177.3675 62 L 3.8679 8.0361 119.9825 57.7544 41.6172 179.8309 63 V 4.3912 7.6713 119.2711 66.0997 31.3378 178.3386 64 T 3.8963 7.6221 113.7166 66.1394 68.4392 176.2376 65 A 4.2140 7.9774 121.3339 53.2562 19.1783 177.4980 66 H 4.7797 7.6935 110.4116 55.1654 30.7498 174.1965 67 G 3.8928 8.0261 106.7046 45.5780 0.0000 174.0262 68 F 4.5558 8.1275 118.1544 57.3108 40.4889 174.5510 69 V 4.7507 8.7479 115.6303 59.4435 34.5192 174.5647 70 E 4.7069 8.8885 126.1710 55.9375 30.1982 176.0114 71 A 4.4954 9.2235 129.3389 51.1783 19.5536 177.9034 72 G 3.6043 8.8060 107.8337 46.5207 0.0000 174.3526 73 G 4.1743 6.8322 105.9182 44.1698 0.0000 171.2477 74 L 4.5022 7.5330 120.4485 53.0118 44.8570 175.5524 75 Q 4.6446 8.4235 123.2796 53.9105 32.0159 174.3778 76 E 4.6401 8.5163 121.1174 54.2515 32.5229 175.0585 77 I 4.3178 8.1914 124.9230 59.3673 40.2839 175.0571 78 G 4.0776 7.8524 112.9289 43.7581 0.0000 171.3750 79 F 4.9514 8.1392 117.6182 54.6822 43.4241 172.9508 80 P 4.3947 0.0000 0.0000 62.7220 31.7192 178.0821 81 G 3.7196 8.7870 111.3828 48.5864 0.0000 174.5598 82 E 4.0692 8.0577 116.0753 57.6186 30.0518 176.7139 83 L 4.0528 7.5309 123.3264 54.4823 42.6625 177.3140 84 S 4.2737 8.5186 121.2623 58.2404 64.9843 175.0785 85 K 3.7976 8.5844 123.5664 60.0477 31.7366 179.3181 86 T 3.8975 7.7355 115.6756 66.5461 68.4545 176.5335 87 E 3.9343 8.1779 120.6224 59.0269 29.3325 179.5020 88 V 3.0037 7.6682 118.3962 65.8687 31.4691 177.9831 89 R 3.7787 7.8377 118.2862 59.3739 29.8608 178.3297 90 R 3.9213 8.2000 118.1330 59.6825 30.1508 179.2085 91 R 4.0499 8.3320 117.8329 59.2434 29.9627 179.3241 92 I 3.8031 8.0719 119.8173 64.5570 37.3030 178.0668 93 N 4.3362 8.5028 117.3902 56.4960 38.1647 177.2960 94 A 4.0631 7.9606 120.9092 55.0434 18.5084 179.2270 95 F 4.1105 8.0622 118.4367 61.5169 39.7678 177.2790 96 L 4.2614 8.7845 119.0956 54.5157 41.5242 179.4375 97 G 3.8862 8.1805 105.5438 46.9884 0.0000 174.3946 98 K 4.2979 8.6449 124.6606 56.4456 32.0339 176.3293 99 D 4.7772 8.2153 118.7241 54.3715 40.9765 176.3777 100 R 4.1907 7.5077 121.5815 56.1626 30.1005 176.2971 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 5 D 8.36 4.41 0.00 2.64 2.64 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 *7 H 8.30 4.61 0.00 3.49 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.14 4.91 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 1.03 0.00 0.00 9 Y 9.62 4.33 0.00 2.71 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 10 E 8.96 5.04 0.00 2.01 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 2.00 1.64 0.00 11 L 8.85 4.90 0.00 1.55 1.62 0.89 0.57 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 12 V 8.66 4.75 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 0.84 0.00 0.00 0.95 0.00 0.00 13 S 9.17 5.06 0.00 3.66 3.70 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 14 R 8.72 4.35 0.00 1.80 1.89 0.00 3.32 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 15 D 8.32 4.61 0.00 2.60 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 16 R 8.87 4.13 0.00 1.82 1.97 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 17 T 8.04 4.53 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 1.17 0.00 0.00 18 H 8.22 5.05 0.00 3.11 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.77 0.00 1.97 2.01 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 20 V 8.68 4.39 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 21 R 8.66 4.92 0.00 1.70 1.46 0.00 3.30 0.00 0.00 3.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 22 I 8.45 4.41 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.93 0.94 0.00 0.00 23 Y 8.64 4.94 0.00 2.92 2.89 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 0.00 0.00 0.00 0.00 24 L 9.43 5.33 0.00 1.78 1.78 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.32 5.49 0.00 1.81 1.63 1.03 0.91 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 26 H 9.50 5.09 0.00 2.81 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.84 4.37 0.00 4.03 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 28 E 7.62 4.71 0.00 1.64 1.56 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 2.19 2.15 0.00 29 Y 8.18 4.46 0.00 2.64 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 30 W 9.43 4.60 0.00 2.73 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 31 T 8.26 3.98 4.34 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 1.26 0.00 0.00 32 E 8.85 4.25 0.00 2.32 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 0.00 2.63 2.92 0.00 33 D 8.24 4.47 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.57 4.08 0.00 2.38 2.42 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 2.47 2.41 0.00 35 F 8.30 4.30 0.00 3.05 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 36 Y 8.28 3.76 0.00 3.17 2.89 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 0.00 0.00 0.00 0.00 37 N 8.54 4.36 0.00 3.02 2.91 0.00 0.00 7.07 7.10 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 38 L 7.97 3.96 0.00 1.77 1.53 -0.10 0.02 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 39 L 7.48 3.67 0.00 1.30 1.03 0.54 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.48 3.62 0.00 1.69 1.69 0.95 0.86 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 41 E 7.97 4.00 0.00 2.29 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 2.39 2.51 0.00 42 A 7.62 2.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.64 4.68 0.00 3.13 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 44 Q 7.79 4.34 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 45 R 7.35 4.41 0.00 1.89 2.01 0.00 3.17 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.00 46 S 7.52 4.78 0.00 3.90 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 47 S 8.20 4.34 0.00 3.94 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 48 A 8.01 4.47 1.22 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 0.00 0.00 0.00 49 S 7.16 4.38 0.00 4.03 3.83 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 50 D 8.21 4.63 0.00 2.73 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 51 W 8.88 4.47 0.00 3.33 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 52 H 8.36 4.36 0.00 3.29 3.48 0.00 5.35 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.18 4.29 0.00 1.61 1.58 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.19 3.83 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 55 I 7.29 2.50 0.56 0.00 0.00 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 1.15 0.59 0.50 0.00 0.00 56 L 7.25 3.87 0.00 1.74 1.62 0.84 0.79 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 57 E 8.06 3.94 0.00 2.11 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 2.27 2.39 0.00 58 V 7.71 3.63 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 1.03 0.00 0.00 1.22 0.00 0.00 59 S 7.97 4.00 0.00 3.85 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 60 K 7.90 3.95 0.00 2.11 1.89 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 61 Y 7.89 4.06 0.00 3.12 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 62 L 8.04 3.87 0.00 1.55 0.87 0.32 0.47 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 63 V 7.67 4.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.09 0.00 0.00 64 T 7.62 3.90 4.18 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 1.19 0.00 0.00 65 A 7.98 4.21 0.48 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 0.00 0.00 66 H 7.69 4.78 0.00 3.41 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.03 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.13 4.56 0.00 3.03 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 69 V 8.75 4.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.04 0.00 0.00 70 E 8.89 4.71 0.00 2.02 1.89 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 0.00 2.34 2.49 0.00 71 A 9.22 4.50 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 72 G 8.81 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 73 G 6.83 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 74 L 7.53 4.50 0.00 0.40 0.88 0.67 0.52 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 75 Q 8.42 4.64 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 76 E 8.52 4.64 0.00 1.81 1.70 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 2.08 2.23 0.00 77 I 8.19 4.32 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.71 0.00 0.00 78 G 7.85 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 0.00 0.00 0.00 0.00 79 F 8.14 4.95 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.39 0.00 2.22 2.02 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 81 G 8.79 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 0.00 0.00 0.00 82 E 8.06 4.07 0.00 2.10 2.10 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 2.30 2.31 0.00 83 L 7.53 4.05 0.00 1.80 1.60 0.94 0.96 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 84 S 8.52 4.27 0.00 4.06 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 85 K 8.58 3.80 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.48 7.81 86 T 7.74 3.90 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 1.19 0.00 0.00 87 E 8.18 3.93 0.00 1.95 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 2.31 2.44 0.00 88 V 7.67 3.00 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 0.21 0.00 0.00 0.48 0.00 0.00 89 R 7.84 3.78 0.00 1.95 2.01 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 90 R 8.20 3.92 0.00 1.98 1.98 0.00 3.35 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 91 R 8.33 4.05 0.00 2.05 2.19 0.00 3.30 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 92 I 8.07 3.80 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 0.97 0.00 0.00 93 N 8.50 4.34 0.00 2.87 2.90 0.00 0.00 6.98 8.57 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 94 A 7.96 4.06 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 95 F 8.06 4.11 0.00 3.23 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.78 4.26 0.00 1.79 1.76 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.18 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.64 4.30 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.41 7.81 99 D 8.22 4.78 0.00 2.64 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 0.00 100 R 7.51 4.19 0.00 1.90 1.84 0.00 3.41 0.00 0.00 3.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.