NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5607 8.3449 118.3659 59.1622 29.7243 173.6401 11 P 4.4149 0.0000 0.0000 63.6780 32.6111 174.4442 12 L 5.0173 7.7706 120.6169 53.3444 45.1403 175.0834 13 M 4.8977 9.0910 125.5979 53.6627 35.9120 173.9664 14 V 4.8570 8.3667 124.2188 60.9627 34.7832 174.1533 15 K 4.9715 8.9325 127.5310 54.6254 35.7913 174.8839 16 V 4.7793 8.8995 126.4237 61.1270 34.7162 174.1229 17 L 5.0209 8.8588 126.8562 52.8894 46.0737 174.7344 18 D 5.2417 9.0898 121.4263 52.8104 42.4866 176.6996 19 A 4.3032 9.5630 128.5571 53.9284 18.8247 178.7592 20 V 3.9025 8.5532 114.6095 65.5186 32.0070 177.2828 21 R 4.1830 8.8331 116.5095 56.1297 30.7937 176.3010 22 G 3.9233 8.1389 105.6155 45.9363 0.0000 172.9743 23 S 4.7664 7.3689 111.3025 55.7484 67.2116 173.0287 24 P 4.5373 0.0000 0.0000 63.0120 31.7327 176.2231 25 A 4.2606 8.7266 125.4482 51.0314 19.3452 176.5200 26 I 4.2191 8.3443 122.1618 61.2453 39.2073 175.5349 27 N 4.2025 8.5306 120.1971 54.3437 36.7711 174.3964 28 V 4.0787 7.8355 118.3172 61.9788 33.1153 174.9916 29 A 4.5981 8.5313 129.6478 51.9033 20.0071 176.2104 30 V 4.8250 8.5570 121.0645 61.4199 35.0457 173.9256 31 H 5.1622 9.2678 124.4836 53.8573 32.3697 172.6469 32 V 4.7742 8.8959 122.7696 61.1022 34.1584 174.2990 33 F 5.5318 9.3006 125.6936 55.7647 42.8511 173.8595 34 R 4.7756 9.0933 122.7125 54.1906 32.4910 175.0456 35 K 3.9217 8.6397 127.9395 56.1837 32.6071 176.7049 36 A 4.3166 9.1777 131.5154 50.6150 20.0222 177.7287 37 A 3.8572 8.4528 122.5066 55.4004 18.3681 178.4514 38 D 4.5445 7.9064 112.6444 53.4898 39.3966 176.4926 39 D 4.2031 7.9688 117.1509 55.5319 38.9513 173.8918 40 T 4.2862 7.5409 116.4625 62.1837 70.9251 173.7413 41 W 5.2881 8.4668 123.5423 55.7282 30.1277 175.6662 42 E 4.9566 9.2508 123.7640 53.6721 31.8016 173.8406 43 P 4.5396 0.0000 0.0000 63.7301 31.5223 175.2589 44 F 4.8313 8.7295 124.8766 59.2133 41.6787 174.9066 45 A 4.3792 7.6493 116.7251 51.7893 21.9880 175.0319 46 S 4.6146 7.7683 113.0701 57.5099 66.3054 173.4317 47 G 3.9262 7.4816 105.8507 46.4533 0.0000 171.8645 48 K 5.3778 8.4480 118.2570 54.2946 35.4417 176.8882 49 T 4.2789 8.5949 113.8815 61.7777 70.3612 175.3080 50 S 4.8283 8.7824 118.6355 57.6471 64.9278 174.4381 51 E 3.9698 8.6897 118.7394 59.0702 29.2325 177.8780 52 S 4.4523 8.0059 112.0362 57.7391 63.4659 174.9186 53 G 3.8458 8.3972 109.5400 45.2640 0.0000 172.7086 54 E 5.0767 7.7345 118.2663 54.1850 33.0047 174.8545 55 L 4.8710 8.7087 124.1145 53.9736 44.8677 175.2238 56 H 4.8541 8.7503 122.9667 54.5765 32.4384 175.4689 57 G 3.9843 8.8835 105.4181 45.9262 0.0000 174.5116 58 L 3.9734 7.2785 120.2247 57.5801 41.6390 176.8766 59 T 4.4968 7.3729 109.2103 61.0038 70.8098 171.6540 60 T 4.7231 8.0005 112.6228 59.2217 71.5520 175.0610 61 E 4.0777 9.0251 123.7210 60.3497 29.7547 179.1025 62 E 4.1734 8.7002 115.9054 59.7795 29.6007 180.7078 63 E 4.3976 7.7933 112.6903 57.6592 30.2741 179.0590 64 F 4.8852 7.8587 120.6224 57.4826 37.6061 175.0285 65 V 4.0761 7.4549 118.3398 59.2791 33.4680 175.6623 66 E 4.0233 8.5613 120.1625 56.1849 30.1006 177.2713 67 G 3.8195 7.3907 109.3439 46.5201 0.0000 170.8187 68 I 4.8785 7.1179 120.2465 59.8937 39.2244 174.9210 69 Y 5.1475 8.7503 123.8434 55.8965 42.1394 174.2684 70 K 4.7574 9.0408 123.7725 54.5524 35.2021 174.6975 71 V 4.7463 8.9977 128.1015 61.4437 33.4734 173.9383 72 E 5.0797 9.6380 128.4434 54.6599 32.0740 174.9532 73 I 4.5795 8.9468 125.9819 59.5726 40.1232 175.3336 74 D 4.7073 9.0615 128.7596 53.4141 38.4668 176.6317 75 T 3.9895 7.8417 115.0405 63.8968 69.3839 176.4858 76 K 4.0904 8.1354 122.0926 59.7087 32.3802 178.7821 77 S 4.1748 8.4584 115.3711 61.5026 62.4634 175.8598 78 Y 3.9539 7.3398 120.2438 60.7534 38.7996 178.2423 79 W 4.3914 8.1991 119.6279 59.6424 29.0975 178.8033 80 K 4.1828 8.3570 118.4142 59.3774 31.2726 179.0966 81 A 4.0434 7.7875 119.5279 54.0168 18.3781 178.5280 82 L 4.3913 7.6244 115.7704 54.3203 42.0722 177.1829 83 G 3.9273 8.2888 107.3388 45.7533 0.0000 173.2436 84 I 4.4311 7.6186 118.9629 58.9527 39.8229 175.2146 85 S 4.3602 8.7173 120.4132 56.8080 62.0346 171.7971 86 P 4.3782 0.0000 0.0000 61.2657 33.1290 175.7425 87 F 3.9554 8.2728 120.4939 60.8355 39.3713 175.6449 88 H 4.5269 7.8221 115.5775 54.7253 29.7230 175.3640 89 E 4.0328 8.6405 122.2541 59.6709 29.5605 176.1022 90 H 4.7334 7.3998 110.7171 55.8388 31.3557 172.8635 91 A 4.4230 8.6170 120.0471 50.0813 21.2364 175.1274 92 E 5.0486 8.9258 121.9201 54.4441 32.4820 175.6942 93 V 4.4552 9.0747 124.4132 61.1936 34.2370 174.1450 94 V 5.1334 8.6213 128.1049 61.1326 33.6562 174.4065 95 F 5.1534 8.9383 121.4244 56.1983 41.7434 172.9818 96 T 4.9348 8.7627 116.4472 62.7285 69.4586 174.5640 97 A 4.9273 8.9241 127.9754 49.6871 22.4029 175.6472 *104 R 4.4323 8.1734 116.3706 56.5527 31.5477 174.5896 105 Y 4.8133 9.3057 121.3742 56.4584 40.7912 174.6674 106 T 4.9495 8.8499 121.6383 61.8611 71.3448 173.4539 107 I 4.6502 8.7638 128.4101 59.9097 38.7615 174.5093 108 A 5.2270 8.8654 129.6727 50.0944 21.7136 175.2165 109 A 5.1579 8.9408 122.3263 50.0017 22.9518 174.6936 110 L 5.0342 9.0912 124.2560 53.3043 44.7446 174.9786 111 L 5.3578 9.1493 126.8030 53.3680 44.4044 175.8445 112 S 5.1119 9.4114 118.1332 56.0626 67.3033 173.4028 113 P 3.1972 0.0000 0.0000 65.2527 31.0246 177.8700 114 Y 4.6498 7.8536 111.7513 57.3554 38.5498 175.0297 115 S 4.7355 7.9516 114.3986 57.2216 65.6828 172.2746 116 Y 5.6280 7.7964 122.8251 55.6383 41.3548 173.5935 117 S 4.9509 9.1938 113.9771 57.0614 66.9265 172.5853 118 T 5.2066 8.2994 113.3632 61.3192 70.3436 172.6493 119 T 4.8714 9.0199 122.1863 61.9745 73.7293 172.3987 120 A 4.9786 8.5302 124.6972 50.1684 21.5424 175.7591 121 V 4.0648 8.8003 123.5836 61.2638 33.5757 174.8645 122 V 4.4427 8.3096 129.3914 61.3606 32.5755 175.4136 123 T 4.2265 8.2419 117.9501 61.6941 68.3119 173.9885 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 10 C 8.34 4.56 0.00 3.00 2.94 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 11 P 0.00 4.41 0.00 2.02 2.27 0.00 3.47 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 2.20 2.28 0.00 12 L 7.77 5.02 0.00 0.65 1.05 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.09 4.90 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 14 V 8.37 4.86 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 0.90 0.00 0.00 0.88 0.00 0.00 15 K 8.93 4.97 0.00 1.75 1.52 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.90 4.78 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 0.75 0.00 0.00 0.80 0.00 0.00 17 L 8.86 5.02 0.00 1.59 1.50 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.09 5.24 0.00 2.64 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 19 A 9.56 4.30 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 20 V 8.55 3.90 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 0.95 0.00 0.00 0.97 0.00 0.00 21 R 8.83 4.18 0.00 1.94 2.04 0.00 3.43 0.00 0.00 3.67 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 22 G 8.14 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 0.00 0.00 0.00 23 S 7.37 4.77 0.00 3.88 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 24 P 0.00 4.54 0.00 1.93 2.16 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 25 A 8.73 4.26 0.55 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 0.00 0.00 26 I 8.34 4.22 1.90 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 1.47 0.62 0.99 0.00 0.00 27 N 8.53 4.20 0.00 2.90 2.90 0.00 0.00 6.88 7.27 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 28 V 7.84 4.08 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 0.75 0.00 0.00 0.58 0.00 0.00 29 A 8.53 4.60 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 30 V 8.56 4.83 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 0.96 0.00 0.00 0.90 0.00 0.00 31 H 9.27 5.16 0.00 3.13 2.67 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.90 4.77 2.30 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 1.24 0.00 0.00 0.95 0.00 0.00 33 F 9.30 5.53 0.00 2.94 3.25 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 0.00 34 R 9.09 4.78 0.00 1.63 1.76 0.00 2.80 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.00 35 K 8.64 3.92 0.00 1.36 1.30 0.00 1.31 0.00 0.00 1.31 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.21 7.81 36 A 9.18 4.32 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 37 A 8.45 3.86 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 38 D 7.91 4.54 0.00 2.72 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 39 D 7.97 4.20 0.00 2.72 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 40 T 7.54 4.29 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 1.21 0.00 0.00 41 W 8.47 5.29 0.00 2.99 2.94 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 42 E 9.25 4.96 0.00 2.14 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 0.00 2.40 2.41 0.00 43 P 0.00 4.54 0.00 2.04 2.11 0.00 3.76 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 2.16 2.39 0.00 44 F 8.73 4.83 0.00 3.06 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 45 A 7.65 4.38 1.03 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 0.00 0.00 46 S 7.77 4.61 0.00 3.67 3.64 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 47 G 7.48 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.45 5.38 0.00 1.56 1.65 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 49 T 8.59 4.28 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 1.10 0.00 0.00 50 S 8.78 4.83 0.00 3.96 4.13 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 51 E 8.69 3.97 0.00 1.97 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 2.30 2.23 0.00 52 S 8.01 4.45 0.00 3.98 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 53 G 8.40 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 54 E 7.73 5.08 0.00 1.91 1.72 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 2.22 2.23 0.00 55 L 8.71 4.87 0.00 1.61 1.38 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.75 4.85 0.00 3.12 3.17 0.00 5.94 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 57 G 8.88 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 0.00 0.00 0.00 58 L 7.28 3.97 0.00 1.53 1.72 0.85 0.64 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 59 T 7.37 4.50 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 1.06 0.00 0.00 60 T 8.00 4.72 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 1.21 0.00 0.00 61 E 9.03 4.08 0.00 2.05 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 0.00 2.41 2.37 0.00 62 E 8.70 4.17 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 2.24 1.91 0.00 63 E 7.79 4.40 0.00 2.04 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 2.25 2.11 0.00 64 F 7.86 4.89 0.00 3.12 3.07 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 0.00 0.00 0.00 0.00 65 V 7.45 4.08 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 0.81 0.00 0.00 0.95 0.00 0.00 66 E 8.56 4.02 0.00 1.81 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 2.29 2.29 0.00 67 G 7.39 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 68 I 7.12 4.88 1.70 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 1.32 0.57 1.14 0.00 0.00 69 Y 8.75 5.15 0.00 1.76 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 70 K 9.04 4.76 0.00 0.79 0.74 0.00 1.41 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.09 7.81 71 V 9.00 4.75 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 0.93 0.00 0.00 1.15 0.00 0.00 72 E 9.64 5.08 0.00 2.17 1.78 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 2.06 2.17 0.00 73 I 8.95 4.58 1.73 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 1.03 0.78 0.78 0.00 0.00 74 D 9.06 4.71 0.00 2.77 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 75 T 7.84 3.99 4.47 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 1.16 0.00 0.00 76 K 8.14 4.09 0.00 2.18 1.90 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.59 7.81 77 S 8.46 4.17 0.00 3.96 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 78 Y 7.34 3.95 0.00 2.77 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 79 W 8.20 4.39 0.00 3.51 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 80 K 8.36 4.18 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.76 7.81 81 A 7.79 4.04 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 82 L 7.62 4.39 0.00 1.83 1.73 0.39 0.64 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 83 G 8.29 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.62 4.43 2.20 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.77 0.00 0.00 85 S 8.72 4.36 0.00 3.85 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 86 P 0.00 4.38 0.00 2.24 2.00 0.00 3.83 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 2.01 2.21 0.00 87 F 8.27 3.96 0.00 1.87 2.79 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 88 H 7.82 4.53 0.00 3.30 3.48 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.64 4.03 0.00 1.79 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 2.18 2.16 0.00 90 H 7.40 4.73 0.00 3.27 3.26 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.62 4.42 0.34 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 92 E 8.93 5.05 0.00 1.89 1.84 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 2.23 2.41 0.00 93 V 9.07 4.46 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 1.11 0.00 0.00 0.98 0.00 0.00 94 V 8.62 5.13 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 1.12 0.00 0.00 0.89 0.00 0.00 95 F 8.94 5.15 0.00 3.22 3.14 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 96 T 8.76 4.93 4.35 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 1.30 0.00 0.00 97 A 8.92 4.93 0.66 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 *104 R 8.17 4.43 0.00 2.05 1.91 0.00 3.08 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 105 Y 9.31 4.81 0.00 2.91 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 0.00 106 T 8.85 4.95 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 1.17 0.00 0.00 107 I 8.76 4.65 1.83 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.89 0.00 0.00 108 A 8.87 5.23 1.20 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 0.00 109 A 8.94 5.16 1.16 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 0.00 0.00 110 L 9.09 5.03 0.00 1.78 1.58 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.15 5.36 0.00 1.88 2.02 0.57 0.52 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 0.00 112 S 9.41 5.11 0.00 3.90 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 0.00 113 P 0.00 3.20 0.00 2.00 1.60 0.00 3.23 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.44 0.00 114 Y 7.85 4.65 0.00 2.80 2.83 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 0.00 115 S 7.95 4.74 0.00 3.81 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 0.00 116 Y 7.80 5.63 0.00 3.10 2.94 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 0.00 117 S 9.19 4.95 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 0.00 118 T 8.30 5.21 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 1.34 0.00 0.00 119 T 9.02 4.87 4.23 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 1.20 0.00 0.00 120 A 8.53 4.98 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 0.00 121 V 8.80 4.06 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 0.97 0.00 0.00 0.89 0.00 0.00 122 V 8.31 4.44 1.87 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 0.40 0.00 0.00 0.55 0.00 0.00 123 T 8.24 4.23 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.