NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0704 8.3016 109.1396 45.2410 0.0000 172.3050 *2 L 4.3783 8.2128 122.2266 55.1579 43.8946 176.7337 3 F 4.7931 9.6633 125.9115 56.3167 40.8659 174.4701 4 H 5.4563 8.7294 125.1188 54.0698 31.4292 173.0898 5 Q 4.8114 9.0544 125.9464 53.9973 31.5598 175.1719 6 V 4.6041 8.2114 123.1569 60.8814 35.4055 173.9766 7 F 4.8147 8.7969 125.3031 55.4791 42.2747 174.0494 8 F 5.4499 9.2879 121.8429 55.5065 42.3211 174.1605 9 W 5.2292 9.6391 123.2978 54.9045 31.2039 175.6497 10 L 4.8116 9.6504 125.7689 54.5323 41.4163 177.6072 11 K 4.0907 9.1348 122.4074 58.8401 32.8069 177.4456 12 N 4.9625 7.9328 117.6247 50.2166 38.2650 171.6410 13 P 4.5059 0.0000 0.0000 63.7032 32.3311 177.5005 14 G 3.8171 8.4280 108.1017 46.1211 0.0000 173.9716 15 D 4.5259 7.9131 120.0150 53.0924 41.3340 176.1555 16 K 3.8568 8.6217 128.8212 59.4338 32.2909 177.9474 17 A 3.9865 8.0462 120.4427 55.5240 18.2557 179.2435 18 D 4.2957 8.5540 117.2126 57.3303 40.8578 178.8814 19 R 3.8903 8.2116 119.3625 59.7642 30.0470 178.2703 20 D 4.3645 8.7040 118.8576 57.1744 40.6953 178.8064 21 K 3.9306 8.1094 120.1764 59.3685 32.2022 178.6020 22 L 4.0279 8.0988 120.6477 58.2245 41.9364 178.9626 23 I 3.6372 7.9450 119.5073 64.4248 37.1885 178.3154 24 A 4.0895 8.3890 121.9620 55.0787 17.9685 179.9274 25 G 3.8137 8.2449 103.5072 47.8779 0.0000 175.6897 26 L 3.6827 8.1093 121.4139 57.5111 41.8109 179.7264 27 K 3.8924 8.2345 118.2797 59.3959 31.8653 178.8570 28 A 4.2194 7.9686 119.6502 53.8198 18.2882 178.8447 29 L 4.1866 7.8483 117.6930 55.8773 41.4379 178.7951 30 K 3.9077 7.7512 118.6432 59.6015 32.2811 178.3821 31 A 4.2737 7.5912 121.2122 53.6779 18.4318 177.3348 32 I 3.9365 7.8032 120.0596 60.5497 36.9590 176.6651 33 D 4.5101 8.6416 125.9269 55.5899 39.6120 177.9995 34 V 3.8044 7.7596 112.2220 63.2715 31.9004 176.1687 35 I 3.4373 7.3923 121.4284 61.0791 36.9770 175.9420 36 Q 4.1147 8.3671 125.9875 58.0873 29.0804 176.4363 37 Q 4.4758 7.1261 113.5607 54.1179 33.1959 174.7682 38 L 4.5233 8.0184 123.0789 53.9989 44.9434 174.8937 39 H 4.9837 9.4273 123.9867 53.8899 32.1681 173.0783 40 V 4.7946 8.4632 121.8382 61.4249 34.6186 174.4037 41 G 4.3133 8.9778 112.6511 45.6707 0.0000 171.3283 42 V 5.0931 8.1252 111.6591 58.4401 36.0199 174.3026 43 P 4.1209 0.0000 0.0000 62.9268 31.5172 176.7866 44 A 4.2336 8.3831 124.9723 51.8841 19.0541 176.7596 45 A 4.3415 8.2208 121.1328 52.5450 18.4368 178.4593 46 T 4.1068 7.8473 112.1622 62.7839 69.8064 174.4405 47 E 3.8345 8.5836 117.9681 56.3392 29.7954 177.2865 48 K 4.2295 8.5103 125.3946 54.9229 31.3680 176.2186 49 R 4.5616 7.9919 124.9721 54.3062 32.0053 177.6051 50 D 4.4095 8.6521 119.5582 57.8247 40.8366 178.8067 51 V 3.7433 7.6526 110.0059 62.8063 31.9383 176.0791 52 V 3.8603 7.5009 120.8196 61.6761 31.7742 174.5551 53 D 4.7452 8.6837 127.7068 53.3073 41.2182 175.0291 54 N 4.7261 8.7148 123.7968 52.5781 37.5734 175.6729 55 S 4.4253 8.6591 115.1334 60.0852 63.8570 174.1885 56 Y 2.8722 7.3457 118.6310 56.6740 38.3459 174.8734 57 D 4.6494 8.6673 120.5765 55.5486 42.5889 177.5975 58 V 4.9139 7.8134 117.0714 61.1107 35.2252 174.4142 59 S 5.0907 9.2148 121.7801 56.5507 66.3829 172.4659 60 E 5.0178 8.5975 121.4182 54.6125 33.2789 173.8848 61 L 5.5357 8.9213 127.1678 51.9972 46.8005 174.8181 *63 V 3.8219 8.0783 119.6508 62.5399 32.5446 173.9750 64 F 5.0688 8.5676 125.5770 55.4743 41.7804 175.8476 65 K 4.1449 8.9526 120.3514 59.1451 32.5520 177.7744 66 S 4.6196 7.5252 111.6669 56.2159 66.5023 175.8103 67 V 3.5746 8.2359 121.7520 66.1722 31.2239 178.0103 68 E 3.9314 8.0773 117.9691 59.4382 29.3980 178.8547 69 D 4.3540 8.1027 119.0247 57.3482 40.7922 178.5714 70 Q 2.5870 7.9828 122.5146 59.1365 28.9985 179.0829 71 K 3.9088 8.0111 124.9128 59.8495 31.4922 181.5300 72 R 4.1364 7.7166 118.4331 59.0631 30.1966 178.2391 73 Y 4.2745 8.0116 119.3233 60.8646 38.6373 177.9785 74 R 3.6323 7.9233 118.3271 59.1683 30.1424 177.1038 75 D 4.6664 7.5437 115.0153 53.3233 41.8943 175.9776 76 H 4.3442 7.7565 121.9210 54.7955 30.6743 174.3550 77 P 4.3099 0.0000 0.0000 66.1733 30.8738 178.7266 78 L 4.0713 8.1862 118.2381 57.2927 41.5903 178.9248 79 L 4.0419 7.8816 120.1322 58.2408 42.0571 178.8083 80 Q 4.0524 8.0469 117.7277 58.7585 28.6179 178.7330 81 K 3.9495 8.4443 120.9825 59.4086 32.1950 178.5790 82 F 4.2470 8.3595 121.0031 61.4450 39.2757 177.2980 83 V 3.4742 8.2715 117.6769 65.7695 31.1132 177.8349 84 A 3.9016 7.9444 119.6565 55.2695 18.3272 179.0889 85 D 4.4070 8.4164 116.3926 57.0856 41.2599 177.9122 86 C 4.4442 7.8737 115.1323 59.3969 29.4223 176.1033 87 S 2.0000 7.5448 116.6899 60.1791 62.1396 175.8694 88 H 4.0618 7.6186 117.4338 57.9983 28.4061 176.9502 89 L 4.0433 7.4444 122.4515 55.2611 41.5069 176.5237 90 W 5.4535 6.8235 114.8464 54.6534 30.4246 175.4802 91 S 4.8198 9.2985 114.7542 59.4444 64.1953 174.1464 92 K 4.7880 8.2013 120.2242 55.2587 35.4176 174.5983 93 V 4.9922 8.3528 124.9575 61.2052 35.0050 174.3904 94 V 4.4029 8.7407 125.6607 61.0032 34.6936 174.2073 95 V 4.7284 8.1478 126.5314 61.2034 34.3258 173.9895 96 Y 4.7902 9.1936 124.8616 56.3951 41.0580 174.0826 97 D 5.3496 8.9639 124.4354 53.0566 43.2381 174.4074 98 S 5.4195 9.1442 124.7034 57.5132 66.5475 173.6225 *100 S 4.4339 8.5322 116.3031 59.3440 64.0693 174.4445 101 V 4.0289 8.0693 113.8642 61.7491 32.2094 175.6123 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 0 G 8.30 4.07 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 0.00 0.00 0.00 *2 L 8.21 4.38 0.00 1.86 1.77 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.66 4.79 0.00 3.02 3.04 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 4 H 8.73 5.46 0.00 3.45 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.05 4.81 0.00 2.27 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 6 V 8.21 4.60 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 0.06 0.00 0.00 0.67 0.00 0.00 7 F 8.80 4.81 0.00 2.87 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 0.00 0.00 0.00 0.00 8 F 9.29 5.45 0.00 2.90 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 9 W 9.64 5.23 0.00 3.41 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 10 L 9.65 4.81 0.00 1.70 1.78 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 K 9.13 4.09 0.00 1.67 1.93 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.55 7.81 12 N 7.93 4.96 0.00 2.88 2.75 0.00 0.00 7.16 8.03 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 13 P 0.00 4.51 0.00 2.10 2.08 0.00 3.81 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 2.12 2.36 0.00 14 G 8.43 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 15 D 7.91 4.53 0.00 2.82 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 K 8.62 3.86 0.00 1.87 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.52 7.81 17 A 8.05 3.99 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 0.00 0.00 0.00 0.00 0.00 18 D 8.55 4.30 0.00 2.88 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 19 R 8.21 3.89 0.00 1.99 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 D 8.70 4.36 0.00 2.73 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 21 K 8.11 3.93 0.00 1.96 1.98 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 22 L 8.10 4.03 0.00 1.90 1.81 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.95 3.64 2.01 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 1.45 0.59 0.90 0.00 0.00 24 A 8.39 4.09 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 25 G 8.24 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 0.00 0.00 0.00 26 L 8.11 3.68 0.00 1.75 1.58 0.71 0.37 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 27 K 8.23 3.89 0.00 1.76 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.61 7.81 28 A 7.97 4.22 1.39 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 29 L 7.85 4.19 0.00 1.78 1.79 0.54 0.56 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 30 K 7.75 3.91 0.00 1.90 1.91 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.45 7.81 31 A 7.59 4.27 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 32 I 7.80 3.94 2.06 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 0.81 1.10 1.03 0.00 0.00 33 D 8.64 4.51 0.00 2.79 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 34 V 7.76 3.80 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 0.80 0.00 0.00 1.20 0.00 0.00 35 I 7.39 3.44 1.73 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 0.92 0.51 0.58 0.00 0.00 36 Q 8.37 4.11 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 37 Q 7.13 4.48 0.00 1.66 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.78 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 38 L 8.02 4.52 0.00 1.39 1.34 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.43 4.98 0.00 2.98 3.09 0.00 5.61 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 40 V 8.46 4.79 2.06 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 0.79 0.00 0.00 0.87 0.00 0.00 41 G 8.98 4.31 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 0.00 42 V 8.13 5.09 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 0.83 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.12 0.00 1.81 1.65 0.00 3.47 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.47 0.00 44 A 8.38 4.23 1.25 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 0.00 0.00 45 A 8.22 4.34 1.27 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 0.00 0.00 46 T 7.85 4.11 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 1.22 0.00 0.00 47 E 8.58 3.83 0.00 2.01 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 2.24 1.89 0.00 48 K 8.51 4.23 0.00 1.68 1.79 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.52 7.81 49 R 7.99 4.56 0.00 1.90 1.81 0.00 3.19 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 50 D 8.65 4.41 0.00 2.66 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 51 V 7.65 3.74 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 0.66 0.00 0.00 0.92 0.00 0.00 52 V 7.50 3.86 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 0.74 0.00 0.00 0.93 0.00 0.00 53 D 8.68 4.75 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 54 N 8.71 4.73 0.00 2.69 2.79 0.00 0.00 6.28 7.64 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 55 S 8.66 4.43 0.00 4.24 4.19 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 56 Y 7.35 2.87 0.00 2.29 1.43 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 57 D 8.67 4.65 0.00 2.61 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.81 4.91 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 1.13 0.00 0.00 0.94 0.00 0.00 59 S 9.21 5.09 0.00 3.51 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 60 E 8.60 5.02 0.00 2.08 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 2.11 2.19 0.00 61 L 8.92 5.54 0.00 1.65 1.44 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *63 V 8.08 3.82 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 0.48 0.00 0.00 0.37 0.00 0.00 64 F 8.57 5.07 0.00 2.85 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 65 K 8.95 4.14 0.00 1.93 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.41 7.81 66 S 7.53 4.62 0.00 4.19 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 67 V 8.24 3.57 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 1.11 0.00 0.00 0.94 0.00 0.00 68 E 8.08 3.93 0.00 2.09 1.97 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 2.39 2.45 0.00 69 D 8.10 4.35 0.00 2.90 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 70 Q 7.98 2.59 0.00 1.33 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.13 1.90 0.00 71 K 8.01 3.91 0.00 1.80 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 72 R 7.72 4.14 0.00 2.01 2.07 0.00 3.33 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 73 Y 8.01 4.27 0.00 3.12 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 74 R 7.92 3.63 0.00 1.93 2.03 0.00 3.36 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 75 D 7.54 4.67 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 76 H 7.76 4.34 0.00 3.39 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.31 0.00 2.30 2.29 0.00 3.23 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 78 L 8.19 4.07 0.00 1.77 1.81 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.88 4.04 0.00 1.37 1.61 0.99 0.43 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 80 Q 8.05 4.05 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 81 K 8.44 3.95 0.00 2.05 2.03 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.32 7.81 82 F 8.36 4.25 0.00 3.24 3.30 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 83 V 8.27 3.47 2.18 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 1.16 0.00 0.00 1.29 0.00 0.00 84 A 7.94 3.90 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 85 D 8.42 4.41 0.00 2.70 2.73 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 86 C 7.87 4.44 0.00 2.18 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 87 S 7.54 2.00 0.00 3.20 3.55 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 88 H 7.62 4.06 0.00 3.22 3.32 0.00 5.53 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 89 L 7.44 4.04 0.00 1.78 1.77 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 90 W 6.82 5.45 0.00 3.67 3.36 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 91 S 9.30 4.82 0.00 3.96 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 0.00 92 K 8.20 4.79 0.00 1.80 1.70 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.16 1.23 7.81 93 V 8.35 4.99 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 0.16 0.00 0.00 0.25 0.00 0.00 94 V 8.74 4.40 2.37 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 0.61 0.00 0.00 0.95 0.00 0.00 95 V 8.15 4.73 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 0.89 0.00 0.00 0.78 0.00 0.00 96 Y 9.19 4.79 0.00 2.90 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 97 D 8.96 5.35 0.00 2.65 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 98 S 9.14 5.42 0.00 3.77 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 *100 S 8.53 4.43 0.00 4.05 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 0.00 101 V 8.07 4.03 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 0.73 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.