NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4496 8.1749 117.3743 63.4711 70.1122 172.9725 2 S 4.6163 9.4434 121.1407 55.0282 66.1044 171.6082 3 I 5.2416 8.1564 118.1437 59.6196 41.2134 174.0044 4 M 4.8516 8.8381 119.3198 54.5166 34.8365 173.1680 5 A 5.1862 8.4544 120.8737 50.2948 22.5588 175.6251 6 V 4.4826 8.9305 121.9040 61.1829 34.5937 174.8712 7 T 4.9052 8.7529 118.6416 61.7010 70.3870 173.7760 8 F 4.8906 8.9754 117.5548 55.3832 41.1932 174.6679 9 K 3.7616 8.9612 121.0290 60.0735 31.6146 176.9832 10 D 4.5734 7.3720 114.6857 53.8474 42.7438 177.7679 11 G 4.4317 5.3800 110.8415 45.4804 0.0000 175.6272 12 V 5.1744 8.0701 120.0053 60.4257 33.9927 172.0015 13 I 4.6501 8.9307 123.1345 59.5972 40.6347 174.2934 14 L 5.1410 8.5611 125.8082 53.1283 43.8743 176.0122 15 G 4.3461 9.1606 108.9358 45.0482 0.0000 171.0539 16 A 5.6230 8.4560 120.6370 51.8609 22.2225 175.8875 17 D 4.7905 8.5313 119.8375 52.1357 42.2198 176.1061 18 S 4.8598 8.3354 111.0057 58.2745 64.4352 172.8511 19 R 5.1170 8.4796 121.2714 55.7394 31.4357 175.2812 20 T 4.8000 8.7833 116.5764 60.0305 71.4613 173.0581 21 T 5.1220 8.6349 115.1062 60.0424 71.9133 174.1011 22 T 4.4685 8.6473 112.6860 60.4569 70.1467 174.6792 23 G 4.1229 8.3233 121.3959 46.8561 0.0000 173.3933 24 A 4.4314 8.6287 127.0695 52.0863 19.7199 176.7232 25 Y 4.4046 7.6104 117.5165 56.7406 39.5463 174.6955 26 I 4.2447 7.3653 127.6618 59.8486 36.6083 175.5463 27 A 3.9753 8.1727 130.1416 54.3646 18.7669 177.5073 28 N 4.7637 7.6459 112.9524 52.7092 41.8744 174.6837 29 R 4.5060 8.5706 121.0962 56.4354 30.3963 176.4862 30 V 4.5682 8.1058 112.5761 61.2262 32.5721 176.1868 31 T 3.9579 8.0662 116.6413 64.2195 69.2752 173.8498 32 D 4.8280 8.6484 124.2782 52.9615 42.3170 175.7575 33 K 4.3895 8.7176 125.1674 56.6955 33.7285 176.3724 34 L 4.5797 8.1515 121.2889 54.3023 42.1515 176.2426 35 T 4.5033 8.9828 122.2512 61.4883 70.8631 174.2142 36 R 2.9320 7.8886 127.2176 55.3842 30.3333 176.0811 37 V 4.1841 7.6314 117.8392 61.7169 33.6800 174.8030 38 H 4.5891 7.6766 117.5118 54.9742 32.4915 173.5942 39 D 4.5051 8.2093 122.5995 57.3972 40.6906 179.5254 40 K 4.8866 8.2409 116.2855 56.0912 33.1591 175.1250 41 I 5.1236 8.1112 120.1897 59.5944 40.1072 174.9111 42 W 5.5882 9.9705 126.5376 55.1056 33.8179 173.8984 43 C 5.3098 9.4320 114.9821 57.2726 33.2224 172.4877 44 C 5.3297 8.9926 117.7531 57.3927 30.4310 173.2119 45 R 5.0571 8.6092 122.1521 54.7349 32.2236 175.6461 46 S 4.4884 8.7727 116.0020 58.0519 66.5332 172.6665 47 G 3.9644 8.8769 105.3954 44.0753 0.0000 173.6066 48 S 4.1374 9.1367 117.6006 58.0230 63.1081 175.5900 49 A 3.9989 8.8455 129.8025 55.1197 18.3104 179.1566 50 A 3.9346 7.9620 118.7883 55.3875 18.5050 179.4355 51 D 4.3107 8.0804 117.5300 57.8625 40.9576 179.2121 52 T 3.9663 8.1275 110.3293 64.9452 68.5939 176.5263 53 Q 4.0232 8.2032 120.6727 58.6649 28.7529 178.4962 54 A 3.9866 7.9753 121.5530 55.0473 18.3434 179.8397 55 I 3.5910 8.0475 118.1621 64.4394 37.2104 178.3375 56 A 4.0085 8.4313 121.9831 55.4862 18.2394 179.2779 57 D 4.3308 8.3304 117.4324 57.7559 40.8015 179.3373 58 I 3.7925 7.7397 120.1539 64.2600 37.0133 178.6705 59 V 3.4053 8.0131 119.6124 65.8627 31.2631 177.7699 60 Q 4.0540 8.3806 119.7630 59.2778 28.8431 177.6499 61 Y 4.0648 7.8901 120.3670 61.2634 38.8891 177.8574 62 H 3.8174 8.5085 117.2036 58.8480 28.7810 177.7840 63 L 4.0627 8.2202 120.8442 57.2694 41.5319 179.0692 64 E 3.9632 8.1139 119.7381 59.0465 29.3920 178.5613 65 L 3.8155 7.6748 120.5404 57.8961 42.0662 178.2021 66 Y 4.0043 8.0861 119.5979 61.1034 38.5656 178.1750 67 T 4.5088 7.8282 116.4278 66.4216 68.6567 176.4096 68 S 4.1586 7.7555 115.5278 61.0908 62.8139 175.9866 69 Q 4.0026 7.0716 119.1419 56.7681 29.3290 176.1347 70 Y 4.4410 7.4315 114.6354 57.7334 39.4686 175.2972 *72 G 4.3336 7.5168 108.8102 45.2285 0.0000 172.0682 73 T 4.2132 8.5631 115.4895 63.5189 68.6805 172.5457 74 P 4.5638 0.0000 0.0000 61.8612 32.8583 176.6921 75 S 4.4017 8.1291 115.0535 58.3187 64.8081 175.4314 76 T 3.8780 8.3341 119.5554 66.7043 68.2027 176.3548 77 E 3.9442 8.1395 120.7539 59.7762 29.6890 178.9150 78 T 3.7844 7.9659 115.3557 66.4504 68.4070 176.5237 79 A 3.9216 7.9223 122.2710 55.1689 18.4572 179.5806 80 A 4.1398 8.3241 119.4634 55.2708 18.2941 179.8547 81 S 4.0456 8.1726 111.9185 61.4996 62.5927 176.5876 82 V 3.5162 7.7709 120.9516 65.8656 31.1718 177.9474 83 F 3.9946 8.1926 117.5879 60.3712 38.7654 177.4234 84 K 3.9551 8.3207 119.1308 59.6173 32.0845 178.0588 85 E 3.9859 8.4235 119.7140 59.5982 28.9292 178.9679 86 L 4.0391 7.8434 118.2141 58.0872 41.4886 179.3565 87 C 4.2749 8.2394 115.8109 62.7246 28.3894 175.3766 88 Y 4.2717 8.8117 121.5321 60.8760 38.3427 177.5072 89 E 3.8513 8.0540 118.5126 58.3471 29.9399 176.8480 90 N 5.0291 7.7143 115.5148 52.3416 39.2992 176.6676 91 K 3.8521 7.6587 120.2844 60.0537 32.8384 177.9396 92 D 4.2903 7.9597 119.1578 57.1799 40.9313 177.4659 *94 N 5.1319 7.8733 113.0039 52.5318 40.1281 173.6817 95 L 5.1122 7.4036 116.9424 53.4676 45.3379 176.9177 96 T 4.7142 8.5088 116.7012 61.5616 70.0792 171.5125 97 A 5.0350 8.3455 124.8943 49.8403 22.6500 175.5549 98 G 3.9787 9.4992 109.7134 44.6335 0.0000 171.4332 99 I 4.7290 8.2749 127.0224 59.0630 39.6092 175.3767 100 I 4.3481 8.3886 127.0471 59.5567 39.3305 174.6078 101 V 4.7382 8.2933 126.7709 61.1270 33.5480 174.7596 102 A 4.7594 9.3921 128.9511 50.6233 22.5742 175.2309 103 G 4.6034 8.6690 107.8733 45.1981 0.0000 171.0978 104 Y 4.7619 8.8823 121.8629 55.4583 40.8737 175.1790 105 D 4.3085 7.8605 124.7690 54.2249 41.5662 175.2222 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 T 8.17 4.45 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 2 S 9.44 4.62 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 3 I 8.16 5.24 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 8.84 4.85 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.45 5.19 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 6 V 8.93 4.48 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 1.02 0.00 0.00 0.93 0.00 0.00 7 T 8.75 4.91 4.27 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 1.24 0.00 0.00 8 F 8.98 4.89 0.00 3.26 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 9 K 8.96 3.76 0.00 1.81 2.04 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.52 7.81 10 D 7.37 4.57 0.00 2.46 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 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 0.00 0.00 0.00 0.00 12 V 8.07 5.17 2.16 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 0.79 0.00 0.00 1.02 0.00 0.00 13 I 8.93 4.65 1.81 0.00 0.00 0.46 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 0.85 0.82 0.00 0.00 14 L 8.56 5.14 0.00 1.43 1.57 0.91 0.95 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 15 G 9.16 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 0.00 0.00 0.00 0.00 16 A 8.46 5.62 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 17 D 8.53 4.79 0.00 2.68 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 18 S 8.34 4.86 0.00 3.98 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 19 R 8.48 5.12 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 20 T 8.78 4.80 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 1.21 0.00 0.00 21 T 8.63 5.12 4.45 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 1.17 0.00 0.00 22 T 8.65 4.47 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 1.26 0.00 0.00 23 G 8.32 4.12 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 0.00 0.00 0.00 24 A 8.63 4.43 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 25 Y 7.61 4.40 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 26 I 7.37 4.24 1.54 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 1.22 0.54 0.80 0.00 0.00 27 A 8.17 3.98 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 28 N 7.65 4.76 0.00 2.63 2.60 0.00 0.00 6.73 7.53 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 29 R 8.57 4.51 0.00 1.91 1.94 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 8.11 4.57 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.07 3.96 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 1.22 0.00 0.00 32 D 8.65 4.83 0.00 2.70 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 33 K 8.72 4.39 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 8.15 4.58 0.00 1.90 1.91 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.98 4.50 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 1.19 0.00 0.00 36 R 7.89 2.93 0.00 0.67 1.14 0.00 3.08 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 37 V 7.63 4.18 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 0.83 0.00 0.00 1.11 0.00 0.00 38 H 7.68 4.59 0.00 3.16 3.15 0.00 5.91 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 39 D 8.21 4.51 0.00 2.73 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 40 K 8.24 4.89 0.00 1.97 1.98 0.00 1.80 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.11 5.12 1.99 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 1.36 1.04 1.04 0.00 0.00 42 W 9.97 5.59 0.00 3.15 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 43 C 9.43 5.31 0.00 2.80 2.86 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 44 C 8.99 5.33 0.00 2.84 2.86 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 45 R 8.61 5.06 0.00 1.70 1.86 0.00 3.25 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 46 S 8.77 4.49 0.00 3.81 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 47 G 8.88 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 0.00 0.00 0.00 48 S 9.14 4.14 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.00 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 50 A 7.96 3.93 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 51 D 8.08 4.31 0.00 2.90 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 52 T 8.13 3.97 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 1.30 0.00 0.00 53 Q 8.20 4.02 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 54 A 7.98 3.99 1.40 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 55 I 8.05 3.59 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 1.05 0.00 0.00 56 A 8.43 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.33 0.00 2.90 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 58 I 7.74 3.79 1.98 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 1.36 0.84 1.01 0.00 0.00 59 V 8.01 3.41 1.65 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 0.63 0.00 0.00 -0.08 0.00 0.00 60 Q 8.38 4.05 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 61 Y 7.89 4.06 0.00 3.10 3.15 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 62 H 8.51 3.82 0.00 3.30 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.22 4.06 0.00 1.66 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.11 3.96 0.00 2.16 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 2.27 2.31 0.00 65 L 7.67 3.82 0.00 1.32 1.33 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.09 4.00 0.00 3.31 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 67 T 7.83 4.51 4.45 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 1.28 0.00 0.00 68 S 7.76 4.16 0.00 3.89 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 69 Q 7.07 4.00 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 70 Y 7.43 4.44 0.00 2.30 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 *72 G 7.52 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 0.00 0.00 0.00 0.00 73 T 8.56 4.21 4.32 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 1.29 0.00 0.00 74 P 0.00 4.56 0.00 1.74 1.22 0.00 3.63 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 1.76 1.69 0.00 75 S 8.13 4.40 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.88 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 1.27 0.00 0.00 77 E 8.14 3.94 0.00 2.00 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 2.36 2.39 0.00 78 T 7.97 3.78 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 0.78 0.00 0.00 79 A 7.92 3.92 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 80 A 8.32 4.14 1.40 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 81 S 8.17 4.05 0.00 3.98 4.05 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 0.00 0.00 0.00 82 V 7.77 3.52 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 0.78 0.00 0.00 0.88 0.00 0.00 83 F 8.19 3.99 0.00 3.33 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 84 K 8.32 3.96 0.00 1.97 2.04 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.47 1.44 7.81 85 E 8.42 3.99 0.00 2.30 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 0.00 2.32 2.46 0.00 86 L 7.84 4.04 0.00 1.98 1.72 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.24 4.27 0.00 3.05 3.08 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 88 Y 8.81 4.27 0.00 2.92 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 89 E 8.05 3.85 0.00 2.29 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 2.36 2.32 0.00 90 N 7.71 5.03 0.00 2.94 2.74 0.00 0.00 6.59 7.56 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 91 K 7.66 3.85 0.00 1.84 2.09 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.39 1.33 7.81 92 D 7.96 4.29 0.00 2.73 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 *94 N 7.87 5.13 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.40 5.11 0.00 1.71 1.54 0.95 0.74 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 96 T 8.51 4.71 4.25 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 1.22 0.00 0.00 97 A 8.35 5.03 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 98 G 9.50 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 99 I 8.27 4.73 1.58 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 1.36 0.90 0.26 0.00 0.00 100 I 8.39 4.35 1.84 0.00 0.00 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 1.08 1.03 0.89 0.00 0.00 101 V 8.29 4.74 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 0.83 0.00 0.00 0.52 0.00 0.00 102 A 9.39 4.76 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 0.00 103 G 8.67 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 0.00 104 Y 8.88 4.76 0.00 2.97 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 0.00 105 D 7.86 4.31 0.00 2.48 2.24 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 * Residues marked with a * may have inaccurate shift predictions.