NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2361 7.8833 121.4000 61.2131 39.0543 174.1170 3 V 4.6771 8.4160 120.2355 58.8804 34.3849 173.4318 4 T 4.6513 8.3911 118.1626 60.9686 71.3157 173.8230 5 T 4.5146 8.4526 116.7840 62.3596 69.7185 174.8221 6 T 4.3135 7.6458 113.6098 61.3834 69.8620 175.3787 7 S 4.5242 8.4951 116.5345 59.2821 63.3125 173.9502 8 G 4.1159 7.5716 107.7546 44.4764 0.0000 172.3436 9 I 4.3091 7.9543 119.1154 58.8392 37.9659 175.1957 10 Q 4.0646 8.5549 123.7981 57.7000 28.9819 178.0283 11 G 4.1251 8.9450 110.5774 45.2823 0.0000 173.6250 12 K 4.5064 7.7576 118.1599 54.8616 33.9464 175.6153 13 E 4.6478 8.3260 121.1174 54.5520 31.6713 175.2832 14 I 4.3731 8.1321 123.5847 60.9771 37.7373 175.8121 15 I 4.2583 8.4893 126.6092 62.2603 38.4877 175.9807 16 E 4.5461 7.6763 122.7363 55.2523 33.0729 173.5304 17 Y 4.6013 8.7964 125.3973 56.9545 37.5188 175.6604 18 I 3.9538 8.6857 125.4458 63.4870 37.7697 175.8568 19 D 4.5087 7.5529 118.0961 53.3693 44.4361 174.5999 20 I 4.4325 8.5057 124.0819 61.4514 38.0164 175.8539 21 V 4.6645 9.1241 119.1318 59.7975 35.6685 174.2976 22 N 5.5441 8.6328 118.4701 52.0931 43.0681 173.8936 23 G 4.6707 8.8592 106.2006 45.2767 0.0000 171.6980 24 E 5.6090 9.2502 120.0765 54.2244 34.1715 174.5029 25 A 4.6155 8.3290 120.6466 51.4583 22.0622 176.4586 26 I 4.5576 8.0621 121.9885 59.8007 39.9607 175.1719 *28 G 3.7450 8.3109 109.3873 45.9530 0.0000 173.6590 29 A 4.0107 8.3622 122.0841 55.0188 19.0499 179.8451 30 N 4.3619 8.2721 113.7783 56.7725 39.0358 177.0756 31 I 3.8023 7.7150 120.7214 64.6796 36.8830 178.7039 32 V 4.2670 7.8119 112.2497 63.9482 30.6232 178.6287 33 R 3.7605 8.0351 118.7877 58.5886 29.8764 177.4167 34 D 4.8475 7.6870 116.8553 55.9677 42.1164 178.7285 35 L 4.0059 7.7221 117.8024 57.3349 41.8194 178.9586 36 F 4.2774 7.8905 116.9944 59.7041 39.1054 178.0171 37 A 4.1244 7.5274 119.8131 54.9720 18.1931 179.5007 38 S 4.1980 8.0268 113.1503 60.3392 63.1294 175.3369 39 V 3.8426 7.1410 121.8602 62.8812 31.7572 175.7513 40 R 4.6126 8.5937 123.5478 56.0789 33.6461 175.6555 41 D 4.8123 7.8062 116.5388 54.3329 41.1396 177.6206 42 V 4.0880 8.4105 120.9876 61.0390 31.4501 174.8729 43 V 4.2701 8.2510 127.6782 60.8127 32.9871 175.8450 44 G 4.0016 8.4848 116.5342 44.5650 0.0000 174.3304 45 G 3.2891 8.5075 107.6911 48.4307 0.0000 175.4790 46 R 3.9154 8.0935 117.8596 59.1578 30.3016 177.9707 47 A 4.0141 7.9825 118.7519 54.9691 18.6039 178.3838 48 G 3.5981 7.6749 103.4870 45.5561 0.0000 173.6596 49 S 4.3765 8.2306 113.3873 58.6764 64.0541 175.1907 50 Y 4.0564 7.1158 119.8904 58.7228 37.9120 176.9020 51 E 3.8982 7.3783 121.9367 59.1588 29.8359 178.3541 52 S 3.8119 7.8392 113.8887 61.2577 63.0462 176.6015 53 K 3.9781 7.9242 121.6246 59.0893 31.9960 178.7982 54 L 4.0988 7.8665 120.2620 58.2628 41.9802 179.0066 55 K 4.0264 8.9564 120.5980 59.2604 32.1065 178.3496 56 E 3.9004 8.4830 119.5908 59.3847 29.6337 178.7437 57 A 4.0558 8.2118 120.7857 55.1471 18.1772 179.6123 58 R 3.9004 8.0550 116.5590 59.6893 30.2477 178.2296 59 D 4.5162 8.2481 118.1272 57.0679 41.0761 178.4767 60 I 3.9064 7.9416 120.2596 64.2329 37.2142 179.2646 61 A 3.9306 7.7707 118.2786 53.1018 17.9832 178.7768 *63 D 4.5120 8.1120 122.4984 55.9009 43.0102 177.6300 64 E 4.0870 8.0460 116.6928 57.0960 29.3000 178.2404 *66 K 4.2067 8.1501 117.9417 56.1652 34.1545 177.7331 67 E 3.9155 8.5186 119.3093 59.1389 28.9403 178.5448 68 L 3.8997 8.1464 120.2138 58.0951 42.3076 178.7796 69 A 4.0020 7.9218 120.1678 55.0444 18.3176 179.2950 70 K 4.0392 8.4365 118.5341 59.8003 32.1500 178.5535 71 Q 4.1976 8.1817 115.4628 57.1362 28.7643 177.3325 72 K 4.4190 7.5410 117.8852 55.4914 32.8170 176.3568 73 G 3.7063 8.3051 107.3868 46.4175 0.0000 173.5410 74 A 4.6890 7.5930 121.0733 50.5813 20.6679 177.4453 75 N 5.1307 8.2398 116.3337 52.0665 38.4820 173.9393 76 A 4.7152 7.5813 118.1631 51.6509 22.9009 175.7993 77 I 4.9562 8.7454 121.6092 59.7064 40.1499 175.6634 78 V 4.5118 8.6639 120.0789 59.4330 35.1931 176.0396 79 G 4.0535 9.0754 107.9313 46.4379 0.0000 174.2140 80 V 3.9802 7.8223 119.4343 62.9974 32.2291 174.7282 81 D 4.9736 9.3247 127.1812 52.3463 44.1994 174.5006 82 V 4.6325 8.4014 125.1244 61.2243 33.3147 173.9387 83 D 4.9297 9.3168 127.9935 52.4962 44.6704 173.7999 84 Y 5.0416 8.5241 121.0054 56.2368 40.7940 174.9250 85 E 4.7122 8.7296 122.3125 54.5497 33.6663 175.1816 86 V 4.1741 8.4311 124.8947 59.7727 31.2639 175.7098 87 V 3.5441 7.9176 127.3867 63.5764 32.0978 176.7482 88 R 4.3959 8.0127 119.2834 55.6291 30.1573 178.5444 89 D 4.5198 8.0407 115.6690 54.9787 40.9379 175.4147 90 G 3.8580 7.5992 108.2022 44.0547 0.0000 171.5260 *92 L 4.4446 7.5572 119.0139 54.6578 43.9029 175.5474 *94 V 4.0418 7.8991 118.7798 61.4471 32.8045 174.1037 95 A 5.1499 8.9887 127.3759 49.9476 21.8196 175.2565 96 V 5.0477 9.0416 115.1529 59.6899 35.5417 174.9746 97 S 5.5819 8.3468 117.1456 55.9917 67.4541 172.7595 98 G 4.1599 7.8021 106.6375 46.9891 0.0000 171.2299 99 T 5.1644 8.2858 116.8247 61.4179 70.4357 174.6880 100 A 4.5535 8.8326 130.0102 52.1285 19.6490 176.3592 101 V 4.7756 8.7246 120.9201 61.3629 36.0534 173.2041 102 R 5.1045 8.7707 126.4692 54.3575 32.2989 176.0753 103 I 4.7176 8.6494 118.7892 60.2080 37.6199 175.2107 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 2 I 7.88 4.24 1.86 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 1.34 0.61 0.90 0.00 0.00 3 V 8.42 4.68 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 0.68 0.00 0.00 0.93 0.00 0.00 4 T 8.39 4.65 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 1.26 0.00 0.00 5 T 8.45 4.51 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 1.27 0.00 0.00 6 T 7.65 4.31 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 7 S 8.50 4.52 0.00 3.90 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 8 G 7.57 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 9 I 7.95 4.31 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.90 0.00 0.00 10 Q 8.55 4.06 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 11 G 8.94 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 0.00 0.00 0.00 12 K 7.76 4.51 0.00 1.89 1.71 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.52 7.81 13 E 8.33 4.65 0.00 2.00 1.82 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 2.31 2.30 0.00 14 I 8.13 4.37 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.09 0.00 0.00 15 I 8.49 4.26 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.90 0.00 0.00 16 E 7.68 4.55 0.00 1.97 1.68 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 2.29 2.36 0.00 17 Y 8.80 4.60 0.00 2.85 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 18 I 8.69 3.95 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.92 0.00 0.00 19 D 7.55 4.51 0.00 2.75 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 20 I 8.51 4.43 1.88 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 0.67 0.91 0.00 0.00 21 V 9.12 4.66 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 0.84 0.00 0.00 0.98 0.00 0.00 22 N 8.63 5.54 0.00 2.53 2.70 0.00 0.00 6.68 7.65 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 23 G 8.86 4.67 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 0.00 0.00 0.00 24 E 9.25 5.61 0.00 1.80 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 2.22 2.12 0.00 25 A 8.33 4.62 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 26 I 8.06 4.56 1.88 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 0.72 0.93 0.00 0.00 *28 G 8.31 3.75 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 0.00 0.00 0.00 29 A 8.36 4.01 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 30 N 8.27 4.36 0.00 2.86 2.84 0.00 0.00 7.23 7.82 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 31 I 7.72 3.80 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.37 1.01 0.00 0.00 32 V 7.81 4.27 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 0.91 0.00 0.00 1.11 0.00 0.00 33 R 8.04 3.76 0.00 2.30 2.05 0.00 3.07 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 34 D 7.69 4.85 0.00 2.95 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 35 L 7.72 4.01 0.00 1.44 1.53 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.89 4.28 0.00 3.10 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 37 A 7.53 4.12 1.45 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 0.00 0.00 38 S 8.03 4.20 0.00 4.03 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 39 V 7.14 3.84 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 0.78 0.00 0.00 0.96 0.00 0.00 40 R 8.59 4.61 0.00 1.79 1.90 0.00 3.38 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 41 D 7.81 4.81 0.00 2.59 2.25 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 42 V 8.41 4.09 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 0.86 0.00 0.00 0.94 0.00 0.00 43 V 8.25 4.27 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 0.93 0.00 0.00 0.97 0.00 0.00 44 G 8.48 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 0.00 0.00 0.00 45 G 8.51 3.29 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 0.00 46 R 8.09 3.92 0.00 1.74 1.97 0.00 3.24 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 47 A 7.98 4.01 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 48 G 7.67 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 49 S 8.23 4.38 0.00 3.92 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 50 Y 7.12 4.06 0.00 2.02 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 E 7.38 3.90 0.00 1.62 1.77 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 2.26 2.12 0.00 52 S 7.84 3.81 0.00 4.06 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 53 K 7.92 3.98 0.00 1.83 1.97 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.46 7.81 54 L 7.87 4.10 0.00 2.15 2.04 1.12 0.48 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 55 K 8.96 4.03 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 56 E 8.48 3.90 0.00 2.28 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 2.33 2.35 0.00 57 A 8.21 4.06 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 58 R 8.05 3.90 0.00 2.07 2.20 0.00 3.36 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 59 D 8.25 4.52 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 60 I 7.94 3.91 2.03 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 1.47 0.66 0.92 0.00 0.00 61 A 7.77 3.93 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 *63 D 8.11 4.51 0.00 2.75 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 64 E 8.05 4.09 0.00 2.11 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 0.00 2.30 2.28 0.00 *66 K 8.15 4.21 0.00 2.05 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 E 8.52 3.92 0.00 2.12 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 2.31 2.36 0.00 68 L 8.15 3.90 0.00 1.98 1.64 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.92 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 70 K 8.44 4.04 0.00 1.84 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 71 Q 8.18 4.20 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.54 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 72 K 7.54 4.42 0.00 1.94 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.61 7.81 73 G 8.31 3.71 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 0.00 0.00 0.00 74 A 7.59 4.69 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 75 N 8.24 5.13 0.00 2.67 2.84 0.00 0.00 6.70 7.39 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 76 A 7.58 4.72 1.18 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 0.00 0.00 0.00 77 I 8.75 4.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.04 0.91 0.00 0.00 78 V 8.66 4.51 2.23 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 0.66 0.00 0.00 1.01 0.00 0.00 79 G 9.08 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 0.00 0.00 0.00 80 V 7.82 3.98 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 0.77 0.00 0.00 0.97 0.00 0.00 81 D 9.32 4.97 0.00 2.66 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 0.00 0.00 0.00 82 V 8.40 4.63 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 0.58 0.00 0.00 0.90 0.00 0.00 83 D 9.32 4.93 0.00 2.69 2.34 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 84 Y 8.52 5.04 0.00 2.85 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 85 E 8.73 4.71 0.00 1.83 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 2.41 2.21 0.00 86 V 8.43 4.17 1.99 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 0.65 0.00 0.00 0.82 0.00 0.00 87 V 7.92 3.54 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 0.93 0.00 0.00 88 R 8.01 4.40 0.00 1.94 1.86 0.00 3.34 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 89 D 8.04 4.52 0.00 2.81 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 90 G 7.60 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 *92 L 7.56 4.44 0.00 1.45 1.59 0.80 0.93 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 *94 V 7.90 4.04 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 0.83 0.00 0.00 0.74 0.00 0.00 95 A 8.99 5.15 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 96 V 9.04 5.05 2.04 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 0.67 0.00 0.00 0.96 0.00 0.00 97 S 8.35 5.58 0.00 3.85 4.01 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 0.00 0.00 0.00 98 G 7.80 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 0.00 0.00 0.00 99 T 8.29 5.16 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 1.36 0.00 0.00 100 A 8.83 4.55 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 0.00 101 V 8.72 4.78 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 0.73 0.00 0.00 0.67 0.00 0.00 102 R 8.77 5.10 0.00 1.84 1.68 0.00 3.29 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 103 I 8.65 4.72 1.83 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 1.30 1.93 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.