NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5952 8.3231 116.7917 58.0914 66.7146 172.8678 9 G 3.8061 8.0342 113.8882 43.0144 0.0000 171.0198 10 K 3.8897 7.1891 126.3334 56.4358 31.2239 175.0755 11 R 4.1117 7.3801 117.0908 56.5136 29.1734 175.3367 12 P 4.3418 0.0000 0.0000 64.9135 31.7816 176.6741 13 I 3.9124 8.0134 117.6489 59.5559 38.9078 174.3613 14 V 4.5984 7.1362 122.0890 59.9255 32.1163 171.9370 15 A 4.3147 7.8304 125.6289 51.7082 19.7673 175.9072 16 N 5.0907 8.3856 111.9945 51.3554 39.9486 174.8587 17 S 4.5447 8.4062 116.3696 57.5317 65.7594 172.9202 18 I 4.4315 8.1714 120.2463 59.9961 38.4634 175.4700 19 Q 4.6976 8.1237 127.0661 54.1720 31.3497 176.2568 20 R 4.5568 8.4288 121.3550 55.7687 31.9612 176.8658 21 R 4.5388 8.8480 119.4134 53.6093 29.6918 173.1498 22 G 3.7772 8.2616 106.3990 46.8310 0.0000 171.3698 23 K 4.6831 8.6383 127.2785 54.4329 32.2798 175.1343 24 A 4.8009 8.1181 125.9616 51.0747 20.6415 176.6570 25 K 4.5605 8.0342 119.4615 55.0925 36.0350 175.4724 26 R 4.0293 7.9950 122.6823 58.1814 31.2493 172.4529 27 E 4.1593 10.2510 119.9599 54.9554 29.6172 176.4320 28 G 4.2918 9.6901 121.0328 46.3673 0.0000 173.6395 29 G 3.9983 8.4633 106.9601 45.7806 0.0000 175.6163 30 V 4.3461 7.6495 118.9410 59.8982 32.8762 175.1645 31 G 4.2758 8.2282 113.7725 43.8528 0.0000 174.2871 32 K 4.6987 8.6242 128.6088 54.7071 34.7029 174.4789 33 K 4.2212 8.4757 120.2240 60.0590 34.2895 175.4312 34 T 4.4907 7.8937 109.6855 62.2032 70.5714 173.8252 35 T 4.4696 8.5034 119.0807 59.5860 71.9789 172.7236 36 G 3.7235 9.0227 114.2168 46.6546 0.0000 172.6239 37 I 3.9377 8.4547 128.0100 62.5231 38.9398 175.5448 38 S 4.7987 7.5156 112.6499 57.5501 65.3279 175.8978 39 K 4.5300 8.8303 128.0726 56.4163 32.5972 176.7418 40 R 4.7153 8.3517 123.3455 54.4916 34.3027 173.9712 41 R 4.4933 8.6257 123.2751 56.1201 30.4273 175.8707 42 Q 4.6657 9.2392 126.5010 54.9536 32.5846 173.4742 43 Y 4.8460 8.3314 121.6544 56.1939 40.6826 172.6519 44 P 4.6525 0.0000 0.0000 61.6113 32.1087 175.2802 45 N 4.6501 8.5640 122.6857 51.9325 39.5805 175.6009 46 L 4.1229 8.2703 122.3560 55.4634 41.5624 177.9820 47 Q 4.3754 8.3146 121.9247 55.6471 28.0191 177.8243 48 K 4.0518 8.2236 125.5990 55.3577 31.7346 178.7011 49 V 3.7230 9.0764 114.8735 62.5593 32.1735 168.9119 50 R 4.8678 8.2586 124.2979 54.8166 32.5934 175.9025 51 V 4.3353 8.8818 123.9871 61.1650 33.9731 175.1036 52 R 4.8007 8.9102 126.7373 55.7169 31.3210 175.7039 53 V 4.2794 8.0234 118.0146 61.5329 34.4448 174.1900 54 A 3.8358 9.3273 123.6790 56.2942 17.8745 182.8845 55 G 3.3580 6.0517 99.8583 45.6241 0.0000 175.1884 56 Q 4.3801 7.1122 118.1311 54.1841 32.8447 175.9770 57 E 4.9636 7.8590 117.5095 55.0959 30.1439 175.0860 58 I 4.3547 8.0234 122.1824 60.2979 39.8742 176.7509 59 T 5.1172 8.2736 121.9494 61.7745 71.9753 172.8306 60 F 4.6709 9.0905 124.0610 55.8489 42.7827 175.2235 61 R 4.4971 8.7464 123.3039 55.0535 29.2566 175.0328 62 V 4.6452 8.0532 121.8923 59.0142 34.6370 175.8376 63 A 4.4314 8.7961 123.8587 51.5151 19.3169 176.1904 64 A 4.0229 8.5993 125.4145 55.3294 18.6741 175.9360 65 S 4.5875 8.1427 120.3411 59.1175 61.5766 174.9821 66 H 4.7384 8.3788 116.4394 56.0658 32.9882 174.9973 67 I 3.6487 8.2913 122.3470 64.2912 37.1876 175.6169 68 P 4.3783 0.0000 0.0000 66.4291 30.4330 177.7477 69 K 3.7456 7.5083 119.1877 58.9446 32.1791 178.1624 70 V 3.1580 7.5493 118.0885 66.1035 31.3482 177.4586 71 Y 4.0261 7.5488 115.6131 61.1058 37.6543 178.1108 72 E 4.1380 8.3136 118.2120 58.2649 29.3879 177.8671 73 L 4.3815 7.9870 118.8877 57.3407 42.2806 178.9806 74 V 3.7420 7.6194 117.4597 64.1157 32.0272 176.1092 75 E 4.3883 8.4591 120.4934 55.5924 28.8791 178.9077 76 R 4.3273 7.5166 116.7764 55.0058 32.1865 175.0482 77 A 4.3426 8.2523 125.4300 51.1631 17.4314 176.6755 78 K 4.4107 8.4586 119.4487 55.9537 32.7603 177.9237 79 G 3.9123 8.0782 104.2126 46.4118 0.0000 172.0791 80 L 4.5236 7.4908 117.8728 53.1740 44.8943 177.5900 81 K 4.2567 8.4480 125.3916 55.7525 31.8580 176.6974 82 L 4.0670 8.3325 122.2762 56.9819 42.4208 177.6485 83 E 4.5459 8.8681 121.3306 56.3280 32.5374 175.8091 84 G 4.2285 8.4600 111.8111 46.8661 0.0000 174.7316 85 L 4.2145 7.5764 118.1920 54.8434 42.4214 177.9364 86 S 4.3829 8.0161 109.4458 57.3050 62.3429 172.2257 87 P 4.2570 0.0000 0.0000 66.2229 31.7760 176.6163 88 K 3.9832 7.9251 117.4862 58.8847 32.3255 178.0314 89 E 4.1186 8.1711 116.8656 59.6744 28.9491 178.7988 90 I 3.7398 7.1962 120.7771 63.8904 37.0722 177.7804 91 K 4.5653 9.2386 115.2904 57.0109 32.0838 177.0121 92 K 4.4775 8.2506 118.3915 57.9731 34.8654 178.2438 93 E 4.1155 8.3463 117.0189 57.7509 30.4078 178.0921 94 L 3.2156 7.3213 113.1821 56.9503 41.6642 178.7524 95 L 4.9450 5.6200 119.0895 53.3894 45.7279 174.7018 *96 K 4.1215 8.0533 121.1868 55.2208 32.3453 172.1462 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 8 S 8.32 4.60 0.00 3.89 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 9 G 8.03 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 10 K 7.19 3.89 0.00 2.22 2.30 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.27 7.81 11 R 7.38 4.11 0.00 2.15 2.15 0.00 3.42 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 12 P 0.00 4.34 0.00 1.99 2.08 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 13 I 8.01 3.91 1.38 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.78 0.00 0.00 14 V 7.14 4.60 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 0.66 0.00 0.00 0.91 0.00 0.00 15 A 7.83 4.31 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 16 N 8.39 5.09 0.00 2.66 2.69 0.00 0.00 5.85 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 17 S 8.41 4.54 0.00 3.85 3.88 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 18 I 8.17 4.43 1.91 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 1.47 0.78 1.05 0.00 0.00 19 Q 8.12 4.70 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 20 R 8.43 4.56 0.00 1.71 1.89 0.00 3.44 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 21 R 8.85 4.54 0.00 1.86 1.89 0.00 3.18 0.00 0.00 3.18 7.09 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 G 8.26 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.64 4.68 0.00 2.12 1.66 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 24 A 8.12 4.80 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 25 K 8.03 4.56 0.00 1.84 1.61 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.39 7.81 26 R 7.99 4.03 0.00 1.83 1.90 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 27 E 10.25 4.16 0.00 2.27 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 2.26 2.27 0.00 28 G 9.69 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 0.00 0.00 0.00 0.00 29 G 8.46 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 30 V 7.65 4.35 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 0.81 0.00 0.00 0.96 0.00 0.00 31 G 8.23 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 0.00 0.00 0.00 0.00 32 K 8.62 4.70 0.00 2.18 1.63 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 33 K 8.48 4.22 0.00 1.83 1.97 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 T 7.89 4.49 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 1.23 0.00 0.00 35 T 8.50 4.47 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 36 G 9.02 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 37 I 8.45 3.94 1.92 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 1.11 1.13 0.99 0.00 0.00 38 S 7.52 4.80 0.00 3.91 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 39 K 8.83 4.53 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 R 8.35 4.72 0.00 1.93 1.70 0.00 3.26 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 41 R 8.63 4.49 0.00 1.75 1.90 0.00 3.43 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 42 Q 9.24 4.67 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 43 Y 8.33 4.85 0.00 2.87 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 44 P 0.00 4.65 0.00 2.05 2.50 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 45 N 8.56 4.65 0.00 2.62 2.74 0.00 0.00 7.20 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 46 L 8.27 4.12 0.00 1.71 1.63 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.31 4.38 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 48 K 8.22 4.05 0.00 1.88 1.09 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 V 9.08 3.72 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 0.88 0.00 0.00 0.95 0.00 0.00 50 R 8.26 4.87 0.00 1.86 1.80 0.00 3.25 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 51 V 8.88 4.34 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 0.77 0.00 0.00 0.91 0.00 0.00 52 R 8.91 4.80 0.00 1.78 1.89 0.00 3.37 0.00 0.00 3.96 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 53 V 8.02 4.28 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 0.84 0.00 0.00 0.84 0.00 0.00 54 A 9.33 3.84 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 55 G 6.05 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 0.00 0.00 0.00 56 Q 7.11 4.38 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.35 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 57 E 7.86 4.96 0.00 1.83 1.83 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 2.21 2.28 0.00 58 I 8.02 4.35 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.30 0.68 0.00 0.00 59 T 8.27 5.12 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 1.20 0.00 0.00 60 F 9.09 4.67 0.00 2.86 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 61 R 8.75 4.50 0.00 1.79 1.90 0.00 3.07 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 62 V 8.05 4.65 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 0.66 0.00 0.00 0.96 0.00 0.00 63 A 8.80 4.43 1.28 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 0.00 0.00 64 A 8.60 4.02 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 65 S 8.14 4.59 0.00 4.08 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 0.00 66 H 8.38 4.74 0.00 3.30 3.25 0.00 5.66 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 67 I 8.29 3.65 1.92 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 1.49 0.94 1.09 0.00 0.00 68 P 0.00 4.38 0.00 2.27 2.36 0.00 3.74 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 2.07 2.05 0.00 69 K 7.51 3.75 0.00 1.68 2.04 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.53 7.81 70 V 7.55 3.16 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 0.20 0.00 0.00 0.33 0.00 0.00 71 Y 7.55 4.03 0.00 3.23 2.96 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 72 E 8.31 4.14 0.00 1.96 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 0.00 2.33 2.37 0.00 73 L 7.99 4.38 0.00 1.79 1.66 0.99 0.71 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 74 V 7.62 3.74 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 0.90 0.00 0.00 0.97 0.00 0.00 75 E 8.46 4.39 0.00 1.96 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 0.00 2.35 2.31 0.00 76 R 7.52 4.33 0.00 1.91 1.83 0.00 3.32 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 77 A 8.25 4.34 1.26 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 0.00 0.00 78 K 8.46 4.41 0.00 1.76 1.82 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.42 7.81 79 G 8.08 3.91 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 0.00 0.00 0.00 80 L 7.49 4.52 0.00 1.59 1.57 0.92 0.99 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 81 K 8.45 4.26 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 82 L 8.33 4.07 0.00 1.58 1.57 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.87 4.55 0.00 1.88 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 2.13 2.29 0.00 84 G 8.46 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 0.00 0.00 0.00 0.00 85 L 7.58 4.21 0.00 1.61 1.63 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.02 4.38 0.00 4.09 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 87 P 0.00 4.26 0.00 2.12 2.15 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 88 K 7.93 3.98 0.00 1.74 1.94 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.52 7.81 89 E 8.17 4.12 0.00 2.17 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 0.00 2.52 2.36 0.00 90 I 7.20 3.74 2.21 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 1.58 1.43 1.24 0.00 0.00 91 K 9.24 4.57 0.00 1.88 1.91 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.26 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.71 1.81 7.81 92 K 8.25 4.48 0.00 2.05 1.74 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.43 7.81 93 E 8.35 4.12 0.00 2.15 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 2.33 2.26 0.00 94 L 7.32 3.22 0.00 1.81 1.61 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 95 L 5.62 4.95 0.00 1.73 1.79 0.92 1.25 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 *96 K 8.05 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.