NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 F 4.7684 8.3131 119.4174 57.4004 40.6226 174.7061 8 G 3.9140 8.5007 111.2180 44.7578 0.0000 170.5572 9 E 4.1234 9.1381 114.3062 59.0988 31.0463 174.0997 10 G 3.6018 8.1754 104.6144 46.5894 0.0000 174.8799 *12 K 4.1805 8.0538 121.3607 56.1052 34.2586 178.4693 13 V 3.5467 7.8968 118.1384 65.8780 31.3274 178.3112 14 V 3.6537 7.8642 117.7564 65.9274 31.1991 177.6866 15 A 3.5131 7.8659 118.6158 55.0100 18.1240 179.0294 16 A 3.9216 7.7720 117.7465 55.1608 18.5520 179.3322 17 A 3.8637 7.9088 118.2094 53.7294 20.2426 177.7728 18 Y 4.8575 8.0259 114.9210 54.6306 39.3182 173.7395 19 P 4.3220 0.0000 0.0000 65.7537 31.9469 177.7248 20 D 4.4177 8.1386 117.1452 57.0927 40.8015 178.3962 21 L 3.9379 7.9760 120.5100 58.1597 42.1299 177.8985 22 Y 4.0342 8.4390 119.9560 61.1504 38.6982 178.1017 23 D 4.2695 8.3907 119.4537 57.4974 40.8154 179.0009 24 I 3.7586 7.7372 120.1726 64.2058 37.0547 178.5291 25 I 3.5911 7.7616 120.8354 64.1992 36.8016 178.5869 26 V 3.4357 7.4935 119.1745 65.9082 31.2641 178.1693 27 K 3.9244 7.9812 118.1547 59.2873 31.8633 178.9699 28 L 3.8838 8.1780 120.8964 58.1272 42.0237 178.4254 29 N 4.3291 8.5363 117.2517 57.1018 38.7418 176.5463 30 D 4.4803 8.2560 118.9767 57.5998 41.1614 178.7418 31 T 4.0122 8.1909 116.4715 66.5839 68.2791 176.7477 32 V 3.4963 8.0230 119.1944 65.8376 31.4053 177.1133 33 F 5.5282 7.6541 115.6456 56.5029 40.1652 177.4831 34 T 4.5762 7.4328 118.4674 60.8404 67.1593 174.3380 35 G 3.8684 7.5501 112.5937 45.0686 0.0000 171.6385 36 K 4.2109 8.5485 120.1781 58.5779 32.6890 178.0681 37 T 4.4432 7.8155 111.7775 64.9287 70.8945 174.6325 38 L 4.1620 7.8099 119.8743 54.4844 42.4205 177.2539 39 D 4.8041 8.4121 122.8051 52.5434 42.1414 176.9974 40 Y 4.3664 8.4956 119.6930 60.6918 38.7224 177.4733 41 K 3.6333 8.1573 120.0870 59.9545 32.2545 178.5601 42 T 3.8692 8.4063 115.8124 66.8480 68.3667 176.6617 43 Q 4.1464 8.1699 119.8820 59.0147 28.7272 179.0764 44 K 3.9752 8.3466 119.9193 59.2452 31.9869 179.3933 45 L 3.9650 8.0514 119.4292 57.7991 41.5011 179.5777 46 I 3.7203 7.9364 119.4925 64.3244 37.0327 178.2759 47 A 4.0612 8.1836 121.6024 55.2015 18.1626 179.6362 48 I 3.7362 8.0336 118.4817 64.5053 37.1454 178.6551 49 G 3.7543 8.1271 106.3771 48.0153 0.0000 175.6936 50 I 3.7125 7.6637 121.0660 64.1142 37.5172 178.4543 51 V 3.7333 7.9993 118.8971 65.9636 31.1571 177.8580 52 A 4.1455 8.3007 119.8963 54.4958 18.2814 179.1747 53 S 4.3012 7.7382 111.4395 60.5123 63.5625 173.7980 54 R 4.6947 7.6088 121.2033 54.9751 32.4203 175.0696 55 C 4.4384 8.3665 114.2135 60.5545 28.8546 175.0597 56 D 4.5588 7.7568 119.9757 53.1584 39.5517 175.1560 57 E 3.9543 8.7410 129.0910 59.8918 29.6787 179.3360 58 V 3.6342 7.8696 118.4664 65.8695 31.7657 179.7899 59 A 4.2199 8.2042 121.2322 55.0231 18.0070 179.6989 60 I 3.6150 7.7901 117.3923 64.5527 37.3372 177.7382 61 E 4.1174 8.3031 121.4079 60.0505 29.6606 179.4686 62 K 4.2383 8.2696 123.5577 59.7298 31.7714 181.4632 63 Q 4.3892 8.0647 115.8362 56.5156 28.0738 178.4923 *65 K 4.2162 7.9128 120.7232 56.5572 34.2250 177.4997 66 S 4.1273 8.1962 113.0803 61.4042 63.0755 176.7077 67 A 3.8823 8.0738 122.6486 53.5093 17.7108 179.6532 *69 K 4.1687 8.2070 122.3103 56.6084 33.9470 181.5798 70 E 4.1754 8.7363 114.8840 58.2064 28.5379 179.8859 71 L 4.4531 7.9170 117.8525 53.5245 42.6178 177.7501 72 G 3.8046 8.1970 106.0204 46.1289 0.0000 173.9160 73 I 3.9105 6.9606 117.9944 61.2699 37.7432 176.8366 74 T 4.4302 8.7126 115.4463 60.5979 71.5575 176.3631 75 K 3.9856 8.3903 120.9206 59.4620 32.1704 179.2252 76 E 3.9459 8.1219 119.3097 59.2614 29.7144 178.5962 77 E 3.9802 8.2995 118.6119 59.4804 29.5347 179.3326 78 I 3.6954 7.8906 119.6081 64.3568 37.1416 178.2861 79 A 4.0413 8.4232 121.9776 55.3662 18.0318 179.4594 80 D 4.3651 8.1137 117.0642 57.3163 40.8160 179.0823 81 V 3.5751 7.6913 118.6908 66.1184 31.4713 178.1837 82 L 4.2127 8.1531 118.5024 57.5218 41.4968 179.5841 83 R 3.8814 8.1087 118.5567 59.3201 29.9462 179.1814 84 V 3.5991 7.4566 117.5443 65.7837 31.5096 178.0133 85 V 3.5963 7.8503 118.1645 65.9963 31.2632 177.5849 86 L 4.0523 8.1850 120.0227 58.3081 41.6363 178.8155 87 L 3.9034 7.4814 118.4302 58.1909 42.1181 178.5263 88 T 4.2182 8.0011 108.4700 63.6283 69.1593 175.5235 89 S 4.6502 8.2606 114.0878 57.1874 66.7192 173.8347 90 G 3.9625 7.7666 106.0415 43.8290 0.0000 173.4445 *92 P 4.2946 0.0000 0.0000 62.1793 33.2561 178.2993 93 A 4.0076 7.9977 119.3230 54.9666 18.0818 179.1623 94 F 4.1712 7.8780 118.0442 61.8441 39.5823 177.2198 95 T 3.7603 7.8954 107.4317 64.3608 69.0253 175.9360 96 K 4.0456 8.0715 122.2859 59.0899 32.1596 179.8044 97 A 3.8684 7.7482 119.0231 52.3315 18.2994 179.0788 *99 K 4.2557 8.0438 123.8375 58.1514 34.1024 177.9733 100 I 3.6783 7.6470 118.4315 64.2503 37.1818 177.7703 101 L 4.0592 8.1497 121.4733 58.2483 41.6756 178.8085 102 E 3.9518 8.0210 116.7829 59.3775 29.5842 178.8858 103 K 4.1954 7.7206 115.6291 57.7312 32.3609 177.1329 104 L 4.1610 7.4077 123.8870 54.9427 41.5452 176.6634 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 7 F 8.31 4.77 0.00 3.13 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 8 G 8.50 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 9 E 9.14 4.12 0.00 1.91 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 2.31 1.88 0.00 10 G 8.18 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 *12 K 8.05 4.18 0.00 2.02 1.89 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.63 7.81 13 V 7.90 3.55 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 1.08 0.00 0.00 0.99 0.00 0.00 14 V 7.86 3.65 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 1.16 0.00 0.00 1.07 0.00 0.00 15 A 7.87 3.51 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.92 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 17 A 7.91 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.03 4.86 0.00 3.01 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 19 P 0.00 4.32 0.00 2.18 2.11 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 20 D 8.14 4.42 0.00 2.74 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 21 L 7.98 3.94 0.00 1.78 1.96 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.44 4.03 0.00 3.13 3.19 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 23 D 8.39 4.27 0.00 2.94 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 24 I 7.74 3.76 1.84 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 1.51 0.83 0.88 0.00 0.00 25 I 7.76 3.59 1.71 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 1.33 0.64 0.72 0.00 0.00 26 V 7.49 3.44 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 1.17 0.00 0.00 0.13 0.00 0.00 27 K 7.98 3.92 0.00 2.07 1.83 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.32 7.81 28 L 8.18 3.88 0.00 1.76 1.82 0.88 0.46 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 29 N 8.54 4.33 0.00 3.09 3.22 0.00 0.00 7.30 8.21 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 30 D 8.26 4.48 0.00 2.84 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 31 T 8.19 4.01 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 1.19 0.00 0.00 32 V 8.02 3.50 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 0.07 0.00 0.00 0.86 0.00 0.00 33 F 7.65 5.53 0.00 3.22 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 34 T 7.43 4.58 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 1.21 0.00 0.00 35 G 7.55 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 0.00 0.00 0.00 36 K 8.55 4.21 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.40 7.81 37 T 7.82 4.44 4.26 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 1.22 0.00 0.00 38 L 7.81 4.16 0.00 1.68 1.65 0.95 1.05 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 39 D 8.41 4.80 0.00 3.01 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 40 Y 8.50 4.37 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.16 3.63 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 42 T 8.41 3.87 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 1.23 0.00 0.00 43 Q 8.17 4.15 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 44 K 8.35 3.98 0.00 1.50 1.57 0.00 1.30 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.56 0.52 7.81 45 L 8.05 3.97 0.00 1.86 1.71 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.94 3.72 2.10 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 1.48 0.76 0.94 0.00 0.00 47 A 8.18 4.06 1.57 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 0.00 0.00 48 I 8.03 3.74 2.02 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 1.43 0.75 0.91 0.00 0.00 49 G 8.13 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 50 I 7.66 3.71 2.02 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 1.42 0.72 0.93 0.00 0.00 51 V 8.00 3.73 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 1.05 0.00 0.00 1.04 0.00 0.00 52 A 8.30 4.15 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 53 S 7.74 4.30 0.00 4.04 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 54 R 7.61 4.69 0.00 1.95 1.93 0.00 3.16 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 55 C 8.37 4.44 0.00 2.96 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 56 D 7.76 4.56 0.00 2.72 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 57 E 8.74 3.95 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 2.38 1.97 0.00 58 V 7.87 3.63 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 0.93 0.00 0.00 59 A 8.20 4.22 1.47 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 0.00 0.00 0.00 60 I 7.79 3.62 2.00 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 1.41 0.75 0.90 0.00 0.00 61 E 8.30 4.12 0.00 2.27 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 2.33 2.21 0.00 62 K 8.27 4.24 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 63 Q 8.06 4.39 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.37 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 *65 K 7.91 4.22 0.00 2.07 1.89 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 66 S 8.20 4.13 0.00 3.92 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 67 A 8.07 3.88 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 *69 K 8.21 4.17 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 70 E 8.74 4.18 0.00 1.94 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 2.26 2.15 0.00 71 L 7.92 4.45 0.00 1.79 1.59 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.20 3.80 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 0.00 0.00 0.00 73 I 6.96 3.91 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.91 0.00 0.00 74 T 8.71 4.43 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 75 K 8.39 3.99 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.48 7.81 76 E 8.12 3.95 0.00 2.03 1.94 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 2.38 2.41 0.00 77 E 8.30 3.98 0.00 2.20 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 2.32 2.34 0.00 78 I 7.89 3.70 1.97 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 1.43 0.80 0.90 0.00 0.00 79 A 8.42 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.37 0.00 2.94 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 81 V 7.69 3.58 2.27 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 1.13 0.00 0.00 0.96 0.00 0.00 82 L 8.15 4.21 0.00 2.03 1.87 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.11 3.88 0.00 2.07 1.97 0.00 3.26 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 84 V 7.46 3.60 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 1.08 0.00 0.00 0.98 0.00 0.00 85 V 7.85 3.60 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 1.02 0.00 0.00 1.07 0.00 0.00 86 L 8.19 4.05 0.00 1.14 1.57 0.70 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.48 3.90 0.00 1.64 1.80 0.88 0.87 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 88 T 8.00 4.22 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 1.23 0.00 0.00 89 S 8.26 4.65 0.00 4.03 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 90 G 7.77 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 *92 P 0.00 4.29 0.00 2.24 2.17 0.00 3.64 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 2.03 2.11 0.00 93 A 8.00 4.01 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 94 F 7.88 4.17 0.00 3.00 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 95 T 7.90 3.76 4.22 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 1.35 0.00 0.00 96 K 8.07 4.05 0.00 1.93 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.44 7.81 97 A 7.75 3.87 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 *99 K 8.04 4.26 0.00 1.86 1.97 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 100 I 7.65 3.68 1.97 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 1.38 0.76 0.89 0.00 0.00 101 L 8.15 4.06 0.00 1.76 1.59 0.89 0.97 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 0.00 102 E 8.02 3.95 0.00 2.12 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 2.28 2.35 0.00 103 K 7.72 4.20 0.00 2.01 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.35 7.81 104 L 7.41 4.16 0.00 1.80 1.56 0.90 1.23 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 * Residues marked with a * may have inaccurate shift predictions.