NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2850 8.1693 122.4937 54.8341 43.9693 177.0162 7 S 4.5452 8.1208 111.7530 57.8620 63.0280 171.4052 8 E 4.3361 8.8287 121.0897 57.3149 30.8913 177.4354 9 L 4.5936 7.4925 118.5777 52.3080 43.2867 174.5059 10 P 4.3798 0.0000 0.0000 64.1198 31.9132 177.0385 11 N 4.4723 8.9249 115.7414 53.7097 36.0485 174.4063 12 I 4.2747 7.1379 119.7711 59.4110 37.5811 176.3372 13 G 3.9694 8.3083 112.8809 43.5045 0.0000 172.7042 14 K 3.9742 8.5086 118.8519 59.5366 31.9582 179.7581 15 V 3.6053 7.7654 117.8690 65.9187 31.2821 177.6781 16 L 3.9757 7.8231 118.4784 58.1102 42.2686 177.8938 17 E 4.0404 8.2906 119.2342 59.4895 29.6139 178.4633 18 Q 4.0186 8.6753 118.0860 59.3927 28.7777 178.7504 19 D 4.6515 8.0602 116.0189 55.2120 41.2787 177.9539 20 L 4.2754 8.1446 121.2811 57.3386 41.9445 178.4444 21 I 3.7805 7.8182 119.1426 64.7275 36.8925 178.3245 22 K 3.8974 8.1141 117.6469 58.7972 32.0601 178.0634 23 A 4.1783 7.8183 120.5698 52.5148 18.8692 178.1708 24 G 3.9523 8.2520 103.6014 44.9856 0.0000 173.7471 25 I 4.3938 7.4748 120.6761 59.8387 37.3097 175.2905 26 K 4.4462 8.5131 124.5288 56.9442 33.7284 176.2799 27 T 4.7122 7.3133 112.8320 59.1272 71.8133 172.0941 28 P 4.2852 0.0000 0.0000 65.3172 31.6028 179.1605 29 V 3.7845 7.7111 117.8402 64.7282 31.3502 178.1037 30 E 3.9376 8.1381 118.8858 59.1310 29.2269 178.9834 31 L 4.0402 7.9829 118.5435 57.4660 42.4103 178.3145 32 K 4.2832 7.9730 117.7158 58.1497 32.1231 178.5182 33 D 4.3937 7.6453 119.0311 57.5573 40.9707 178.3413 34 V 3.5986 7.7593 110.6455 61.8790 31.8257 177.1524 35 G 3.9901 7.5382 110.8773 44.5288 0.0000 174.9979 36 S 4.1511 8.2940 113.2627 61.0749 63.0810 176.3712 37 K 3.4888 7.8798 121.7212 59.4110 31.7591 178.5920 38 E 4.1213 8.1155 118.2267 58.5948 29.5557 178.3957 39 A 3.9863 7.6880 120.9984 55.0975 18.4701 179.2943 40 F 4.1948 8.5526 119.3653 61.4788 39.5560 176.9018 41 L 4.0195 8.3167 119.9733 58.5036 41.0853 179.2468 42 R 4.0595 8.1781 118.1316 58.6499 29.6570 178.4900 43 I 4.1011 7.3186 110.9097 62.1410 38.1872 177.6926 44 W 4.4011 8.0512 131.0319 60.5462 30.2341 177.5908 45 E 3.6858 7.9783 115.4564 59.4022 28.8293 178.4893 46 N 4.6407 7.2203 113.2177 54.1648 39.8595 174.6831 47 D 4.5296 8.8001 121.0399 51.0747 41.4295 175.2430 48 S 3.2823 8.1471 118.8657 59.1751 63.1508 174.8943 49 S 4.8195 7.9337 114.5854 56.9654 62.1507 174.5568 50 V 4.3764 7.4670 118.0371 60.5805 33.9760 176.0657 51 C 4.2791 8.5393 119.6296 59.0755 27.9065 175.3033 *53 S 4.1274 8.6996 115.0685 59.5992 64.7803 175.5801 54 E 4.1614 7.8157 118.6206 58.2805 29.1556 178.7368 55 L 3.7994 7.3366 120.5106 57.6581 42.0070 178.0621 56 Y 3.9712 7.0767 115.9769 60.8965 37.8183 177.8309 57 A 4.2397 7.3236 121.5857 55.5872 18.4522 179.7752 58 L 3.9482 7.5053 115.9122 58.0114 41.6224 179.3485 59 E 4.0960 8.0693 119.0604 59.1396 29.6323 178.9362 60 G 3.7794 9.0333 106.5203 47.7444 0.0000 175.3878 61 A 4.0310 8.1393 122.3613 54.9796 18.5586 179.6509 62 V 3.7420 8.0665 109.5744 63.9912 31.9578 177.3314 63 Q 4.2183 7.3622 115.4860 56.1362 29.5722 176.7746 64 G 4.1250 8.2524 107.6686 44.7394 0.0000 172.6450 65 I 4.6733 7.4404 110.0677 58.5707 41.5015 175.2497 66 R 4.1911 8.3021 120.2610 55.4661 30.4116 178.0223 67 W 4.3493 8.5694 120.3879 59.6339 27.9965 177.5151 68 H 4.2921 7.5798 112.6878 56.9427 28.0477 175.7624 69 G 3.9766 7.7950 108.9654 45.2198 0.0000 173.8530 70 L 4.2270 7.6935 120.4265 53.7247 41.9664 177.5032 71 D 4.5379 8.5119 122.8573 53.3254 41.5096 177.5454 72 E 3.9948 8.8192 119.7122 59.3272 29.4806 179.3653 73 A 3.9344 8.0174 121.5322 55.1708 18.5636 179.3853 74 K 3.9495 8.7764 118.3465 59.4647 32.1222 179.1743 75 K 4.2138 7.8526 118.4364 59.3467 31.9366 179.0812 76 I 3.6662 7.7659 118.7618 63.9140 37.8642 177.6665 77 E 3.9240 8.1997 120.2572 59.1671 29.2972 178.7147 78 L 3.8698 7.9439 118.0581 57.7408 41.9321 178.9102 79 K 3.7763 8.5996 119.8166 59.5973 32.1000 178.2022 80 K 3.7549 8.1403 119.5221 59.9838 32.1146 178.3932 81 F 4.1651 8.2257 120.5736 61.3099 39.0401 176.7437 82 H 3.8510 8.1347 117.5404 59.1381 29.7211 176.9298 83 Q 4.0654 7.8926 118.4260 59.0907 28.6455 178.4947 84 S 4.1189 7.5931 115.2464 60.2678 63.1702 175.4772 85 L 3.1789 6.9867 120.8027 56.2453 41.8010 177.0650 86 E 4.1622 7.7547 121.2165 56.0703 28.9666 176.2041 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 6 L 8.17 4.29 0.00 1.62 2.04 0.97 0.63 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 7 S 8.12 4.55 0.00 4.12 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 8 E 8.83 4.34 0.00 1.99 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 0.00 2.27 2.33 0.00 9 L 7.49 4.59 0.00 1.66 1.61 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.38 0.00 2.25 2.19 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 11 N 8.92 4.47 0.00 3.19 3.35 0.00 0.00 6.83 7.45 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 12 I 7.14 4.27 1.92 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 1.29 0.81 0.95 0.00 0.00 13 G 8.31 3.97 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 0.00 0.00 0.00 14 K 8.51 3.97 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 15 V 7.77 3.61 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 1.11 0.00 0.00 0.95 0.00 0.00 16 L 7.82 3.98 0.00 1.72 1.88 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.29 4.04 0.00 2.12 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 0.00 2.33 2.38 0.00 18 Q 8.68 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 19 D 8.06 4.65 0.00 2.66 2.70 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 20 L 8.14 4.28 0.00 1.96 1.84 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.82 3.78 2.11 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 1.86 0.90 0.92 0.00 0.00 22 K 8.11 3.90 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.44 7.81 23 A 7.82 4.18 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 24 G 8.25 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.47 4.39 1.89 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 1.49 0.55 0.93 0.00 0.00 26 K 8.51 4.45 0.00 1.79 1.90 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.72 7.81 27 T 7.31 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 1.32 0.00 0.00 28 P 0.00 4.29 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 29 V 7.71 3.78 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 30 E 8.14 3.94 0.00 2.26 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 0.00 2.41 2.38 0.00 31 L 7.98 4.04 0.00 1.63 1.88 0.95 0.69 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 32 K 7.97 4.28 0.00 1.97 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.82 7.81 33 D 7.65 4.39 0.00 2.71 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 34 V 7.76 3.60 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 0.69 0.00 0.00 1.01 0.00 0.00 35 G 7.54 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.29 4.15 0.00 4.03 4.10 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 0.00 0.00 0.00 0.00 37 K 7.88 3.49 0.00 1.54 1.34 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.36 1.06 7.81 38 E 8.12 4.12 0.00 2.06 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 2.40 2.42 0.00 39 A 7.69 3.99 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 0.00 0.00 40 F 8.55 4.19 0.00 3.22 3.41 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 41 L 8.32 4.02 0.00 2.11 2.17 1.04 1.20 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 42 R 8.18 4.06 0.00 2.29 2.00 0.00 3.31 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 43 I 7.32 4.10 1.83 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 1.50 0.71 1.02 0.00 0.00 44 W 8.05 4.40 0.00 2.96 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 45 E 7.98 3.69 0.00 2.09 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 0.00 2.37 2.39 0.00 46 N 7.22 4.64 0.00 2.78 2.85 0.00 0.00 6.71 7.94 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 47 D 8.80 4.53 0.00 2.45 2.41 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 48 S 8.15 3.28 0.00 3.29 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.82 0.00 4.02 3.84 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 50 V 7.47 4.38 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 0.53 0.00 0.00 0.97 0.00 0.00 51 C 8.54 4.28 0.00 3.06 2.91 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 *53 S 8.70 4.13 0.00 3.94 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 54 E 7.82 4.16 0.00 2.34 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 2.40 2.54 0.00 55 L 7.34 3.80 0.00 0.27 0.81 0.33 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.08 3.97 0.00 1.89 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 0.00 0.00 0.00 57 A 7.32 4.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.95 0.00 1.81 1.76 1.08 0.85 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 59 E 8.07 4.10 0.00 2.01 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 2.31 2.39 0.00 60 G 9.03 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 61 A 8.14 4.03 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 62 V 8.07 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 0.78 0.00 0.00 1.05 0.00 0.00 63 Q 7.36 4.22 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 64 G 8.25 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 65 I 7.44 4.67 1.84 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 1.31 0.74 0.91 0.00 0.00 66 R 8.30 4.19 0.00 1.66 1.64 0.00 3.12 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 67 W 8.57 4.35 0.00 3.53 3.32 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 68 H 7.58 4.29 0.00 3.05 2.87 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.79 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 70 L 7.69 4.23 0.00 1.75 1.61 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.51 4.54 0.00 2.86 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 72 E 8.82 3.99 0.00 2.22 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 0.00 2.36 2.39 0.00 73 A 8.02 3.93 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 74 K 8.78 3.95 0.00 1.81 1.83 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 75 K 7.85 4.21 0.00 1.89 1.94 0.00 1.62 0.00 0.00 1.12 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.22 1.40 7.81 76 I 7.77 3.67 2.00 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 1.25 1.04 0.00 0.00 77 E 8.20 3.92 0.00 2.09 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 2.26 2.33 0.00 78 L 7.94 3.87 0.00 1.95 1.54 0.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.60 3.78 0.00 1.96 2.00 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 80 K 8.14 3.75 0.00 1.89 2.12 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 81 F 8.23 4.17 0.00 3.10 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 82 H 8.13 3.85 0.00 2.96 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.89 4.07 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 84 S 7.59 4.12 0.00 3.73 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 85 L 6.99 3.18 0.00 1.18 0.70 -0.93 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.75 4.16 0.00 2.52 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 0.00 2.65 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.