NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2664 8.2601 123.5771 52.3347 19.1682 175.8027 3 A 4.4184 7.9548 123.5235 49.3673 22.8060 173.7517 4 P 4.6335 0.0000 0.0000 61.9554 31.2928 176.1832 5 I 3.8240 7.4474 111.7800 63.7141 38.4332 177.3345 6 L 4.6786 7.6320 120.8219 54.0340 41.9745 178.2802 7 K 4.3949 7.6828 120.3136 59.2642 32.2840 177.2877 8 D 4.6409 7.9929 116.3959 54.4008 41.5530 175.9301 9 V 4.0538 7.9190 121.7128 61.9371 33.3197 174.8953 10 V 4.7081 8.9504 128.0733 61.3548 33.1499 173.7571 11 A 5.1721 9.2561 130.7286 50.6479 21.4443 174.7937 12 Y 4.9649 8.8706 122.3651 55.6579 41.6466 174.4562 13 V 4.6828 7.6469 125.7785 61.1907 34.1836 174.9016 14 E 4.5455 9.3840 127.1093 54.5572 32.5987 173.7688 15 V 4.6091 8.8591 124.0596 60.8211 34.1306 174.1293 16 W 5.1631 9.0376 127.8168 54.1579 32.8113 175.8978 17 S 4.4525 8.7808 116.6566 58.6274 63.1067 175.6891 18 S 4.2914 9.1741 117.4014 61.1823 62.7025 175.2459 19 N 4.5033 8.2137 114.4979 52.6188 37.3717 175.3075 20 G 3.8745 8.1220 106.8369 46.8821 0.0000 174.7793 21 T 4.4321 8.1233 110.8059 61.5661 70.0653 174.7159 22 E 4.2399 8.2817 122.1605 54.0175 31.6756 174.1917 23 N 3.2631 7.6914 121.8912 51.7826 39.2009 173.4212 24 Y 4.7334 8.1458 123.3225 58.1678 38.4414 177.9932 25 S 4.2114 8.2416 119.8967 61.4888 62.6373 176.4886 26 K 3.8707 7.9431 121.9212 59.6786 31.9662 178.3798 27 T 3.6757 7.4873 115.3726 67.1344 68.4051 176.4548 28 F 3.9889 7.9823 118.5125 60.2932 38.9473 177.8356 29 T 3.9026 8.2666 116.0202 67.1538 68.2467 176.5488 30 T 3.8285 8.0414 117.5172 66.7641 68.1942 176.7734 31 Q 3.9295 7.7352 118.9758 58.7386 29.1025 178.5182 32 L 4.0850 8.0555 120.0179 57.8911 41.5290 179.6375 33 V 3.9267 7.7061 118.3239 65.2574 31.5140 178.6296 34 D 4.5452 8.1993 119.1235 54.1175 41.4207 177.5470 *36 G 4.0038 8.1770 105.9378 45.5871 0.0000 173.7065 37 A 4.7385 7.9294 122.6670 51.8085 20.0740 176.4257 38 K 4.4661 8.6786 121.1532 55.3549 34.1270 175.6481 39 V 4.9709 8.3390 126.4975 61.1333 33.5938 174.6781 40 S 4.7665 9.0280 123.6486 57.2997 63.8467 175.0630 41 K 4.2907 8.9883 121.8663 58.5001 32.3311 177.1517 42 T 4.7981 7.7620 107.2039 59.6919 71.4127 174.1718 43 F 4.2884 8.0757 126.0813 56.7839 37.8775 174.5666 44 N 4.8889 7.8868 123.7995 50.3877 39.8966 176.5749 45 K 4.1066 8.4093 116.3538 59.1249 32.2527 178.4689 46 Q 4.0927 8.0821 119.3979 58.1933 29.2271 176.6182 47 V 3.9205 7.6830 118.3315 63.4349 31.9657 175.3180 48 T 4.5875 9.1738 116.7523 62.2943 71.2321 173.9002 49 H 5.1099 8.0607 118.8605 53.9051 33.4218 172.2268 50 V 4.7118 8.9784 123.0595 61.2237 33.8988 174.2219 51 I 4.8103 8.5041 129.5736 60.1134 38.5433 174.5639 52 F 5.2651 9.0979 129.8441 56.1807 42.1049 174.3371 53 K 4.2507 8.5568 127.4451 55.2312 35.5158 175.5352 54 D 4.4314 8.6010 128.5805 55.1190 38.7593 174.5259 55 G 3.5724 5.7037 108.3235 44.7387 0.0000 173.9383 56 Y 4.1849 9.1021 117.5260 57.5904 39.6567 176.5261 57 Q 4.1913 9.0128 124.7576 59.6086 29.1368 178.9973 58 S 4.2198 8.4083 114.6716 61.9651 62.8225 176.6903 59 T 4.2186 8.1630 118.7080 66.1633 68.4562 176.3177 60 W 3.7737 8.5003 130.2974 60.5798 30.7208 177.7883 61 D 4.3639 8.5384 118.8661 57.1487 40.2159 178.6838 62 K 3.7677 8.2909 119.9446 59.4562 31.9813 178.5396 63 A 4.2016 8.6272 121.4277 55.4197 18.1222 179.7500 64 Q 3.7078 7.8190 116.2469 59.0960 28.6414 179.1238 65 K 4.0251 8.3039 118.0930 58.7422 32.1294 178.7782 66 R 4.3149 8.0589 116.6136 55.5003 30.4021 177.0643 67 G 3.7934 7.6118 106.3592 46.2055 0.0000 174.2592 68 V 3.9508 7.1358 112.4916 60.2654 32.9904 176.1208 69 K 3.9501 8.5896 122.1657 56.2149 32.9012 176.1640 70 L 4.9338 8.3711 127.3532 53.5163 43.9887 175.2286 71 V 4.8539 8.6961 120.0086 59.2691 36.0745 175.7943 72 S 4.8997 8.8555 117.7134 57.7843 64.6310 175.7306 73 V 3.5408 8.4489 113.0678 64.3946 30.9763 178.7538 74 L 4.1442 7.8372 118.1160 57.0893 41.3001 179.2710 75 W 2.8043 8.1098 128.7476 59.8482 30.7161 178.1312 76 V 3.1661 7.7010 117.6828 65.9105 31.0590 177.3725 77 E 3.8748 7.9730 118.7312 59.1921 29.4059 178.7296 78 K 3.8604 8.0581 119.9607 59.5509 32.3404 178.5030 79 C 4.2031 7.4810 118.5074 62.0131 27.6722 176.2116 80 R 3.7285 7.2959 118.8484 59.7245 29.8781 178.5363 81 T 3.9608 7.9995 108.2179 64.3090 68.8839 175.7658 82 A 4.2590 8.1713 122.5498 51.6798 19.2273 177.1228 83 G 3.8814 7.7356 104.7122 45.9070 0.0000 172.9796 84 A 4.4981 7.2810 118.6357 50.4690 22.3968 176.0867 85 H 4.5714 8.5549 119.8762 55.1344 29.0070 175.1662 86 I 4.1079 7.9245 127.6578 60.4248 38.1619 175.8857 87 D 4.5523 8.8603 123.3274 54.6422 41.5332 177.1719 88 E 4.0702 9.0101 126.6444 58.8189 29.2558 179.0085 89 S 4.2606 8.5345 113.8871 60.5654 63.2279 175.5572 90 L 4.1748 7.7785 120.7032 55.3014 42.8622 176.4341 91 F 4.8901 8.2016 117.9181 55.5641 39.6392 173.0148 92 P 4.8007 0.0000 0.0000 62.7948 32.1728 177.8930 93 A 4.5673 8.3793 124.0597 52.1936 19.2407 176.5468 94 A 4.8914 8.7706 120.7399 50.7859 21.8656 176.2043 95 N 4.4180 7.6128 116.1450 52.7005 41.4950 174.9945 *97 N 4.4911 8.6666 116.5033 52.6187 40.2551 174.3090 98 E 3.9742 7.8183 122.5058 56.5854 29.4754 176.6861 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 A 8.26 4.27 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 3 A 7.95 4.42 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 4 P 0.00 4.63 0.00 2.23 2.22 0.00 3.69 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 2.06 1.94 0.00 5 I 7.45 3.82 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.95 0.00 0.00 6 L 7.63 4.68 0.00 1.65 1.65 0.58 0.81 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 7 K 7.68 4.39 0.00 1.90 2.13 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.41 7.81 8 D 7.99 4.64 0.00 2.77 2.81 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 9 V 7.92 4.05 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 0.86 0.00 0.00 0.97 0.00 0.00 10 V 8.95 4.71 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 0.79 0.00 0.00 0.98 0.00 0.00 11 A 9.26 5.17 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 12 Y 8.87 4.96 0.00 2.90 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 13 V 7.65 4.68 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 0.96 0.00 0.00 0.94 0.00 0.00 14 E 9.38 4.55 0.00 1.98 1.96 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 2.40 2.11 0.00 15 V 8.86 4.61 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 0.80 0.00 0.00 0.67 0.00 0.00 16 W 9.04 5.16 0.00 3.19 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 17 S 8.78 4.45 0.00 3.99 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 18 S 9.17 4.29 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 19 N 8.21 4.50 0.00 2.81 2.93 0.00 0.00 6.01 7.00 0.00 0.00 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 G 8.12 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 21 T 8.12 4.43 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 1.30 0.00 0.00 22 E 8.28 4.24 0.00 1.23 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 2.17 2.37 0.00 23 N 7.69 3.26 0.00 1.44 1.89 0.00 0.00 7.09 7.54 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 24 Y 8.15 4.73 0.00 3.15 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 25 S 8.24 4.21 0.00 3.76 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 26 K 7.94 3.87 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 27 T 7.49 3.68 4.09 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 0.34 0.00 0.00 28 F 7.98 3.99 0.00 3.20 3.14 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 0.00 0.00 0.00 29 T 8.27 3.90 4.48 0.00 0.00 0.00 0.00 0.00 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 30 T 8.04 3.83 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 1.19 0.00 0.00 31 Q 7.74 3.93 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 32 L 8.06 4.08 0.00 1.88 1.75 1.04 0.81 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 33 V 7.71 3.93 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 0.96 0.00 0.00 1.01 0.00 0.00 34 D 8.20 4.55 0.00 2.82 2.64 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 0.00 0.00 0.00 0.00 *36 G 8.18 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 37 A 7.93 4.74 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 38 K 8.68 4.47 0.00 1.90 1.71 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 39 V 8.34 4.97 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 0.93 0.00 0.00 0.96 0.00 0.00 40 S 9.03 4.77 0.00 3.99 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 41 K 8.99 4.29 0.00 1.85 2.01 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 42 T 7.76 4.80 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 1.28 0.00 0.00 43 F 8.08 4.29 0.00 1.51 2.47 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 44 N 7.89 4.89 0.00 2.99 2.98 0.00 0.00 6.14 6.48 0.00 0.00 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 K 8.41 4.11 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.34 7.81 46 Q 8.08 4.09 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 47 V 7.68 3.92 2.44 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 0.75 0.00 0.00 1.10 0.00 0.00 48 T 9.17 4.59 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 1.27 0.00 0.00 49 H 8.06 5.11 0.00 3.05 3.04 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.98 4.71 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 1.20 0.00 0.00 0.39 0.00 0.00 51 I 8.50 4.81 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.88 0.00 0.00 52 F 9.10 5.27 0.00 3.14 3.06 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 8.56 4.25 0.00 1.75 1.51 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.42 7.81 54 D 8.60 4.43 0.00 2.98 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 55 G 5.70 3.57 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 0.00 56 Y 9.10 4.18 0.00 3.16 2.99 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 57 Q 9.01 4.19 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 58 S 8.41 4.22 0.00 4.12 4.18 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 59 T 8.16 4.22 5.08 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 1.84 0.00 0.00 60 W 8.50 3.77 0.00 2.97 3.20 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 61 D 8.54 4.36 0.00 2.80 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 62 K 8.29 3.77 0.00 1.74 1.90 0.00 1.21 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.39 1.02 7.81 63 A 8.63 4.20 1.30 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 0.00 0.00 0.00 64 Q 7.82 3.71 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 65 K 8.30 4.03 0.00 1.66 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 66 R 8.06 4.31 0.00 1.87 1.96 0.00 2.96 0.00 0.00 2.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 67 G 7.61 3.79 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 0.00 0.00 0.00 68 V 7.14 3.95 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 0.84 0.00 0.00 0.99 0.00 0.00 69 K 8.59 3.95 0.00 1.10 1.34 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.14 7.81 70 L 8.37 4.93 0.00 1.46 1.24 0.75 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.70 4.85 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 0.17 0.00 0.00 0.72 0.00 0.00 72 S 8.86 4.90 0.00 4.06 4.18 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 73 V 8.45 3.54 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.84 0.00 0.00 74 L 7.84 4.14 0.00 2.08 2.06 1.07 0.84 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 75 W 8.11 2.80 0.00 3.31 3.31 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 76 V 7.70 3.17 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 1.09 0.00 0.00 1.16 0.00 0.00 77 E 7.97 3.87 0.00 2.16 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 2.28 2.31 0.00 78 K 8.06 3.86 0.00 1.83 1.22 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.49 7.81 79 C 7.48 4.20 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.30 3.73 0.00 1.70 2.02 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 81 T 8.00 3.96 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 1.21 0.00 0.00 82 A 8.17 4.26 1.30 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 0.00 0.00 0.00 83 G 7.74 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 0.00 0.00 0.00 84 A 7.28 4.50 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 85 H 8.55 4.57 0.00 3.29 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.92 4.11 1.77 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 1.36 0.69 1.22 0.00 0.00 87 D 8.86 4.55 0.00 2.79 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 88 E 9.01 4.07 0.00 1.96 1.67 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 1.77 1.57 0.00 89 S 8.53 4.26 0.00 4.00 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 90 L 7.78 4.17 0.00 1.83 1.42 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.20 4.89 0.00 3.21 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 92 P 0.00 4.80 0.00 2.14 2.07 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 93 A 8.38 4.57 1.62 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 0.00 0.00 94 A 8.77 4.89 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 95 N 7.61 4.42 0.00 1.44 1.42 0.00 0.00 7.00 6.71 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 *97 N 8.67 4.49 0.00 2.78 2.79 0.00 0.00 6.79 7.66 0.00 0.00 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 E 7.82 3.97 0.00 2.11 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 2.33 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.