NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2898 8.3193 115.3635 57.6467 63.9466 174.9146 2 F 3.5840 8.8753 116.8262 54.6146 39.8502 174.5067 3 A 3.9135 9.9712 119.7634 52.6416 17.0026 178.1656 4 G 3.8486 7.4707 102.9694 47.9613 0.0000 174.2806 *6 L 4.5582 7.6553 116.4790 54.1681 43.0338 177.2988 7 K 4.3832 8.0939 120.1145 55.6181 34.4780 178.0527 8 D 4.3558 8.7011 122.6978 57.5969 40.8091 179.1054 9 A 4.0639 7.9280 120.6041 54.8623 18.3803 179.0583 10 D 4.3305 7.8795 117.0838 56.9159 41.0057 178.9526 11 V 3.4290 7.9823 119.0090 65.7444 31.5449 177.9558 12 A 3.9695 8.1304 120.3608 55.2282 18.2610 179.5364 13 A 3.9893 8.0395 118.9671 54.9292 18.1911 179.7358 14 A 3.8538 7.9294 119.1152 55.0850 18.2036 179.5488 15 L 4.2624 8.3102 117.6735 57.8033 41.5440 179.4752 16 A 4.0294 8.1869 120.7473 55.0750 18.0933 179.5053 17 A 4.1419 8.0415 118.5449 53.9114 17.6620 177.7142 18 C 5.3219 7.9648 112.0903 57.0271 30.1855 176.6017 19 S 4.2849 7.9176 117.6079 61.7360 63.2002 174.4948 20 A 4.2037 7.4654 121.4993 50.9781 18.9177 176.6333 21 A 4.1905 8.4799 124.8738 53.7832 18.9247 177.0792 22 D 4.5702 8.8421 119.6327 55.3374 38.8180 174.7029 23 S 4.5580 8.1330 113.0950 58.1713 63.7552 173.6868 24 F 4.5914 8.4104 124.7836 57.9572 39.8277 175.1520 25 K 4.1279 7.6546 126.1750 53.8152 35.3921 176.8702 26 H 2.9076 7.8888 121.2141 58.2852 28.1749 177.6923 27 K 4.0929 7.1664 120.5152 59.0220 31.8872 178.8093 28 E 3.8290 7.7057 119.3321 59.0478 29.6762 178.3950 29 F 3.8173 8.1281 121.1734 61.2350 39.3889 177.1793 30 F 4.6630 8.3941 117.6327 60.2751 38.4629 177.6633 31 A 3.9911 7.9810 120.4898 54.9669 18.0688 179.7192 32 K 3.7819 8.0234 116.3231 59.5863 32.2927 179.7833 33 V 3.5226 7.4800 117.4042 62.9758 31.2216 176.9872 34 G 3.9850 7.8693 108.4948 45.1272 0.0000 174.8764 35 L 4.0964 7.9893 121.2613 56.9816 42.6605 178.3059 36 A 3.9454 8.0801 121.2713 54.4011 18.2870 178.0130 37 S 4.5950 7.3232 108.0203 57.9888 63.6120 174.5308 38 K 4.3179 7.8917 121.6579 55.8075 32.7100 177.3195 39 S 4.3743 8.2913 115.1007 58.1591 65.0374 174.8496 40 L 4.0148 8.5641 124.2209 58.6253 41.7084 179.1873 41 D 4.4646 8.0789 118.4780 57.3131 40.8934 178.1267 42 D 4.5345 7.9190 118.9825 56.9832 40.8600 178.7862 43 V 3.8260 8.3181 119.4631 66.1908 31.4985 178.3160 44 K 4.0857 8.3899 118.1315 59.2810 31.9301 179.4683 45 K 4.1551 8.2356 118.6321 59.4181 32.0086 179.1295 46 A 4.1595 8.4073 120.9558 55.3160 18.3574 179.1163 47 F 3.1600 8.3162 119.1416 61.7042 39.0412 176.8318 48 Y 4.0706 7.7605 113.8891 59.8962 37.7974 177.8445 49 V 3.4490 7.1621 119.1523 65.8886 31.6266 177.8640 50 I 3.7803 7.1796 118.1575 62.9641 38.0051 177.0001 51 D 4.5242 7.5333 120.3746 53.4935 38.7483 176.2781 52 Q 3.8897 8.1136 123.3979 57.8515 29.3262 176.9158 53 D 4.5705 8.4195 115.0786 52.6001 39.6837 176.5557 54 K 4.0338 7.8721 117.7048 57.7292 29.8038 177.2877 55 S 4.1690 8.2944 115.4836 59.8401 63.0721 175.3657 56 G 3.9589 9.1390 109.3727 44.9759 0.0000 172.7457 57 F 5.2327 7.6266 116.4474 55.6161 43.3095 175.2465 58 I 4.4025 8.8059 122.5328 59.3651 37.5195 175.6397 59 E 4.3444 8.7296 126.9561 55.7695 30.5278 178.0560 60 E 3.8364 8.8676 122.1328 59.4926 29.4555 178.8842 61 D 4.3395 7.9705 117.9716 56.3556 39.5985 177.9720 62 E 4.0660 8.0358 119.7259 58.9868 29.5530 178.7160 63 L 3.8468 8.0410 120.8312 57.7682 42.0298 178.7107 64 K 3.9407 8.2675 119.7550 58.7385 31.9245 177.6052 65 L 4.6035 7.3665 117.1312 54.3553 41.8409 177.5733 66 F 4.2957 7.9617 124.3301 61.9581 39.1587 177.3205 67 L 4.1488 7.8728 116.8782 56.8651 40.0495 178.2181 68 Q 4.6586 7.9612 116.9655 56.9097 28.5017 177.1869 69 N 4.3335 7.8335 117.4730 54.7681 38.9702 175.9320 70 F 4.5705 7.9833 115.8698 58.4353 40.5422 176.4120 71 S 4.6175 7.6574 113.6235 56.4619 65.4593 173.3553 72 P 4.2386 0.0000 0.0000 65.0900 31.2754 177.1607 73 S 4.5965 7.5509 109.5082 57.6684 63.1540 174.2368 74 A 4.1952 7.7765 124.2865 52.2134 18.6401 178.3054 75 R 4.1496 8.2073 116.0959 55.4978 30.4846 176.4194 76 A 4.3486 8.1476 120.6660 51.8455 19.1889 177.4576 77 L 4.3544 8.5461 120.6005 54.6778 42.7355 177.4495 78 T 4.2042 9.3949 113.0851 61.2270 70.2383 175.2148 79 D 4.4829 8.8692 120.9306 57.3946 40.6737 179.1311 80 A 4.0132 7.9158 120.7745 55.2536 18.5688 179.3072 81 E 4.0601 8.2359 117.1676 59.9035 29.4666 179.7686 82 T 3.9402 8.4508 116.0915 66.6707 68.5346 176.8653 83 K 4.0001 8.2802 120.1101 59.2630 31.9370 179.2188 84 A 4.0272 8.0340 120.9701 55.2244 18.2890 179.4355 85 F 4.0304 8.3150 119.0775 61.4696 39.4977 176.9800 86 L 3.9107 8.4720 120.1493 58.1943 41.6346 178.7080 87 A 4.3206 7.9723 119.4995 54.4376 18.4605 178.5070 88 D 4.6180 7.8815 116.3437 56.8180 41.5408 178.2717 89 G 3.9677 8.4862 105.8924 46.1731 0.0000 174.4136 90 D 4.9404 8.3678 122.6145 52.8997 38.4336 176.7270 91 K 4.0825 8.1669 122.3391 58.4917 32.8394 177.8141 92 D 4.5463 8.7038 116.7583 53.0081 39.5985 177.1014 93 G 3.8772 7.9608 107.7820 46.4663 0.0000 173.9837 94 D 4.5097 8.1426 115.7907 52.7721 39.6596 177.4347 95 G 3.9192 11.0403 109.4301 45.5773 0.0000 172.6736 96 M 4.8492 7.8087 115.2069 54.2049 34.9975 174.0507 97 I 4.6377 8.9946 121.0340 60.0980 39.0608 176.1892 98 G 4.4755 9.1808 115.1590 44.8123 0.0000 175.0500 99 V 2.0422 7.7413 119.9046 64.1642 31.1797 178.3547 100 D 4.2845 7.7946 119.3368 56.9997 40.7866 178.3242 101 E 4.0243 8.0958 117.7796 59.1851 29.6237 178.8551 102 F 4.1014 8.3930 121.4518 61.1127 39.4476 176.9030 103 A 3.8432 8.0856 120.1884 55.0937 17.9940 179.4989 104 A 3.8604 8.0093 119.2468 55.4014 18.2330 179.4642 105 M 3.9426 7.8437 115.7045 58.9603 32.3674 178.2750 106 I 3.6262 7.2033 118.7883 63.5875 37.3098 177.5863 107 K 4.2955 7.7940 116.2200 56.3923 32.2049 177.2477 108 A 4.2959 7.5148 127.3254 52.3728 18.6664 177.3220 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 1 S 8.32 4.29 0.00 4.02 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 2 F 8.88 3.58 0.00 3.40 3.27 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 3 A 9.97 3.91 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.47 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 L 7.66 4.56 0.00 1.66 1.63 1.10 1.09 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 7 K 8.09 4.38 0.00 1.95 1.70 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 8 D 8.70 4.36 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 9 A 7.93 4.06 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 10 D 7.88 4.33 0.00 2.76 2.85 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 0.00 0.00 0.00 0.00 11 V 7.98 3.43 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 1.26 0.00 0.00 1.02 0.00 0.00 12 A 8.13 3.97 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 13 A 8.04 3.99 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 14 A 7.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.31 4.26 0.00 1.91 1.80 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.19 4.03 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 17 A 8.04 4.14 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 18 C 7.96 5.32 0.00 3.31 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 19 S 7.92 4.28 0.00 3.98 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 20 A 7.47 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 21 A 8.48 4.19 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 22 D 8.84 4.57 0.00 2.87 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 23 S 8.13 4.56 0.00 4.02 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 24 F 8.41 4.59 0.00 2.94 3.08 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 25 K 7.65 4.13 0.00 1.40 1.35 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.39 7.81 26 H 7.89 2.91 0.00 1.97 2.13 0.00 5.46 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 27 K 7.17 4.09 0.00 1.59 1.82 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.20 1.34 7.81 28 E 7.71 3.83 0.00 1.84 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 2.28 2.26 0.00 29 F 8.13 3.82 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 30 F 8.39 4.66 0.00 3.23 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 31 A 7.98 3.99 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 32 K 8.02 3.78 0.00 1.46 1.66 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.47 7.81 33 V 7.48 3.52 1.71 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 0.85 0.00 0.00 0.62 0.00 0.00 34 G 7.87 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 35 L 7.99 4.10 0.00 2.03 1.97 1.13 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.08 3.95 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 37 S 7.32 4.60 0.00 3.86 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 38 K 7.89 4.32 0.00 1.94 1.86 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.75 1.60 7.81 39 S 8.29 4.37 0.00 4.07 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 40 L 8.56 4.01 0.00 1.79 1.75 0.93 1.19 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 41 D 8.08 4.46 0.00 2.85 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 42 D 7.92 4.53 0.00 2.90 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 43 V 8.32 3.83 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 1.14 0.00 0.00 1.02 0.00 0.00 44 K 8.39 4.09 0.00 2.21 2.03 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.68 7.81 45 K 8.24 4.16 0.00 2.21 2.05 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.79 7.81 46 A 8.41 4.16 1.87 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 47 F 8.32 3.16 0.00 2.71 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 48 Y 7.76 4.07 0.00 3.01 2.85 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 0.00 0.00 0.00 0.00 49 V 7.16 3.45 1.19 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 -0.19 0.00 0.00 0.54 0.00 0.00 50 I 7.18 3.78 1.64 0.00 0.00 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 1.40 0.53 0.94 0.00 0.00 51 D 7.53 4.52 0.00 2.01 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 52 Q 8.11 3.89 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 53 D 8.42 4.57 0.00 2.74 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 54 K 7.87 4.03 0.00 1.87 1.93 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.45 7.81 55 S 8.29 4.17 0.00 4.19 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 56 G 9.14 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 57 F 7.63 5.23 0.00 3.26 2.98 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 58 I 8.81 4.40 1.82 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.66 0.76 0.00 0.00 59 E 8.73 4.34 0.00 2.06 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 2.40 2.37 0.00 60 E 8.87 3.84 0.00 2.00 1.92 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 2.35 2.34 0.00 61 D 7.97 4.34 0.00 2.84 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 62 E 8.04 4.07 0.00 2.10 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 0.00 2.33 2.31 0.00 63 L 8.04 3.85 0.00 1.68 1.67 -0.22 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.27 3.94 0.00 1.84 1.92 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.62 7.81 65 L 7.37 4.60 0.00 1.68 1.61 0.90 1.30 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 66 F 7.96 4.30 0.00 3.12 3.01 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 67 L 7.87 4.15 0.00 1.83 1.68 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.96 4.66 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 69 N 7.83 4.33 0.00 2.10 2.35 0.00 0.00 6.84 8.60 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 70 F 7.98 4.57 0.00 3.33 3.24 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 71 S 7.66 4.62 0.00 3.94 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 72 P 0.00 4.24 0.00 2.09 2.11 0.00 3.75 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 2.04 2.09 0.00 73 S 7.55 4.60 0.00 4.02 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 74 A 7.78 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 75 R 8.21 4.15 0.00 1.93 1.95 0.00 3.04 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 76 A 8.15 4.35 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 77 L 8.55 4.35 0.00 1.48 1.56 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.39 4.20 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 1.29 0.00 0.00 79 D 8.87 4.48 0.00 2.79 2.78 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 80 A 7.92 4.01 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 81 E 8.24 4.06 0.00 2.35 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 2.65 2.44 0.00 82 T 8.45 3.94 4.46 0.00 0.00 0.00 0.00 0.00 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 83 K 8.28 4.00 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 84 A 8.03 4.03 1.48 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 0.00 0.00 0.00 85 F 8.31 4.03 0.00 3.35 3.07 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 0.00 0.00 0.00 0.00 86 L 8.47 3.91 0.00 1.84 1.81 0.96 1.09 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 87 A 7.97 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.62 0.00 2.82 2.90 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 89 G 8.49 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 90 D 8.37 4.94 0.00 2.80 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 91 K 8.17 4.08 0.00 1.94 1.88 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.39 7.81 92 D 8.70 4.55 0.00 2.77 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 93 G 7.96 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 94 D 8.14 4.51 0.00 2.74 2.71 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 95 G 11.04 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 0.00 0.00 0.00 96 M 7.81 4.85 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.40 0.00 97 I 8.99 4.64 2.07 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 1.26 0.73 1.33 0.00 0.00 98 G 9.18 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 0.00 0.00 0.00 0.00 99 V 7.74 2.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.28 0.00 0.00 100 D 7.79 4.28 0.00 2.75 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 0.00 101 E 8.10 4.02 0.00 2.34 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 2.55 2.55 0.00 102 F 8.39 4.10 0.00 3.25 3.12 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 0.00 103 A 8.09 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 0.00 104 A 8.01 3.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.84 3.94 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 106 I 7.20 3.63 1.60 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.36 0.65 0.00 0.00 107 K 7.79 4.30 0.00 1.66 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.70 7.81 108 A 7.51 4.30 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 * Residues marked with a * may have inaccurate shift predictions.