NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 M 4.2874 8.2931 118.1916 54.7170 32.5930 174.3648 -7 G 3.6816 8.7974 106.2551 45.8801 0.0000 171.5861 -6 H 4.4099 9.4703 126.7590 58.6931 31.4357 172.9910 -5 H 5.0796 7.6634 112.7899 56.4070 36.3508 172.8974 -4 H 4.5105 7.5804 118.7056 56.2512 35.7691 173.7665 -3 H 5.1331 8.1938 115.7078 54.6003 32.6233 172.3702 -2 H 5.0295 8.8871 115.0404 57.1125 33.4782 172.8374 -1 H 4.5967 7.7336 115.8182 56.5363 31.4975 172.5452 0 M 4.8917 7.2759 117.0375 53.7819 34.3237 174.0141 1 G 3.9623 8.1299 115.5729 45.6559 0.0000 175.8766 2 S 3.9993 7.9718 114.9913 60.8671 62.6368 176.0453 3 A 4.1698 8.0644 123.0315 54.9058 16.8365 179.5164 4 G 3.6326 8.2143 104.3075 47.9449 0.0000 175.5994 5 T 4.2775 7.4529 111.5392 64.3131 69.3048 176.9557 6 Q 4.0461 7.9481 122.2932 58.7496 29.0068 178.1182 7 E 4.0063 8.4535 120.2182 59.4211 29.6560 179.1740 8 E 4.1195 7.7375 115.1112 59.1463 29.6670 179.2771 9 L 4.0712 7.9472 119.8303 57.8086 41.8658 179.3421 10 L 4.1964 8.6633 119.2305 57.8172 41.5871 179.9034 11 R 3.9869 8.1972 118.1771 59.0762 30.0704 178.9345 12 W 4.1055 8.2565 127.7607 60.3856 30.6492 177.6721 13 C 4.2441 8.6967 119.1588 62.5198 30.8809 175.5486 14 Q 3.9253 7.9552 118.0925 59.1572 28.4783 177.9102 15 E 3.9456 7.9052 120.6998 59.2145 29.4913 178.8976 16 Q 3.7354 7.3298 116.7423 58.6329 28.6867 177.8246 17 T 4.4653 7.5340 113.8894 62.3734 68.8001 174.3728 18 A 4.2345 7.3336 125.6915 50.7135 19.0789 176.9497 19 G 3.5374 8.6013 118.8768 46.0084 0.0000 173.2233 20 Y 4.1472 7.6985 120.3876 56.8422 38.7314 174.8914 21 P 4.7559 0.0000 0.0000 60.8783 30.1195 176.5845 22 G 4.9910 6.7670 115.6513 47.0390 0.0000 171.7735 23 V 4.2468 7.5095 119.3374 60.9989 34.1378 173.6315 24 H 4.6965 8.8270 124.3120 54.0072 30.3664 174.5625 25 V 4.1970 8.0518 124.1737 61.2297 31.4179 175.0177 26 S 4.7450 8.1871 119.0118 58.2653 65.0831 173.7627 27 D 4.9346 8.0830 118.9622 52.8215 44.3344 175.2830 28 L 4.9395 8.4014 124.1154 54.8968 42.2284 176.5545 29 S 4.7864 7.5181 116.0432 57.9748 70.0800 177.5880 30 S 4.2202 8.1541 115.5386 62.1088 62.7827 176.7988 31 S 4.3324 8.3745 117.9917 60.4232 62.5797 175.5072 32 W 4.7793 8.2910 119.3343 56.3326 28.9770 177.5574 33 A 4.1010 8.3802 122.4695 55.3048 17.9728 178.4865 34 D 4.5057 7.9172 113.2880 53.1764 40.2399 176.5180 35 G 3.9682 8.0314 107.9285 47.4999 0.0000 176.5870 36 L 3.7695 8.0386 121.1537 57.2030 41.7211 178.8235 37 A 3.4215 6.9934 119.2316 54.7959 18.0752 179.4978 38 L 4.0414 7.5860 118.2523 58.5782 42.3485 178.7729 39 C 4.1976 8.1350 116.4726 62.7412 28.1351 175.8358 40 A 3.7526 8.1232 123.9730 54.3369 17.9118 179.7828 41 L 3.8251 7.6168 116.8019 57.8989 41.7609 179.7495 42 V 3.5912 7.7017 118.0992 66.3315 31.1311 177.3059 43 Y 4.3141 8.5546 119.5877 60.8422 38.3537 178.1163 44 R 3.7070 7.6672 118.2966 59.2263 30.1992 178.2432 45 L 4.1239 7.3531 117.4811 56.2911 43.2352 177.5033 46 Q 4.5119 8.3065 118.4166 52.9469 29.0571 173.9452 47 P 3.4855 0.0000 0.0000 64.1987 31.8394 178.4989 48 G 4.0387 7.8926 105.3209 45.6656 0.0000 173.4735 49 L 4.9740 7.8727 118.9466 54.0597 43.2092 175.9733 50 L 5.2080 8.0831 116.3891 54.0469 46.6564 176.6274 51 E 4.6665 8.4828 117.5924 53.5078 30.9949 174.1821 52 P 4.0944 0.0000 0.0000 66.3553 31.5319 178.7377 53 S 4.1902 7.7708 113.4925 60.7466 62.3725 176.2137 54 E 3.9102 7.6790 121.4710 59.1574 29.3678 178.1884 55 L 4.1067 7.4353 116.8932 55.8006 41.6704 178.6978 56 Q 4.0334 8.2642 120.4874 58.3285 29.0367 176.8381 57 G 3.9905 7.7166 105.9669 45.8362 0.0000 173.8659 58 L 3.9755 7.4049 118.9301 55.6289 42.1298 177.8841 59 G 4.3021 6.6990 110.6078 44.5573 0.0000 173.2023 60 A 3.9842 7.9886 122.9344 55.0728 18.7842 180.2147 61 L 3.9742 7.8941 116.8646 58.1289 41.7519 179.6408 62 E 4.0827 8.1822 117.7791 59.2066 29.4717 179.0337 63 A 4.0896 7.9534 120.4380 55.4229 18.4717 179.9058 64 T 3.9234 8.2759 114.0910 66.8283 68.5994 176.9239 65 A 4.0676 8.1448 122.6694 54.8405 18.3329 179.5356 66 W 3.9116 8.8302 126.9837 60.6695 30.9091 178.1417 67 A 4.2845 8.7503 121.2512 55.2700 17.9714 179.6337 68 L 4.1995 8.6683 117.9586 57.8415 41.6940 179.9742 69 K 3.9533 8.2210 118.4503 59.6213 31.9565 179.9769 70 V 3.3831 7.7323 112.7330 64.0707 31.3539 178.3457 71 A 4.0948 8.4940 120.9501 55.4353 18.2594 179.3830 72 E 4.2811 8.1054 118.6103 58.8999 29.4735 178.8178 73 N 4.3468 7.8930 115.8929 56.2006 38.6935 176.9661 74 E 4.1619 8.9205 120.1224 58.6737 29.8348 178.1099 75 L 4.4782 8.2713 118.9852 56.1689 42.8294 177.4410 76 G 4.5101 8.1186 104.9160 46.2250 0.0000 172.6125 77 I 4.0586 7.6448 120.9793 59.5109 37.6978 175.3782 78 T 4.8305 8.1990 122.5230 61.8882 69.0306 173.0501 79 P 4.2442 0.0000 0.0000 63.1216 31.9033 176.1485 80 V 4.1653 7.5683 119.0618 62.8761 33.4781 175.6371 81 V 4.3983 6.8689 116.6663 59.8772 34.9117 175.0937 82 S 4.3316 8.2312 117.1061 57.6312 64.3422 174.9105 83 A 4.0094 8.4335 128.1508 55.4148 18.2285 180.0328 84 Q 3.9478 8.1516 115.8198 59.2552 28.8321 179.0865 85 A 3.9854 7.8937 121.1215 54.9195 18.6005 179.7013 86 V 3.4432 7.8043 116.7655 66.3022 31.4832 178.5409 87 V 3.6843 8.0507 116.6834 65.7011 31.4466 177.1704 88 A 4.3207 8.0714 118.8005 51.7922 18.7045 177.4308 89 G 3.9336 7.6770 104.9888 46.7658 0.0000 174.1542 90 S 4.8246 7.8041 111.7632 57.3106 64.0985 175.1082 91 D 4.7772 7.4970 117.2723 53.0369 43.2344 174.2904 92 P 4.1805 0.0000 0.0000 65.9391 31.9197 178.7720 93 L 4.0935 7.9108 118.5735 57.2398 41.5617 179.5884 94 G 3.5392 7.8843 105.3347 47.4133 0.0000 175.5157 95 L 3.7466 8.1137 123.3849 57.7268 42.1983 179.1571 96 I 3.7133 7.8070 112.9202 63.8999 37.4154 178.0144 97 A 3.9596 7.8403 122.1949 54.9690 18.3337 178.9361 98 Y 4.1824 8.0772 117.9640 61.0024 38.8351 178.2661 99 L 4.3177 7.9652 119.4178 58.0963 41.6285 179.7727 100 S 3.9521 7.8749 114.7345 61.6219 62.7746 176.1795 101 H 3.9985 7.6842 121.0969 59.2668 29.7038 177.4442 102 F 3.7123 7.5984 119.1486 60.3930 38.5919 177.2785 103 H 3.6039 7.9988 118.0712 59.1036 29.4346 177.3822 104 S 3.5125 8.0883 115.0469 61.0597 62.1822 175.9866 105 A 3.9389 7.5304 123.5866 54.8095 17.8543 179.3657 106 F 4.7103 7.3096 114.7994 60.0435 39.4321 177.8934 107 K 4.1684 8.8028 119.5653 58.8350 31.9235 177.4122 108 S 4.4773 7.6342 112.4850 59.6412 64.5685 173.7722 109 M 3.6003 7.9663 124.3792 56.1284 33.5949 176.2440 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 M 8.29 4.29 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 -7 G 8.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.47 4.41 0.00 3.00 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 7.66 5.08 0.00 3.17 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.58 4.51 0.00 3.12 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.19 5.13 0.00 3.10 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.89 5.03 0.00 3.25 3.37 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.73 4.60 0.00 2.81 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 7.28 4.89 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 1 G 8.13 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 2 S 7.97 4.00 0.00 3.95 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 3 A 8.06 4.17 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 4 G 8.21 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.45 4.28 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 6 Q 7.95 4.05 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 7 E 8.45 4.01 0.00 2.16 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 0.00 2.37 2.47 0.00 8 E 7.74 4.12 0.00 2.21 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 2.31 2.56 0.00 9 L 7.95 4.07 0.00 1.98 1.86 0.97 0.50 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 10 L 8.66 4.20 0.00 1.86 1.81 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.20 3.99 0.00 2.15 2.06 0.00 3.32 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 12 W 8.26 4.11 0.00 3.50 3.34 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 13 C 8.70 4.24 0.00 3.53 3.22 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 0.00 14 Q 7.96 3.93 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 15 E 7.91 3.95 0.00 2.15 1.69 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 2.20 2.27 0.00 16 Q 7.33 3.74 0.00 1.41 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.45 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 17 T 7.53 4.47 4.13 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 1.00 0.00 0.00 18 A 7.33 4.23 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 19 G 8.60 3.54 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 0.00 20 Y 7.70 4.15 0.00 3.03 2.88 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 21 P 0.00 4.76 0.00 2.18 2.10 0.00 3.96 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 2.00 1.95 0.00 22 G 6.77 4.99 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 23 V 7.51 4.25 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 0.63 0.00 0.00 0.76 0.00 0.00 24 H 8.83 4.70 0.00 3.12 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.05 4.20 1.99 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 0.65 0.00 0.00 0.75 0.00 0.00 26 S 8.19 4.75 0.00 3.89 3.82 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 27 D 8.08 4.93 0.00 2.78 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 28 L 8.40 4.94 0.00 1.68 1.70 1.05 0.89 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 29 S 7.52 4.79 0.00 3.95 3.74 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 30 S 8.15 4.22 0.00 4.08 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 31 S 8.37 4.33 0.00 4.01 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.29 4.78 0.00 3.49 3.34 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 33 A 8.38 4.10 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 34 D 7.92 4.51 0.00 2.90 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 35 G 8.03 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 36 L 8.04 3.77 0.00 1.67 1.48 0.69 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 37 A 6.99 3.42 -0.43 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 38 L 7.59 4.04 0.00 2.16 1.88 1.48 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.13 4.20 0.00 3.02 2.89 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 0.00 0.00 0.00 40 A 8.12 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.62 3.83 0.00 1.88 1.52 0.98 1.29 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 42 V 7.70 3.59 2.20 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 1.07 0.00 0.00 0.99 0.00 0.00 43 Y 8.55 4.31 0.00 3.17 3.30 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 44 R 7.67 3.71 0.00 2.10 1.74 0.00 3.29 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 45 L 7.35 4.12 0.00 1.78 1.68 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.31 4.51 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 47 P 0.00 3.49 0.00 1.85 1.44 0.00 3.22 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 48 G 7.89 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 0.00 0.00 0.00 49 L 7.87 4.97 0.00 1.66 1.68 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.08 5.21 0.00 2.16 1.92 1.27 1.10 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 51 E 8.48 4.67 0.00 1.60 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 2.37 2.27 0.00 52 P 0.00 4.09 0.00 1.98 2.14 0.00 3.24 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 1.39 1.43 0.00 53 S 7.77 4.19 0.00 3.70 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 54 E 7.68 3.91 0.00 1.83 1.80 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 2.08 2.22 0.00 55 L 7.44 4.11 0.00 1.59 1.60 0.66 -0.33 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 56 Q 8.26 4.03 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 57 G 7.72 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 58 L 7.40 3.98 0.00 1.72 1.69 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 G 6.70 4.30 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 0.00 60 A 7.99 3.98 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 61 L 7.89 3.97 0.00 1.73 1.77 0.94 1.05 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 62 E 8.18 4.08 0.00 2.03 2.01 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 2.46 2.40 0.00 63 A 7.95 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 3.92 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 1.31 0.00 0.00 65 A 8.14 4.07 1.46 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 0.00 0.00 0.00 66 W 8.83 3.91 0.00 3.55 3.25 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 67 A 8.75 4.28 1.66 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 0.00 0.00 68 L 8.67 4.20 0.00 1.97 1.81 0.95 0.89 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 69 K 8.22 3.95 0.00 1.88 1.66 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 70 V 7.73 3.38 1.73 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 -0.57 0.00 0.00 0.77 0.00 0.00 71 A 8.49 4.09 1.61 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 0.00 0.00 72 E 8.11 4.28 0.00 2.33 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 2.31 2.22 0.00 73 N 7.89 4.35 0.00 2.82 2.82 0.00 0.00 6.95 7.72 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 74 E 8.92 4.16 0.00 2.06 2.28 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 2.38 2.38 0.00 75 L 8.27 4.48 0.00 1.84 1.80 1.42 1.26 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 76 G 8.12 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.06 1.62 0.00 0.00 0.52 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 0.93 0.29 0.00 0.00 78 T 8.20 4.83 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 1.24 0.00 0.00 79 P 0.00 4.24 0.00 1.98 1.90 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 80 V 7.57 4.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.09 0.00 0.00 81 V 6.87 4.40 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 0.86 0.00 0.00 0.76 0.00 0.00 82 S 8.23 4.33 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.01 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 84 Q 8.15 3.95 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 85 A 7.89 3.99 1.31 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 0.00 0.00 86 V 7.80 3.44 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 1.03 0.00 0.00 0.89 0.00 0.00 87 V 8.05 3.68 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 1.00 0.00 0.00 1.01 0.00 0.00 88 A 8.07 4.32 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 89 G 7.68 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.80 4.82 0.00 3.98 3.94 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 0.00 0.00 0.00 91 D 7.50 4.78 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 4.18 0.00 2.24 2.29 0.00 3.67 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 2.05 2.04 0.00 93 L 7.91 4.09 0.00 1.72 1.73 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.88 3.54 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 0.00 95 L 8.11 3.75 0.00 1.74 1.36 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.81 3.71 1.87 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 1.47 0.42 0.96 0.00 0.00 97 A 7.84 3.96 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 98 Y 8.08 4.18 0.00 3.15 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 99 L 7.97 4.32 0.00 2.01 1.82 1.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.87 3.95 0.00 4.04 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 0.00 101 H 7.68 4.00 0.00 2.93 2.63 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.60 3.71 0.00 3.26 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 0.00 103 H 8.00 3.60 0.00 2.01 2.89 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.09 3.51 0.00 3.91 3.70 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 0.00 105 A 7.53 3.94 1.22 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 0.00 0.00 0.00 106 F 7.31 4.71 0.00 3.40 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 0.00 107 K 8.80 4.17 0.00 1.59 1.69 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.51 7.81 108 S 7.63 4.48 0.00 3.91 3.86 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 0.00 109 M 7.97 3.60 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00