NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4507 8.3193 115.3015 57.9296 62.8301 173.0341 1 P 4.7627 0.0000 0.0000 60.4457 34.0192 173.3257 2 I 5.0113 8.8785 117.4135 60.1584 41.8334 175.5837 3 D 4.9422 8.6697 125.8362 51.6218 43.2738 174.3030 4 P 4.7041 0.0000 0.0000 60.9150 32.0813 173.7880 5 P 4.4477 0.0000 0.0000 62.9574 31.6502 175.6092 6 G 3.9306 9.6315 108.4787 45.4130 0.0000 173.5889 7 K 4.0758 8.5925 121.7650 56.1140 32.5351 174.6869 8 P 4.9830 0.0000 0.0000 62.6571 32.3633 176.1727 9 V 4.5123 9.1727 123.7888 59.1793 34.2436 173.1661 10 P 4.7311 0.0000 0.0000 62.8387 31.1096 176.5552 11 L 4.3537 8.8767 125.3818 56.7485 42.7120 176.8809 12 N 5.1185 7.9644 115.8673 51.8949 42.9404 173.9788 13 I 4.7463 8.2345 117.2869 59.5207 38.7551 174.8286 14 T 4.6303 9.2527 124.0497 61.7759 69.4295 176.5575 15 R 4.1071 8.6089 120.0910 59.5277 29.1882 177.1851 16 H 4.7158 8.0218 111.7117 55.1557 31.1566 173.1741 17 T 4.4074 8.0123 111.7983 61.0970 71.2066 172.7157 18 V 4.4089 8.3361 128.3689 61.6018 33.2422 174.5083 19 T 4.9362 8.9001 126.1373 62.0597 70.2814 174.0448 20 L 5.4254 8.9041 126.0243 54.0448 44.6186 175.2470 21 K 4.8791 9.0360 118.7647 55.2595 36.7417 174.6748 22 W 5.3041 7.0461 116.2371 55.4400 31.5908 173.2814 23 A 4.7591 8.6157 120.9588 49.9950 20.2527 177.0859 24 K 3.9598 8.6478 122.2188 56.2493 33.3728 175.1177 25 P 4.5073 0.0000 0.0000 63.3149 31.7604 175.6875 26 E 4.6645 8.6951 115.8820 56.2920 31.1466 175.1895 27 Y 4.4480 7.3026 116.4277 55.9142 41.8381 175.2785 28 T 3.6255 8.7635 107.1772 63.8813 69.0164 176.0782 29 G 3.9313 8.2218 106.4150 46.0190 0.0000 174.1158 30 G 3.6865 5.7526 106.4793 44.3969 0.0000 171.8455 31 F 5.1232 7.9312 118.4602 55.2254 42.5819 175.1416 32 K 4.5454 8.2046 116.5216 55.3886 33.7243 172.4394 33 I 3.4082 8.1347 128.3158 61.2897 37.2684 173.5619 34 T 4.5198 8.2582 115.1508 60.2973 69.1536 173.8661 35 S 4.8308 6.5892 117.4570 59.5126 64.7893 176.1214 36 Y 4.9749 8.3261 125.9440 56.1344 38.0836 175.4896 37 I 4.2808 8.5523 125.1220 61.0447 39.5259 175.1957 38 V 5.2995 8.7478 123.0103 60.9244 34.8875 173.3142 39 E 5.1239 8.9076 124.9445 55.0317 31.6245 174.9926 40 K 5.4907 9.0302 123.1468 55.3704 35.7853 175.0041 41 R 4.2505 8.9249 123.8625 54.7175 32.0576 174.8095 42 D 4.3089 8.3745 127.4864 53.1362 40.2279 175.8570 43 L 4.4014 7.7694 122.8812 52.9990 42.9237 174.3487 44 P 4.6004 0.0000 0.0000 62.6127 32.4471 176.8860 45 N 4.8500 7.8660 112.4380 53.0805 38.1551 172.7265 46 G 4.1236 6.8350 109.4837 46.4585 0.0000 172.2692 47 R 4.0601 8.3055 114.7014 55.2272 29.8297 172.7796 48 W 3.7200 8.0205 120.5698 58.0318 27.5021 174.1604 49 L 4.6682 8.8611 122.8334 52.3562 44.1252 175.4848 50 K 5.0950 9.1410 123.3636 56.3683 31.3569 176.6527 51 A 4.1387 8.6117 128.5779 55.4429 18.7694 177.9466 52 N 4.5967 7.9093 111.7655 54.0840 37.3115 175.1491 53 F 5.0535 8.5213 119.7596 59.1022 40.1498 174.2324 54 S 4.4442 7.9940 112.7206 57.0417 63.5646 171.4407 55 N 3.8367 8.1302 122.5125 53.9444 37.4921 174.0305 56 I 4.3459 7.6517 127.4733 59.8052 36.2062 176.3529 57 L 3.7530 8.2300 126.5785 57.0129 42.5804 177.1492 58 E 4.5746 7.9913 115.5842 54.9967 31.1961 176.7708 59 N 3.5440 8.3209 119.9901 50.8172 35.4201 175.2482 60 E 4.5129 6.6964 114.7663 56.1174 31.7702 174.4723 61 F 5.1325 9.1705 127.5418 56.2057 44.0122 173.1002 62 T 4.6324 5.9477 117.4072 61.3824 71.1841 174.1951 63 V 4.1905 8.6832 128.3899 62.3816 32.3536 174.6983 64 S 5.0054 8.4464 127.8156 58.2130 64.8782 175.6122 65 G 3.9585 8.0803 112.9903 46.9323 0.0000 174.3963 66 L 3.9917 6.9908 118.8521 54.0055 43.5160 176.1766 67 T 4.4204 7.3886 114.1091 62.5488 72.5227 173.2813 68 E 4.7636 8.5617 123.5787 55.9758 30.8293 175.3265 69 D 4.3357 8.6329 119.1738 54.3480 39.5413 173.9673 70 A 4.5322 8.7831 118.6622 50.7285 23.1438 177.3894 71 A 4.3572 8.5545 125.4933 52.0460 19.9448 175.6702 72 Y 5.3897 8.8527 120.2497 55.1241 41.4599 174.5743 73 E 4.6372 8.2460 124.2462 54.5599 32.8817 174.5452 74 F 5.8013 8.6826 122.9954 56.2197 43.2250 174.1621 75 R 4.7554 8.8890 120.4881 54.3960 32.8411 175.4275 76 V 4.3764 7.8548 119.3082 61.2974 33.5441 174.2014 77 I 4.6344 8.1310 129.3165 60.0935 39.2483 175.0404 78 A 4.8378 8.3478 125.9270 51.0196 23.0549 176.8374 79 K 4.4066 8.4616 121.2333 55.4017 34.1900 175.3810 80 N 5.0340 8.0735 115.3104 50.7222 40.1023 175.0158 81 A 3.4994 8.8471 121.4505 55.3547 18.3493 178.9245 82 A 4.0767 7.1853 116.8635 52.9816 18.9058 177.9337 83 G 3.8979 8.8844 104.2337 45.5587 0.0000 174.1751 84 A 3.9138 7.7614 122.7166 52.3032 18.7842 176.2294 85 I 4.1575 7.7775 119.3027 58.6523 38.6991 175.0909 86 S 4.3386 8.9203 124.9508 57.6207 63.5661 172.3367 87 P 4.5420 0.0000 0.0000 61.5716 31.8607 173.9295 88 P 4.3324 0.0000 0.0000 62.9213 32.0973 175.7679 89 S 4.1515 9.2808 119.2599 58.7261 63.5317 172.5033 90 E 3.8241 8.5374 127.4665 53.6220 27.8531 174.6305 91 P 4.2895 0.0000 0.0000 60.2855 33.1350 175.5475 92 S 4.7875 9.5525 117.3993 57.0246 64.2710 172.9791 93 D 4.3651 8.7676 124.2439 53.9200 41.2748 176.7332 94 A 4.6651 8.4520 126.0271 51.5024 18.8436 176.7424 95 I 4.4613 8.2321 124.3223 59.9305 38.7787 177.0487 96 T 3.8577 8.7301 122.5471 65.1630 69.1043 173.6808 97 C 4.3246 8.2978 117.8817 60.3560 25.5573 174.0964 98 R 4.5731 7.9973 112.8901 57.5348 34.3978 177.0399 99 D 4.7957 8.3266 117.4181 55.5332 38.7193 177.8954 100 D 4.5559 8.2077 118.0399 55.5289 40.9521 177.2093 101 V 4.5154 8.7775 118.5143 61.1724 32.8082 175.5666 102 E 4.4736 7.7610 116.4579 56.9494 32.5137 175.2066 103 A 4.0950 8.1365 126.4477 52.3594 20.0794 175.6958 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 0 S 8.32 4.45 0.00 3.89 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 1 P 0.00 4.76 0.00 2.43 2.26 0.00 4.02 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 2 I 8.88 5.01 2.12 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 1.55 1.06 0.98 0.00 0.00 3 D 8.67 4.94 0.00 2.76 2.61 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 4 P 0.00 4.70 0.00 2.13 2.16 0.00 3.42 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 5 P 0.00 4.45 0.00 2.01 2.16 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 6 G 9.63 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 7 K 8.59 4.08 0.00 1.79 1.79 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.56 7.81 8 P 0.00 4.98 0.00 2.05 1.99 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 9 V 9.17 4.51 2.16 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 0.98 0.00 0.00 0.99 0.00 0.00 10 P 0.00 4.73 0.00 2.04 2.13 0.00 3.78 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 2.21 2.33 0.00 11 L 8.88 4.35 0.00 1.51 1.71 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.96 5.12 0.00 2.77 2.55 0.00 0.00 6.75 7.81 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 13 I 8.23 4.75 1.96 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 1.45 1.17 1.00 0.00 0.00 14 T 9.25 4.63 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 1.25 0.00 0.00 15 R 8.61 4.11 0.00 1.97 2.14 0.00 3.06 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 H 8.02 4.72 0.00 3.08 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.01 4.41 4.16 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 1.15 0.00 0.00 18 V 8.34 4.41 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 0.77 0.00 0.00 1.10 0.00 0.00 19 T 8.90 4.94 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 1.16 0.00 0.00 20 L 8.90 5.43 0.00 1.86 1.83 0.57 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.04 4.88 0.00 1.73 1.84 0.00 1.08 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.38 7.81 22 W 7.05 5.30 0.00 3.28 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 23 A 8.62 4.76 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 24 K 8.65 3.96 0.00 1.80 1.81 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.54 7.81 25 P 0.00 4.51 0.00 2.17 2.36 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 26 E 8.70 4.66 0.00 1.99 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 2.24 2.30 0.00 27 Y 7.30 4.45 0.00 2.82 3.10 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 28 T 8.76 3.63 4.49 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 1.40 0.00 0.00 29 G 8.22 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 30 G 5.75 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.93 5.12 0.00 2.97 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 32 K 8.20 4.55 0.00 1.83 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.53 7.81 33 I 8.13 3.41 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.59 0.97 0.00 0.00 34 T 8.26 4.52 4.16 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 1.17 0.00 0.00 35 S 6.59 4.83 0.00 3.74 3.66 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 36 Y 8.33 4.97 0.00 3.35 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 37 I 8.55 4.28 1.89 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 1.26 0.76 0.96 0.00 0.00 38 V 8.75 5.30 1.81 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 0.72 0.00 0.00 1.04 0.00 0.00 39 E 8.91 5.12 0.00 2.04 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 2.36 2.22 0.00 40 K 9.03 5.49 0.00 2.14 2.37 0.00 1.39 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.62 7.81 41 R 8.92 4.25 0.00 0.67 0.97 0.00 2.26 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.89 0.00 42 D 8.37 4.31 0.00 2.58 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 43 L 7.77 4.40 0.00 1.37 1.39 0.72 0.79 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 44 P 0.00 4.60 0.00 2.08 2.03 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 45 N 7.87 4.85 0.00 2.71 2.74 0.00 0.00 6.53 6.27 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 46 G 6.83 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 47 R 8.31 4.06 0.00 1.83 1.87 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 48 W 8.02 3.72 0.00 3.46 3.33 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 49 L 8.86 4.67 0.00 1.69 1.58 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.14 5.09 0.00 1.88 1.91 0.00 1.20 0.00 0.00 2.38 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 51 A 8.61 4.14 1.45 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 0.00 0.00 52 N 7.91 4.60 0.00 1.99 1.59 0.00 0.00 5.61 7.33 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 53 F 8.52 5.05 0.00 2.87 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 54 S 7.99 4.44 0.00 3.99 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 55 N 8.13 3.84 0.00 2.73 2.76 0.00 0.00 7.05 8.07 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 56 I 7.65 4.35 2.10 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.32 1.46 0.00 0.00 57 L 8.23 3.75 0.00 1.53 1.69 0.81 0.99 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 58 E 7.99 4.57 0.00 2.11 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 2.31 2.27 0.00 59 N 8.32 3.54 0.00 1.44 2.20 0.00 0.00 5.43 7.31 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 60 E 6.70 4.51 0.00 1.68 1.75 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 2.06 2.20 0.00 61 F 9.17 5.13 0.00 3.45 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 62 T 5.95 4.63 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 1.06 0.00 0.00 63 V 8.68 4.19 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 1.24 0.00 0.00 1.03 0.00 0.00 64 S 8.45 5.01 0.00 4.01 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 65 G 8.08 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 66 L 6.99 3.99 0.00 1.43 0.89 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.39 4.42 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 1.29 0.00 0.00 68 E 8.56 4.76 0.00 2.05 1.91 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 2.51 2.33 0.00 69 D 8.63 4.34 0.00 2.81 2.68 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 70 A 8.78 4.53 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 71 A 8.55 4.36 1.15 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 0.00 0.00 72 Y 8.85 5.39 0.00 2.93 2.63 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 73 E 8.25 4.64 0.00 1.86 1.86 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 2.54 2.53 0.00 74 F 8.68 5.80 0.00 3.07 3.02 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 0.00 0.00 0.00 75 R 8.89 4.76 0.00 1.70 1.44 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 0.00 76 V 7.85 4.38 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 0.19 0.00 0.00 -0.14 0.00 0.00 77 I 8.13 4.63 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.29 0.92 0.00 0.00 78 A 8.35 4.84 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 79 K 8.46 4.41 0.00 1.69 1.75 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.37 7.81 80 N 8.07 5.03 0.00 2.57 2.78 0.00 0.00 6.90 6.87 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 81 A 8.85 3.50 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 82 A 7.19 4.08 0.80 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 83 G 8.88 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 0.00 0.00 0.00 84 A 7.76 3.91 1.14 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 0.00 0.00 85 I 7.78 4.16 1.83 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 0.83 0.88 0.00 0.00 86 S 8.92 4.34 0.00 4.02 4.05 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 0.00 0.00 0.00 87 P 0.00 4.54 0.00 2.04 2.11 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 88 P 0.00 4.33 0.00 1.76 1.85 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 89 S 9.28 4.15 0.00 3.87 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 90 E 8.54 3.82 0.00 1.88 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 2.27 2.37 0.00 91 P 0.00 4.29 0.00 2.23 2.07 0.00 3.48 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.95 0.00 92 S 9.55 4.79 0.00 4.30 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 93 D 8.77 4.37 0.00 2.80 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 94 A 8.45 4.67 1.16 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 0.00 0.00 95 I 8.23 4.46 2.11 0.00 0.00 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 1.56 0.69 1.03 0.00 0.00 96 T 8.73 3.86 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 1.23 0.00 0.00 97 C 8.30 4.32 0.00 3.44 3.18 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 98 R 8.00 4.57 0.00 2.05 2.22 0.00 3.02 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 99 D 8.33 4.80 0.00 3.01 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 0.00 100 D 8.21 4.56 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 0.00 101 V 8.78 4.52 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 0.78 0.00 0.00 0.95 0.00 0.00 102 E 7.76 4.47 0.00 2.15 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 2.26 2.54 0.00 103 A 8.14 4.09 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