NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4420 8.3349 115.4132 58.0299 64.3078 173.6662 2 K 4.0627 7.7747 118.9986 57.2607 33.0952 176.1050 3 T 4.2373 8.4043 117.1311 64.8937 71.0589 175.0448 4 N 4.4771 7.9421 120.1224 52.6453 39.6714 173.5578 5 P 4.3066 0.0000 0.0000 65.5051 31.3694 179.0116 6 R 3.8848 8.4962 117.3475 59.1912 30.1506 178.6579 7 L 3.9845 8.0779 119.5982 58.1271 42.1389 178.8520 8 S 4.0903 8.0514 113.2031 61.4797 62.3249 176.3635 9 S 4.1630 7.9831 117.8712 61.2168 62.5368 176.3027 10 L 3.9075 8.3021 123.6314 58.2381 41.7675 179.1629 11 I 3.7079 7.7347 119.3853 64.1553 36.9885 178.3078 12 A 3.9467 7.8481 121.0867 55.4253 18.3056 179.3721 13 D 4.2785 8.4254 117.7919 57.6111 40.5041 179.1928 14 L 3.9380 8.4122 119.6224 57.2756 41.4621 179.5056 15 K 4.1894 7.7821 118.2657 58.7745 32.2349 179.0797 16 S 4.0588 8.2361 113.3664 61.3891 62.3571 176.1311 17 A 4.0359 7.9864 123.1417 55.2101 17.9119 179.4900 18 A 4.3702 7.5273 118.2441 54.9192 18.5568 179.7447 19 R 4.1066 8.2251 115.5082 58.4510 30.3042 178.3582 20 S 4.6055 8.1098 113.4700 58.6704 64.0962 173.9273 21 S 4.7886 8.3895 117.1600 56.6759 65.4060 173.6397 22 G 3.9809 8.4124 108.8977 46.0711 0.0000 174.1592 23 G 4.0124 7.8694 107.1372 42.6185 0.0000 173.5098 24 A 4.6011 8.0905 123.2754 52.3257 20.4758 179.4981 25 V 3.3698 7.2778 110.8256 64.3307 31.6024 178.0901 26 W 5.3488 7.7662 118.2914 60.4103 28.9400 178.8070 27 G 3.6433 8.2403 104.6805 47.4650 0.0000 175.2329 28 D 4.2699 8.0477 120.4216 57.4436 41.3717 178.5228 29 V 3.6520 9.0231 119.5030 65.8955 31.4177 177.7918 30 A 4.0464 8.3737 121.0047 55.1983 17.9840 179.5001 31 E 4.1333 7.9017 116.2915 59.5404 29.8233 179.2498 32 R 4.0449 7.9543 118.4007 59.2544 29.9167 178.5389 33 L 3.8079 7.8115 118.0469 57.3781 41.6447 178.9121 34 E 4.1680 7.8605 117.5630 57.9187 29.5562 177.5239 35 K 4.2921 7.0533 117.2675 55.0198 32.9895 174.9202 36 P 4.3474 0.0000 0.0000 62.7238 32.0988 177.7950 37 R 3.4659 8.7896 121.3294 59.4091 30.0839 179.1421 38 R 3.9744 7.9494 112.5660 58.6944 29.3753 177.3313 39 T 4.2651 7.8511 107.6987 62.6122 69.5735 175.0379 40 H 4.3139 7.8400 119.3158 55.5677 29.4358 174.8718 41 A 4.1635 8.1028 122.9584 52.4454 19.4964 176.8837 42 E 4.7821 8.7142 120.1884 54.3479 31.3693 174.0154 43 V 4.4468 8.6088 123.7904 60.8854 34.6939 174.8106 44 N 5.4436 8.5074 123.7221 51.4147 40.2381 176.1103 45 L 4.1584 8.3144 120.1674 57.9862 41.6297 180.0816 46 G 3.7320 8.2168 105.2414 47.7579 0.0000 175.2437 47 R 4.0438 7.9309 120.1191 58.8463 30.1588 178.5663 48 I 3.7713 7.6519 119.3485 64.3559 37.0094 177.6670 49 E 3.8855 8.0502 118.9619 59.3536 29.4308 178.5196 50 R 3.8933 7.1957 116.9578 58.0405 30.2076 176.2948 51 Y 4.7989 7.3858 112.7431 57.3657 39.4323 175.4014 52 A 4.6517 8.0272 123.4211 51.0555 20.2674 176.6863 53 Q 4.6161 8.0959 116.1791 53.9767 31.8310 175.0628 54 E 3.9945 8.6194 119.1679 57.9889 30.0282 177.6430 55 D 4.4301 8.7889 118.8046 54.7312 38.7908 173.3396 56 E 4.5705 7.6312 120.7067 54.2163 31.1738 175.6775 57 T 4.1314 8.2261 124.3940 64.1350 69.8052 173.8325 58 V 4.3140 8.6238 127.4873 62.4313 33.1726 174.7334 59 V 4.8026 9.1102 128.2812 61.2686 33.9521 174.3055 60 V 4.8096 9.2346 129.5860 59.0556 32.6132 174.6864 61 P 4.6404 0.0000 0.0000 61.4015 30.3635 174.8328 62 G 4.2312 7.3150 113.9782 47.5700 0.0000 174.1341 63 K 4.9915 9.2822 126.5510 54.3240 35.8575 174.6037 64 V 4.7740 8.3038 125.9342 61.4091 33.5310 174.8035 65 L 4.9588 9.5805 128.3784 52.8156 44.7941 176.9084 66 G 4.1094 8.5692 106.5540 46.9101 0.0000 174.1462 67 S 4.3800 8.3198 117.2456 59.2950 64.3284 175.5259 68 G 3.9948 8.9307 110.0086 44.5574 0.0000 172.1417 69 V 4.3202 7.9746 117.0235 60.6997 33.8552 174.6217 70 L 4.8248 8.5487 128.5189 53.4756 43.7302 175.2731 71 Q 4.4983 9.4623 124.6160 56.9130 31.0436 176.8388 72 K 3.9459 8.2103 115.5507 57.0442 32.7739 176.6722 73 D 5.4870 8.4921 122.4357 52.5605 40.4849 175.0232 74 V 4.7562 7.9526 116.0782 59.2403 36.5247 174.5918 75 T 4.8198 8.3948 119.4214 62.4311 69.8829 173.7433 76 V 4.6362 8.8530 128.1395 61.6065 33.5145 174.4181 77 A 5.9400 9.8212 129.8866 49.6735 20.8477 174.9841 78 A 5.1148 8.4339 122.4824 49.0723 22.8452 176.7538 79 V 3.6165 8.3786 119.2644 66.2369 32.0680 175.5881 80 D 4.6270 7.1465 116.5771 53.5244 44.4070 174.3400 81 F 5.4086 8.8197 120.3881 55.4256 43.0138 175.0674 82 S 4.3960 8.9369 116.9176 57.9431 64.2727 175.5977 83 G 3.6822 8.9158 106.8512 48.5178 0.0000 176.0060 84 T 3.8961 7.9410 117.9715 65.9449 68.4956 176.3453 85 A 4.0140 7.8911 122.2170 55.4156 18.4156 179.3890 86 E 3.7317 8.3554 117.3165 59.2495 29.2946 179.3302 87 T 3.8653 7.2973 115.4139 66.4421 69.1428 176.5532 88 K 4.5335 8.0852 121.7540 59.0097 32.0514 179.3352 89 I 3.6971 7.8125 119.7801 64.7127 36.9097 178.2871 90 D 4.4644 7.5864 117.5437 56.9964 40.6612 178.9317 91 Q 4.1007 7.8795 118.6356 58.7566 28.9384 178.1629 92 V 4.3517 7.6142 110.6384 61.7148 33.5722 175.1498 93 G 4.2606 7.8035 111.7212 44.8363 0.0000 175.4102 94 E 5.0200 9.8149 126.0093 54.5634 33.3571 172.2126 95 A 4.9438 8.7560 128.4661 50.2580 20.7154 176.2759 96 V 4.6108 9.1254 122.3023 60.9584 35.7747 174.8918 97 S 5.1908 8.5502 119.0472 57.2723 64.5418 175.2067 98 L 3.8776 8.0772 121.2418 58.0997 40.9944 179.9467 99 E 3.8487 7.9857 117.4320 59.2718 29.6365 179.0220 100 Q 4.0382 7.9741 117.7406 58.8896 28.3877 178.0835 101 A 4.0371 8.0739 121.9760 55.7365 18.1543 179.7659 102 I 3.0894 7.4203 116.7997 64.2040 37.0541 177.9401 103 E 4.1288 8.0400 119.6590 58.5213 29.5494 176.8450 104 N 4.7517 7.3605 113.0015 52.7070 39.4414 174.8729 105 N 4.7180 7.5697 112.3738 52.3838 40.4856 173.3197 106 P 4.7364 0.0000 0.0000 66.1639 31.6258 178.3127 107 E 4.0814 8.5025 117.6363 57.0546 30.1375 176.0661 108 G 3.6643 8.4493 107.7704 46.3149 0.0000 172.2870 109 S 4.5523 8.3100 112.1387 57.0759 66.2274 174.6701 110 H 3.9988 8.3562 115.2393 56.3247 25.5891 173.9931 111 V 4.7603 7.1088 116.7588 60.0880 35.1147 175.5222 112 R 4.5678 8.9996 124.1771 54.4078 32.6772 174.5509 113 V 4.4415 8.4116 126.6850 62.8010 32.2215 175.0999 114 I 4.8685 8.8095 127.9826 59.5405 41.3840 175.9101 115 R 4.1708 8.3914 121.0887 56.6395 29.1812 174.7304 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 8.33 4.44 0.00 3.99 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 2 K 7.77 4.06 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.40 4.24 4.24 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 1.21 0.00 0.00 4 N 7.94 4.48 0.00 2.75 2.72 0.00 0.00 7.23 7.71 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 5 P 0.00 4.31 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.50 3.88 0.00 1.95 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.08 3.98 0.00 1.75 1.83 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.05 4.09 0.00 4.09 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 9 S 7.98 4.16 0.00 4.04 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 10 L 8.30 3.91 0.00 1.69 1.81 0.88 0.91 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 11 I 7.73 3.71 2.03 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 1.45 1.23 0.91 0.00 0.00 12 A 7.85 3.95 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 13 D 8.43 4.28 0.00 2.86 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 14 L 8.41 3.94 0.00 1.89 1.87 0.91 0.82 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 15 K 7.78 4.19 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.64 7.81 16 S 8.24 4.06 0.00 3.88 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 17 A 7.99 4.04 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 18 A 7.53 4.37 1.57 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 19 R 8.23 4.11 0.00 1.82 2.02 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 20 S 8.11 4.61 0.00 3.93 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 21 S 8.39 4.79 0.00 4.14 3.91 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 22 G 8.41 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 23 G 7.87 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 0.00 0.00 0.00 24 A 8.09 4.60 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 25 V 7.28 3.37 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 0.63 0.00 0.00 -0.21 0.00 0.00 26 W 7.77 5.35 0.00 3.34 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 27 G 8.24 3.64 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 0.00 0.00 0.00 28 D 8.05 4.27 0.00 3.06 2.84 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 29 V 9.02 3.65 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 1.03 0.00 0.00 1.10 0.00 0.00 30 A 8.37 4.05 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 31 E 7.90 4.13 0.00 2.17 2.03 0.00 0.00 0.00 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 2.44 0.00 32 R 7.95 4.04 0.00 1.94 2.03 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 33 L 7.81 3.81 0.00 1.65 1.68 0.89 0.66 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 34 E 7.86 4.17 0.00 2.14 2.03 0.00 0.00 0.00 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 2.46 0.00 35 K 7.05 4.29 0.00 2.03 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 P 0.00 4.35 0.00 2.16 1.96 0.00 3.64 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 2.11 2.11 0.00 37 R 8.79 3.47 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 38 R 7.95 3.97 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 7.85 4.27 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 40 H 7.84 4.31 0.00 3.25 3.26 0.00 5.68 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 41 A 8.10 4.16 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 42 E 8.71 4.78 0.00 1.80 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 2.20 2.44 0.00 43 V 8.61 4.45 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.51 5.44 0.00 2.80 2.95 0.00 0.00 7.62 6.74 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 45 L 8.31 4.16 0.00 1.77 1.74 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.22 3.73 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 0.00 47 R 7.93 4.04 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 48 I 7.65 3.77 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.46 0.96 0.00 0.00 49 E 8.05 3.89 0.00 1.98 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 2.41 2.31 0.00 50 R 7.20 3.89 0.00 1.75 1.31 0.00 2.38 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.30 0.00 51 Y 7.39 4.80 0.00 2.96 2.86 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 52 A 8.03 4.65 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 53 Q 8.10 4.62 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 54 E 8.62 3.99 0.00 2.06 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 0.00 2.60 2.35 0.00 55 D 8.79 4.43 0.00 2.83 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 56 E 7.63 4.57 0.00 1.92 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 2.23 2.27 0.00 57 T 8.23 4.13 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 1.38 0.00 0.00 58 V 8.62 4.31 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.11 4.80 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 1.08 0.00 0.00 1.11 0.00 0.00 60 V 9.23 4.81 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 0.93 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.64 0.00 2.13 2.24 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 G 7.31 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 0.00 0.00 0.00 63 K 9.28 4.99 0.00 1.72 1.57 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.33 7.81 64 V 8.30 4.77 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 1.07 0.00 0.00 0.81 0.00 0.00 65 L 9.58 4.96 0.00 1.65 1.55 0.93 0.75 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 66 G 8.57 4.11 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 0.00 0.00 0.00 67 S 8.32 4.38 0.00 4.10 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 68 G 8.93 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 69 V 7.97 4.32 2.07 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.55 4.82 0.00 1.61 1.53 1.00 0.75 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 71 Q 9.46 4.50 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.21 3.95 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.79 7.81 73 D 8.49 5.49 0.00 2.86 2.57 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 74 V 7.95 4.76 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 0.78 0.00 0.00 1.00 0.00 0.00 75 T 8.39 4.82 4.29 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 1.27 0.00 0.00 76 V 8.85 4.64 2.31 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 0.99 0.00 0.00 1.02 0.00 0.00 77 A 9.82 5.94 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 78 A 8.43 5.11 0.50 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 0.00 0.00 79 V 8.38 3.62 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 0.71 0.00 0.00 0.90 0.00 0.00 80 D 7.15 4.63 0.00 2.77 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 0.00 0.00 0.00 0.00 81 F 8.82 5.41 0.00 2.85 2.93 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 82 S 8.94 4.40 0.00 3.96 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 83 G 8.92 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 84 T 7.94 3.90 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 1.23 0.00 0.00 85 A 7.89 4.01 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.73 0.00 1.94 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 0.00 2.19 2.07 0.00 87 T 7.30 3.87 4.42 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 1.20 0.00 0.00 88 K 8.09 4.53 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.54 7.81 89 I 7.81 3.70 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.88 0.92 0.00 0.00 90 D 7.59 4.46 0.00 2.79 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 91 Q 7.88 4.10 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 92 V 7.61 4.35 2.24 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 0.82 0.00 0.00 0.98 0.00 0.00 93 G 7.80 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 0.00 0.00 0.00 0.00 94 E 9.81 5.02 0.00 2.00 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 0.00 2.17 2.22 0.00 95 A 8.76 4.94 0.59 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 0.00 0.00 96 V 9.13 4.61 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 1.04 0.00 0.00 0.93 0.00 0.00 97 S 8.55 5.19 0.00 4.23 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 98 L 8.08 3.88 0.00 1.73 1.61 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.99 3.85 0.00 1.88 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 2.27 2.39 0.00 100 Q 7.97 4.04 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 8.07 4.04 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 0.00 102 I 7.42 3.09 1.66 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.08 0.56 0.00 0.00 103 E 8.04 4.13 0.00 1.90 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 2.32 0.00 104 N 7.36 4.75 0.00 2.84 2.85 0.00 0.00 6.83 7.88 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 0.00 105 N 7.57 4.72 0.00 2.87 3.06 0.00 0.00 6.86 7.71 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 0.00 106 P 0.00 4.74 0.00 2.31 2.24 0.00 3.91 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 2.07 2.05 0.00 107 E 8.50 4.08 0.00 2.14 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 2.43 2.40 0.00 108 G 8.45 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 0.00 0.00 0.00 109 S 8.31 4.55 0.00 3.88 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 0.00 110 H 8.36 4.00 0.00 3.31 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.11 4.76 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 0.40 0.00 0.00 0.96 0.00 0.00 112 R 9.00 4.57 0.00 2.12 1.80 0.00 3.21 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 113 V 8.41 4.44 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 8.81 4.87 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 1.00 0.00 0.00 115 R 8.39 4.17 0.00 1.86 1.82 0.00 3.05 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00