NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4240 8.3049 120.3508 55.6463 34.1008 174.3100 2 V 4.3764 7.7120 106.4488 57.6630 32.1595 174.3413 3 P 4.2950 0.0000 0.0000 66.0181 32.5335 177.9933 4 H 4.1980 8.1324 113.7059 58.8550 28.7199 177.3085 5 T 3.8752 7.3697 118.1314 66.1074 67.9221 176.2995 6 L 3.9508 7.8994 122.1698 57.9146 41.8761 178.4463 7 S 4.4853 7.7245 112.5062 59.7602 63.1367 174.8045 8 T 4.2070 7.7082 116.3689 63.9248 68.8916 174.6383 9 L 4.0956 7.5556 121.7229 55.0452 42.4591 176.2236 10 K 4.9514 8.5783 124.2527 55.1884 34.4277 177.0312 11 T 4.7079 9.0189 114.9298 60.6921 70.5292 175.3257 12 A 4.0782 9.1646 124.3245 54.1322 18.2916 177.8339 13 D 4.5419 7.9681 113.6522 53.9495 41.6748 176.2534 14 N 4.5079 8.4162 115.9422 54.4614 38.4761 173.6147 15 R 4.5583 7.5928 115.6847 54.1234 31.6927 174.4021 16 P 4.7105 0.0000 0.0000 62.5131 32.0943 177.2030 17 A 4.2454 8.7787 121.9593 54.2014 18.1946 180.0497 18 S 4.1017 8.1390 113.7392 61.4066 62.6344 176.7283 19 V 3.8074 7.5474 114.2221 63.5438 31.1661 176.2960 20 Y 4.6897 8.0256 114.8641 57.4813 39.6637 175.8325 21 L 4.8699 7.8556 116.5388 52.7834 42.4844 174.3270 22 K 4.3376 7.5700 119.3706 56.5303 35.5311 175.5157 23 K 3.9557 8.9558 116.5241 56.3955 29.1336 175.7306 24 D 4.6311 7.8924 115.4474 54.5586 38.2773 173.3949 25 K 4.8302 7.3395 115.3625 53.6301 34.7130 175.3843 26 P 4.6233 0.0000 0.0000 63.5498 32.5997 175.0490 27 T 5.0887 9.0389 118.7078 61.7608 72.1987 173.0979 28 L 5.0399 9.2721 127.1279 53.5659 44.8635 175.1318 29 I 4.6751 9.0534 129.2545 60.0594 38.8460 174.9151 30 K 4.6834 9.0046 129.7526 54.5126 33.7137 175.1201 31 F 5.2885 9.1563 126.7554 56.0165 40.6557 174.8394 32 W 4.7805 7.4254 117.3171 55.2187 31.3294 173.4096 33 A 4.2436 8.2798 122.5490 50.0971 20.4819 176.8822 34 S 3.8110 7.9364 119.4967 60.6862 63.4904 175.9012 35 W 4.7359 5.6901 118.6400 55.4404 27.1574 175.8875 36 C 5.0368 7.5633 119.9182 56.7617 35.5260 171.4670 37 P 4.3064 0.0000 0.0000 66.1995 31.1304 178.8165 38 L 4.0193 7.9328 118.9138 57.5811 41.6459 179.2507 39 C 4.2597 8.1582 116.0997 62.4004 27.8553 175.7721 40 L 3.9896 7.7491 121.5154 58.4093 41.8539 178.9831 41 S 4.2771 7.9173 114.9590 61.5234 62.7629 176.2961 42 E 3.9372 8.2346 121.8498 58.6611 28.8949 178.6716 43 L 3.7823 7.8224 119.7009 57.8612 41.6882 179.7400 44 G 3.4327 7.7761 104.0378 47.5762 0.0000 175.6288 45 Q 3.7073 7.6459 121.3865 59.0315 28.9993 177.9652 46 T 3.6592 7.9402 117.2655 66.6491 68.4556 176.0995 47 E 3.7289 7.4788 120.5061 58.9809 29.3897 178.6539 48 K 3.8833 7.5027 118.4826 59.4590 32.5672 178.5371 49 W 4.1445 8.7092 119.3708 59.5344 28.6949 178.4590 50 A 4.1216 8.1856 119.9462 54.5571 17.8729 178.7419 51 Q 4.2656 7.6419 114.2130 55.6309 29.6771 175.7699 52 D 4.4771 7.8201 121.5278 53.6549 41.9416 176.7750 53 A 4.0835 8.7424 128.0331 55.3844 18.7747 179.7819 54 K 4.0256 8.9649 117.4467 59.3920 32.1576 179.1078 55 F 4.3684 8.1637 116.1545 58.9682 38.8995 176.8015 56 S 4.6422 7.5831 113.3521 59.4422 62.6680 175.3796 57 S 4.4353 7.6243 117.0661 58.7536 63.2615 173.7141 58 A 4.8980 7.2110 121.9886 50.0894 22.2701 176.5751 59 N 4.8624 9.4075 119.1132 52.5099 38.2485 172.6482 60 L 4.8773 8.3032 124.7115 54.3902 43.1366 175.4326 61 I 4.6381 9.1793 119.6906 59.1827 41.8838 174.1408 62 T 4.8922 8.5672 113.9216 60.0905 70.7352 173.2160 63 V 4.6523 8.2425 126.2357 60.7019 34.6565 174.1275 64 A 4.1044 8.1927 126.9393 50.0824 22.5466 175.4874 65 S 5.5057 8.5207 116.9246 55.1308 62.9973 171.8431 66 P 4.9040 0.0000 0.0000 64.1261 31.1821 177.6150 67 G 3.7352 9.0087 112.7330 44.7387 0.0000 172.5050 68 F 4.8607 8.0866 122.1383 57.8187 40.6215 175.3141 69 L 3.1530 8.2267 124.2696 56.0258 38.8240 174.4306 70 H 3.9870 8.4447 113.8598 57.0646 28.1463 174.2650 71 E 4.7637 7.8518 117.8170 55.0373 31.3289 176.2223 72 K 4.2531 8.8860 120.6012 56.7238 33.0034 177.6667 73 K 4.5219 8.8150 126.0931 55.8170 33.9663 175.3841 74 D 4.7254 8.5431 123.4093 55.7327 41.3524 176.1163 75 G 4.1569 9.9106 115.5639 45.5131 0.0000 174.1578 76 D 4.8098 8.4418 118.1064 55.8066 42.4133 177.9003 77 F 4.2578 8.1962 120.8345 61.4813 39.4295 177.0211 78 Q 3.9437 8.2292 116.6300 59.1285 28.1189 178.4040 79 K 4.0686 7.9409 119.3632 58.5824 32.4863 178.7104 80 W 4.0887 8.1675 128.9654 60.7402 30.7030 177.5426 81 Y 4.2260 8.0187 119.0304 60.5084 37.9312 177.6998 82 A 3.9813 7.7548 121.1962 53.9096 18.4477 178.7176 83 G 3.8433 7.4419 101.8101 44.1739 0.0000 173.3759 84 L 4.3115 7.3211 121.5457 53.2440 43.5400 174.7524 85 N 4.4139 7.9021 118.3082 53.1597 40.5290 172.3185 86 Y 3.7820 8.0417 118.7654 57.9964 33.9048 167.8892 87 P 4.7488 0.0000 0.0000 62.4379 32.0593 178.1455 88 K 4.5449 7.9791 115.9140 57.6450 33.0377 174.6463 89 L 4.3542 7.8535 118.0205 52.6041 42.5691 176.4791 90 P 4.4894 0.0000 0.0000 61.8737 29.2634 175.5572 91 V 4.3566 7.1701 120.9827 62.1683 33.2733 175.2232 92 V 4.5006 9.0497 128.7237 61.6450 33.9218 174.8032 93 T 4.6730 8.6652 124.6728 62.4255 69.4316 174.4400 94 D 4.5607 9.0562 129.1314 52.2941 41.1996 173.8599 95 N 4.5088 8.3573 122.4865 55.3334 39.1215 174.1521 96 G 3.8755 7.8541 114.0135 44.3412 0.0000 173.0420 97 G 3.2653 7.7020 106.7874 45.6648 0.0000 175.6068 98 T 3.8950 8.0645 117.2919 65.9990 69.2275 177.0620 99 I 4.0759 8.8086 122.0488 63.4688 37.6524 177.9762 100 A 3.6015 8.0656 121.0937 55.1585 18.2742 179.3541 101 Q 3.9962 8.2355 118.3979 59.4580 28.9292 178.5303 102 S 4.2514 7.4654 115.2317 60.3770 62.8752 175.4937 103 L 4.4861 7.3447 119.2206 52.9202 42.7993 175.4862 104 N 4.0237 7.8982 116.6192 54.5196 37.6595 175.3824 105 I 3.8735 8.1842 119.0488 61.3660 36.9977 176.6204 106 S 4.5357 8.4370 119.5254 57.6942 64.5361 174.5311 107 V 4.2318 7.2248 119.3813 60.3048 34.0357 173.4300 108 Y 5.1401 8.0161 119.3953 55.9834 40.4604 173.7346 109 P 4.9892 0.0000 0.0000 61.8172 33.6241 175.1894 110 S 5.1312 8.4673 116.8192 56.7389 66.2442 173.1506 111 W 5.0793 9.6714 125.6578 55.1935 30.8427 174.8459 112 A 4.9795 9.4441 128.8033 50.3192 20.4716 175.4273 113 L 4.9269 9.1812 126.4557 54.3828 43.5582 175.2723 114 I 4.7990 9.2175 129.1526 59.5530 39.1582 176.6384 115 G 4.1353 9.5408 117.3962 44.7603 0.0000 174.3385 116 K 4.0860 8.5328 117.4898 58.9840 32.6056 177.9494 117 D 4.7263 8.1009 118.0161 54.0165 41.1985 176.1046 118 G 3.8633 8.3183 107.4757 46.5221 0.0000 173.4031 119 D 4.7998 7.7370 116.7214 50.5472 42.5393 174.8245 120 V 3.9517 8.4028 121.0864 63.5002 31.4514 174.9671 121 Q 4.4207 9.1640 129.9882 57.5458 30.2343 175.6755 122 R 4.8015 7.7671 117.0896 54.7172 34.2873 173.9713 123 I 5.0598 8.3129 123.8293 59.7483 40.9040 173.9738 124 V 4.4906 9.2030 130.0489 61.0577 34.3725 174.3302 125 K 4.7247 10.3686 127.5392 57.3863 32.5089 174.8905 126 G 4.0157 7.7746 118.1402 44.9090 0.0000 172.0819 127 S 5.1294 8.4715 121.2824 56.6752 65.8621 173.3680 128 I 4.8392 7.8613 116.1736 58.8028 39.7752 174.0196 129 N 5.2234 8.0110 116.9000 50.3646 41.4677 174.8070 130 E 3.7301 8.7418 119.9691 59.3930 29.6929 178.3481 131 A 3.9387 8.0042 120.2769 55.2615 18.4440 179.2413 132 Q 3.8550 8.8089 118.2376 59.1057 29.1000 178.2121 133 A 3.8943 8.0033 121.9340 55.1894 18.2667 179.6346 134 L 3.8377 8.0041 117.2635 57.7502 41.5768 179.6549 135 A 3.9612 7.8522 120.8924 54.9893 18.0786 179.4429 136 L 4.0334 7.7672 118.0873 58.3753 42.2117 179.0477 137 I 3.8193 7.5138 118.9990 63.8518 36.9862 178.3878 138 R 4.2450 7.3805 118.4164 57.2436 30.6922 176.5849 139 D 4.6061 8.3969 118.7991 52.1575 43.8219 173.8738 140 P 4.5080 0.0000 0.0000 64.1996 31.5282 176.5909 141 N 4.6397 8.1063 114.7307 53.4314 39.2174 176.1098 142 A 4.3122 7.4661 123.1086 51.0833 16.7515 176.7798 143 D 4.4617 7.7876 120.7888 53.7438 42.6945 176.1581 144 L 4.0011 8.4759 122.1410 55.4206 41.8814 174.6260 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 M 8.30 4.42 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 V 7.71 4.38 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 0.72 0.00 0.00 0.91 0.00 0.00 3 P 0.00 4.29 0.00 2.28 2.32 0.00 3.81 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 2.04 0.00 4 H 8.13 4.20 0.00 3.30 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.37 3.88 4.14 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 1.14 0.00 0.00 6 L 7.90 3.95 0.00 1.88 1.83 0.94 1.05 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 7 S 7.72 4.49 0.00 4.07 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 8 T 7.71 4.21 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 1.22 0.00 0.00 9 L 7.56 4.10 0.00 1.82 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.58 4.95 0.00 1.72 1.72 0.00 1.67 0.00 0.00 2.05 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 11 T 9.02 4.71 4.33 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 1.23 0.00 0.00 12 A 9.16 4.08 1.24 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 0.00 0.00 13 D 7.97 4.54 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 14 N 8.42 4.51 0.00 2.93 3.00 0.00 0.00 7.12 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 15 R 7.59 4.56 0.00 1.98 1.86 0.00 3.44 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 16 P 0.00 4.71 0.00 2.24 2.19 0.00 3.72 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 2.09 1.98 0.00 17 A 8.78 4.25 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 S 8.14 4.10 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.81 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 0.77 0.00 0.00 1.26 0.00 0.00 20 Y 8.03 4.69 0.00 2.88 2.92 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 L 7.86 4.87 0.00 1.74 1.60 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.57 4.34 0.00 1.88 1.60 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 23 K 8.96 3.96 0.00 1.95 1.92 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.42 7.81 24 D 7.89 4.63 0.00 2.79 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 25 K 7.34 4.83 0.00 1.83 1.74 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.51 7.81 26 P 0.00 4.62 0.00 2.16 2.21 0.00 3.66 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 2.23 2.02 0.00 27 T 9.04 5.09 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 1.36 0.00 0.00 28 L 9.27 5.04 0.00 1.84 1.68 1.27 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 I 9.05 4.68 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 1.08 0.00 0.00 30 K 9.00 4.68 0.00 1.21 1.23 0.00 0.88 0.00 0.00 0.96 0.00 0.00 2.40 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.48 0.21 7.81 31 F 9.16 5.29 0.00 2.95 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 32 W 7.43 4.78 0.00 3.19 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 33 A 8.28 4.24 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 34 S 7.94 3.81 0.00 2.72 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 35 W 5.69 4.74 0.00 3.45 3.21 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 36 C 7.56 5.04 0.00 3.14 2.87 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 37 P 0.00 4.31 0.00 2.36 2.36 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 38 L 7.93 4.02 0.00 1.78 1.81 0.98 0.99 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 39 C 8.16 4.26 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.99 0.00 1.97 1.94 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.92 4.28 0.00 3.86 3.89 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 42 E 8.23 3.94 0.00 2.14 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 2.13 2.45 0.00 43 L 7.82 3.78 0.00 1.94 1.68 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.78 3.43 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 0.00 45 Q 7.65 3.71 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 46 T 7.94 3.66 4.07 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 1.00 0.00 0.00 47 E 7.48 3.73 0.00 1.62 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 48 K 7.50 3.88 0.00 1.88 1.95 0.00 2.06 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 49 W 8.71 4.14 0.00 3.13 2.40 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 50 A 8.19 4.12 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 51 Q 7.64 4.27 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 52 D 7.82 4.48 0.00 2.77 2.92 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 53 A 8.74 4.08 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 54 K 8.96 4.03 0.00 1.63 1.60 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.52 7.81 55 F 8.16 4.37 0.00 3.37 3.13 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 0.00 56 S 7.58 4.64 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.44 0.00 3.89 3.89 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 58 A 7.21 4.90 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 59 N 9.41 4.86 0.00 2.77 3.15 0.00 0.00 6.95 6.81 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 60 L 8.30 4.88 0.00 1.80 1.62 1.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 I 9.18 4.64 1.71 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 1.35 0.89 0.57 0.00 0.00 62 T 8.57 4.89 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 0.82 0.00 0.00 63 V 8.24 4.65 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 0.65 0.00 0.00 0.79 0.00 0.00 64 A 8.19 4.10 -0.04 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 65 S 8.52 5.51 0.00 4.04 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 66 P 0.00 4.90 0.00 2.28 2.15 0.00 3.88 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 67 G 9.01 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 0.00 0.00 0.00 68 F 8.09 4.86 0.00 3.01 3.03 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 0.00 0.00 0.00 69 L 8.23 3.15 0.00 1.58 1.59 0.65 0.27 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 70 H 8.44 3.99 0.00 3.22 3.43 0.00 5.92 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.85 4.76 0.00 2.08 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 2.06 2.00 0.00 72 K 8.89 4.25 0.00 1.62 1.97 0.00 2.22 0.00 0.00 1.83 0.00 0.00 3.37 0.00 0.00 3.68 0.00 0.00 0.00 0.00 1.49 1.59 7.81 73 K 8.81 4.52 0.00 1.89 1.74 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.47 7.81 74 D 8.54 4.73 0.00 2.68 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 75 G 9.91 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 0.00 0.00 0.00 0.00 76 D 8.44 4.81 0.00 2.84 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 77 F 8.20 4.26 0.00 3.19 3.03 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 0.00 0.00 0.00 78 Q 8.23 3.94 0.00 2.33 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.17 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 79 K 7.94 4.07 0.00 2.03 1.95 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.67 7.81 80 W 8.17 4.09 0.00 3.68 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 81 Y 8.02 4.23 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.75 3.98 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 83 G 7.44 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 0.00 0.00 0.00 84 L 7.32 4.31 0.00 1.64 1.56 1.32 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.90 4.41 0.00 2.30 1.84 0.00 0.00 6.70 7.43 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 86 Y 8.04 3.78 0.00 3.21 2.91 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 87 P 0.00 4.75 0.00 2.20 2.12 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 88 K 7.98 4.54 0.00 1.73 1.76 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.44 7.81 89 L 7.85 4.35 0.00 1.76 1.40 1.02 1.26 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 90 P 0.00 4.49 0.00 1.73 1.52 0.00 3.37 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 91 V 7.17 4.36 1.54 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 1.15 0.00 0.00 0.47 0.00 0.00 92 V 9.05 4.50 1.97 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 0.89 0.00 0.00 0.86 0.00 0.00 93 T 8.67 4.67 4.27 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 1.40 0.00 0.00 94 D 9.06 4.56 0.00 2.71 2.65 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 95 N 8.36 4.51 0.00 2.71 2.71 0.00 0.00 7.49 7.98 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 96 G 7.85 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 97 G 7.70 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 0.00 0.00 0.00 98 T 8.06 3.90 4.20 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 1.15 0.00 0.00 99 I 8.81 4.08 2.19 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 1.03 0.00 0.00 100 A 8.07 3.60 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 0.00 101 Q 8.24 4.00 0.00 1.80 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 102 S 7.47 4.25 0.00 3.99 3.89 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 0.00 103 L 7.34 4.49 0.00 1.44 1.62 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 104 N 7.90 4.02 0.00 2.79 2.80 0.00 0.00 7.13 8.09 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 0.00 105 I 8.18 3.87 1.65 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.80 0.00 0.00 106 S 8.44 4.54 0.00 3.82 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 0.00 107 V 7.22 4.23 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 0.73 0.00 0.00 0.92 0.00 0.00 108 Y 8.02 5.14 0.00 2.89 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 0.00 109 P 0.00 4.99 0.00 2.06 1.82 0.00 4.08 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 2.36 2.06 0.00 110 S 8.47 5.13 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 9.67 5.08 0.00 3.30 3.28 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 0.00 112 A 9.44 4.98 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 0.00 113 L 9.18 4.93 0.00 1.83 1.77 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 I 9.22 4.80 2.03 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 1.21 0.55 0.95 0.00 0.00 115 G 9.54 4.14 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 0.00 116 K 8.53 4.09 0.00 2.13 2.10 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.47 7.81 117 D 8.10 4.73 0.00 2.75 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 0.00 118 G 8.32 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 0.00 0.00 0.00 119 D 7.74 4.80 0.00 2.87 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 0.00 120 V 8.40 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 0.82 0.00 0.00 0.96 0.00 0.00 121 Q 9.16 4.42 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 122 R 7.77 4.80 0.00 1.95 1.73 0.00 3.33 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 123 I 8.31 5.06 1.92 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 1.25 0.90 0.94 0.00 0.00 124 V 9.20 4.49 2.26 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 1.05 0.00 0.00 0.99 0.00 0.00 125 K 10.37 4.72 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 126 G 7.77 4.02 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 0.00 0.00 0.00 127 S 8.47 5.13 0.00 3.91 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 0.00 128 I 7.86 4.84 1.58 0.00 0.00 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 -0.30 -0.13 0.07 0.00 0.00 129 N 8.01 5.22 0.00 3.02 2.97 0.00 0.00 5.57 7.65 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 0.00 130 E 8.74 3.73 0.00 1.93 1.94 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 2.27 2.21 0.00 131 A 8.00 3.94 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 0.00 132 Q 8.81 3.86 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 133 A 8.00 3.89 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 0.00 134 L 8.00 3.84 0.00 1.80 1.65 0.85 0.43 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 0.00 135 A 7.85 3.96 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 0.00 136 L 7.77 4.03 0.00 1.72 1.85 0.93 0.96 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 0.00 137 I 7.51 3.82 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.85 0.00 0.00 138 R 7.38 4.24 0.00 1.87 1.95 0.00 3.10 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 139 D 8.40 4.61 0.00 2.55 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 0.00 0.00 0.00 0.00 140 P 0.00 4.51 0.00 2.09 2.20 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 141 N 8.11 4.64 0.00 2.87 2.85 0.00 0.00 7.38 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 0.00 142 A 7.47 4.31 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 0.00 143 D 7.79 4.46 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.48 4.00 0.00 1.80 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00