NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2458 8.1727 120.1350 56.8445 34.8681 173.8715 2 V 4.5526 8.0666 121.4167 60.8558 32.3806 174.6998 3 F 4.3808 9.3778 128.1452 57.2539 40.1927 174.9239 4 E 4.0412 8.8191 123.5768 55.9754 30.6297 176.8708 5 R 3.4136 9.0399 124.4390 60.5171 29.9746 179.4833 6 C 4.3165 8.2150 115.2198 59.7477 41.3947 175.5934 7 E 3.8976 8.2119 120.8665 59.2321 29.1272 178.7138 8 L 3.6158 8.0547 119.9717 57.9236 42.0910 178.5625 9 A 3.9335 7.7827 120.6910 55.5107 18.3348 179.8970 10 R 3.9079 8.0125 116.3496 59.5616 29.9457 179.4812 11 T 3.8791 7.9304 115.6194 66.6910 68.4791 176.7582 12 L 3.8837 8.1049 121.2090 57.3561 41.5736 179.4553 13 K 3.9163 8.0304 119.7083 59.6879 31.9712 179.0446 14 R 3.9696 7.8008 116.9399 58.9452 29.9919 178.0223 15 L 4.4304 7.3332 116.1037 54.2092 41.7011 177.1070 16 G 3.8861 7.9253 106.8135 46.6582 0.0000 175.1790 17 M 3.9203 7.9527 121.6482 56.8148 32.2350 175.5808 18 D 4.5471 7.9866 117.4564 56.0334 40.9123 175.6393 19 G 3.9435 9.4537 115.5662 45.4554 0.0000 171.2044 20 Y 4.1152 8.3623 121.9240 58.9338 39.1108 176.6313 21 R 3.4447 8.9270 127.3330 57.2347 27.8186 177.1410 22 G 3.7998 8.1350 103.6556 45.4681 0.0000 173.7266 23 I 4.0870 7.6482 122.0890 59.1860 37.7126 175.7607 24 S 4.5682 8.3334 121.1201 57.9925 64.8208 174.6202 25 L 4.2126 8.6086 124.6004 58.7419 41.7785 179.4427 26 A 4.1863 8.1504 119.9710 55.3298 18.3496 179.1929 27 N 4.4288 8.0884 115.2349 56.2971 38.5620 177.7254 28 W 4.2861 7.9450 120.2900 59.8145 29.0474 178.5334 29 M 4.1357 8.6344 119.1544 58.5991 31.4893 177.7269 30 C 3.2103 7.9814 118.5593 59.3450 42.2417 175.2943 31 L 3.9676 8.0816 121.3644 58.3658 41.7076 178.8409 32 A 4.3201 8.2748 121.9274 54.3886 18.3023 179.4815 33 K 2.8016 8.3330 118.4348 59.2850 32.0371 179.0536 34 W 4.3272 7.7678 117.3115 59.0780 29.1434 178.4312 35 E 4.3242 8.5269 118.9566 58.8840 29.1243 177.9854 36 S 4.5309 7.6635 107.9173 56.4694 65.0249 173.8529 37 G 3.4544 8.4308 109.0201 46.9961 0.0000 173.3688 38 Y 3.6500 7.7212 112.7519 58.6473 34.9186 168.7178 39 N 5.2804 7.8294 119.2104 51.9222 39.9023 175.5579 40 T 4.0455 8.9589 117.9638 63.8770 69.1202 175.9631 41 R 4.4142 8.0813 116.7558 55.7149 30.2725 176.2991 42 A 4.2907 7.6709 121.8375 52.7658 19.2304 176.8825 43 T 5.0430 8.4445 111.6232 59.8989 72.4230 173.1603 44 N 4.8704 8.6602 121.6314 52.2675 42.0964 172.6032 45 Y 4.6018 8.7752 128.1396 57.6033 40.7502 173.9450 46 N 4.7211 8.5828 124.7529 51.1390 38.6897 175.2473 47 A 3.6135 8.3332 127.6613 54.8034 18.9094 179.3530 48 G 3.6790 8.0063 104.2390 48.1454 0.0000 174.0640 49 D 4.7229 7.5314 115.5382 52.2202 39.9360 176.0850 50 R 3.9975 8.0920 115.7761 57.0783 28.1629 175.7898 51 S 4.9149 7.5726 113.4909 57.1739 66.2670 172.8409 52 T 5.1308 8.7836 115.4542 61.9566 72.8098 172.8671 53 D 5.5693 8.9531 124.6455 52.9952 43.7052 174.9967 54 Y 4.9459 9.1268 120.3689 57.5247 41.4800 177.1641 55 G 4.6331 9.4524 112.5820 46.3688 0.0000 173.4423 56 I 3.7084 8.1773 117.0004 63.3349 38.0585 178.0210 57 F 4.9192 7.9618 115.8481 56.4402 39.9286 175.1434 58 Q 3.6908 7.9411 119.2536 57.1093 26.6289 174.1776 59 I 4.3710 8.0838 118.6421 61.1999 39.3237 176.6470 60 N 5.5441 9.1628 125.7922 52.7939 40.0005 175.8371 61 S 4.5151 9.0778 120.6762 61.0232 63.3406 175.5189 62 R 3.7043 8.7564 122.3462 58.6213 30.3196 177.7578 63 Y 4.2370 7.6423 114.8943 57.9579 40.5255 176.8863 64 W 4.8918 8.0682 118.4484 57.5565 31.4790 174.0366 65 C 5.6320 8.1555 111.3305 53.7021 45.9434 172.9205 66 N 5.0163 8.9955 119.3161 52.1341 39.9709 174.8352 67 D 4.8866 8.7792 123.7031 52.4160 40.4325 176.9724 68 G 4.1129 8.4715 109.0312 45.6806 0.0000 174.7559 69 K 4.4788 8.0868 115.8795 56.5619 32.7215 175.6176 70 T 4.6660 7.6927 117.6312 61.1352 69.9113 172.1453 71 P 4.2498 0.0000 0.0000 63.7032 32.0068 176.2612 72 G 3.8326 8.7727 107.5690 46.3196 0.0000 173.4512 73 A 4.3270 7.4147 119.7629 51.6987 19.2645 177.8017 74 V 4.3608 7.9857 112.6918 59.2393 35.5663 175.9824 75 N 5.0407 8.0281 116.6281 52.5142 37.6857 174.4787 76 A 4.2269 8.9112 122.9722 54.3854 19.2778 178.6339 77 C 4.4631 8.7627 111.4739 56.1731 40.8074 173.5159 78 H 4.0318 7.8217 114.4372 56.5107 27.5330 174.1234 79 L 4.8669 8.1694 117.1397 53.3206 46.3194 176.8493 80 S 4.5606 8.3809 115.3102 58.3250 63.0973 176.0678 81 C 4.0530 8.6565 124.5193 59.7577 37.6775 176.2697 82 S 3.9114 7.7979 114.4695 61.5083 61.6229 176.1094 83 A 4.1312 7.8071 122.0930 54.3896 18.4172 177.9194 84 L 4.4857 7.8824 116.6934 54.9344 41.7632 177.5480 85 L 4.9947 7.7762 117.0233 54.4751 42.4912 176.8285 86 Q 4.3016 7.8985 117.6904 55.5405 29.4372 176.0459 87 D 4.4365 8.6358 120.6068 57.2905 41.1096 176.9303 88 N 4.5609 8.0549 117.9774 53.3319 39.3836 174.6513 89 I 4.2584 8.4115 118.5574 60.9328 37.9728 177.0558 90 A 3.9348 8.5841 125.1965 55.9703 18.1630 180.0855 91 D 4.2629 8.0992 116.4812 57.4213 40.9008 178.7164 92 A 4.0761 7.9649 120.8330 55.1834 18.3642 179.7258 93 V 3.4179 8.2390 116.9576 65.9404 31.7081 177.9938 94 A 3.8147 8.1083 120.7633 55.4023 18.0990 178.8629 95 C 4.2108 8.4116 116.7174 59.5977 37.9732 175.5163 96 A 3.9391 8.3578 122.8962 55.1043 17.6111 179.7239 97 K 3.7624 7.7495 116.3259 59.4231 32.3936 179.1987 98 R 4.0428 7.7799 118.6368 59.3082 30.1312 178.3612 99 V 2.2260 7.4426 118.2738 65.8913 31.1021 177.9012 100 V 3.9442 7.3315 107.5453 62.3495 31.7134 177.9623 101 R 4.1691 7.7431 117.7576 57.3103 30.4332 176.4418 102 D 4.7723 7.4047 119.0189 52.5775 42.0625 175.4659 103 P 4.2563 0.0000 0.0000 66.0639 31.4897 178.3341 104 Q 4.0235 8.1921 116.5866 56.7473 29.9875 177.3640 105 G 3.6229 7.9352 107.2386 46.3041 0.0000 176.0712 106 I 3.7593 7.7321 120.9204 63.0282 37.9981 177.9088 107 R 4.1091 7.2166 118.1239 58.4909 30.0467 177.5227 108 A 4.0669 7.6184 120.8644 54.5102 18.6104 177.7728 109 W 4.6352 8.1228 117.2396 55.8007 29.6424 177.6049 110 V 3.7595 8.7518 123.7549 65.9207 31.0059 177.5416 111 A 4.0597 8.3364 120.2627 54.8571 18.0808 179.2703 112 W 4.0214 8.3400 126.4488 60.6651 30.6056 178.3396 113 R 4.1235 8.2091 117.6538 58.8279 29.6447 178.3609 114 N 4.3558 8.0602 114.7924 55.6703 38.6867 176.8296 115 R 4.0744 7.6145 115.7111 55.8302 31.9022 176.0052 116 C 4.5530 7.1693 113.9452 57.8777 38.2023 174.2702 117 Q 3.2255 6.8539 120.9007 56.9852 28.8014 175.9230 118 N 4.2979 8.6096 120.1457 54.0815 36.1817 173.8569 119 R 4.4710 7.2874 115.8626 54.1208 32.7147 175.5997 120 D 4.5666 8.4453 119.1678 54.1096 40.8315 175.9460 121 V 4.6091 8.2051 119.1057 61.2095 32.3850 178.2918 122 R 4.0760 8.2810 122.4138 59.1473 29.8080 179.0348 123 Q 3.9937 8.0672 115.6933 59.1657 28.6318 178.2286 124 Y 4.1591 7.5859 115.2954 60.1919 38.0235 177.2325 125 V 4.3285 7.6829 110.3863 60.5548 32.7483 175.2188 126 Q 4.0107 7.5814 121.9378 57.6590 29.0034 176.7735 127 G 3.9728 8.9826 113.0859 45.9104 0.0000 174.2735 128 C 4.4620 7.9320 115.7935 56.5484 40.6925 173.7483 129 G 3.8137 8.1043 107.2438 47.0018 0.0000 174.1721 130 V 4.0168 7.8683 117.8331 61.1062 32.1793 175.9158 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 K 8.17 4.25 0.00 1.65 2.08 0.00 1.07 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.22 7.81 2 V 8.07 4.55 2.09 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.38 4.38 0.00 2.85 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 4 E 8.82 4.04 0.00 1.97 1.82 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 2.32 2.41 0.00 5 R 9.04 3.41 0.00 1.98 1.90 0.00 3.48 0.00 0.00 3.45 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 6 C 8.22 4.32 0.00 3.00 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 7 E 8.21 3.90 0.00 2.02 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 0.00 2.44 2.35 0.00 8 L 8.05 3.62 0.00 1.43 1.44 -0.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.78 3.93 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 10 R 8.01 3.91 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.93 3.88 4.25 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 1.23 0.00 0.00 12 L 8.10 3.88 0.00 1.73 1.57 0.90 0.71 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 13 K 8.03 3.92 0.00 1.95 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 R 7.80 3.97 0.00 2.00 1.97 0.00 3.20 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 L 7.33 4.43 0.00 1.58 1.57 0.87 1.31 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 16 G 7.93 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 0.00 0.00 0.00 17 M 7.95 3.92 0.00 1.34 2.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 18 D 7.99 4.55 0.00 2.68 2.69 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 19 G 9.45 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 0.00 0.00 0.00 20 Y 8.36 4.12 0.00 3.38 3.23 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 21 R 8.93 3.44 0.00 1.76 1.78 0.00 3.19 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.00 22 G 8.14 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 0.00 0.00 0.00 23 I 7.65 4.09 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.67 -0.22 0.00 0.00 24 S 8.33 4.57 0.00 4.11 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 25 L 8.61 4.21 0.00 2.05 1.83 1.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 4.19 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 27 N 8.09 4.43 0.00 2.73 2.77 0.00 0.00 7.10 7.58 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 28 W 7.95 4.29 0.00 3.52 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 29 M 8.63 4.14 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.94 0.00 30 C 7.98 3.21 0.00 2.60 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 31 L 8.08 3.97 0.00 1.87 1.83 0.41 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.27 4.32 1.51 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 33 K 8.33 2.80 0.00 1.65 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.61 1.42 7.81 34 W 7.77 4.33 0.00 3.32 3.23 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 35 E 8.53 4.32 0.00 2.03 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 2.59 2.44 0.00 36 S 7.66 4.53 0.00 4.05 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 37 G 8.43 3.45 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 0.00 38 Y 7.72 3.65 0.00 3.21 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 39 N 7.83 5.28 0.00 2.82 2.87 0.00 0.00 7.02 7.35 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 40 T 8.96 4.05 4.44 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 1.45 0.00 0.00 41 R 8.08 4.41 0.00 1.99 2.10 0.00 3.08 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 42 A 7.67 4.29 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 43 T 8.44 5.04 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 1.29 0.00 0.00 44 N 8.66 4.87 0.00 2.84 2.74 0.00 0.00 6.94 7.58 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 45 Y 8.78 4.60 0.00 3.02 2.82 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 46 N 8.58 4.72 0.00 2.61 2.58 0.00 0.00 6.98 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 47 A 8.33 3.61 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 48 G 8.01 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 0.00 0.00 0.00 49 D 7.53 4.72 0.00 2.69 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 50 R 8.09 4.00 0.00 2.05 2.20 0.00 3.13 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 51 S 7.57 4.91 0.00 3.81 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 52 T 8.78 5.13 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 0.72 0.00 0.00 53 D 8.95 5.57 0.00 2.70 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 54 Y 9.13 4.95 0.00 3.05 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 55 G 9.45 4.63 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 56 I 8.18 3.71 1.64 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.20 -0.13 0.00 0.00 57 F 7.96 4.92 0.00 3.24 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 58 Q 7.94 3.69 0.00 2.57 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.28 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 59 I 8.08 4.37 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.02 1.13 0.00 0.00 60 N 9.16 5.54 0.00 3.09 3.02 0.00 0.00 7.00 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 61 S 9.08 4.52 0.00 4.04 4.34 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 62 R 8.76 3.70 0.00 1.49 0.93 0.00 2.63 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 63 Y 7.64 4.24 0.00 1.48 1.79 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 64 W 8.07 4.89 0.00 3.59 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 65 C 8.16 5.63 0.00 3.07 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 66 N 9.00 5.02 0.00 2.85 2.70 0.00 0.00 7.05 9.28 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 67 D 8.78 4.89 0.00 2.83 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 68 G 8.47 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 69 K 8.09 4.48 0.00 1.91 1.90 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.46 7.81 70 T 7.69 4.67 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 1.21 0.00 0.00 71 P 0.00 4.25 0.00 2.16 2.05 0.00 3.91 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 1.97 1.97 0.00 72 G 8.77 3.83 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 0.00 0.00 0.00 73 A 7.41 4.33 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 74 V 7.99 4.36 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 0.59 0.00 0.00 0.87 0.00 0.00 75 N 8.03 5.04 0.00 2.77 2.63 0.00 0.00 6.95 7.94 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 76 A 8.91 4.23 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 C 8.76 4.46 0.00 3.18 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 78 H 7.82 4.03 0.00 3.34 3.41 0.00 5.50 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.17 4.87 0.00 1.71 1.54 0.94 0.66 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 80 S 8.38 4.56 0.00 3.83 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 81 C 8.66 4.05 0.00 2.22 1.18 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 82 S 7.80 3.91 0.00 3.89 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 83 A 7.81 4.13 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 84 L 7.88 4.49 0.00 1.92 1.81 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.78 4.99 0.00 1.79 1.71 1.13 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.90 4.30 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.30 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 87 D 8.64 4.44 0.00 2.63 2.69 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 88 N 8.05 4.56 0.00 2.69 2.74 0.00 0.00 6.93 7.95 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 89 I 8.41 4.26 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.93 0.00 0.00 90 A 8.58 3.93 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 91 D 8.10 4.26 0.00 2.71 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 92 A 7.96 4.08 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 93 V 8.24 3.42 2.19 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 0.77 0.00 0.00 0.88 0.00 0.00 94 A 8.11 3.81 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 95 C 8.41 4.21 0.00 3.10 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 96 A 8.36 3.94 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 97 K 7.75 3.76 0.00 1.56 1.32 0.00 1.27 0.00 0.00 0.77 0.00 0.00 2.41 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.78 4.04 0.00 1.97 2.10 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 99 V 7.44 2.23 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 -0.35 0.00 0.00 -0.64 0.00 0.00 100 V 7.33 3.94 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 0.99 0.00 0.00 1.41 0.00 0.00 101 R 7.74 4.17 0.00 2.07 2.05 0.00 3.24 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.10 0.00 102 D 7.40 4.77 0.00 3.13 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 0.00 103 P 0.00 4.26 0.00 2.01 2.11 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 104 Q 8.19 4.02 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.94 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.73 3.76 1.04 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.80 -0.67 0.00 0.00 107 R 7.22 4.11 0.00 1.95 2.04 0.00 3.23 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.54 0.00 108 A 7.62 4.07 0.86 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 0.00 109 W 8.12 4.64 0.00 3.45 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 0.00 110 V 8.75 3.76 2.18 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 1.06 0.00 0.00 1.01 0.00 0.00 111 A 8.34 4.06 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 0.00 112 W 8.34 4.02 0.00 3.42 3.46 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 0.00 113 R 8.21 4.12 0.00 2.06 2.01 0.00 3.40 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 114 N 8.06 4.36 0.00 2.67 2.70 0.00 0.00 6.93 7.11 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 0.00 115 R 7.61 4.07 0.00 1.18 0.66 0.00 2.21 0.00 0.00 2.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.00 116 C 7.17 4.55 0.00 1.78 2.69 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 0.00 117 Q 6.85 3.23 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.24 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 118 N 8.61 4.30 0.00 2.79 2.82 0.00 0.00 6.86 7.59 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 0.00 119 R 7.29 4.47 0.00 1.86 1.80 0.00 3.10 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 120 D 8.45 4.57 0.00 2.62 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 0.00 121 V 8.21 4.61 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 0.95 0.00 0.00 1.05 0.00 0.00 122 R 8.28 4.08 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 123 Q 8.07 3.99 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.59 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 124 Y 7.59 4.16 0.00 3.26 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 0.00 125 V 7.68 4.33 2.14 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 1.04 0.00 0.00 1.04 0.00 0.00 126 Q 7.58 4.01 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 127 G 8.98 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 0.00 128 C 7.93 4.46 0.00 2.95 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 0.00 129 G 8.10 3.81 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 0.00 0.00 0.00 130 V 7.87 4.02 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 0.75 0.00 0.00 0.96 0.00 0.00