NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5219 8.2931 120.3239 55.3792 33.9921 173.4866 2 G 4.0005 8.1803 108.6566 44.7679 0.0000 170.0709 3 H 4.6483 7.9995 118.6629 53.8027 32.3105 171.7908 4 H 4.4586 8.5904 120.2884 56.3657 27.4965 174.9556 5 H 4.8804 8.2659 126.6115 54.7371 30.2291 173.0853 6 H 4.7845 7.6346 114.3451 55.0832 29.1457 173.1216 7 H 4.8839 8.3900 122.6997 56.1483 31.3741 172.0877 8 H 4.8678 8.2276 116.5247 56.3707 36.6834 172.1755 9 L 5.0356 7.6848 118.2265 54.0823 44.0941 174.6954 10 E 4.6713 8.6544 116.8381 54.7776 33.4236 174.8038 11 E 4.9030 8.0659 121.0189 54.5433 31.9934 174.7245 12 F 4.8142 9.3214 125.8298 55.9983 42.3851 174.6086 13 T 4.9774 8.4083 118.2764 62.1166 70.4963 175.4865 14 A 3.9888 8.7800 127.7685 55.8054 18.2068 180.3927 15 E 4.0310 8.1253 114.9750 59.4877 29.9700 179.1004 16 Q 4.2805 8.0172 117.9132 58.6948 28.9543 178.0246 17 L 4.2958 8.7511 121.8155 57.9461 41.9117 178.5471 18 S 5.1496 7.8843 113.3006 59.9473 62.3400 174.9876 19 Q 4.4215 7.9470 118.2606 57.0018 29.3846 175.0093 20 Y 4.6006 8.3752 118.8100 58.2112 38.4061 176.9520 21 N 4.7276 7.6510 117.6460 53.4155 38.1891 176.3020 22 G 4.0689 8.4140 108.0665 45.4337 0.0000 174.7421 23 T 4.0542 7.1619 112.0267 63.1092 68.0119 174.7145 24 D 4.4897 7.7872 121.4655 54.3653 39.6435 175.0729 25 E 3.6247 9.0584 120.2952 56.3411 27.6475 174.3648 26 S 4.4620 7.3431 111.4497 58.5868 60.0999 171.1332 27 K 4.3348 7.4510 123.2167 54.5671 33.3184 175.0099 28 P 4.3128 0.0000 0.0000 62.8319 31.9347 176.1686 29 I 5.0410 7.7025 123.1664 59.8514 39.0871 174.3491 30 Y 5.2177 8.3146 122.6825 56.1451 42.6018 174.2786 31 V 5.0099 9.0490 122.4490 59.9014 34.4781 174.1915 32 A 5.3457 9.0322 126.5096 50.3187 22.0130 175.6601 33 I 4.4625 8.6704 121.7056 59.8446 41.0908 175.5162 34 K 3.9252 9.8754 127.5708 57.2809 30.4725 176.3702 35 G 3.8695 8.8851 105.2735 44.3777 0.0000 173.4590 36 R 4.5370 7.9976 120.0944 54.5478 31.8353 175.6595 37 V 4.4548 8.5729 126.1982 61.8768 32.7658 174.6702 38 F 5.9579 9.5880 127.3174 55.2272 41.5664 174.4886 39 D 4.9834 8.8641 122.2391 53.2761 42.4041 176.4362 40 V 4.0365 7.9275 119.3833 61.0664 32.6145 178.0612 41 T 3.9521 8.6618 113.3204 64.4085 68.8189 175.8174 42 T 4.1195 8.0192 111.6965 63.5235 69.2319 174.7272 43 G 4.5216 7.8977 112.2794 44.5378 0.0000 175.1446 44 K 3.9656 8.4791 122.6233 59.5405 32.0566 177.5942 45 S 4.1396 8.1432 113.6440 61.0470 62.9623 175.8439 46 F 4.4868 8.1958 119.8777 59.8524 38.9300 176.4197 47 Y 4.4795 8.7049 116.1118 58.2455 39.2973 176.3929 48 G 4.3726 8.1313 107.9613 43.5251 0.0000 174.1205 49 S 4.4955 7.7115 107.3676 58.9946 65.7751 174.9469 50 G 3.6276 8.4207 106.4206 46.5326 0.0000 173.9762 51 G 4.5488 7.9356 107.8080 42.9960 0.0000 174.3106 52 D 4.3757 8.4398 117.3410 55.0500 39.9296 176.4847 53 Y 4.3655 7.4568 117.6895 57.6473 38.0550 177.5746 54 S 4.5363 7.6670 117.0758 60.9621 62.5951 175.9944 55 M 4.0310 8.2225 118.3116 57.3350 32.4439 177.2298 56 F 4.2421 8.9696 117.8623 59.4019 39.8148 175.1511 57 A 4.0612 7.9637 124.4740 53.6294 18.1384 177.4098 58 G 3.8613 9.7668 112.6881 46.6707 0.0000 172.4006 59 K 4.7155 7.9115 118.5705 54.2743 35.7053 174.4072 60 D 4.8227 8.6306 123.8651 53.9681 41.4745 176.1478 61 A 4.6009 8.6316 129.0330 51.7809 19.4899 178.2178 62 S 3.8858 8.0892 116.8335 63.2312 62.7674 176.1199 63 R 3.7799 7.9208 122.3329 58.7717 29.6691 178.1785 64 A 4.2688 7.5282 121.1418 54.2133 18.1692 179.4541 65 L 3.1115 7.5985 117.4422 57.7567 41.7491 179.7835 66 G 3.7415 7.7340 104.1285 47.3601 0.0000 175.4136 67 K 4.1893 8.0569 119.6912 56.8397 32.3124 177.3444 68 M 3.2652 8.0343 117.2978 56.2703 29.5721 176.4841 69 S 4.8598 7.8144 113.0412 57.0096 65.1699 174.2040 70 K 4.4345 8.2892 120.3039 56.2889 34.2929 176.6154 71 N 4.3113 8.1218 117.1438 52.9612 36.9734 175.6414 72 E 3.9954 8.9318 123.0353 59.1783 29.8021 179.0394 73 E 3.7660 8.1129 116.9423 58.3496 29.9508 177.0254 74 D 4.4502 8.2690 118.5377 55.3121 42.1117 176.1048 75 V 3.6415 6.9996 118.9104 63.3061 31.6741 174.8362 76 S 4.5445 7.9312 119.8426 56.9117 64.8732 172.8591 77 P 5.4996 0.0000 0.0000 62.5426 30.9285 175.4515 78 S 4.7501 7.6148 112.8207 57.1019 63.9663 173.5444 79 L 4.4901 8.3665 125.8809 55.8253 43.4772 175.7365 80 E 4.5045 7.8849 120.0722 54.0468 27.8442 175.9289 81 G 4.1395 7.8248 105.4834 45.3839 0.0000 170.2616 82 L 4.5904 7.5212 118.6016 53.3589 43.6262 176.1660 83 T 4.4650 8.0254 110.5590 60.7488 72.3611 174.9207 84 E 4.0085 8.6215 119.1475 59.5858 29.1498 179.3206 85 K 3.8790 8.0219 117.7252 59.9682 32.9189 178.7769 86 E 4.1214 8.0321 119.0424 59.2771 29.6265 178.7840 87 I 3.7300 8.3170 120.0832 64.7930 37.3152 178.2106 88 N 4.3708 8.8679 117.4588 56.5574 38.3610 177.6585 89 T 4.0103 7.8148 117.0926 66.5912 68.5947 176.7227 90 L 4.3295 7.9918 121.2814 58.7477 40.5809 178.4606 91 N 5.3046 8.5178 119.7410 55.9733 38.5624 176.3773 92 D 4.2867 8.1263 119.0228 57.1559 41.4245 178.1540 93 W 4.3238 7.8538 118.6295 59.8557 29.0718 178.0449 94 E 4.0007 8.7919 118.9057 60.1756 28.7911 179.7205 95 T 3.9661 7.6046 113.5232 66.5866 68.3864 176.5723 96 K 4.1313 7.8661 120.3542 59.4712 32.2218 179.5165 97 F 3.8847 8.7055 118.1098 60.3929 38.5414 177.5178 98 E 4.5591 8.7989 117.4717 58.8222 29.3386 178.2632 99 A 4.5166 7.4882 117.9507 51.8561 19.7143 177.0713 100 K 4.0507 7.4583 114.2779 57.3788 34.1048 175.8182 101 Y 5.0966 7.7782 115.1857 55.6507 40.0440 173.8204 102 P 4.7170 0.0000 0.0000 62.2348 33.5880 175.4738 103 V 3.9881 8.3683 122.7678 62.7467 31.5410 175.5637 104 V 4.1175 9.3870 121.9715 60.5549 32.8404 177.2210 105 G 4.0434 6.7174 108.0928 45.7846 0.0000 171.2820 106 R 5.2394 7.8285 115.8745 54.3210 32.7834 175.2326 107 V 5.0680 8.2642 119.3151 60.1750 33.7643 175.4325 108 V 4.5912 9.2343 116.9547 59.6890 35.6958 175.9576 109 S 4.1257 8.3562 116.5657 58.7088 62.5093 173.6208 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 8.29 4.52 0.00 1.99 2.07 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 2.49 2.53 0.00 2 G 8.18 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 0.00 0.00 0.00 3 H 8.00 4.65 0.00 3.08 3.14 0.00 5.66 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 4 H 8.59 4.46 0.00 3.25 3.38 0.00 5.52 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.27 4.88 0.00 3.05 3.18 0.00 5.93 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.63 4.78 0.00 3.41 3.18 0.00 5.15 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.39 4.88 0.00 2.98 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.23 4.87 0.00 3.04 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.68 5.04 0.00 1.96 1.79 0.95 0.61 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 10 E 8.65 4.67 0.00 1.66 1.12 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 2.08 2.06 0.00 11 E 8.07 4.90 0.00 1.83 1.55 0.00 0.00 0.00 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 2.24 0.00 12 F 9.32 4.81 0.00 2.93 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 13 T 8.41 4.98 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 14 A 8.78 3.99 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 15 E 8.13 4.03 0.00 1.99 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 0.00 2.33 2.42 0.00 16 Q 8.02 4.28 0.00 2.48 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 17 L 8.75 4.30 0.00 1.83 1.91 0.31 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.88 5.15 0.00 4.10 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 0.00 19 Q 7.95 4.42 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.38 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 20 Y 8.38 4.60 0.00 3.29 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 21 N 7.65 4.73 0.00 2.93 3.13 0.00 0.00 6.92 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 22 G 8.41 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 0.00 0.00 0.00 0.00 23 T 7.16 4.05 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 1.28 0.00 0.00 24 D 7.79 4.49 0.00 2.77 2.50 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 25 E 9.06 3.62 0.00 2.14 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 2.20 2.21 0.00 26 S 7.34 4.46 0.00 4.09 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 27 K 7.45 4.33 0.00 1.83 1.68 0.00 1.76 0.00 0.00 1.35 0.00 0.00 3.03 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.44 1.61 7.81 28 P 0.00 4.31 0.00 2.01 1.90 0.00 3.92 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 2.31 2.21 0.00 29 I 7.70 5.04 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.97 0.00 0.00 30 Y 8.31 5.22 0.00 2.45 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 31 V 9.05 5.01 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 0.80 0.00 0.00 1.22 0.00 0.00 32 A 9.03 5.35 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 33 I 8.67 4.46 2.10 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.58 0.88 0.00 0.00 34 K 9.88 3.93 0.00 1.91 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.51 7.81 35 G 8.89 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 0.00 0.00 0.00 36 R 8.00 4.54 0.00 1.91 1.48 0.00 3.17 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 37 V 8.57 4.45 1.98 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 0.43 0.00 0.00 0.83 0.00 0.00 38 F 9.59 5.96 0.00 3.15 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 39 D 8.86 4.98 0.00 2.92 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 40 V 7.93 4.04 0.97 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 -1.02 0.00 0.00 0.48 0.00 0.00 41 T 8.66 3.95 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 1.07 0.00 0.00 42 T 8.02 4.12 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 1.26 0.00 0.00 43 G 7.90 4.52 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 0.00 44 K 8.48 3.97 0.00 1.99 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 45 S 8.14 4.14 0.00 3.53 3.65 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 46 F 8.20 4.49 0.00 3.19 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 47 Y 8.70 4.48 0.00 3.04 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 48 G 8.13 4.37 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 0.00 49 S 7.71 4.50 0.00 3.81 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 50 G 8.42 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 51 G 7.94 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.38 0.00 2.58 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 53 Y 7.46 4.37 0.00 2.22 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 0.00 0.00 0.00 0.00 54 S 7.67 4.54 0.00 4.13 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 55 M 8.22 4.03 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 56 F 8.97 4.24 0.00 3.61 3.40 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 57 A 7.96 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.77 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 59 K 7.91 4.72 0.00 1.84 1.83 0.00 1.51 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.34 7.81 60 D 8.63 4.82 0.00 2.68 2.49 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 0.00 61 A 8.63 4.60 0.58 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 0.00 0.00 62 S 8.09 3.89 0.00 4.00 4.22 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 63 R 7.92 3.78 0.00 2.11 2.08 0.00 3.14 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 64 A 7.53 4.27 1.06 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 0.00 0.00 65 L 7.60 3.11 0.00 1.56 1.33 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.73 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 67 K 8.06 4.19 0.00 1.69 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.94 7.81 68 M 8.03 3.27 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 69 S 7.81 4.86 0.00 3.78 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 70 K 8.29 4.43 0.00 1.71 1.84 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 71 N 8.12 4.31 0.00 2.85 2.98 0.00 0.00 6.26 7.63 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 72 E 8.93 4.00 0.00 2.04 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 2.41 2.35 0.00 73 E 8.11 3.77 0.00 1.94 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 0.00 2.30 2.28 0.00 74 D 8.27 4.45 0.00 2.68 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 75 V 7.00 3.64 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 0.66 0.00 0.00 0.88 0.00 0.00 76 S 7.93 4.54 0.00 3.87 3.57 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 77 P 0.00 5.50 0.00 2.20 2.09 0.00 3.36 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 78 S 7.61 4.75 0.00 3.81 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 79 L 8.37 4.49 0.00 1.68 1.65 0.90 0.82 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 80 E 7.88 4.50 0.00 1.92 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 2.26 2.29 0.00 81 G 7.82 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 82 L 7.52 4.59 0.00 1.76 1.59 0.96 0.82 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 83 T 8.03 4.47 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 1.21 0.00 0.00 84 E 8.62 4.01 0.00 2.04 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 2.41 2.38 0.00 85 K 8.02 3.88 0.00 1.92 1.96 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.55 7.81 86 E 8.03 4.12 0.00 2.30 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 2.41 2.39 0.00 87 I 8.32 3.73 2.08 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 1.61 1.00 0.93 0.00 0.00 88 N 8.87 4.37 0.00 2.79 2.91 0.00 0.00 7.38 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.81 4.01 4.65 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 1.49 0.00 0.00 90 L 7.99 4.33 0.00 1.94 1.94 0.91 0.42 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 91 N 8.52 5.30 0.00 3.04 3.05 0.00 0.00 6.75 8.54 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 92 D 8.13 4.29 0.00 2.79 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 93 W 7.85 4.32 0.00 3.71 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 94 E 8.79 4.00 0.00 2.24 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 0.00 2.42 2.69 0.00 95 T 7.60 3.97 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 1.23 0.00 0.00 96 K 7.87 4.13 0.00 2.13 1.82 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.77 1.47 7.81 97 F 8.71 3.88 0.00 2.78 2.29 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 98 E 8.80 4.56 0.00 2.17 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 2.79 2.66 0.00 99 A 7.49 4.52 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 0.00 100 K 7.46 4.05 0.00 0.79 0.91 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.19 0.72 7.81 101 Y 7.78 5.10 0.00 3.00 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 0.00 102 P 0.00 4.72 0.00 2.20 2.25 0.00 4.11 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 103 V 8.37 3.99 1.92 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 0.71 0.00 0.00 0.25 0.00 0.00 104 V 9.39 4.12 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 1.00 0.00 0.00 1.01 0.00 0.00 105 G 6.72 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 0.00 106 R 7.83 5.24 0.00 1.85 2.00 0.00 2.87 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 107 V 8.26 5.07 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 0.66 0.00 0.00 0.99 0.00 0.00 108 V 9.23 4.59 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 0.84 0.00 0.00 0.98 0.00 0.00 109 S 8.36 4.13 0.00 3.76 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