NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4883 8.1727 120.1023 56.3480 34.6867 173.4947 3 K 4.9268 9.5343 123.1300 53.8817 34.6062 172.8238 4 I 4.7287 8.8791 128.2534 59.0713 41.1323 173.1478 5 L 4.8757 8.6218 131.6768 53.7946 43.7702 174.9171 6 I 4.4891 8.6617 128.4780 59.9094 39.1068 175.0604 7 V 4.4712 8.6770 129.0736 61.5250 33.0090 174.1213 8 D 5.7982 8.6544 127.8824 53.8687 44.5457 175.5368 9 D 4.8635 9.1774 124.2081 53.7483 40.4531 176.2720 10 E 4.5341 8.6107 121.8027 54.8158 30.6953 176.4045 11 K 4.1748 8.6972 125.8352 59.1655 32.5142 176.6924 12 P 4.2633 0.0000 0.0000 65.7712 31.2560 178.5998 13 I 3.9149 7.7363 118.0661 64.1493 37.1387 178.1067 14 S 4.1313 8.3258 114.0960 61.5484 62.1432 175.9928 15 D 4.4580 8.4776 121.7159 57.4839 40.5783 178.8895 16 I 3.8321 7.7535 119.7930 64.5079 37.0813 178.6316 17 I 3.8446 8.0031 120.7156 64.1261 36.8952 178.4033 18 K 3.9352 8.4902 120.8759 59.4255 32.0461 178.2962 19 F 4.1634 8.5807 121.2305 61.8125 39.1464 176.9826 20 N 4.2420 8.4010 115.7775 56.5147 38.4748 177.5020 21 M 4.3092 8.5889 120.6476 58.5457 31.9476 178.9785 22 T 4.0507 8.3752 116.4501 66.6979 68.4470 176.8264 23 K 3.7323 7.6961 119.0213 59.2713 32.0710 178.4826 24 E 4.1419 7.7138 116.7442 56.8891 29.6197 177.5471 25 G 3.8464 7.8495 107.6647 45.0003 0.0000 173.1564 26 Y 4.6219 7.1384 116.6018 57.2484 38.9354 175.1186 27 E 4.2268 9.0738 124.5584 56.1285 31.0769 175.4021 28 V 4.8395 8.4375 126.1462 61.2043 33.8927 174.8083 29 V 4.7133 8.8168 121.0828 59.7000 34.7785 174.7588 30 T 5.0615 8.4849 112.7674 59.9290 71.7915 172.9175 31 A 4.7015 8.4541 123.7157 50.4848 22.5079 176.6561 32 F 4.8985 10.0122 117.1942 56.1767 40.5483 174.6009 33 N 4.9869 7.6768 118.2898 50.6691 41.3434 175.1730 34 G 3.9564 8.6547 108.0757 47.3272 0.0000 176.0004 35 R 3.8875 7.9806 120.5391 59.4084 30.3012 178.2502 36 E 4.0108 9.1616 118.5233 59.2312 29.3143 179.1423 37 A 3.9757 8.2251 120.9508 55.4073 18.4757 179.7827 38 L 4.1274 7.9054 117.2163 57.8754 41.6072 179.6673 39 E 3.9785 8.3228 118.5959 59.6342 29.4084 179.4632 40 Q 3.9908 8.5933 118.5056 58.7424 28.8388 178.4969 41 F 4.2276 8.5927 122.0718 61.4836 39.2158 177.1494 42 E 3.3686 7.8376 116.5478 59.1472 29.3399 178.8858 43 A 4.0817 7.9880 119.8532 54.4131 18.5951 178.6391 44 E 4.2620 8.4556 115.4487 55.2702 31.7261 176.0860 45 Q 3.3605 7.7325 116.9659 56.0981 26.6025 171.8905 46 P 4.4834 0.0000 0.0000 62.9449 32.4802 176.8233 47 D 4.6084 8.6743 119.9135 57.0225 41.5149 176.5766 48 I 4.7275 7.5112 116.7328 59.6314 41.9074 173.3333 49 I 4.9311 8.5654 127.9363 59.5741 40.4334 174.3891 50 I 4.6446 8.5325 128.2586 59.7012 39.1124 174.5519 51 L 4.9455 8.8583 129.3881 53.0532 44.8995 175.2177 52 D 5.5613 8.6188 126.5790 52.5125 40.5870 177.5656 53 L 3.8707 8.6052 120.5595 57.4794 43.0036 176.0069 54 M 4.5727 7.6284 118.5077 53.6718 31.3700 174.4471 55 L 4.8245 7.8780 123.9882 51.6805 45.7696 175.1193 56 P 4.3478 0.0000 0.0000 62.9288 31.4000 174.6979 57 E 3.9397 8.2720 117.7453 56.6203 28.8064 174.3003 58 I 4.5466 7.0220 114.9243 58.3297 41.3012 175.2693 59 D 4.9447 8.5779 127.2541 53.0966 41.3925 177.5525 60 G 3.7230 8.6921 109.1317 47.4058 0.0000 176.1515 61 L 3.9945 7.9191 120.7342 57.6173 41.6892 179.0508 62 E 3.8974 8.5331 119.3553 58.9349 29.4633 178.7884 63 V 3.4848 7.9845 118.3642 66.0605 31.5761 177.8620 64 A 3.8256 7.9881 120.2357 55.0447 18.0113 179.4472 65 K 3.8521 7.9664 117.3049 59.8425 32.4300 178.7529 66 T 4.0763 8.3430 110.4755 64.4520 68.8995 176.7405 67 I 3.2721 7.7629 122.8971 64.3696 36.9066 178.5503 68 R 4.3728 7.5877 118.0435 58.1301 29.8535 178.8267 69 K 4.1207 7.7488 118.0950 58.6359 32.0711 177.5577 70 T 4.5907 7.8611 106.4524 61.2376 70.6662 174.0814 71 S 4.6788 7.6959 116.3838 56.8393 65.4746 173.5632 72 S 4.6806 8.6776 120.6429 57.9286 63.1647 174.2184 73 V 3.6486 7.6374 120.9691 62.1868 31.4189 174.4243 74 P 4.5420 0.0000 0.0000 63.2613 32.6113 175.0061 75 I 4.7917 8.9820 124.5311 59.3781 40.3844 174.1323 76 L 4.8827 8.7993 130.3228 53.6384 43.6611 175.2382 77 M 4.7274 8.6768 126.9499 54.7105 33.8900 175.5418 78 L 5.3899 8.2498 121.4663 52.0438 45.8262 175.5341 79 S 4.8028 8.1607 115.0139 57.3847 65.1576 175.6825 80 A 4.3019 8.8691 128.2253 54.5667 18.5991 178.4473 81 K 4.2780 7.9775 116.6996 56.6948 32.4059 176.5529 82 D 4.8926 8.6063 120.9160 52.1701 40.6793 176.2038 83 S 4.4794 7.8605 114.8029 57.8416 65.2986 174.6224 84 E 3.8190 8.5889 122.3764 59.4387 29.2892 178.5237 85 F 3.9997 8.2075 120.1106 61.3363 39.4330 176.7022 86 D 4.3176 7.9542 118.5008 57.2731 40.6879 178.8297 87 K 2.6264 7.4833 118.8374 58.9906 31.9162 179.5327 88 V 3.4061 7.7430 118.6936 66.0523 31.3822 177.9381 89 I 3.5384 7.5660 118.7196 63.6118 37.7861 177.7831 90 G 3.8586 8.1016 106.7989 48.1226 0.0000 175.6054 91 L 4.2930 7.7970 123.2258 56.9243 41.4158 179.5792 92 E 4.0054 8.1367 117.6864 59.1445 29.5011 178.7050 93 L 4.2582 7.8481 116.7686 55.1089 41.8613 176.5997 94 G 3.4998 7.5434 106.7988 44.7339 0.0000 174.5166 95 A 4.0656 7.9669 124.6708 52.7002 18.8441 178.1269 96 D 4.6866 8.7841 121.1766 56.2545 41.8049 175.8493 97 D 4.6719 7.7697 116.2835 53.7356 45.0329 173.4198 98 Y 5.0094 8.3678 122.4958 56.2872 41.7692 173.9574 99 V 4.7275 8.9542 127.0233 61.2982 34.8984 174.5078 100 T 5.1270 8.6813 116.7791 60.7607 70.7522 173.8288 101 K 4.8629 8.7073 123.3396 54.4856 33.5738 175.0594 102 P 4.4810 0.0000 0.0000 62.0710 32.4682 175.1494 103 F 5.0266 7.2523 113.6532 54.5262 41.0084 175.0455 104 S 4.4568 8.5263 115.6428 57.9072 63.9177 174.7260 105 N 4.6623 8.8633 126.4624 56.6506 38.4800 177.8290 106 R 4.0031 7.9963 119.0734 59.1326 30.1758 178.5487 107 E 3.9499 8.5039 119.3378 59.0328 29.5958 178.4362 108 L 3.8514 8.0774 120.3878 58.3749 42.1457 178.8508 109 Q 4.0106 8.1727 117.5478 59.1148 28.6869 179.0086 110 A 4.0402 8.0653 121.5529 55.2799 18.3938 179.9600 111 R 3.8691 8.3612 116.9968 59.1702 30.0330 179.3215 112 V 3.4791 7.9335 118.2739 65.9381 31.4162 178.0099 113 K 3.9641 8.2179 118.9959 59.4324 31.8159 178.5518 114 A 3.9830 7.9194 120.0092 55.1156 18.7298 179.3088 115 L 4.0714 8.0577 117.4562 58.0094 41.6128 179.7457 116 L 4.0139 8.1195 119.0105 57.9395 41.3281 179.6955 117 R 3.9303 8.0796 117.2071 58.8077 30.0985 178.0592 118 R 4.3880 7.6049 115.3590 56.2158 30.4534 176.1503 119 S 4.3206 7.7357 117.8193 59.1540 63.1011 173.7071 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 2 K 8.17 4.49 0.00 2.02 2.02 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.56 7.81 3 K 9.53 4.93 0.00 1.82 1.64 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.46 7.81 4 I 8.88 4.73 1.53 0.00 0.00 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 0.97 1.42 0.86 0.00 0.00 5 L 8.62 4.88 0.00 1.81 1.49 0.90 0.78 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 6 I 8.66 4.49 1.75 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 1.02 0.48 0.81 0.00 0.00 7 V 8.68 4.47 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 0.86 0.00 0.00 0.84 0.00 0.00 8 D 8.65 5.80 0.00 2.71 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 9 D 9.18 4.86 0.00 2.90 2.96 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 10 E 8.61 4.53 0.00 2.09 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 0.00 2.30 2.37 0.00 11 K 8.70 4.17 0.00 1.88 1.83 0.00 1.95 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.76 7.81 12 P 0.00 4.26 0.00 2.22 2.10 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 13 I 7.74 3.91 2.07 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 1.57 1.22 1.15 0.00 0.00 14 S 8.33 4.13 0.00 3.96 4.19 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 0.00 0.00 0.00 0.00 15 D 8.48 4.46 0.00 3.02 2.76 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 16 I 7.75 3.83 2.10 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 1.05 0.00 0.00 17 I 8.00 3.84 1.90 0.00 0.00 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 1.41 1.00 0.85 0.00 0.00 18 K 8.49 3.94 0.00 1.94 2.14 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.50 7.81 19 F 8.58 4.16 0.00 3.23 3.31 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 20 N 8.40 4.24 0.00 2.97 3.10 0.00 0.00 7.13 7.69 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 21 M 8.59 4.31 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.90 0.00 22 T 8.38 4.05 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 1.18 0.00 0.00 23 K 7.70 3.73 0.00 1.62 1.68 0.00 1.13 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.08 0.52 7.81 24 E 7.71 4.14 0.00 2.02 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 25 G 7.85 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 0.00 0.00 0.00 26 Y 7.14 4.62 0.00 3.05 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 27 E 9.07 4.23 0.00 2.10 1.85 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 2.33 2.28 0.00 28 V 8.44 4.84 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 0.88 0.00 0.00 0.97 0.00 0.00 29 V 8.82 4.71 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 0.73 0.00 0.00 0.96 0.00 0.00 30 T 8.48 5.06 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 1.17 0.00 0.00 31 A 8.45 4.70 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 32 F 10.01 4.90 0.00 3.22 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 33 N 7.68 4.99 0.00 3.09 2.96 0.00 0.00 6.10 6.92 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 34 G 8.65 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 35 R 7.98 3.89 0.00 1.91 2.10 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 9.16 4.01 0.00 2.05 2.04 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 2.40 2.52 0.00 37 A 8.23 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 38 L 7.91 4.13 0.00 1.79 1.83 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.32 3.98 0.00 2.20 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 0.00 2.35 2.48 0.00 40 Q 8.59 3.99 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 41 F 8.59 4.23 0.00 3.07 3.34 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 42 E 7.84 3.37 0.00 2.03 1.84 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 2.14 2.41 0.00 43 A 7.99 4.08 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 44 E 8.46 4.26 0.00 2.05 1.99 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 2.25 2.47 0.00 45 Q 7.73 3.36 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 46 P 0.00 4.48 0.00 2.37 2.07 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 47 D 8.67 4.61 0.00 2.68 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 48 I 7.51 4.73 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.71 0.00 0.00 49 I 8.57 4.93 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.86 0.00 0.00 50 I 8.53 4.64 1.73 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 0.94 0.43 0.72 0.00 0.00 51 L 8.86 4.95 0.00 1.56 1.34 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.62 5.56 0.00 2.89 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 53 L 8.61 3.87 0.00 1.67 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.63 4.57 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 55 L 7.88 4.82 0.00 1.75 1.50 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.21 2.02 0.00 3.91 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 57 E 8.27 3.94 0.00 2.12 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 0.00 2.24 2.24 0.00 58 I 7.02 4.55 1.88 0.00 0.00 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 1.47 1.48 0.91 0.00 0.00 59 D 8.58 4.94 0.00 3.13 2.80 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 60 G 8.69 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.99 0.00 1.90 1.73 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.53 3.90 0.00 2.23 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 2.30 2.35 0.00 63 V 7.98 3.48 2.17 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 0.93 0.00 0.00 0.98 0.00 0.00 64 A 7.99 3.83 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 65 K 7.97 3.85 0.00 1.86 1.95 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 66 T 8.34 4.08 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 1.25 0.00 0.00 67 I 7.76 3.27 1.68 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 -0.03 0.40 0.34 0.00 0.00 68 R 7.59 4.37 0.00 1.75 1.96 0.00 3.26 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 69 K 7.75 4.12 0.00 1.83 1.89 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 70 T 7.86 4.59 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 1.27 0.00 0.00 71 S 7.70 4.68 0.00 4.13 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 72 S 8.68 4.68 0.00 4.01 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 73 V 7.64 3.65 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 0.62 0.00 0.00 1.08 0.00 0.00 74 P 0.00 4.54 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 75 I 8.98 4.79 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.90 0.81 0.00 0.00 76 L 8.80 4.88 0.00 1.58 1.40 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.68 4.73 0.00 1.45 1.76 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 78 L 8.25 5.39 0.00 1.33 1.37 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.16 4.80 0.00 3.69 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 80 A 8.87 4.30 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 81 K 7.98 4.28 0.00 1.94 2.11 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.44 7.81 82 D 8.61 4.89 0.00 2.76 2.76 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 83 S 7.86 4.48 0.00 4.16 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 84 E 8.59 3.82 0.00 2.04 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 2.38 2.34 0.00 85 F 8.21 4.00 0.00 3.20 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 86 D 7.95 4.32 0.00 2.81 2.80 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 87 K 7.48 2.63 0.00 1.61 1.46 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.34 0.66 7.81 88 V 7.74 3.41 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 0.94 0.00 0.00 0.90 0.00 0.00 89 I 7.57 3.54 1.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 0.71 0.00 0.00 90 G 8.10 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 91 L 7.80 4.29 0.00 1.80 1.71 0.90 0.86 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 92 E 8.14 4.01 0.00 1.85 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 2.43 2.42 0.00 93 L 7.85 4.26 0.00 1.70 1.68 0.90 1.17 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 94 G 7.54 3.50 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 0.00 95 A 7.97 4.07 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 96 D 8.78 4.69 0.00 2.60 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 97 D 7.77 4.67 0.00 2.67 2.43 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 98 Y 8.37 5.01 0.00 2.96 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 99 V 8.95 4.73 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 0.97 0.00 0.00 0.90 0.00 0.00 100 T 8.68 5.13 4.35 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 1.40 0.00 0.00 101 K 8.71 4.86 0.00 1.72 1.85 0.00 1.89 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.72 1.50 7.81 102 P 0.00 4.48 0.00 2.03 1.94 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 103 F 7.25 5.03 0.00 3.11 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 0.00 104 S 8.53 4.46 0.00 3.97 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 0.00 105 N 8.86 4.66 0.00 2.91 2.99 0.00 0.00 7.16 7.66 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 0.00 106 R 8.00 4.00 0.00 1.90 2.01 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 107 E 8.50 3.95 0.00 2.08 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 2.33 2.34 0.00 108 L 8.08 3.85 0.00 1.95 1.77 0.58 0.51 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 0.00 109 Q 8.17 4.01 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 110 A 8.07 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 3.87 0.00 1.94 1.95 0.00 3.13 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 112 V 7.93 3.48 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 0.75 0.00 0.00 0.81 0.00 0.00 113 K 8.22 3.96 0.00 2.07 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.64 7.81 114 A 7.92 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 0.00 115 L 8.06 4.07 0.00 1.84 1.69 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.12 4.01 0.00 1.85 1.76 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.08 3.93 0.00 2.09 2.01 0.00 3.16 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 118 R 7.60 4.39 0.00 1.96 1.92 0.00 3.24 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 119 S 7.74 4.32 0.00 3.92 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