NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5929 8.3649 120.1974 54.3033 41.1066 174.7084 2 C 4.7659 8.1121 122.1984 53.7212 38.9218 172.0271 3 S 4.2959 8.1857 115.0317 57.8803 63.4799 172.7466 4 S 4.2914 8.4346 118.0022 59.7276 62.4083 174.4326 5 G 3.9362 9.0175 114.2758 45.3847 0.0000 172.7966 6 W 4.8575 7.9959 118.5378 54.9319 31.5063 175.5518 7 S 5.0485 9.4496 119.6058 57.2370 64.8376 173.5598 8 S 5.3766 8.7268 119.6316 57.9842 64.8196 173.6797 9 Y 4.0403 9.2966 122.4882 57.7528 41.1528 174.3826 10 E 3.2844 9.0073 128.9489 57.4889 26.9037 174.8988 11 G 3.9143 8.2315 100.8248 46.7972 0.0000 173.3521 12 H 5.1472 8.0502 114.6965 53.8395 33.3119 171.8785 13 C 5.7718 8.4672 117.7643 55.7676 39.7618 172.4890 14 Y 5.7199 9.6114 119.1757 56.6879 42.6793 174.3313 15 K 4.2383 8.6099 122.4692 54.9982 35.9493 174.6922 16 V 4.3002 7.8195 127.5274 61.8628 32.9207 174.6860 17 F 4.4693 8.5444 127.0434 55.5103 40.5033 176.9727 18 K 4.0260 8.6557 123.0992 58.1969 32.1509 177.6296 19 Q 4.0743 7.7724 119.1951 55.8475 29.2107 175.0109 20 S 5.0151 8.5040 118.8291 58.0052 63.7806 173.7220 21 K 4.8544 9.2074 123.3943 54.5149 36.9403 176.0904 22 T 5.4811 8.3369 112.0580 60.9613 70.1408 175.1470 23 W 2.7828 8.2716 131.2293 60.1101 30.3619 177.9138 24 A 4.0963 7.9048 119.9956 55.4944 17.8631 179.2581 25 D 4.1902 7.7745 116.9890 57.1800 40.8240 178.8655 26 A 2.8377 7.6448 121.5203 54.5190 18.3279 179.2452 27 E 3.4162 7.4023 117.6125 59.3841 29.4268 179.1796 28 S 4.0016 7.4592 113.6262 61.4394 63.2079 175.9472 29 F 4.0442 8.2139 123.5590 61.7529 38.8333 176.5387 30 C 4.3663 8.1898 116.0179 60.2653 39.8121 176.1305 31 T 3.9062 7.4835 110.5766 63.0721 68.5070 175.7726 32 K 4.2233 7.5037 119.6135 56.9152 32.7611 178.0259 33 Q 4.1273 7.6490 117.8672 57.0210 29.7063 176.1430 34 V 4.2485 6.6527 110.8786 58.7190 35.5084 174.5192 35 N 4.3318 8.4502 119.6493 54.9059 38.3405 175.2977 36 G 3.8093 8.8755 111.3083 45.8847 0.0000 173.2701 37 G 3.7816 7.6274 106.7474 46.1795 0.0000 172.9945 38 H 5.0408 8.7179 117.9307 54.1633 34.1395 172.9814 39 L 4.6746 8.6987 120.2402 54.5423 42.1705 178.1549 40 V 3.9172 8.9428 122.4809 62.3882 32.5063 175.4751 41 S 4.8098 9.0516 118.4099 56.6776 63.4940 174.5135 42 I 4.2701 8.2146 127.6340 60.7590 35.5456 175.4842 43 E 4.6675 9.3547 123.0109 55.9653 29.9655 176.7562 44 S 4.6797 7.6652 113.0091 56.2482 66.6095 175.7531 45 S 4.2352 8.7209 117.1226 61.8855 61.9658 176.7795 46 G 3.8156 8.1098 109.0127 47.1896 0.0000 175.1401 47 E 3.6677 8.4125 121.2785 58.8775 29.6257 178.6511 48 A 4.0698 8.4862 121.2450 55.3039 18.4637 179.3126 49 D 4.3424 8.1991 117.1995 57.4669 40.8739 178.7053 50 F 3.8819 8.1408 121.2679 61.3783 39.2415 177.3404 51 V 3.1732 8.0324 118.2662 65.5948 31.2618 178.1848 52 G 3.5379 8.2115 105.8899 47.9628 0.0000 175.7858 53 Q 3.9467 7.6733 119.5426 58.2809 28.4298 178.1634 54 L 3.7286 7.5511 121.6875 58.0272 41.9402 179.2101 55 I 3.3225 7.5431 119.5938 64.1344 36.7552 178.2047 56 A 3.9014 7.3401 120.1012 55.0999 18.1200 179.3521 57 Q 3.9967 7.3896 115.0567 58.0930 28.8104 177.1662 58 K 4.1880 7.6852 117.2771 56.7356 33.8486 176.3027 59 I 4.2504 7.6472 120.2728 59.8039 37.6704 175.5176 60 K 4.5498 8.4874 123.3331 55.9352 33.8957 176.4434 61 S 4.3454 7.9655 113.3230 57.8161 62.9940 173.3131 62 A 4.5584 8.2990 127.0049 52.0330 19.7506 177.8672 63 K 4.1685 7.8844 115.1558 57.6452 32.3845 176.2852 64 I 4.5416 7.4080 110.6461 58.9329 40.5966 172.8548 65 H 5.0376 7.9533 115.1853 53.8144 32.0061 172.8075 66 V 4.4927 8.5437 118.3753 60.5892 33.2932 174.8448 67 W 5.2977 9.2703 129.2318 57.0734 30.2086 175.3772 68 I 4.8690 9.0087 116.8664 58.3567 40.8344 176.5213 69 G 4.0360 8.9660 108.8723 46.1366 0.0000 172.7596 70 L 4.7161 7.8775 122.5544 53.1748 43.7829 175.3725 71 R 4.7951 8.2346 124.5807 54.6722 33.4199 173.5692 72 A 4.3392 8.3262 127.0597 51.0981 18.9067 177.9513 73 Q 3.9321 8.7236 122.2672 58.2200 29.3721 176.8526 74 N 4.2542 8.0340 114.5248 53.8692 38.8944 175.0959 75 K 4.0872 8.4974 121.5892 58.3268 32.7551 177.4605 76 E 4.1865 7.7861 115.6997 55.6965 30.2037 177.0983 77 K 3.7634 8.3572 119.3803 58.5488 32.3475 177.3906 78 Q 4.5550 7.6078 113.9815 54.3568 31.4046 173.6178 79 C 4.6890 8.2941 115.8369 59.4946 30.5632 174.2866 80 S 3.7542 8.7575 118.5804 59.0301 60.3665 171.7609 81 I 4.4962 7.1113 110.9192 59.1116 39.6699 173.8093 82 E 4.7257 8.1006 119.4219 53.9553 33.2935 175.6130 83 W 4.3661 8.8443 119.7210 56.4630 29.4946 178.0019 84 S 4.3287 8.9732 114.7817 60.3229 62.3891 174.5601 85 D 4.6572 7.9524 119.4269 52.6790 40.2079 176.3306 86 G 4.2068 8.3467 109.3817 46.1337 0.0000 175.0672 87 S 4.3221 8.7552 114.8745 58.0619 63.5350 174.2471 88 S 4.7091 8.4345 117.2190 57.7989 63.8959 174.1086 89 I 4.4218 8.1760 122.3480 60.8899 36.2913 175.7380 90 S 4.5865 8.9631 119.8477 59.9265 64.2089 174.3113 91 Y 4.6843 7.9576 121.0393 56.2024 39.6470 174.0565 92 E 4.5044 7.4539 123.5542 55.2262 33.8090 175.0890 93 N 4.8429 7.7295 120.0335 52.0502 39.1389 174.7726 94 W 4.3131 8.0803 116.9365 56.5006 30.2426 176.3632 95 I 4.1672 8.5021 123.2971 60.5352 37.7213 176.5532 96 E 3.8561 9.0754 125.0934 59.8309 29.3573 178.8328 97 E 2.7757 7.6939 114.5045 57.2654 29.5782 177.0040 98 E 4.2738 8.0922 118.1888 56.3742 29.9919 176.0015 99 S 4.1039 7.6407 115.4453 56.9898 62.2586 172.9718 100 K 4.8349 8.2001 128.9531 54.8056 31.3269 175.9171 101 K 4.4130 7.9657 117.9295 56.0438 33.9320 176.0745 102 C 5.0381 8.1294 118.1951 54.9780 39.4766 173.1004 103 L 5.5137 8.6922 122.5918 53.7687 44.1390 175.6707 104 G 4.8246 9.3037 107.5835 45.6980 0.0000 171.9223 105 V 5.3408 9.0241 113.1200 59.7799 35.0562 174.6918 106 H 5.1181 8.5803 121.7993 54.0456 33.2127 174.3071 107 I 2.1133 7.3792 122.3589 63.4161 37.8888 177.5048 108 E 4.1170 7.8526 117.9785 57.9894 29.4442 177.1364 109 T 4.3920 7.5162 107.4071 60.7522 69.2496 174.2156 110 G 3.7968 8.1260 108.9038 46.7199 0.0000 173.8615 111 F 3.9589 7.7255 115.2223 59.0848 36.8359 176.1068 112 H 4.8018 8.2852 116.1809 57.4621 30.2329 175.9928 113 K 4.0399 7.9597 117.5835 56.0765 32.3367 176.6518 114 W 4.8981 8.7532 124.2466 56.7834 29.5831 175.4873 115 E 4.6973 9.4900 125.2041 54.4565 32.2563 174.9964 116 N 5.1015 8.1833 119.7654 52.7348 39.6734 174.6652 117 F 5.1918 9.4206 122.0070 55.3847 43.6893 173.9057 118 Y 4.9495 8.8916 121.8577 57.4389 39.4630 177.9203 119 C 4.1032 8.7000 124.5192 59.8451 40.4946 174.6834 120 E 4.1508 6.2458 117.0668 56.2836 29.1121 176.2547 121 Q 4.5038 7.7964 117.9502 55.3999 29.9540 174.5070 122 Q 5.2326 8.4409 118.5820 54.6286 30.6736 174.8321 123 D 4.6564 9.2126 122.7867 51.9705 46.2849 172.9665 124 P 5.1329 0.0000 0.0000 62.6872 33.0748 175.0038 125 F 5.4728 8.1213 114.6944 56.3257 42.0656 173.0662 126 V 4.9531 8.4998 117.8269 61.5033 34.5118 173.5404 127 C 5.6278 9.3058 124.9327 55.6724 39.1155 172.3898 128 E 5.3252 9.5096 121.8576 54.6696 33.3103 175.1695 129 A 4.2001 8.5408 126.2184 52.2646 19.0938 175.9137 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 D 8.36 4.59 0.00 2.64 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 2 C 8.11 4.77 0.00 3.18 3.02 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 3 S 8.19 4.30 0.00 3.49 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 4 S 8.43 4.29 0.00 3.93 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 5 G 9.02 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 6 W 8.00 4.86 0.00 3.33 3.29 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 7 S 9.45 5.05 0.00 4.02 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 8 S 8.73 5.38 0.00 3.83 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 9 Y 9.30 4.04 0.00 1.43 2.22 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 10 E 9.01 3.28 0.00 1.81 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 1.47 1.68 0.00 11 G 8.23 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 0.00 0.00 0.00 12 H 8.05 5.15 0.00 3.38 2.82 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.47 5.77 0.00 2.82 3.20 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 0.00 14 Y 9.61 5.72 0.00 3.08 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 15 K 8.61 4.24 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.30 0.61 7.81 16 V 7.82 4.30 1.76 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 0.58 0.00 0.00 0.67 0.00 0.00 17 F 8.54 4.47 0.00 1.51 2.21 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 18 K 8.66 4.03 0.00 1.65 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.28 7.81 19 Q 7.77 4.07 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 20 S 8.50 5.02 0.00 3.75 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 21 K 9.21 4.85 0.00 1.39 1.42 0.00 0.95 0.00 0.00 1.34 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.31 7.81 22 T 8.34 5.48 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 1.25 0.00 0.00 23 W 8.27 2.78 0.00 1.78 2.46 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 24 A 7.90 4.10 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 25 D 7.77 4.19 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 2.84 0.44 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 0.00 0.00 27 E 7.40 3.42 0.00 1.16 1.65 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 2.08 2.21 0.00 28 S 7.46 4.00 0.00 3.94 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 29 F 8.21 4.04 0.00 3.04 2.97 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 30 C 8.19 4.37 0.00 3.13 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 31 T 7.48 3.91 4.10 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 1.19 0.00 0.00 32 K 7.50 4.22 0.00 1.61 1.71 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.50 7.81 33 Q 7.65 4.13 0.00 2.15 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 1.79 2.26 0.00 34 V 6.65 4.25 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 -0.40 0.00 0.00 0.75 0.00 0.00 35 N 8.45 4.33 0.00 2.58 2.70 0.00 0.00 6.98 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 36 G 8.88 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 37 G 7.63 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 0.00 0.00 0.00 38 H 8.72 5.04 0.00 3.06 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.70 4.67 0.00 1.31 1.59 -0.52 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.94 3.92 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 1.01 0.00 0.00 1.31 0.00 0.00 41 S 9.05 4.81 0.00 4.04 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 42 I 8.21 4.27 2.23 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 1.25 0.00 0.00 43 E 9.35 4.67 0.00 2.21 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 2.40 2.36 0.00 44 S 7.67 4.68 0.00 4.10 4.03 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 45 S 8.72 4.24 0.00 3.95 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 46 G 8.11 3.82 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 0.00 0.00 0.00 47 E 8.41 3.67 0.00 2.38 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 0.00 2.48 2.59 0.00 48 A 8.49 4.07 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 49 D 8.20 4.34 0.00 3.01 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 50 F 8.14 3.88 0.00 2.34 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.17 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 0.99 0.00 0.00 0.87 0.00 0.00 52 G 8.21 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.67 3.95 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 54 L 7.55 3.73 0.00 0.89 1.29 0.68 1.03 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 55 I 7.54 3.32 1.27 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.40 -0.45 0.00 0.00 56 A 7.34 3.90 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 57 Q 7.39 4.00 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 58 K 7.69 4.19 0.00 1.50 1.66 0.00 1.46 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.25 7.81 59 I 7.65 4.25 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.97 0.00 0.00 60 K 8.49 4.55 0.00 1.69 1.80 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.30 7.81 61 S 7.97 4.35 0.00 3.82 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 62 A 8.30 4.56 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 63 K 7.88 4.17 0.00 1.79 1.87 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.37 7.81 64 I 7.41 4.54 1.77 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 1.40 0.49 0.84 0.00 0.00 65 H 7.95 5.04 0.00 2.96 2.79 0.00 5.51 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.54 4.49 2.21 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 0.98 0.00 0.00 0.94 0.00 0.00 67 W 9.27 5.30 0.00 3.36 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 68 I 9.01 4.87 1.87 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.03 0.00 0.00 69 G 8.97 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 70 L 7.88 4.72 0.00 1.46 1.41 0.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.23 4.80 0.00 0.67 1.12 0.00 2.21 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.76 0.00 72 A 8.33 4.34 1.10 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 0.00 0.00 73 Q 8.72 3.93 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 74 N 8.03 4.25 0.00 2.60 2.92 0.00 0.00 6.94 7.61 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 75 K 8.50 4.09 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 76 E 7.79 4.19 0.00 2.03 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 0.00 2.23 2.35 0.00 77 K 8.36 3.76 0.00 1.58 1.52 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.24 7.81 78 Q 7.61 4.55 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 79 C 8.29 4.69 0.00 2.93 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 80 S 8.76 3.75 0.00 3.95 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 81 I 7.11 4.50 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.93 0.00 0.00 82 E 8.10 4.73 0.00 1.95 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 2.36 2.38 0.00 83 W 8.84 4.37 0.00 3.67 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 84 S 8.97 4.33 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 85 D 7.95 4.66 0.00 2.79 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 86 G 8.35 4.21 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 0.00 87 S 8.76 4.32 0.00 4.10 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 88 S 8.43 4.71 0.00 4.07 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 89 I 8.18 4.42 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.35 0.97 0.00 0.00 90 S 8.96 4.59 0.00 4.08 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 91 Y 7.96 4.68 0.00 2.93 3.01 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 92 E 7.45 4.50 0.00 1.88 1.80 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 2.28 2.33 0.00 93 N 7.73 4.84 0.00 2.22 2.55 0.00 0.00 7.08 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 94 W 8.08 4.31 0.00 3.26 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 95 I 8.50 4.17 1.95 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 1.44 0.78 0.93 0.00 0.00 96 E 9.08 3.86 0.00 1.89 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 2.41 2.32 0.00 97 E 7.69 2.78 0.00 1.73 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 2.16 1.59 0.00 98 E 8.09 4.27 0.00 2.41 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 2.36 2.50 0.00 99 S 7.64 4.10 0.00 3.40 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 0.00 100 K 8.20 4.83 0.00 1.74 1.84 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.61 7.81 101 K 7.97 4.41 0.00 1.53 1.62 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.65 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.30 7.81 102 C 8.13 5.04 0.00 2.87 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 0.00 103 L 8.69 5.51 0.00 1.64 1.67 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.30 4.82 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 0.00 0.00 0.00 105 V 9.02 5.34 2.35 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 1.09 0.00 0.00 1.21 0.00 0.00 106 H 8.58 5.12 0.00 3.27 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.38 2.11 1.45 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.60 0.00 0.00 108 E 7.85 4.12 0.00 2.09 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 2.35 2.28 0.00 109 T 7.52 4.39 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 0.00 110 G 8.13 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 0.00 111 F 7.73 3.96 0.00 3.23 3.16 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 0.00 112 H 8.29 4.80 0.00 3.34 3.37 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.96 4.04 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.41 7.81 114 W 8.75 4.90 0.00 3.32 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 0.00 115 E 9.49 4.70 0.00 1.60 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 2.23 2.55 0.00 116 N 8.18 5.10 0.00 2.44 2.82 0.00 0.00 6.73 7.45 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 0.00 117 F 9.42 5.19 0.00 3.12 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 0.00 118 Y 8.89 4.95 0.00 3.23 3.05 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 0.00 119 C 8.70 4.10 0.00 2.67 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 0.00 120 E 6.25 4.15 0.00 1.57 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 1.64 2.20 0.00 121 Q 7.80 4.50 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.76 0.00 122 Q 8.44 5.23 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 123 D 9.21 4.66 0.00 1.58 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 0.00 0.00 0.00 0.00 124 P 0.00 5.13 0.00 1.98 1.99 0.00 3.96 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 1.99 0.00 125 F 8.12 5.47 0.00 3.17 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 0.00 126 V 8.50 4.95 2.20 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 1.16 0.00 0.00 0.90 0.00 0.00 127 C 9.31 5.63 0.00 3.45 3.36 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 0.00 128 E 9.51 5.33 0.00 1.98 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 1.88 1.47 0.00 129 A 8.54 4.20 1.04 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