NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0204 8.0501 114.0565 61.2432 33.3764 174.5921 5 A 4.4736 8.0579 125.4018 49.5851 20.2851 175.9534 6 F 3.0131 8.6017 123.0959 59.4392 40.6196 174.2424 7 G 3.4938 7.3957 115.0513 44.9652 0.0000 173.6954 8 S 4.0601 7.2465 116.0443 58.4893 63.3006 175.3438 9 E 4.0181 8.7846 124.8734 58.5458 29.7123 176.6933 10 D 5.0356 7.6657 118.0091 52.0590 40.3247 177.3643 11 I 3.4999 7.7248 122.4674 65.4087 37.7303 176.6327 12 E 3.9486 8.1211 117.6885 59.2652 29.1496 178.8837 13 N 4.3318 7.9258 116.9337 56.4855 38.8089 177.1637 14 T 3.9873 7.7244 116.5631 66.7333 68.6780 176.6030 15 L 3.8889 8.0148 120.1625 57.0088 41.3326 179.1663 16 A 4.2502 7.8682 120.8844 54.5566 18.3341 178.1449 17 K 4.3508 7.3713 113.4804 57.1044 33.0472 176.2379 18 M 5.4081 7.8888 119.2816 53.5625 33.5378 175.8019 19 D 4.7787 8.5232 122.3418 52.2542 40.9213 176.8755 20 D 4.6813 8.6762 119.6106 55.5471 39.5622 178.1266 21 G 3.7750 8.5713 108.2617 47.7219 0.0000 175.9864 22 Q 4.1778 8.3539 120.1802 58.3539 28.8091 178.5041 23 L 4.0007 7.9010 119.8531 57.7291 41.5088 178.6085 24 D 4.6501 7.7199 116.0794 55.8602 40.8819 177.7101 25 G 3.8650 7.5980 104.9574 43.8213 0.0000 174.1420 26 L 3.8494 6.7591 120.3050 54.4486 42.0212 177.2784 27 A 4.1676 7.9820 123.2267 53.4295 18.9129 177.1265 28 F 5.1173 6.6042 109.4676 54.2808 41.5358 175.2104 29 G 4.0806 9.5775 107.0271 45.9184 0.0000 172.7785 30 A 5.5371 9.5881 124.6639 50.3837 22.6576 175.0074 31 I 4.8879 9.0821 123.8089 59.5473 40.7669 174.4123 32 Q 4.4994 8.7068 127.7968 54.1128 31.1090 174.2539 33 L 5.3305 9.1076 125.9883 53.0050 46.2772 176.3418 34 D 4.9077 8.6747 121.2166 51.9423 41.4736 177.3368 35 G 3.6902 8.9540 107.1173 48.5483 0.0000 173.9682 36 D 4.7714 8.5285 116.9583 54.2305 41.4844 177.0519 37 G 4.1502 8.6586 108.8859 45.1035 0.0000 173.3178 38 N 4.8326 8.5777 118.0927 52.8964 39.2950 174.2532 39 I 4.3652 8.7110 124.2749 61.4476 37.6142 176.4692 40 L 4.3402 9.0629 127.7313 56.2435 43.1531 177.1677 41 Q 4.6815 7.7178 115.2832 54.7616 33.7348 174.2292 42 Y 4.8740 8.4482 123.6586 56.6079 40.6804 174.0432 43 N 4.9610 8.8971 125.2715 52.0698 39.1287 176.2529 44 A 4.0987 9.4941 122.3995 54.7341 18.0150 179.7519 45 A 3.9447 7.9904 118.6820 55.3422 18.2986 179.3705 46 E 3.9870 8.3094 117.4709 59.4449 29.9064 179.0116 47 S 4.4333 8.0616 113.9856 61.7006 62.7286 176.2225 48 D 4.5378 8.0416 121.7271 56.9388 40.5583 178.2487 49 I 4.0870 7.3395 118.7954 63.5339 37.4603 177.4117 50 T 4.5292 8.3094 108.4390 61.0306 69.7394 175.8912 51 G 3.9603 8.5136 109.6283 45.4392 0.0000 173.7576 52 R 4.0376 7.6191 118.2385 55.5072 30.9006 175.6727 53 D 4.6247 8.3204 121.3531 52.4122 41.8673 174.8354 54 P 4.0615 0.0000 0.0000 65.7522 31.5939 178.5847 55 K 3.7959 8.3291 115.5221 59.4848 31.9163 177.6882 56 Q 4.3060 7.9783 114.9488 56.3377 29.3773 176.5497 57 V 4.1525 7.1447 110.2221 61.4124 33.8787 175.9064 58 I 3.9960 7.5993 121.5964 62.5589 37.1931 175.5909 59 G 4.0179 9.0244 114.0251 45.4725 0.0000 174.0318 60 K 4.2501 7.8779 118.9868 55.4305 33.4171 174.9454 61 N 5.0568 8.2652 118.2819 52.1235 39.9642 175.3246 62 F 3.8461 8.9634 128.8310 61.3174 39.5712 177.2552 63 F 3.8047 7.4477 117.2009 59.5666 39.1168 176.7838 64 K 4.0027 8.4304 121.2382 58.7245 32.4652 177.0711 65 D 4.5209 7.8267 116.2661 56.1953 41.8497 178.4121 66 V 3.5765 7.5772 116.5703 65.1175 32.3322 176.0160 67 A 4.3587 7.5073 121.2393 49.1696 18.4465 174.6007 68 P 4.0731 0.0000 0.0000 65.0370 31.7687 179.3188 69 C 4.2540 7.7613 112.4881 60.3812 29.9353 174.1509 70 T 4.0901 7.7300 110.3047 62.0337 68.8043 174.2887 71 D 4.9956 7.6931 123.5199 53.0827 39.5263 174.7957 72 S 4.7954 7.9186 117.3341 55.7713 66.5345 174.3767 73 P 4.2137 0.0000 0.0000 65.6528 31.1012 178.3486 74 E 4.1387 8.1936 113.2695 57.2581 29.5000 175.7894 75 F 4.4861 7.1599 119.8167 58.9865 42.7605 175.8106 76 Y 4.0122 8.8132 120.2594 60.7271 38.9699 179.0942 77 G 3.7456 8.3406 108.1021 47.2848 0.0000 175.7930 78 K 4.5203 7.9586 122.1511 58.3627 32.0314 178.9995 79 F 4.0945 8.5191 121.2360 61.4458 39.3301 177.4337 80 K 3.6916 8.0937 117.9761 59.3046 31.8294 179.2611 81 E 3.9454 8.0577 119.0692 59.2903 29.4682 179.6509 82 G 3.5165 7.9626 105.8569 47.4802 0.0000 176.0682 83 V 3.2075 7.1731 119.5958 65.5434 31.5107 177.7637 84 A 4.0759 7.7576 119.8380 55.1239 18.3783 179.4611 85 S 4.2627 8.1516 111.2415 59.2612 63.4009 175.6190 86 G 3.9440 8.0287 109.6359 45.6786 0.0000 173.2146 87 N 4.9626 7.7674 115.9114 51.7662 38.9534 173.8766 88 L 4.1195 7.7249 122.6724 55.3055 43.9805 175.7194 89 N 5.0824 8.6800 119.3621 53.7955 40.7948 172.8285 90 T 4.8158 8.5437 119.6589 60.8706 71.6111 171.6465 91 M 5.3499 8.5639 125.6481 53.9763 35.3985 174.0085 92 F 4.9920 8.5008 118.9817 56.2924 41.9328 172.6158 93 E 5.0709 8.9023 118.6663 55.9208 31.2592 174.7398 94 Y 4.8648 8.7666 122.1615 57.2678 43.3736 173.1083 95 T 5.0332 7.9253 118.1296 61.7249 71.4160 173.6296 96 F 5.4013 9.2384 126.2548 56.1051 40.6168 176.3476 97 D 4.8403 8.8200 120.5698 53.1320 40.7347 174.0138 98 Y 4.4786 8.2203 121.2166 57.7365 39.3051 175.1872 99 Q 3.2108 8.1922 128.0276 56.2811 26.4165 173.1554 100 M 4.4274 7.2853 109.8858 54.6089 33.5734 174.6605 101 T 3.9635 8.4700 117.3612 62.8185 69.1924 172.4891 102 P 4.5020 0.0000 0.0000 63.9220 32.0716 175.7032 103 T 4.6420 9.1328 121.3927 61.4901 72.1394 173.6137 104 K 4.5976 8.6635 126.3490 56.4198 33.6665 176.5768 105 V 4.9148 8.8942 116.9392 59.6341 37.0288 173.8093 106 K 4.7241 8.8707 122.8882 54.6554 34.7361 174.8193 107 V 4.9201 8.8864 126.9956 61.2952 34.7832 173.7915 108 H 5.1881 9.2718 126.1436 54.8929 32.7100 171.6420 109 M 5.0049 9.0100 126.5695 53.9494 34.2189 175.5016 110 K 5.2588 8.9384 123.8278 54.5815 36.3072 175.2519 111 K 4.5025 8.8048 126.9250 57.1277 33.1956 176.7210 112 A 4.7070 8.3256 124.8814 51.3032 19.7035 178.6475 113 L 4.0092 8.7053 119.0221 57.6250 41.9877 179.2771 114 S 4.0697 8.0439 112.7169 59.5412 62.7718 175.5867 115 G 3.8800 7.9853 107.6169 45.2736 0.0000 173.1014 116 D 4.8578 7.6613 116.2328 52.3473 40.6008 175.2127 117 S 4.7735 7.0035 113.3771 57.2294 66.9326 172.2583 118 Y 4.9007 9.2425 117.6322 56.1730 42.4741 174.2829 119 W 5.0757 9.2852 122.2493 55.0334 32.1217 175.5107 120 V 4.4061 8.6242 123.1414 61.3250 33.7473 174.1016 121 F 5.8026 8.9853 127.4528 56.1215 41.6881 175.3212 122 V 5.2406 9.3415 121.5629 61.3769 35.2873 174.1208 123 K 4.9065 8.5185 124.9306 55.1795 36.1573 175.7686 124 R 4.5020 8.4968 120.7259 56.2850 31.1230 177.1753 125 V 3.9357 7.9346 114.0661 61.6451 32.3309 175.6968 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 4 V 8.05 4.02 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 0.84 0.00 0.00 0.95 0.00 0.00 5 A 8.06 4.47 1.29 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 0.00 0.00 6 F 8.60 3.01 0.00 2.54 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 7 G 7.40 3.49 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 0.00 0.00 0.00 8 S 7.25 4.06 0.00 3.76 3.71 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 9 E 8.78 4.02 0.00 1.88 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 2.27 2.28 0.00 10 D 7.67 5.04 0.00 2.78 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 11 I 7.72 3.50 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.66 0.80 0.00 0.00 12 E 8.12 3.95 0.00 2.35 2.31 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 2.40 2.41 0.00 13 N 7.93 4.33 0.00 2.89 2.91 0.00 0.00 7.04 7.70 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 14 T 7.72 3.99 4.28 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 1.16 0.00 0.00 15 L 8.01 3.89 0.00 1.25 1.24 0.23 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.87 4.25 1.47 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 0.00 0.00 17 K 7.37 4.35 0.00 2.01 1.93 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.49 7.81 18 M 7.89 5.41 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.48 0.00 19 D 8.52 4.78 0.00 2.85 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 20 D 8.68 4.68 0.00 2.91 2.98 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 21 G 8.57 3.77 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 0.00 0.00 0.00 22 Q 8.35 4.18 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.81 0.00 23 L 7.90 4.00 0.00 1.93 1.76 1.13 1.53 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 24 D 7.72 4.65 0.00 2.88 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 25 G 7.60 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 26 L 6.76 3.85 0.00 1.24 0.44 0.59 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.98 4.17 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 28 F 6.60 5.12 0.00 3.35 3.09 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 29 G 9.58 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.59 5.54 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 31 I 9.08 4.89 1.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.65 0.76 0.00 0.00 32 Q 8.71 4.50 0.00 1.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 33 L 9.11 5.33 0.00 1.72 1.54 0.28 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.67 4.91 0.00 3.02 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 35 G 8.95 3.69 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 0.00 0.00 0.00 36 D 8.53 4.77 0.00 2.78 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 37 G 8.66 4.15 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 0.00 38 N 8.58 4.83 0.00 3.09 2.76 0.00 0.00 7.02 6.78 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 39 I 8.71 4.37 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 1.04 0.00 0.00 40 L 9.06 4.34 0.00 1.44 1.64 0.82 0.85 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 41 Q 7.72 4.68 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 42 Y 8.45 4.87 0.00 2.96 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 43 N 8.90 4.96 0.00 2.97 3.00 0.00 0.00 6.59 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 44 A 9.49 4.10 1.44 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 45 A 7.99 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 46 E 8.31 3.99 0.00 1.99 1.63 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 1.49 2.15 0.00 47 S 8.06 4.43 0.00 4.39 4.40 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 48 D 8.04 4.54 0.00 2.90 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 49 I 7.34 4.09 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 1.07 0.00 0.00 50 T 8.31 4.53 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 1.47 0.00 0.00 51 G 8.51 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 52 R 7.62 4.04 0.00 1.84 1.51 0.00 3.24 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 53 D 8.32 4.62 0.00 2.67 2.48 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 0.00 0.00 0.00 0.00 54 P 0.00 4.06 0.00 2.26 2.36 0.00 3.69 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 55 K 8.33 3.80 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 56 Q 7.98 4.31 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 57 V 7.14 4.15 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 0.63 0.00 0.00 0.22 0.00 0.00 58 I 7.60 4.00 1.86 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 1.28 0.59 0.97 0.00 0.00 59 G 9.02 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 60 K 7.88 4.25 0.00 1.91 1.69 0.00 1.58 0.00 0.00 1.52 0.00 0.00 3.24 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.32 7.81 61 N 8.27 5.06 0.00 2.72 2.63 0.00 0.00 7.27 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 62 F 8.96 3.85 0.00 2.71 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 63 F 7.45 3.80 0.00 2.51 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 0.00 0.00 0.00 64 K 8.43 4.00 0.00 1.63 1.73 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 D 7.83 4.52 0.00 2.70 2.62 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 66 V 7.58 3.58 1.83 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 0.68 0.00 0.00 0.83 0.00 0.00 67 A 7.51 4.36 -0.16 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 68 P 0.00 4.07 0.00 1.83 1.88 0.00 3.35 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 69 C 7.76 4.25 0.00 3.22 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 70 T 7.73 4.09 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 0.51 0.00 0.00 71 D 7.69 5.00 0.00 2.72 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 72 S 7.92 4.80 0.00 4.27 4.08 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 0.00 0.00 0.00 0.00 73 P 0.00 4.21 0.00 2.22 2.13 0.00 3.66 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 2.13 2.09 0.00 74 E 8.19 4.14 0.00 1.99 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 0.00 2.59 2.46 0.00 75 F 7.16 4.49 0.00 2.82 2.99 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 0.00 0.00 0.00 76 Y 8.81 4.01 0.00 2.88 3.08 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 0.00 0.00 0.00 0.00 77 G 8.34 3.75 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 0.00 0.00 0.00 78 K 7.96 4.52 0.00 1.95 1.86 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.23 7.81 79 F 8.52 4.09 0.00 3.43 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 80 K 8.09 3.69 0.00 1.56 1.64 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.08 7.81 81 E 8.06 3.95 0.00 2.11 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 2.24 2.52 0.00 82 G 7.96 3.52 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 83 V 7.17 3.21 1.74 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 0.57 0.00 0.00 -0.63 0.00 0.00 84 A 7.76 4.08 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 85 S 8.15 4.26 0.00 4.01 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 86 G 8.03 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 87 N 7.77 4.96 0.00 2.65 2.70 0.00 0.00 7.05 7.80 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 88 L 7.72 4.12 0.00 1.83 1.67 0.93 0.59 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 89 N 8.68 5.08 0.00 2.75 2.72 0.00 0.00 6.93 7.70 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 90 T 8.54 4.82 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 1.41 0.00 0.00 91 M 8.56 5.35 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 92 F 8.50 4.99 0.00 3.16 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 93 E 8.90 5.07 0.00 1.97 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 2.27 2.35 0.00 94 Y 8.77 4.86 0.00 3.32 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 95 T 7.93 5.03 4.18 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 1.26 0.00 0.00 96 F 9.24 5.40 0.00 3.06 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 97 D 8.82 4.84 0.00 2.77 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 98 Y 8.22 4.48 0.00 2.82 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 99 Q 8.19 3.21 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 100 M 7.29 4.43 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 101 T 8.47 3.96 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 1.23 0.00 0.00 102 P 0.00 4.50 0.00 1.96 2.07 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 103 T 9.13 4.64 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 1.25 0.00 0.00 104 K 8.66 4.60 0.00 1.69 1.69 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.47 7.81 105 V 8.89 4.91 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 0.55 0.00 0.00 0.18 0.00 0.00 106 K 8.87 4.72 0.00 1.62 1.28 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.34 7.81 107 V 8.89 4.92 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 0.00 0.00 0.57 0.00 0.00 0.90 0.00 0.00 108 H 9.27 5.19 0.00 2.74 2.90 0.00 5.64 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.01 5.00 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 110 K 8.94 5.26 0.00 1.73 1.70 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.55 7.81 111 K 8.80 4.50 0.00 1.78 1.92 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.45 7.81 112 A 8.33 4.71 1.16 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 0.00 113 L 8.71 4.01 0.00 1.70 1.77 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.04 4.07 0.00 4.03 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 0.00 115 G 7.99 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 0.00 116 D 7.66 4.86 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.00 4.77 0.00 3.54 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 0.00 118 Y 9.24 4.90 0.00 3.19 2.98 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 0.00 119 W 9.29 5.08 0.00 2.87 1.74 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 0.00 120 V 8.62 4.41 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 1.18 0.00 0.00 0.87 0.00 0.00 121 F 8.99 5.80 0.00 3.00 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 0.00 122 V 9.34 5.24 2.52 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 1.25 0.00 0.00 1.29 0.00 0.00 123 K 8.52 4.91 0.00 1.60 1.37 0.00 1.03 0.00 0.00 0.89 0.00 0.00 2.28 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.94 7.81 124 R 8.50 4.50 0.00 1.68 1.87 0.00 3.14 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.93 3.94 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 0.56 0.00 0.00 0.87 0.00 0.00