NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4755 8.1933 116.7951 58.0021 65.0530 175.1266 2 N 4.1763 8.0334 119.4499 54.5342 37.1809 174.4167 3 I 4.2517 8.5029 118.3952 61.2416 39.4298 175.4664 4 I 4.7442 7.5595 120.5169 61.1651 37.9128 175.9594 5 K 4.6203 7.8123 119.8666 56.9701 37.9580 177.4053 6 Q 4.0162 8.1344 118.9026 58.3877 28.6026 177.4064 7 L 4.3485 7.1345 120.0861 57.1815 42.7930 178.2196 8 E 4.0743 7.9577 118.3802 59.3760 29.7015 178.6786 9 Q 4.2314 8.1206 115.9211 57.3818 28.8483 176.8196 10 E 4.2326 7.4729 121.1993 58.0037 29.6192 176.5258 11 Q 4.4640 7.6143 114.0437 56.3050 30.9793 174.5564 12 M 4.2714 7.8599 119.5665 53.6844 32.0358 176.6069 13 K 4.1610 8.6592 123.4007 57.3743 33.1729 176.6902 14 Q 4.6101 8.4756 116.8281 55.9607 30.0090 176.2435 15 D 4.4936 8.1938 118.5589 56.4024 41.6638 177.2885 16 V 3.3974 7.6167 116.4656 62.6596 31.7011 173.6831 17 P 4.5869 0.0000 0.0000 61.1437 32.3472 176.0054 18 S 4.2841 8.4166 115.6144 58.6933 63.2351 172.9554 19 F 3.7014 8.9303 126.5540 55.2302 38.5624 174.5140 20 R 4.1200 8.7753 123.1455 56.0633 31.3445 173.1796 21 P 4.5717 0.0000 0.0000 66.0449 31.1121 174.7516 22 G 3.5255 7.9197 113.7931 45.1906 0.0000 172.4959 23 D 5.2008 7.0163 128.6903 53.4864 39.1145 177.2122 24 T 5.1651 8.8879 116.1078 63.8852 74.6575 174.5947 25 V 3.5672 7.6777 108.4455 60.9036 28.7996 173.2810 26 E 4.2017 8.1173 128.0321 56.6083 31.2174 176.1537 27 V 4.4478 7.7519 124.0495 61.5996 31.7245 172.7980 28 K 4.4944 8.3431 126.6185 55.9004 33.3566 176.3431 29 V 5.2154 8.1087 117.3517 57.8067 35.5167 175.5882 30 W 5.7089 8.9020 123.8239 57.1719 29.3314 175.8799 31 V 4.4211 8.4180 116.8942 61.2919 34.9656 175.3228 32 V 3.2476 8.2536 115.2548 61.8472 28.5731 172.1245 33 E 3.9388 8.4160 127.1475 58.8259 30.2081 177.5236 34 G 4.2594 7.7652 107.8955 45.9585 0.0000 173.1669 35 S 4.5538 8.0582 111.3806 57.5581 66.7878 173.7765 36 K 4.5710 7.8839 119.8314 54.8414 34.6503 176.7445 37 K 4.8164 8.6052 124.6299 55.2152 33.9558 175.5278 38 R 4.4186 7.8082 117.3312 56.6756 31.3791 172.9025 39 L 5.2608 8.4909 118.8783 53.8492 43.2161 176.3030 40 Q 4.7127 8.7090 122.1311 54.0881 32.3539 174.8317 41 A 4.1558 8.8281 127.4409 52.0605 19.4878 177.1405 42 F 4.6357 7.9928 114.9028 58.1253 40.9246 171.1166 43 E 4.5670 8.4840 119.9768 55.7806 30.6123 176.4028 44 G 4.3239 8.6852 111.4721 45.3314 0.0000 171.0743 45 V 4.6359 8.8968 119.8518 61.5263 34.2947 175.3968 46 V 5.0357 8.2550 122.8630 61.4046 32.8149 175.3350 47 I 4.2855 8.6965 120.9455 60.6545 40.7460 174.9423 48 A 4.7137 7.8079 123.8363 49.8696 21.4621 175.2555 49 I 4.4784 8.3123 122.3496 60.1402 40.1837 178.0716 50 R 5.0897 7.8058 121.7496 57.0543 29.5671 178.6250 51 N 4.6349 10.1202 115.8986 54.7139 35.0397 175.8568 52 R 4.7238 8.9241 117.2184 55.8339 33.2745 176.6577 53 G 3.8015 7.5971 116.1822 46.7509 0.0000 174.6519 54 L 3.9064 8.5758 126.2206 56.1848 41.8485 176.2986 55 H 4.7247 8.4691 114.5298 56.9902 30.1195 175.2391 56 S 4.4149 7.0532 115.9021 58.5066 64.4079 173.6299 57 A 4.5833 7.8235 119.5530 51.4777 21.8366 175.4067 58 F 5.4774 7.6152 116.1863 55.4116 41.7637 174.3240 59 T 4.6613 8.9790 116.3463 61.8990 71.6409 173.9419 60 V 5.2011 7.9272 122.9550 60.1553 33.9579 173.3873 61 R 4.1856 8.4999 128.2274 55.7934 30.7685 175.4026 62 K 4.1432 9.1548 127.8049 57.0399 33.5129 175.6070 63 I 3.2981 7.7651 120.4763 61.5039 33.1534 172.0010 64 S 4.6092 8.1270 116.7138 57.1886 65.3433 173.9731 65 N 4.4934 9.4065 129.6701 54.1893 36.9839 175.0618 66 G 4.2201 7.7553 100.3873 46.4688 0.0000 171.8240 67 E 4.6883 8.0648 119.2641 54.1418 33.6862 174.9803 68 G 3.8265 8.9154 111.0145 46.7286 0.0000 174.3604 69 V 4.5896 8.0475 120.3057 60.1296 31.9019 173.1436 70 E 4.0798 8.5716 122.3695 56.9947 30.6083 177.1266 71 R 4.1822 8.5240 123.7152 54.4297 32.1010 173.4473 72 V 3.5536 7.8751 118.4732 61.0377 32.1025 175.4843 73 F 4.5459 8.0524 124.1233 55.7631 41.7175 175.6690 74 Q 4.2832 8.5461 121.2831 55.4127 28.1051 176.3638 75 T 4.0558 8.0218 119.3018 64.7191 67.4532 174.2956 76 H 4.7579 7.9522 114.8787 55.1176 30.8505 174.1894 77 S 4.1566 7.8829 114.9847 57.8802 63.0896 173.5122 78 P 4.1013 0.0000 0.0000 65.9342 31.5811 178.8381 79 V 3.3042 7.2331 110.9529 62.9280 31.7049 178.2410 80 V 3.4950 6.9899 118.4404 63.3253 32.9563 177.5576 81 D 3.8084 7.7022 117.4140 55.3275 41.4896 176.9832 82 S 4.3818 7.0136 111.4128 58.0364 64.6016 171.9697 83 I 4.1018 7.6217 115.0532 61.2127 39.8662 173.0593 84 S 4.6970 7.7651 129.3567 57.4825 66.1989 174.2145 85 V 4.0192 7.9078 120.8371 61.1758 31.7501 174.5649 86 K 4.0153 8.6269 125.7205 59.1349 32.1647 177.1178 87 R 4.7778 7.8716 115.5535 54.5515 33.9967 173.8849 88 R 4.7895 8.5139 119.2713 54.2063 33.0269 175.3553 89 G 4.8761 9.2865 110.4096 43.8172 0.0000 173.3407 90 A 4.6570 8.5982 124.5011 50.0574 18.7367 175.5535 91 V 3.8750 8.3706 119.7559 63.0888 32.8626 175.1849 92 R 3.6555 7.9935 118.1524 55.5081 27.3506 173.7204 93 K 4.8443 8.2448 128.5397 55.0424 35.7075 172.2684 94 A 3.6905 8.9553 123.4191 55.7919 17.2692 179.2027 95 K 4.3781 8.9511 113.9901 54.3295 34.9959 177.1762 96 L 4.5134 7.7859 121.2442 53.9652 40.6908 176.8055 97 Y 4.3858 7.4277 117.9115 60.1985 38.8693 177.6471 98 Y 4.4319 7.9257 116.1952 58.4676 38.7239 176.3376 99 L 4.1624 7.2510 120.2087 56.2425 42.2305 178.2877 100 R 4.1336 7.5293 115.8524 57.3272 29.6325 176.9685 101 E 4.5753 7.9776 117.7107 54.9723 31.1611 174.6308 102 R 4.5228 7.8840 121.4125 53.1316 35.5104 176.9071 103 T 3.6665 8.4081 111.3401 63.7640 68.3468 171.5789 104 G 4.1737 8.3251 111.8904 45.8344 0.0000 173.6909 105 K 3.9695 8.8460 116.1657 56.9260 30.1309 175.3458 106 A 4.4477 7.9640 119.2927 53.7551 20.6288 177.7588 107 A 3.6243 7.9478 117.2898 53.6808 18.8454 179.2272 108 R 3.4087 7.0316 116.0206 55.9596 27.5472 175.5632 109 I 3.8374 8.0791 128.2730 61.7314 36.9921 179.0644 110 K 4.2629 7.8281 126.5019 57.2230 37.0217 174.5828 111 E 4.7658 8.6332 121.7317 55.5781 32.8817 174.9900 112 R 3.6756 9.0733 128.2840 55.3464 29.0347 174.2689 113 L 3.4873 8.9506 128.8355 54.8168 42.5115 173.0076 114 N 4.5716 8.6604 122.0277 53.3844 38.7846 175.0310 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 S 8.19 4.48 0.00 3.90 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 2 N 8.03 4.18 0.00 2.86 2.86 0.00 0.00 6.65 6.08 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 3 I 8.50 4.25 1.87 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 1.41 1.27 0.91 0.00 0.00 4 I 7.56 4.74 1.97 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 1.19 0.75 0.97 0.00 0.00 5 K 7.81 4.62 0.00 1.73 1.70 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 Q 8.13 4.02 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 7 L 7.13 4.35 0.00 1.80 1.73 0.92 0.96 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 8 E 7.96 4.07 0.00 2.01 1.89 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 2.34 2.34 0.00 9 Q 8.12 4.23 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 10 E 7.47 4.23 0.00 2.25 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 0.00 2.32 2.35 0.00 11 Q 7.61 4.46 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 12 M 7.86 4.27 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.16 0.00 13 K 8.66 4.16 0.00 1.87 1.84 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.41 7.81 14 Q 8.48 4.61 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 15 D 8.19 4.49 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 16 V 7.62 3.40 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 1.02 0.00 0.00 0.96 0.00 0.00 17 P 0.00 4.59 0.00 1.87 1.85 0.00 3.58 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 2.01 1.96 0.00 18 S 8.42 4.28 0.00 4.00 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 19 F 8.93 3.70 0.00 2.85 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 20 R 8.78 4.12 0.00 2.06 2.07 0.00 3.24 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 21 P 0.00 4.57 0.00 2.22 2.08 0.00 3.83 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 2.00 1.97 0.00 22 G 7.92 3.53 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 0.00 23 D 7.02 5.20 0.00 2.78 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 0.00 0.00 0.00 24 T 8.89 5.17 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 1.22 0.00 0.00 25 V 7.68 3.57 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 0.53 0.00 0.00 0.92 0.00 0.00 26 E 8.12 4.20 0.00 2.03 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 0.00 2.39 2.33 0.00 27 V 7.75 4.45 1.70 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 -0.22 0.00 0.00 1.02 0.00 0.00 28 K 8.34 4.49 0.00 1.68 1.70 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.42 7.81 29 V 8.11 5.22 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 0.54 0.00 0.00 1.05 0.00 0.00 30 W 8.90 5.71 0.00 3.31 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 31 V 8.42 4.42 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 0.86 0.00 0.00 1.01 0.00 0.00 32 V 8.25 3.25 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 0.72 0.00 0.00 0.92 0.00 0.00 33 E 8.42 3.94 0.00 2.04 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 2.34 2.32 0.00 34 G 7.77 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 0.00 0.00 0.00 0.00 35 S 8.06 4.55 0.00 3.79 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 36 K 7.88 4.57 0.00 1.77 1.88 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.42 7.81 37 K 8.61 4.82 0.00 1.46 1.60 0.00 1.51 0.00 0.00 1.37 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.32 7.81 38 R 7.81 4.42 0.00 1.94 2.08 0.00 2.98 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 39 L 8.49 5.26 0.00 1.62 1.70 1.20 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.71 4.71 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 41 A 8.83 4.16 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 42 F 7.99 4.64 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 43 E 8.48 4.57 0.00 1.90 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 0.00 2.34 2.33 0.00 44 G 8.69 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 0.00 0.00 0.00 0.00 45 V 8.90 4.64 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 0.94 0.00 0.00 0.94 0.00 0.00 46 V 8.26 5.04 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 1.10 0.00 0.00 1.10 0.00 0.00 47 I 8.70 4.29 1.84 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 1.13 1.04 0.83 0.00 0.00 48 A 7.81 4.71 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 0.00 0.00 49 I 8.31 4.48 1.87 0.00 0.00 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 1.40 0.71 0.90 0.00 0.00 50 R 7.81 5.09 0.00 1.74 1.55 0.00 2.87 0.00 0.00 2.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 51 N 10.12 4.63 0.00 2.75 3.25 0.00 0.00 6.52 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 52 R 8.92 4.72 0.00 1.78 1.87 0.00 3.45 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 53 G 7.60 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 54 L 8.58 3.91 0.00 1.42 1.63 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.47 4.72 0.00 3.28 3.31 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.05 4.41 0.00 3.77 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 57 A 7.82 4.58 1.19 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 0.00 0.00 58 F 7.62 5.48 0.00 3.15 2.90 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 59 T 8.98 4.66 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 1.16 0.00 0.00 60 V 7.93 5.20 2.24 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 1.47 0.00 0.00 1.39 0.00 0.00 61 R 8.50 4.19 0.00 1.96 1.81 0.00 3.21 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 62 K 9.15 4.14 0.00 1.68 1.66 0.00 1.14 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.53 7.81 63 I 7.77 3.30 1.86 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 1.30 0.78 0.90 0.00 0.00 64 S 8.13 4.61 0.00 3.63 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 65 N 9.41 4.49 0.00 2.90 2.93 0.00 0.00 6.71 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 66 G 7.76 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 0.00 0.00 0.00 67 E 8.06 4.69 0.00 1.92 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 2.21 2.42 0.00 68 G 8.92 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 69 V 8.05 4.59 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 0.89 0.00 0.00 0.97 0.00 0.00 70 E 8.57 4.08 0.00 1.89 1.89 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 2.34 2.37 0.00 71 R 8.52 4.18 0.00 1.67 0.99 0.00 3.07 0.00 0.00 2.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 72 V 7.88 3.55 1.88 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 0.63 0.00 0.00 0.75 0.00 0.00 73 F 8.05 4.55 0.00 1.89 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.28 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 75 T 8.02 4.06 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 1.17 0.00 0.00 76 H 7.95 4.76 0.00 3.15 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.88 4.16 0.00 3.86 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 78 P 0.00 4.10 0.00 2.19 2.28 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 79 V 7.23 3.30 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 0.79 0.00 0.00 0.94 0.00 0.00 80 V 6.99 3.49 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 0.60 0.00 0.00 0.97 0.00 0.00 81 D 7.70 3.81 0.00 2.06 1.66 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 82 S 7.01 4.38 0.00 3.72 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 83 I 7.62 4.10 1.76 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.80 0.00 0.00 84 S 7.77 4.70 0.00 3.69 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 85 V 7.91 4.02 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 0.59 0.00 0.00 0.90 0.00 0.00 86 K 8.63 4.02 0.00 1.73 1.89 0.00 1.55 0.00 0.00 1.92 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.47 7.81 87 R 7.87 4.78 0.00 1.75 1.75 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 88 R 8.51 4.79 0.00 1.75 1.77 0.00 3.11 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 89 G 9.29 4.88 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 90 A 8.60 4.66 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 91 V 8.37 3.88 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 0.97 0.00 0.00 0.99 0.00 0.00 92 R 7.99 3.66 0.00 1.95 1.91 0.00 3.45 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 93 K 8.24 4.84 0.00 1.89 1.85 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.46 7.81 94 A 8.96 3.69 1.25 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 0.00 0.00 95 K 8.95 4.38 0.00 1.59 0.95 0.00 1.78 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.60 7.81 96 L 7.79 4.51 0.00 1.37 1.28 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.43 4.39 0.00 3.15 2.94 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 98 Y 7.93 4.43 0.00 3.10 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 99 L 7.25 4.16 0.00 1.47 1.58 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.53 4.13 0.00 1.80 2.00 0.00 3.28 0.00 0.00 3.49 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 101 E 7.98 4.58 0.00 1.95 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 2.27 2.34 0.00 102 R 7.88 4.52 0.00 1.83 1.80 0.00 3.62 0.00 0.00 3.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 103 T 8.41 3.67 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 1.22 0.00 0.00 104 G 8.33 4.17 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 0.00 0.00 0.00 105 K 8.85 3.97 0.00 1.90 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.36 7.81 106 A 7.96 4.45 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 0.00 107 A 7.95 3.62 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 0.00 108 R 7.03 3.41 0.00 1.91 2.22 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 109 I 8.08 3.84 1.89 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 1.43 0.49 0.98 0.00 0.00 110 K 7.83 4.26 0.00 1.82 1.71 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.38 7.81 111 E 8.63 4.77 0.00 1.87 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 2.21 2.35 0.00 112 R 9.07 3.68 0.00 1.90 1.68 0.00 3.40 0.00 0.00 3.27 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 113 L 8.95 3.49 0.00 1.80 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.66 4.57 0.00 2.73 2.68 0.00 0.00 7.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00