NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4075 8.1933 115.4022 57.9683 63.4244 174.0534 2 I 3.1558 7.8421 128.8973 63.8806 37.1054 177.0014 3 Q 4.2960 8.0428 118.5950 57.3809 29.6089 176.4353 4 A 4.1322 7.2828 120.8194 53.6795 19.2982 177.9390 5 E 3.6415 7.6693 117.4844 55.6981 29.6625 178.1139 6 E 3.8758 8.3545 121.8971 58.4870 29.9561 177.6569 7 W 4.5995 7.2235 114.9928 56.7898 28.9409 174.7679 8 Y 5.0905 7.5943 121.8159 57.2354 38.0309 174.6551 9 F 4.5057 9.3931 126.1224 56.3028 40.5679 178.1303 10 G 3.2709 5.7620 110.8701 46.7479 0.0000 176.5204 11 K 4.5432 8.5239 119.3995 54.7655 30.3315 175.3827 12 I 4.6469 7.4526 115.3380 57.9275 40.9912 176.7308 13 T 4.2996 8.0507 112.4079 60.9395 71.2588 175.6996 14 R 3.8108 9.0396 121.0669 59.4716 29.9932 178.4003 15 R 3.8890 7.8857 118.1325 59.2865 30.0776 177.9537 16 E 3.9509 8.2575 119.4560 59.1430 29.6446 178.7499 17 S 4.0366 8.1671 114.3747 61.8296 62.9524 176.5200 18 E 3.9714 8.3062 122.4004 58.6878 28.8929 179.3591 19 R 3.8962 7.7875 118.2647 59.3411 30.2306 178.3061 20 L 4.1518 7.9348 117.9875 57.8637 41.9290 179.2547 21 L 4.2110 8.1326 118.5741 56.8239 41.2902 177.7987 22 L 4.7097 7.5841 118.2357 54.0303 43.0185 175.8469 23 N 4.6398 7.5834 117.8502 52.2774 39.7703 175.8106 24 A 4.0360 8.7084 128.2947 55.3119 18.5650 178.3897 25 E 4.1017 8.4351 114.0811 58.2913 29.8025 176.9368 26 N 4.4930 7.9670 118.0005 52.1192 38.9836 173.4928 27 P 4.5731 0.0000 0.0000 61.2189 32.9306 175.4963 28 R 3.9350 8.1280 117.7379 58.0170 30.3280 177.6452 29 G 4.1051 9.0029 109.9033 46.3405 0.0000 173.3998 30 T 4.7159 7.5933 117.7586 63.9422 69.6044 173.4555 31 F 5.5327 9.0426 120.1186 56.0489 42.2891 172.6608 32 L 4.7874 8.7187 117.5959 54.7677 43.9818 174.2074 33 V 5.2654 9.1905 120.4911 61.3966 34.6605 174.5529 34 R 4.9219 9.1388 122.6972 54.5828 33.5119 173.9633 35 E 4.7094 8.8218 119.3160 56.3355 30.2051 177.1873 36 S 4.3372 8.2598 117.6250 58.0948 62.5936 174.3448 37 E 4.1444 9.0774 126.5434 58.9199 29.6790 177.7822 38 T 4.2859 7.8459 106.6673 62.8542 70.7006 174.6057 39 T 4.2359 8.1352 121.1634 61.3939 68.7298 174.2333 40 K 4.0429 8.5071 128.6185 57.5690 32.6322 177.3508 41 G 3.7392 8.7014 112.7229 45.5697 0.0000 172.9593 42 A 4.6678 7.4439 121.6974 50.8429 21.4070 176.0020 43 Y 5.2365 8.6633 117.2727 56.4915 41.8955 174.3183 44 C 5.2941 9.4469 120.5848 57.7377 35.1895 172.1931 45 L 5.0763 9.3231 128.8511 53.8065 43.6893 174.8657 46 S 5.2582 8.9308 123.1719 56.8140 65.3779 173.5315 47 V 5.0838 8.9170 124.7496 61.0640 34.7397 174.6470 48 S 5.0360 9.2424 122.5968 57.9479 65.0771 172.4096 49 D 5.3221 9.2957 120.7599 53.1779 45.4540 173.4472 50 F 5.6947 8.7742 121.1973 57.9972 42.3340 172.3782 51 D 4.4451 6.9879 122.7599 52.5127 41.9126 176.0658 52 N 4.0810 8.7209 116.3722 56.0674 38.6170 176.7698 53 A 4.0216 7.6850 120.5926 54.6989 18.7352 178.4855 54 K 4.0853 9.6499 115.3948 56.0653 33.6220 179.6076 55 G 3.3441 8.1680 108.1437 45.0206 0.0000 171.8622 56 L 4.9761 8.5054 123.9648 55.1176 43.0847 177.0363 57 N 5.0322 9.2193 122.5465 52.0307 41.4614 172.9653 58 V 4.8848 8.2401 118.1162 60.9995 34.4131 174.5327 59 K 4.5582 8.9691 126.0769 54.7783 35.5310 174.6925 60 H 5.2597 8.1918 119.5103 54.1565 31.9325 172.7641 61 Y 4.7143 8.9557 119.7364 55.9578 41.7683 174.3673 62 K 4.7531 8.7766 124.8175 55.8682 34.1538 175.1638 63 I 4.7632 8.8682 129.3136 60.0073 38.7467 175.2464 64 R 4.4791 8.8428 127.3286 55.0943 31.8690 175.7385 65 K 4.4100 8.0691 122.6165 54.4058 34.5526 175.6342 66 L 4.3303 8.8155 128.2386 54.0859 42.5152 178.0587 67 D 4.2824 8.5683 122.1116 57.5587 40.9521 177.8788 68 S 4.2929 7.9413 111.6948 59.1779 62.5313 174.3144 69 G 4.0632 8.4040 111.0975 45.0848 0.0000 174.6905 70 G 4.1108 7.7824 106.0815 45.8840 0.0000 172.6680 71 F 5.4802 9.2802 120.5770 55.7774 42.3338 174.1745 72 Y 5.1636 8.5283 118.5479 57.2335 41.0418 175.0764 73 I 4.2477 9.0336 120.6499 62.5510 38.5300 176.0113 74 T 4.7516 7.7808 114.5624 59.7649 68.9915 175.1413 75 S 2.8211 8.5273 122.7844 60.7483 62.9634 175.8358 76 R 3.8860 7.4102 119.2932 58.1575 29.8964 176.5123 77 T 4.1196 7.6410 113.6561 61.4364 69.1740 172.9986 78 Q 4.8234 7.6801 124.0264 53.9114 31.5147 175.3556 79 F 4.9180 8.9241 118.0798 55.7261 42.8062 176.2046 80 N 4.8697 9.0485 119.9886 55.6662 39.0311 175.9340 81 S 4.5047 7.9214 111.3575 55.5561 67.4271 174.7234 82 L 3.4603 7.2021 123.8736 58.1327 41.6750 179.2024 83 Q 4.1748 7.8952 117.5582 59.2585 28.7046 178.7387 84 Q 3.9207 8.0274 118.9994 58.5504 28.6913 178.5512 85 L 2.4400 7.4054 121.4264 57.5804 42.0094 179.2224 86 V 3.1739 7.6095 118.1477 65.7173 29.8523 177.7637 87 A 3.8605 7.9840 120.8030 55.3222 18.2389 178.9917 88 Y 3.9645 7.9651 118.3645 60.8575 38.8071 177.2800 89 Y 4.5177 7.6911 117.1395 58.8077 37.8987 177.3395 90 S 4.5642 7.3409 116.8740 59.2188 63.1497 174.7228 91 K 4.2508 7.1122 117.6385 56.3002 33.5346 176.0664 92 H 4.6732 7.5891 115.9949 53.5954 31.0880 174.8434 93 A 4.0533 8.7076 127.3446 54.1256 19.8308 179.0888 94 D 4.5657 7.7213 113.1882 55.9826 40.1963 175.4511 95 G 3.9062 8.9203 116.7391 46.6289 0.0000 173.3981 96 L 3.9242 7.9895 121.4473 53.8504 42.2442 177.9124 97 C 3.9788 8.6565 115.6196 61.0888 29.7616 173.2002 98 H 4.3783 7.0433 117.1797 55.1879 32.9118 173.5687 99 R 4.1960 7.6248 119.8331 55.4813 30.2500 175.8683 100 L 4.1704 8.5445 120.9695 55.2739 41.7627 176.3254 101 T 4.4455 8.8214 113.3466 62.8891 70.3363 174.2177 102 T 4.7672 7.7187 116.9576 58.8074 70.8775 172.5625 103 V 3.3534 8.4295 128.2214 62.5853 32.4267 175.0706 104 C 4.1632 8.3903 128.8202 59.1353 31.7163 171.7821 105 P 4.5459 0.0000 0.0000 62.4927 31.8789 176.4848 106 T 4.2210 8.4217 116.8630 64.0718 68.3892 174.6081 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 4.41 0.00 3.95 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 2 I 7.84 3.16 1.31 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.44 -0.15 0.00 0.00 3 Q 8.04 4.30 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 4 A 7.28 4.13 1.21 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 5 E 7.67 3.64 0.00 1.16 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 1.90 1.47 0.00 6 E 8.35 3.88 0.00 2.00 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 2.33 2.27 0.00 7 W 7.22 4.60 0.00 3.53 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 8 Y 7.59 5.09 0.00 2.64 2.93 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 0.00 0.00 0.00 9 F 9.39 4.51 0.00 2.73 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 10 G 5.76 3.27 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 0.00 11 K 8.52 4.54 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.62 7.81 12 I 7.45 4.65 1.91 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 1.53 0.87 0.99 0.00 0.00 13 T 8.05 4.30 4.41 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 1.21 0.00 0.00 14 R 9.04 3.81 0.00 1.80 1.97 0.00 2.94 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 15 R 7.89 3.89 0.00 1.91 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 16 E 8.26 3.95 0.00 2.15 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 0.00 2.35 2.40 0.00 17 S 8.17 4.04 0.00 4.05 4.23 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 18 E 8.31 3.97 0.00 2.06 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 2.39 2.64 0.00 19 R 7.79 3.90 0.00 1.94 2.11 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 L 7.93 4.15 0.00 1.75 1.69 1.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.13 4.21 0.00 1.67 1.70 0.88 0.47 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 22 L 7.58 4.71 0.00 1.69 1.69 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.58 4.64 0.00 2.71 2.68 0.00 0.00 7.12 8.85 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 24 A 8.71 4.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.10 0.00 2.10 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 2.27 0.00 26 N 7.97 4.49 0.00 2.86 2.77 0.00 0.00 6.98 7.54 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 27 P 0.00 4.57 0.00 2.18 2.15 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 28 R 8.13 3.94 0.00 1.59 1.57 0.00 3.28 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 29 G 9.00 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 0.00 0.00 0.00 30 T 7.59 4.72 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 1.21 0.00 0.00 31 F 9.04 5.53 0.00 3.19 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 32 L 8.72 4.79 0.00 1.03 1.03 0.73 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.19 5.27 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 1.28 0.00 0.00 1.08 0.00 0.00 34 R 9.14 4.92 0.00 2.02 1.97 0.00 3.00 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 35 E 8.82 4.71 0.00 1.95 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 2.58 2.47 0.00 36 S 8.26 4.34 0.00 3.88 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 37 E 9.08 4.14 0.00 1.98 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 2.31 2.29 0.00 38 T 7.85 4.29 4.23 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 1.20 0.00 0.00 39 T 8.14 4.24 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 1.18 0.00 0.00 40 K 8.51 4.04 0.00 1.67 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 41 G 8.70 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 42 A 7.44 4.67 1.21 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 43 Y 8.66 5.24 0.00 3.18 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 44 C 9.45 5.29 0.00 3.02 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 45 L 9.32 5.08 0.00 1.83 1.80 0.94 0.53 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 46 S 8.93 5.26 0.00 3.80 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 47 V 8.92 5.08 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 1.17 0.00 0.00 1.08 0.00 0.00 48 S 9.24 5.04 0.00 3.92 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 49 D 9.30 5.32 0.00 2.76 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 50 F 8.77 5.69 0.00 3.08 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 51 D 6.99 4.45 0.00 2.66 2.65 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 52 N 8.72 4.08 0.00 2.70 2.90 0.00 0.00 6.89 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 53 A 7.69 4.02 1.24 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 0.00 0.00 0.00 54 K 9.65 4.09 0.00 1.56 1.79 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.31 7.81 55 G 8.17 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 0.00 0.00 0.00 56 L 8.51 4.98 0.00 1.94 1.70 1.10 0.88 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 57 N 9.22 5.03 0.00 2.80 2.84 0.00 0.00 6.02 7.82 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 58 V 8.24 4.88 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 0.69 0.00 0.00 0.92 0.00 0.00 59 K 8.97 4.56 0.00 1.64 1.21 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.58 7.81 60 H 8.19 5.26 0.00 2.86 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.96 4.71 0.00 2.88 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 62 K 8.78 4.75 0.00 1.87 1.73 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 63 I 8.87 4.76 2.16 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 1.32 0.76 1.23 0.00 0.00 64 R 8.84 4.48 0.00 0.67 1.48 0.00 3.13 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 65 K 8.07 4.41 0.00 1.15 1.43 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.07 1.24 7.81 66 L 8.82 4.33 0.00 1.84 1.64 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.57 4.28 0.00 2.65 2.72 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 68 S 7.94 4.29 0.00 3.87 3.90 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 69 G 8.40 4.06 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 0.00 70 G 7.78 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 0.00 0.00 0.00 71 F 9.28 5.48 0.00 3.19 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 72 Y 8.53 5.16 0.00 3.41 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 73 I 9.03 4.25 1.92 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.95 0.00 0.00 74 T 7.78 4.75 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 1.31 0.00 0.00 75 S 8.53 2.82 0.00 3.55 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 76 R 7.41 3.89 0.00 1.75 1.96 0.00 3.07 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 77 T 7.64 4.12 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 0.66 0.00 0.00 78 Q 7.68 4.82 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 79 F 8.92 4.92 0.00 3.27 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 80 N 9.05 4.87 0.00 3.09 2.98 0.00 0.00 6.73 7.57 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 81 S 7.92 4.50 0.00 3.92 3.92 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 82 L 7.20 3.46 0.00 0.83 1.41 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.90 4.17 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.91 0.00 84 Q 8.03 3.92 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 85 L 7.41 2.44 0.00 1.58 1.66 1.22 0.85 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 86 V 7.61 3.17 1.59 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 0.20 0.00 0.00 -0.04 0.00 0.00 87 A 7.98 3.86 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 88 Y 7.97 3.96 0.00 2.85 2.33 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 89 Y 7.69 4.52 0.00 2.95 2.78 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 90 S 7.34 4.56 0.00 3.83 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 91 K 7.11 4.25 0.00 1.34 1.40 0.00 1.45 0.00 0.00 1.60 0.00 0.00 3.16 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.22 1.27 7.81 92 H 7.59 4.67 0.00 2.68 3.16 0.00 5.61 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 93 A 8.71 4.05 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 94 D 7.72 4.57 0.00 3.09 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 0.00 0.00 0.00 95 G 8.92 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 96 L 7.99 3.92 0.00 1.67 1.20 0.33 -0.65 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 97 C 8.66 3.98 0.00 3.40 3.21 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 98 H 7.04 4.38 0.00 2.95 3.17 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 99 R 7.62 4.20 0.00 2.10 1.95 0.00 3.17 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 100 L 8.54 4.17 0.00 1.14 0.22 0.15 0.24 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 0.00 101 T 8.82 4.45 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 102 T 7.72 4.77 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 1.25 0.00 0.00 103 V 8.43 3.35 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 0.84 0.00 0.00 0.93 0.00 0.00 104 C 8.39 4.16 0.00 2.86 2.53 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 0.00 105 P 0.00 4.55 0.00 2.11 1.98 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 106 T 8.42 4.22 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 1.20 0.00 0.00