NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2553 8.2493 123.5807 51.9763 20.0332 177.2431 2 D 4.5095 8.4085 122.3328 51.1463 42.1011 175.4939 3 L 3.8864 9.2392 121.3889 58.7383 42.2360 179.4896 4 E 3.9721 8.3403 117.5567 59.8790 29.4097 179.2186 5 D 4.3732 8.1216 118.1885 57.5264 40.9016 178.6167 6 N 4.3719 8.1831 116.9601 56.5762 38.5164 177.3822 7 M 4.1615 8.3462 120.2805 58.2894 31.9781 178.3948 8 E 3.9338 8.3519 119.4327 59.5386 29.7744 178.7753 9 T 3.8706 7.9710 115.7260 66.7351 68.5571 176.2415 10 L 3.9633 8.3180 120.9281 57.9444 41.7747 179.2356 11 N 4.2977 8.6297 117.0204 56.9293 38.7473 176.5660 12 D 4.3956 8.4856 120.6759 57.3796 40.7416 178.3112 13 N 4.4848 8.0469 115.9953 55.0051 38.9705 177.1837 14 L 3.9748 7.8812 122.2035 58.2946 42.0083 179.2975 15 K 4.2684 7.8790 119.1128 58.7909 31.8221 179.4486 16 V 3.6120 7.5288 118.4664 66.2499 31.2173 178.2166 17 I 3.7380 7.6483 118.1635 64.4040 37.1592 178.0081 18 E 4.1388 8.2211 119.4711 58.2751 29.0854 178.3672 19 K 4.4938 7.4807 115.7697 55.7159 33.7744 176.6265 20 A 4.1775 7.0961 124.2568 52.6379 18.8042 176.9361 21 D 4.9727 8.5475 119.1027 52.0743 40.7508 175.5281 22 N 5.0041 7.7325 115.9959 50.7493 41.4015 174.8079 23 A 4.0661 8.6241 123.5186 55.3618 18.5115 180.0273 24 A 3.9205 7.9978 118.7834 55.2770 18.5924 179.3952 25 Q 3.8881 8.5272 118.1589 59.3572 29.0385 178.8237 26 V 3.5817 7.4213 117.9046 65.8340 31.5883 177.8681 27 K 3.8755 8.3330 118.6182 59.7185 31.9021 178.6111 28 D 4.3144 8.2924 117.7129 57.3829 41.1401 178.2843 29 A 4.2676 7.8274 122.2997 54.7701 18.3329 179.6092 30 L 4.0951 8.2707 117.1787 57.5660 41.4904 179.7079 31 T 4.0298 7.8552 116.2806 66.1536 68.5230 177.1114 32 K 4.0063 8.3010 120.6951 59.7000 31.9716 179.3159 33 M 4.0674 8.1336 118.8252 58.2032 31.8508 178.6242 34 A 3.9416 7.8431 120.8440 55.2471 18.6185 179.6345 35 A 3.9495 7.8409 119.1254 55.0211 18.4132 179.7859 36 A 4.0335 8.0418 119.3708 55.2301 18.5760 179.7615 37 A 3.9109 8.3506 119.4115 54.8436 18.1575 179.8623 38 A 3.5129 7.6113 118.7474 55.3165 18.4793 178.9316 39 D 4.3964 8.0960 116.3521 57.5469 41.1975 178.3629 40 A 3.8130 7.7861 121.1812 54.5563 17.9863 179.0233 41 W 3.9237 7.0861 126.1644 60.6842 30.6889 177.6531 42 S 3.5483 7.2774 109.5344 58.1858 62.9987 174.2103 43 A 4.2134 7.1205 125.7974 51.9176 19.1910 176.7665 44 T 4.2339 7.9445 116.1398 60.7553 70.6006 173.1272 45 P 4.4576 0.0000 0.0000 61.5416 32.1533 175.4081 46 P 4.1853 0.0000 0.0000 65.9743 31.2070 178.6687 47 K 4.3001 7.9803 113.5160 57.9359 32.0686 177.1516 48 L 4.7444 8.0260 117.3979 54.1113 43.7332 178.1629 49 E 3.9578 7.8964 119.7135 59.2452 29.4824 178.2973 50 D 4.4395 7.9972 117.2621 55.7306 39.6573 176.9630 51 K 4.2233 7.4483 118.7566 55.3313 33.1845 176.7829 52 S 4.2426 8.3067 116.5095 57.6222 62.9033 173.3246 53 P 4.3841 0.0000 0.0000 64.3138 31.1265 176.3902 54 D 4.6303 7.5809 116.4471 53.8793 42.4149 177.0963 55 S 4.2291 7.5221 114.3780 58.4289 64.6441 173.2492 56 P 4.2637 0.0000 0.0000 66.1228 31.0796 178.4140 57 E 4.0428 8.2222 116.4592 59.9039 29.4097 179.1555 58 M 4.0001 7.7383 117.9117 58.6977 32.0356 178.4333 59 H 4.3452 8.1539 116.2683 59.3093 28.7591 177.4001 60 D 4.5077 8.2722 118.2551 57.0609 41.2025 177.8530 61 F 4.2451 8.5404 121.7619 61.4503 39.4793 177.4429 62 R 4.3543 8.7590 118.1923 59.7082 29.9657 178.4568 63 H 4.4653 8.8619 118.2191 59.3651 29.8505 177.5041 64 G 3.3365 7.8600 107.4699 47.4576 0.0000 175.8346 65 F 4.0734 8.0570 120.0528 60.1215 38.9544 178.0048 66 W 4.3331 8.0787 118.0897 59.7525 28.8324 177.9938 67 C 4.1462 8.3129 118.9687 62.0609 30.9422 175.4217 68 L 3.8705 7.6582 121.6952 58.1317 41.6896 178.8252 69 I 3.7060 8.2001 120.3079 64.3299 37.0362 178.2591 70 G 3.7726 8.2295 106.4265 48.3346 0.0000 175.6080 71 Q 4.0557 8.1168 121.0662 58.3460 28.7149 179.0647 72 I 3.7176 8.3932 121.1348 64.7677 37.1888 178.1957 73 H 4.2207 8.7381 117.1600 58.7253 28.5307 177.5914 74 A 3.9760 8.1833 122.3345 55.1594 18.2364 179.4541 75 A 3.9033 8.2939 119.4503 55.2875 18.4640 179.4375 76 L 3.8829 8.3772 119.1754 58.6472 41.6316 178.5439 77 H 4.0406 8.7602 118.3351 59.4039 29.6565 177.1433 78 L 4.0152 8.0070 120.4138 57.8113 41.3719 179.4333 79 A 4.0185 8.1012 120.7172 55.1808 18.0794 179.3389 80 N 4.2630 8.3889 114.6216 56.1545 38.5758 176.3327 81 E 4.4276 7.4967 117.1738 55.7846 29.7683 177.7601 82 G 3.9284 8.1247 107.2845 46.2350 0.0000 176.1274 83 K 4.2752 7.4952 120.3108 55.4423 30.4120 177.5340 84 V 3.5604 7.8885 123.2378 65.8325 31.9596 177.3994 85 K 4.1603 8.0007 117.7368 59.5163 31.9120 179.0673 86 E 4.0003 8.1305 118.2899 59.0907 29.5275 178.9245 87 A 4.0187 7.9973 120.9127 55.2653 18.4731 179.6979 88 Q 3.9366 8.2710 116.3635 59.0783 28.6403 178.9404 89 A 4.0055 8.2390 121.6306 55.1001 18.2823 179.5769 90 A 3.9899 8.2331 119.0487 54.9473 18.1820 179.7600 91 A 3.9598 7.8796 119.0245 55.3155 18.7218 179.3281 92 E 4.0545 8.2971 117.1850 59.7243 29.3832 179.6386 93 Q 4.0601 8.0063 117.9270 58.5970 28.7121 178.3324 94 L 3.9552 7.7143 120.3981 57.8110 41.5555 179.6645 95 K 3.9253 7.9811 118.0276 59.7225 31.8640 178.9981 96 T 3.8012 7.5952 115.9456 67.4655 68.5320 176.2826 97 T 3.8019 7.7838 116.5434 66.6728 68.5547 176.3485 98 C 3.8718 7.8907 118.5884 63.0881 28.1763 176.1093 99 N 4.3396 8.5829 118.0049 55.8573 38.1674 177.3182 100 A 3.9276 8.2400 122.7773 55.4927 18.3879 179.3369 101 C 4.1972 7.8376 116.6052 62.8634 31.6292 175.4129 102 H 4.2953 8.1469 117.9448 58.9734 28.0571 177.5621 103 Q 3.9869 8.3712 120.8249 58.5069 28.8450 177.8202 104 K 3.9956 7.1527 116.9734 57.6443 32.7912 176.9731 105 Y 4.9053 7.8747 112.3905 57.3504 39.8451 175.6207 106 R 4.2172 7.9719 125.0261 56.4837 30.1203 175.6785 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 A 8.25 4.26 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 2 D 8.41 4.51 0.00 3.04 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 3 L 9.24 3.89 0.00 1.76 1.78 1.08 1.09 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 4 E 8.34 3.97 0.00 2.06 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 0.00 2.43 2.45 0.00 5 D 8.12 4.37 0.00 2.84 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 6 N 8.18 4.37 0.00 2.92 2.96 0.00 0.00 7.07 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 7 M 8.35 4.16 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.97 0.00 8 E 8.35 3.93 0.00 2.10 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 0.00 2.31 2.45 0.00 9 T 7.97 3.87 4.43 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 1.22 0.00 0.00 10 L 8.32 3.96 0.00 2.01 1.76 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.63 4.30 0.00 2.89 2.82 0.00 0.00 7.32 8.50 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 12 D 8.49 4.40 0.00 2.90 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 13 N 8.05 4.48 0.00 2.84 2.95 0.00 0.00 6.62 8.00 0.00 0.00 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 L 7.88 3.97 0.00 2.03 1.79 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.88 4.27 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 16 V 7.53 3.61 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 1.03 0.00 0.00 0.97 0.00 0.00 17 I 7.65 3.74 2.03 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 1.52 0.76 0.91 0.00 0.00 18 E 8.22 4.14 0.00 2.21 2.00 0.00 0.00 0.00 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 2.32 0.00 19 K 7.48 4.49 0.00 1.85 1.90 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.58 7.81 20 A 7.10 4.18 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 21 D 8.55 4.97 0.00 2.72 2.70 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 0.00 0.00 0.00 0.00 22 N 7.73 5.00 0.00 2.95 2.89 0.00 0.00 6.04 7.46 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 23 A 8.62 4.07 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 24 A 8.00 3.92 1.36 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 0.00 0.00 25 Q 8.53 3.89 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 26 V 7.42 3.58 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 1.07 0.00 0.00 0.98 0.00 0.00 27 K 8.33 3.88 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 28 D 8.29 4.31 0.00 2.71 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 29 A 7.83 4.27 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.27 4.10 0.00 1.90 1.74 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.86 4.03 4.38 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 0.00 0.00 1.21 0.00 0.00 32 K 8.30 4.01 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.59 7.81 33 M 8.13 4.07 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 34 A 7.84 3.94 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 0.00 0.00 0.00 0.00 0.00 35 A 7.84 3.95 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 36 A 8.04 4.03 1.39 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 0.00 0.00 37 A 8.35 3.91 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 0.00 0.00 0.00 0.00 0.00 38 A 7.61 3.51 1.28 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 0.00 0.00 39 D 8.10 4.40 0.00 2.91 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 40 A 7.79 3.81 0.77 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 41 W 7.09 3.92 0.00 2.76 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 42 S 7.28 3.55 0.00 3.68 3.35 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 43 A 7.12 4.21 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 44 T 7.94 4.23 4.12 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 1.03 0.00 0.00 45 P 0.00 4.46 0.00 2.14 2.10 0.00 3.01 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 0.00 46 P 0.00 4.19 0.00 2.19 2.15 0.00 3.60 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 2.12 2.12 0.00 47 K 7.98 4.30 0.00 1.90 1.93 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.51 7.81 48 L 8.03 4.74 0.00 1.37 1.38 0.26 0.68 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 49 E 7.90 3.96 0.00 1.95 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 2.28 2.34 0.00 50 D 8.00 4.44 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 51 K 7.45 4.22 0.00 1.87 1.72 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 52 S 8.31 4.24 0.00 3.83 3.70 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 0.00 0.00 0.00 0.00 53 P 0.00 4.38 0.00 2.05 2.04 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 54 D 7.58 4.63 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.52 4.23 0.00 4.23 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 56 P 0.00 4.26 0.00 2.23 2.24 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 57 E 8.22 4.04 0.00 2.01 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 2.52 2.73 0.00 58 M 7.74 4.00 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 59 H 8.15 4.35 0.00 3.44 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.27 4.51 0.00 2.86 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 61 F 8.54 4.25 0.00 2.67 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 62 R 8.76 4.35 0.00 2.32 2.64 0.00 3.45 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 63 H 8.86 4.47 0.00 3.33 3.69 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.86 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 65 F 8.06 4.07 0.00 3.19 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 66 W 8.08 4.33 0.00 3.40 3.18 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 67 C 8.31 4.15 0.00 2.98 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 68 L 7.66 3.87 0.00 1.83 1.75 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.20 3.71 1.92 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.77 0.00 0.00 70 G 8.23 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 71 Q 8.12 4.06 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 72 I 8.39 3.72 2.02 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 1.53 0.60 0.98 0.00 0.00 73 H 8.74 4.22 0.00 3.29 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.18 3.98 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 75 A 8.29 3.90 1.39 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 0.00 0.00 76 L 8.38 3.88 0.00 1.84 1.87 0.91 0.93 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 77 H 8.76 4.04 0.00 3.35 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.01 4.02 0.00 1.98 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.10 4.02 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 80 N 8.39 4.26 0.00 2.75 2.84 0.00 0.00 7.05 7.29 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 81 E 7.50 4.43 0.00 2.13 1.95 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 0.00 2.27 2.39 0.00 82 G 8.12 3.93 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 0.00 0.00 0.00 83 K 7.50 4.28 0.00 1.91 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 84 V 7.89 3.56 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 1.12 0.00 0.00 1.02 0.00 0.00 85 K 8.00 4.16 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 86 E 8.13 4.00 0.00 2.01 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 2.40 2.37 0.00 87 A 8.00 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 3.94 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 89 A 8.24 4.01 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 90 A 8.23 3.99 1.39 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 0.00 0.00 91 A 7.88 3.96 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 92 E 8.30 4.05 0.00 2.17 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 2.50 0.00 93 Q 8.01 4.06 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 94 L 7.71 3.96 0.00 1.89 1.72 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.98 3.93 0.00 1.93 1.84 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 96 T 7.60 3.80 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 1.19 0.00 0.00 97 T 7.78 3.80 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 1.07 0.00 0.00 98 C 7.89 3.87 0.00 3.06 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 99 N 8.58 4.34 0.00 2.68 2.84 0.00 0.00 6.98 7.90 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 0.00 100 A 8.24 3.93 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 0.00 101 C 7.84 4.20 0.00 2.89 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 0.00 102 H 8.15 4.30 0.00 3.35 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.37 3.99 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 104 K 7.15 4.00 0.00 0.91 0.74 0.00 1.47 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.38 7.81 105 Y 7.87 4.91 0.00 3.19 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 0.00 106 R 7.97 4.22 0.00 1.85 2.04 0.00 2.97 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00