NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3778 8.1933 115.2800 57.8558 63.9055 174.4685 2 I 3.1739 8.1862 128.6819 64.0750 37.0158 176.7333 3 Q 4.2258 8.1396 118.6939 57.7566 29.6176 176.5400 4 A 4.2410 7.3452 119.6196 53.1793 19.6361 177.6923 5 E 3.6954 7.5175 117.3720 55.6866 29.6744 178.1159 6 E 3.9166 8.3767 121.8066 58.4852 30.0534 177.5694 7 W 4.6069 7.1139 115.0986 56.4954 28.7765 174.7069 8 Y 5.1598 7.5537 121.6921 57.1022 37.8881 174.7482 9 F 4.4757 9.3426 126.3252 56.4685 40.4868 178.1068 10 G 3.3461 5.5900 110.8470 46.9039 0.0000 176.6347 11 K 4.4812 8.5261 119.5805 54.4535 30.4280 175.1992 12 I 4.5895 7.2767 114.2066 58.3992 40.8572 177.0376 13 T 4.2913 8.0781 112.8045 60.8354 71.1742 175.8293 14 R 3.7609 8.6799 120.9613 59.6200 29.9501 178.4561 15 R 3.8670 7.9216 117.9409 59.3324 30.1213 177.8533 16 E 3.9387 8.1930 119.3233 59.3164 29.7097 178.8106 17 S 4.1455 8.5612 114.6837 61.7375 62.8292 176.4046 18 E 3.9947 8.4574 122.2456 58.9093 28.9487 179.2159 19 R 3.8868 8.0328 118.2977 59.5220 30.2334 178.3343 20 L 4.1808 7.8638 117.5823 57.7730 41.7277 179.1299 21 L 4.1949 7.9215 117.7561 56.5344 42.8149 178.2639 22 L 4.5072 7.9182 120.9545 52.9799 39.3351 176.4453 23 N 4.8736 7.2901 117.6535 51.3199 41.2320 174.6891 24 A 4.2861 8.8333 128.9048 55.0493 18.4918 177.8164 25 E 4.1497 8.6604 114.0325 57.5285 29.9387 176.5151 26 N 4.5380 8.3789 118.2873 51.7542 38.7443 173.4856 27 P 4.5086 0.0000 0.0000 61.5925 32.5655 175.8016 28 R 3.8707 8.1129 117.7277 57.9404 30.3442 177.6665 29 G 4.1231 9.1227 109.4570 46.4683 0.0000 173.5116 30 T 4.7093 7.5360 117.8612 63.9308 69.6989 173.4773 31 F 5.7043 8.9344 119.4212 56.6368 42.1884 172.4277 32 L 4.5447 8.2261 117.2473 54.7467 43.5846 173.9721 33 V 5.2294 9.2888 120.1650 61.3001 34.7232 174.5432 34 R 5.0196 9.1875 122.9117 54.2699 33.6168 173.9781 35 E 4.6425 8.9992 119.2252 56.1415 30.1379 177.4349 36 S 4.2556 8.3711 118.3819 58.5834 62.4549 174.4927 37 E 4.1641 9.0362 126.3013 58.5912 29.5952 177.6888 38 T 4.4190 7.8305 106.2192 61.2989 70.9306 173.9885 39 T 4.5063 8.1634 120.6743 60.9233 70.2688 173.7905 40 K 4.1435 8.4592 126.4892 58.0644 33.1928 176.9167 41 G 3.8387 8.8576 110.1219 45.1056 0.0000 173.1681 42 A 4.5637 7.3275 120.8506 51.0187 21.7367 175.1899 43 Y 5.3180 8.8173 115.8289 56.8500 43.0963 174.4204 44 C 5.3859 9.7226 116.6496 58.3226 33.0009 173.3860 45 L 5.0487 9.2736 125.4790 53.7749 43.7912 174.9789 46 S 5.2489 8.9118 123.1770 56.9444 65.2937 173.5744 47 V 5.1024 8.7598 124.3547 61.0334 34.9163 174.6792 48 S 4.9508 9.2941 122.6769 58.2411 64.7695 172.4745 49 D 5.2422 9.3843 120.9770 53.0886 45.5533 173.8051 50 F 5.5400 8.7644 122.2143 57.8087 42.3062 172.5762 51 D 4.6838 7.6236 124.0765 52.0061 42.6886 176.1284 52 N 4.0760 8.8058 116.2834 56.3609 38.3477 176.5081 53 A 3.9523 7.5732 119.5326 55.0594 18.6595 178.3397 54 K 4.0442 9.0762 115.1634 55.9723 33.4895 179.3599 55 G 3.2693 8.0333 108.4940 44.5451 0.0000 171.6983 56 L 4.8628 8.4420 122.7699 55.2678 42.8775 177.3046 57 N 5.0773 9.2632 122.7299 51.9069 41.4379 173.0567 58 V 4.9187 8.2283 117.8981 61.0302 34.6664 174.5168 59 K 4.5807 8.7980 124.7548 54.7636 35.9904 174.7200 60 H 5.1906 8.2608 119.2264 54.1794 31.7856 172.5294 61 Y 4.6952 8.9044 120.9551 55.8389 41.1176 174.8309 62 K 4.6790 8.7688 125.3533 56.1884 34.0224 175.1672 63 I 4.5847 8.9880 128.7986 59.8497 39.2157 175.1964 64 R 4.4996 8.7673 127.0310 55.0001 32.0199 175.5700 65 K 4.4699 8.1077 122.2606 54.5935 34.7268 175.4551 66 L 4.5045 9.0471 128.4522 53.7836 42.9985 177.9910 67 D 4.3789 8.6979 121.5096 57.3212 41.0950 178.3076 68 S 4.1826 7.9301 114.1151 59.6268 62.9979 174.5967 69 G 4.0731 8.1526 108.3781 45.3614 0.0000 174.6227 70 G 4.0062 8.1858 107.4310 46.1111 0.0000 172.5854 71 F 5.5741 9.2198 122.4791 55.7991 41.8290 174.3186 72 Y 5.2290 8.6897 119.5285 57.0188 41.0250 175.4323 73 I 4.2053 9.0088 121.0611 62.6506 38.2736 176.2060 74 T 4.7929 7.8277 114.4602 59.7248 69.1951 174.9167 75 S 2.7900 8.5847 122.8105 60.6804 62.9377 175.7184 76 R 3.9263 7.3426 118.5515 58.1958 29.8832 176.8425 77 T 4.1608 7.6838 113.6786 61.5103 69.5978 173.0054 78 Q 4.8519 7.7078 123.9165 53.9467 31.4863 175.3052 79 F 4.8674 8.7438 117.5032 55.8688 42.7645 176.0405 80 N 4.7403 8.5353 119.8706 55.1737 38.9786 175.9101 81 S 4.4397 7.6887 112.2027 55.7457 67.0949 174.6515 82 L 3.4215 7.2315 123.7098 58.0464 41.6709 179.1815 83 Q 4.1632 7.8724 117.7123 59.1184 28.6974 178.5603 84 Q 3.9255 8.2179 119.2001 58.6284 28.7056 178.5158 85 L 2.4400 7.5087 121.3882 57.4987 42.0975 179.1410 86 V 3.1245 7.5244 118.0777 65.7100 31.0934 177.6911 87 A 3.8532 7.6601 119.3940 55.3201 18.5095 178.6754 88 Y 3.9262 7.7542 117.9524 61.0115 38.8485 177.5876 89 Y 4.4881 7.6838 117.5574 59.2392 37.7730 177.4505 90 S 4.6952 7.3165 116.1369 58.9219 63.2144 174.6270 91 K 4.2811 7.4972 119.7956 56.4142 33.5506 176.2087 92 H 4.6570 7.4238 115.0975 53.5524 31.9790 174.2237 93 A 4.0360 8.7271 127.1466 54.0574 19.8996 179.7952 94 D 4.6113 7.8333 112.7589 55.9053 40.4375 175.3990 95 G 3.9335 8.9835 116.7080 46.5267 0.0000 173.6080 96 L 3.9078 8.0308 121.4879 53.9584 42.2129 177.9844 97 C 4.2606 8.6863 116.1332 61.2737 29.7868 173.3708 98 H 4.4324 7.1112 116.9642 54.9617 32.5326 173.6316 99 R 4.1236 7.6319 120.5008 55.7951 30.2370 175.6705 100 L 3.9855 8.4649 120.7559 56.0147 42.0058 175.6219 101 T 4.4862 9.2083 114.2047 61.3201 69.9381 174.3418 102 T 4.8642 8.0377 112.8679 58.9235 71.9437 173.4233 103 V 3.5007 8.2546 125.5254 62.5163 32.2487 175.3084 104 C 4.2723 8.3037 128.6826 58.9254 31.9467 171.7920 105 P 4.5309 0.0000 0.0000 62.6839 31.8336 176.6095 106 T 4.1976 8.3529 116.4268 64.0457 68.4436 174.8250 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 4.38 0.00 3.83 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 2 I 8.19 3.17 1.52 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 1.15 0.47 -0.27 0.00 0.00 3 Q 8.14 4.23 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 4 A 7.35 4.24 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 5 E 7.52 3.70 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 2.16 1.63 0.00 6 E 8.38 3.92 0.00 2.04 2.02 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 2.37 2.30 0.00 7 W 7.11 4.61 0.00 3.53 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 8 Y 7.55 5.16 0.00 2.69 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 9 F 9.34 4.48 0.00 2.75 2.96 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 10 G 5.59 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 0.00 0.00 0.00 11 K 8.53 4.48 0.00 1.77 1.77 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 12 I 7.28 4.59 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 1.00 0.00 0.00 13 T 8.08 4.29 4.36 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 1.21 0.00 0.00 14 R 8.68 3.76 0.00 1.82 2.01 0.00 3.01 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.00 15 R 7.92 3.87 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.19 3.94 0.00 2.16 2.13 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 2.35 2.42 0.00 17 S 8.56 4.15 0.00 4.02 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 18 E 8.46 3.99 0.00 2.18 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 0.00 2.39 2.59 0.00 19 R 8.03 3.89 0.00 1.91 2.11 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 L 7.86 4.18 0.00 1.84 1.77 1.16 0.97 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 21 L 7.92 4.19 0.00 1.68 1.72 0.89 0.83 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 22 L 7.92 4.51 0.00 1.68 1.67 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.29 4.87 0.00 2.70 2.66 0.00 0.00 6.91 8.15 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 24 A 8.83 4.29 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 25 E 8.66 4.15 0.00 2.07 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 2.32 2.34 0.00 26 N 8.38 4.54 0.00 2.79 2.78 0.00 0.00 6.98 7.88 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 27 P 0.00 4.51 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 28 R 8.11 3.87 0.00 1.50 1.74 0.00 3.42 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 29 G 9.12 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 0.00 0.00 0.00 0.00 30 T 7.54 4.71 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 31 F 8.93 5.70 0.00 3.22 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 8.23 4.54 0.00 0.59 0.69 0.73 -0.08 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 33 V 9.29 5.23 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 1.31 0.00 0.00 1.06 0.00 0.00 34 R 9.19 5.02 0.00 2.01 1.98 0.00 3.05 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 35 E 9.00 4.64 0.00 1.94 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 2.52 2.48 0.00 36 S 8.37 4.26 0.00 3.86 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 37 E 9.04 4.16 0.00 1.99 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 2.28 0.00 38 T 7.83 4.42 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 8.16 4.51 4.20 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 1.17 0.00 0.00 40 K 8.46 4.14 0.00 1.83 1.79 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.36 7.81 41 G 8.86 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 0.00 0.00 0.00 42 A 7.33 4.56 1.26 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 43 Y 8.82 5.32 0.00 3.12 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 44 C 9.72 5.39 0.00 2.86 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 45 L 9.27 5.05 0.00 1.77 1.65 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.91 5.25 0.00 3.82 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 47 V 8.76 5.10 2.27 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 1.07 0.00 0.00 1.08 0.00 0.00 48 S 9.29 4.95 0.00 3.93 3.99 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 49 D 9.38 5.24 0.00 2.76 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 50 F 8.76 5.54 0.00 3.08 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 51 D 7.62 4.68 0.00 2.68 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 52 N 8.81 4.08 0.00 2.72 2.90 0.00 0.00 6.86 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 7.57 3.95 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 54 K 9.08 4.04 0.00 1.71 1.78 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.31 7.81 55 G 8.03 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 56 L 8.44 4.86 0.00 1.92 1.70 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.26 5.08 0.00 2.79 2.82 0.00 0.00 5.97 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 58 V 8.23 4.92 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 0.65 0.00 0.00 0.92 0.00 0.00 59 K 8.80 4.58 0.00 1.61 1.14 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.54 7.81 60 H 8.26 5.19 0.00 2.87 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.90 4.70 0.00 2.90 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 62 K 8.77 4.68 0.00 1.88 1.72 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.50 7.81 63 I 8.99 4.58 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 1.21 0.00 0.00 64 R 8.77 4.50 0.00 0.67 1.45 0.00 3.11 0.00 0.00 3.04 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 8.11 4.47 0.00 1.37 1.66 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.07 1.25 7.81 66 L 9.05 4.50 0.00 1.74 1.62 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.70 4.38 0.00 2.65 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 68 S 7.93 4.18 0.00 3.87 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 69 G 8.15 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 0.00 0.00 0.00 70 G 8.19 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 0.00 0.00 0.00 71 F 9.22 5.57 0.00 3.20 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 72 Y 8.69 5.23 0.00 3.41 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 73 I 9.01 4.21 1.91 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.96 0.00 0.00 74 T 7.83 4.79 4.34 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 1.33 0.00 0.00 75 S 8.58 2.79 0.00 3.46 3.40 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 76 R 7.34 3.93 0.00 1.79 1.96 0.00 3.22 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 77 T 7.68 4.16 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 0.76 0.00 0.00 78 Q 7.71 4.85 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 79 F 8.74 4.87 0.00 3.27 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 80 N 8.54 4.74 0.00 3.13 2.97 0.00 0.00 6.74 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 81 S 7.69 4.44 0.00 3.90 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 82 L 7.23 3.42 0.00 0.86 1.48 0.80 0.36 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 7.87 4.16 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.92 0.00 84 Q 8.22 3.93 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 85 L 7.51 2.44 0.00 1.47 1.57 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.52 3.12 1.67 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 0.22 0.00 0.00 -0.14 0.00 0.00 87 A 7.66 3.85 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 88 Y 7.75 3.93 0.00 2.93 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 0.00 0.00 0.00 89 Y 7.68 4.49 0.00 2.90 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 90 S 7.32 4.70 0.00 3.84 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 91 K 7.50 4.28 0.00 1.53 1.50 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 92 H 7.42 4.66 0.00 2.67 3.15 0.00 5.62 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 8.73 4.04 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 7.83 4.61 0.00 3.08 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 0.00 0.00 0.00 95 G 8.98 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 96 L 8.03 3.91 0.00 1.63 1.37 0.45 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.69 4.26 0.00 3.38 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 98 H 7.11 4.43 0.00 3.11 3.16 0.00 5.76 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 7.63 4.12 0.00 2.06 1.92 0.00 3.14 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 100 L 8.46 3.99 0.00 1.08 0.39 0.15 0.39 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 0.00 101 T 9.21 4.49 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 1.34 0.00 0.00 102 T 8.04 4.86 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 1.25 0.00 0.00 103 V 8.25 3.50 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 0.93 0.00 0.00 0.98 0.00 0.00 104 C 8.30 4.27 0.00 2.91 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 0.00 105 P 0.00 4.53 0.00 2.11 1.99 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 106 T 8.35 4.20 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 1.14 0.00 0.00