NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4477 8.3044 118.1942 55.3315 32.5530 174.4488 1 V 4.2266 7.8263 118.7252 61.0869 34.3887 172.8927 2 L 4.2473 8.2643 127.6278 54.1159 43.4344 176.9737 3 S 4.5419 8.6298 117.6041 57.6236 65.4316 175.1376 4 E 4.2804 8.8212 122.1619 59.3219 29.1710 178.7359 5 G 3.7367 8.1657 105.3614 48.0192 0.0000 175.3217 6 E 3.9048 7.7914 119.9638 58.8089 29.4002 179.4143 7 W 4.4639 8.1085 118.9545 60.0134 29.1156 178.5627 8 Q 4.1380 8.4458 117.9395 58.9696 28.0345 178.8713 9 L 4.0694 7.8106 119.8739 57.7763 41.6632 179.7723 10 V 3.7396 7.9255 118.0952 66.2396 31.5943 178.1971 11 L 4.2309 8.5964 119.0162 57.6912 41.4901 179.1168 12 H 4.2480 8.4968 118.5394 59.5210 29.9507 177.8180 13 V 3.6481 7.7848 114.1311 64.0144 31.2807 178.2131 14 W 4.0497 8.5770 128.0513 60.5994 30.2663 177.8230 15 A 3.9584 8.0224 119.4826 55.0206 18.0281 179.5372 16 K 3.9435 7.4001 116.2856 59.3754 32.0881 179.5764 17 V 2.8676 7.1687 118.4398 65.8058 31.1138 177.6111 18 E 3.8918 7.5166 115.1380 57.8149 29.2615 178.3826 19 A 4.2054 7.5752 120.8841 53.6504 20.2592 177.7202 20 D 4.6493 8.1820 116.9881 51.8018 42.7360 175.2777 21 V 3.4485 8.0000 123.9256 65.9362 31.9677 176.7660 22 A 4.0609 7.9945 119.8399 54.9879 18.2642 179.5700 23 G 3.8572 8.4001 105.6329 47.7733 0.0000 175.5933 24 H 4.1017 8.2342 119.2967 58.2481 28.6930 177.7541 25 G 3.8057 8.3081 107.9768 48.0946 0.0000 175.1002 26 Q 3.8632 7.9291 122.3721 58.8485 29.0893 178.2073 27 D 4.2833 7.9068 119.6474 57.4947 40.7718 179.0925 28 I 3.6610 7.9864 120.4647 64.3234 37.0454 178.5536 29 L 3.4431 7.8167 119.8166 57.5757 41.2796 179.5937 30 I 3.6230 7.7519 120.0258 64.2167 36.9297 178.3403 31 R 3.7536 7.8061 119.4747 59.2750 29.8889 178.0149 32 L 3.8824 7.7818 120.0786 58.4892 41.9156 178.9995 33 F 4.6290 7.8191 117.7229 60.6514 38.5946 177.9749 34 K 4.0334 8.1808 117.6200 59.5395 31.9516 179.3411 35 S 4.2742 8.1583 114.8228 60.3766 64.3252 174.5851 36 H 4.7532 8.4444 118.4913 51.9273 29.1653 171.8675 37 P 4.5801 0.0000 0.0000 64.5097 31.3719 177.5844 38 E 4.0769 8.2315 116.2798 59.3947 29.5673 179.1088 39 T 3.8217 8.1066 111.1241 64.5179 68.8269 176.2976 40 L 3.6807 7.8919 123.2060 57.7336 41.7343 178.7234 41 E 4.0931 7.8835 117.5793 58.8582 29.4202 178.8341 42 K 4.3032 8.0283 117.3112 57.2919 32.9382 177.3607 43 F 4.2572 7.9740 119.2842 55.1672 37.9006 175.7008 44 D 4.3756 8.5213 125.4361 57.2688 40.8761 179.1250 45 R 4.1131 7.7532 113.6259 58.2415 29.8795 177.0107 46 F 5.0287 8.0744 111.8648 55.9825 38.5920 176.5378 47 K 3.9321 8.2978 123.9351 59.7107 31.9734 177.2601 48 H 4.4915 8.1175 112.3902 56.6420 29.1633 175.5531 49 L 4.0449 7.3159 121.3026 55.3427 41.7129 176.9660 50 K 4.2830 9.6771 123.7004 57.5678 33.1911 176.8538 51 T 4.7413 7.2940 107.4724 58.8484 73.2484 174.2455 52 E 3.8765 8.6091 120.3231 59.2617 29.5830 178.3140 53 A 3.9279 7.9449 120.3633 55.3041 18.2772 179.3165 54 E 3.9268 7.8281 115.4471 59.5936 29.8224 179.1678 55 M 4.1285 8.2228 119.0283 58.5512 31.8956 178.9350 56 K 3.9084 8.5482 117.1934 59.0116 32.2808 178.2449 57 A 4.4927 7.5741 118.1422 51.0441 19.2880 176.8743 58 S 4.2481 7.4480 114.1351 57.3989 62.9820 174.5822 59 E 3.9690 8.8083 128.9948 59.3670 29.5831 178.2676 60 D 4.4399 8.0309 118.6832 57.1567 40.9627 178.3425 61 L 2.8519 7.6497 120.8695 57.6283 41.8986 178.9285 62 K 3.8824 7.7156 119.1560 59.2759 32.0661 178.9912 63 K 3.9890 8.1406 118.9105 59.5281 31.9290 179.1457 64 Q 4.2326 8.1930 119.7398 59.0607 28.9834 178.3741 65 G 3.5981 8.2202 106.9455 47.7578 0.0000 175.9024 66 V 3.6230 7.6348 120.5500 66.0305 31.6978 178.1644 67 T 3.9321 8.0764 115.5485 66.6456 68.2465 176.7258 68 V 3.6548 8.1831 120.2067 66.1969 31.5893 178.1652 69 L 4.2606 8.1513 118.7488 58.1026 41.4227 179.6905 70 T 3.9522 8.5338 116.0304 66.4959 68.2768 176.6343 71 A 3.9650 7.9885 122.4064 55.0567 18.4007 179.3361 72 L 3.7009 8.3525 119.4679 58.1906 42.0577 179.3623 73 G 3.3683 8.4413 105.5865 47.8251 0.0000 175.5302 74 A 3.9949 7.7819 122.1040 54.6974 18.7398 179.5985 75 I 3.8124 7.3627 118.3704 64.4406 37.1779 178.5322 76 L 4.0018 7.7829 119.9866 57.6901 41.2419 179.4866 77 K 4.0432 7.8007 116.4161 58.2195 32.2034 178.7057 78 K 3.9547 7.7497 118.4813 56.1302 32.5065 176.6897 79 K 2.0000 8.4783 118.2079 56.3339 29.6624 176.1932 80 G 3.9590 7.9932 106.0039 45.7969 0.0000 173.7925 81 H 4.5886 7.3695 119.2165 55.3980 27.7158 175.0074 82 H 5.2566 7.1069 111.0108 54.5963 29.2556 176.3236 83 E 3.9747 8.6090 121.6826 60.2799 28.9388 179.1283 84 A 4.0359 7.9025 118.2937 55.3728 17.5429 179.1082 85 E 4.0992 8.1678 116.5862 59.4964 29.5960 179.4395 86 L 4.3763 8.1495 119.1476 57.5006 41.6131 179.1890 87 K 3.9051 7.7940 118.1375 59.3635 32.0978 177.4724 88 P 4.3353 0.0000 0.0000 65.6548 31.3430 178.2379 89 L 4.0197 7.5729 120.1559 57.8988 41.9673 178.6894 90 A 4.2179 8.6588 121.1114 55.2572 18.2673 179.3537 91 Q 3.8904 8.2179 118.2375 59.4400 29.1946 178.7353 92 S 3.9942 8.1908 115.2773 61.8059 63.0336 176.1479 93 H 4.2234 8.6513 119.6292 58.0766 28.1927 177.6545 94 A 2.6922 7.9962 122.2568 54.3836 18.5729 178.7758 95 T 3.9456 7.6339 109.3027 62.6126 67.9919 175.0340 96 K 4.1200 7.3699 120.0875 58.4697 33.2908 177.0054 97 H 4.2329 8.2780 116.1544 56.6198 29.2609 175.3569 98 K 3.3274 7.4561 117.5942 56.7304 28.1925 174.1080 99 I 4.3361 8.2170 119.4928 58.5145 38.4259 174.7335 100 P 4.5338 0.0000 0.0000 62.3620 32.0835 177.3879 101 I 3.6665 8.4961 120.7937 64.5850 37.0007 178.2705 102 K 3.7519 8.0254 119.8543 60.0367 31.7282 178.1624 103 Y 4.1757 7.9717 116.6761 60.8628 37.8489 178.1980 104 L 4.1688 7.8969 119.7039 57.6869 41.7632 179.1607 105 E 4.0174 8.0739 118.7520 59.2923 29.3933 179.2912 106 F 4.5137 7.6380 117.6328 60.8786 38.9748 177.6806 107 I 3.8598 8.2468 118.1277 63.9456 37.7016 178.0589 108 S 4.1983 8.0859 116.2530 61.5055 62.6860 176.1669 109 E 4.0019 8.4199 121.7788 59.3755 29.3856 178.7820 110 A 4.0708 8.1550 120.7552 54.9990 18.3485 179.7948 111 I 3.6855 7.9812 118.6127 64.7983 37.2233 178.7649 112 I 3.8900 7.8979 120.6790 64.4317 36.8732 178.0404 113 H 4.1184 8.4100 119.2279 59.3363 29.7832 177.5941 114 V 3.5677 8.0351 120.1130 65.8965 31.3164 177.8948 115 L 3.7707 7.8258 118.7720 57.9094 41.0772 178.8637 116 H 4.3820 7.9350 116.9643 59.6152 29.8837 177.2089 117 S 4.1971 7.6868 115.5363 61.6021 62.8092 176.4505 118 R 4.0925 8.2370 119.2871 57.5201 31.1511 176.4055 119 H 5.0380 8.4622 116.1352 53.7163 29.5862 172.9534 120 P 4.2865 0.0000 0.0000 65.8889 31.6225 179.2666 121 G 3.6405 8.2213 106.7988 47.7069 0.0000 173.6808 122 N 5.0543 8.3088 114.4770 52.8126 39.6002 174.5171 123 F 4.9740 7.8655 119.4048 56.6274 39.6156 174.4903 124 G 3.8844 7.7700 108.4926 43.9654 0.0000 172.4846 125 A 3.8798 8.3594 120.6730 55.3707 18.3251 179.6141 126 D 4.1896 7.9779 116.6280 57.4350 40.9093 178.7678 127 A 3.9373 7.7634 120.8160 55.0504 18.3714 179.2914 128 Q 3.0868 7.8413 118.5049 58.8026 28.9236 178.5088 129 G 3.5967 8.1568 106.8406 47.8433 0.0000 175.5206 130 A 3.8278 7.8279 123.1589 54.8191 18.3346 179.1398 131 M 3.9652 8.1162 116.8948 59.0273 32.3133 177.8828 132 N 4.3112 8.4535 117.2424 56.7605 39.0287 176.9415 133 K 3.8967 8.2501 119.8872 59.2824 32.1258 179.0722 134 A 3.7774 8.1629 121.4586 55.2910 18.1960 179.7478 135 L 4.1577 8.3195 117.6571 57.6904 41.6274 179.4411 136 E 3.9559 8.3799 118.7973 59.2381 29.3386 178.9320 137 L 3.9186 8.1672 120.5584 58.2311 42.1389 178.4396 138 F 4.1244 8.2470 120.3105 61.7355 39.1883 177.2232 139 R 3.3747 8.2959 117.6189 58.8923 29.8352 179.0065 140 K 3.8028 8.1241 119.3902 59.7611 32.3671 178.7121 141 D 4.3535 8.2856 119.4125 57.2491 40.6264 178.9028 142 I 3.5128 7.5545 120.3396 63.9473 36.9974 178.1703 143 A 3.6720 7.9504 121.8382 55.0775 18.2977 179.6054 144 A 3.9776 7.9271 119.2322 55.0457 18.3219 180.1201 145 K 4.8211 7.7722 118.0792 59.2368 32.1028 178.7990 146 Y 4.4695 8.3669 117.6887 61.3897 37.9834 178.8288 147 K 3.9152 8.1466 119.9998 59.8891 32.2309 178.6341 148 E 4.0557 8.1034 118.1325 59.1815 29.1420 178.8548 149 L 4.2450 8.0240 117.6534 55.6279 41.8162 177.9047 150 G 3.9700 8.0283 106.9463 45.2507 0.0000 172.3482 151 Y 4.5490 7.6152 119.6204 56.3582 41.1885 175.9740 152 Q 2.6851 7.2649 125.0090 54.5406 30.9147 175.8428 153 G 3.7778 8.0533 111.6055 46.3730 0.0000 173.2735 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 0 M 8.30 4.45 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.83 4.23 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.25 0.00 0.80 0.51 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.63 4.54 0.00 4.07 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 4 E 8.82 4.28 0.00 2.19 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 2.43 2.52 0.00 5 G 8.17 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 6 E 7.79 3.90 0.00 2.06 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 0.00 2.22 2.26 0.00 7 W 8.11 4.46 0.00 3.58 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 Q 8.45 4.14 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 9 L 7.81 4.07 0.00 1.81 1.76 0.90 1.20 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 10 V 7.93 3.74 2.40 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 1.16 0.00 0.00 0.97 0.00 0.00 11 L 8.60 4.23 0.00 1.83 1.82 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.50 4.25 0.00 3.40 3.54 0.00 5.78 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 13 V 7.78 3.65 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 1.03 0.00 0.00 1.29 0.00 0.00 14 W 8.58 4.05 0.00 3.60 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 15 A 8.02 3.96 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 16 K 7.40 3.94 0.00 1.62 1.69 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 17 V 7.17 2.87 1.05 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 -0.01 0.00 0.00 0.44 0.00 0.00 18 E 7.52 3.89 0.00 1.98 1.90 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 2.21 2.08 0.00 19 A 7.58 4.21 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 20 D 8.18 4.65 0.00 2.64 2.51 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 21 V 8.00 3.45 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 1.04 0.00 0.00 0.82 0.00 0.00 22 A 7.99 4.06 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 23 G 8.40 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 24 H 8.23 4.10 0.00 3.24 3.23 0.00 5.85 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 25 G 8.31 3.81 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 0.00 0.00 0.00 26 Q 7.93 3.86 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.91 4.28 0.00 2.81 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 28 I 7.99 3.66 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.89 0.00 0.00 29 L 7.82 3.44 0.00 1.40 1.05 0.82 0.51 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 30 I 7.75 3.62 1.86 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 1.41 0.74 0.88 0.00 0.00 31 R 7.81 3.75 0.00 1.92 1.99 0.00 3.01 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 32 L 7.78 3.88 0.00 1.65 1.40 1.06 1.21 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 33 F 7.82 4.63 0.00 3.02 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 34 K 8.18 4.03 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 35 S 8.16 4.27 0.00 3.77 3.59 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 0.00 0.00 0.00 0.00 36 H 8.44 4.75 0.00 2.83 2.66 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 37 P 0.00 4.58 0.00 2.16 2.13 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 38 E 8.23 4.08 0.00 2.33 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 2.34 2.55 0.00 39 T 8.11 3.82 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 0.81 0.00 0.00 40 L 7.89 3.68 0.00 1.16 1.76 0.31 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.09 0.00 2.01 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 0.00 2.38 2.63 0.00 42 K 8.03 4.30 0.00 1.85 1.62 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.66 1.93 7.81 43 F 7.97 4.26 0.00 2.87 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 0.00 0.00 0.00 0.00 44 D 8.52 4.38 0.00 2.56 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 45 R 7.75 4.11 0.00 1.98 2.05 0.00 3.10 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.98 0.00 46 F 8.07 5.03 0.00 2.93 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 47 K 8.30 3.93 0.00 1.83 1.91 0.00 1.78 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.44 7.81 48 H 8.12 4.49 0.00 3.34 3.43 0.00 5.59 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 49 L 7.32 4.04 0.00 1.58 1.59 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.68 4.28 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.56 7.81 51 T 7.29 4.74 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 52 E 8.61 3.88 0.00 2.05 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 2.36 2.36 0.00 53 A 7.94 3.93 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 54 E 7.83 3.93 0.00 2.11 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 2.34 2.34 0.00 55 M 8.22 4.13 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 56 K 8.55 3.91 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.61 7.81 57 A 7.57 4.49 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 58 S 7.45 4.25 0.00 3.81 3.79 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 59 E 8.81 3.97 0.00 2.07 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 2.37 2.39 0.00 60 D 8.03 4.44 0.00 2.83 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 61 L 7.65 2.85 0.00 1.10 1.46 0.82 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.72 3.88 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.14 3.99 0.00 2.06 1.90 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.67 7.81 64 Q 8.19 4.23 0.00 2.57 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.88 2.69 0.00 65 G 8.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.62 2.23 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 1.08 0.00 0.00 0.95 0.00 0.00 67 T 8.08 3.93 4.50 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 0.00 0.00 0.00 1.31 0.00 0.00 68 V 8.18 3.65 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 1.18 0.00 0.00 1.15 0.00 0.00 69 L 8.15 4.26 0.00 1.80 1.84 0.92 0.81 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 70 T 8.53 3.95 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 1.26 0.00 0.00 71 A 7.99 3.97 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 72 L 8.35 3.70 0.00 1.56 1.74 0.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.37 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 0.00 74 A 7.78 3.99 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 75 I 7.36 3.81 1.82 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 1.52 1.10 0.89 0.00 0.00 76 L 7.78 4.00 0.00 1.23 1.56 -0.26 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 4.04 0.00 1.84 1.81 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.60 7.81 78 K 7.75 3.95 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.75 7.81 79 K 8.48 2.00 0.00 1.19 0.74 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.66 7.81 80 G 7.99 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 81 H 7.37 4.59 0.00 3.24 3.23 0.00 5.81 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 82 H 7.11 5.26 0.00 3.33 3.48 0.00 5.68 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 83 E 8.61 3.97 0.00 2.09 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 2.43 2.50 0.00 84 A 7.90 4.04 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 85 E 8.17 4.10 0.00 2.27 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 0.00 2.41 2.47 0.00 86 L 8.15 4.38 0.00 2.09 1.75 1.00 0.72 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 87 K 7.79 3.91 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 88 P 0.00 4.34 0.00 2.30 2.33 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.57 4.02 0.00 2.07 1.95 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.66 4.22 1.48 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 0.00 0.00 91 Q 8.22 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.19 3.99 0.00 4.00 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 93 H 8.65 4.22 0.00 3.63 3.62 0.00 5.80 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 94 A 8.00 2.69 0.82 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 0.00 0.00 95 T 7.63 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 1.12 0.00 0.00 96 K 7.37 4.12 0.00 1.54 1.67 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.22 7.81 97 H 8.28 4.23 0.00 2.96 3.09 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.46 3.33 0.00 1.77 1.76 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.30 7.81 99 I 8.22 4.34 2.12 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 1.51 0.93 1.17 0.00 0.00 100 P 0.00 4.53 0.00 1.95 1.98 0.00 3.27 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 0.88 1.47 0.00 101 I 8.50 3.67 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.81 0.00 0.00 102 K 8.03 3.75 0.00 1.71 1.64 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.60 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 0.61 7.81 103 Y 7.97 4.18 0.00 3.28 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 0.00 104 L 7.90 4.17 0.00 1.83 1.80 0.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.07 4.02 0.00 2.02 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 2.42 0.00 106 F 7.64 4.51 0.00 3.18 2.89 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 0.00 0.00 0.00 107 I 8.25 3.86 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 1.09 0.00 0.00 108 S 8.09 4.20 0.00 4.22 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 0.00 109 E 8.42 4.00 0.00 2.18 2.38 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 2.40 2.43 0.00 110 A 8.15 4.07 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 0.00 111 I 7.98 3.69 2.10 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 1.62 0.85 1.04 0.00 0.00 112 I 7.90 3.89 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.76 1.12 0.00 0.00 113 H 8.41 4.12 0.00 3.39 3.49 0.00 5.78 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 0.00 114 V 8.04 3.57 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 0.78 0.00 0.00 1.04 0.00 0.00 115 L 7.83 3.77 0.00 0.46 0.42 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.93 4.38 0.00 3.54 3.67 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.69 4.20 0.00 4.00 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 0.00 118 R 8.24 4.09 0.00 1.44 1.66 0.00 3.10 0.00 0.00 2.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 119 H 8.46 5.04 0.00 3.15 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.20 2.27 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.22 3.64 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 0.00 0.00 0.00 122 N 8.31 5.05 0.00 2.77 2.92 0.00 0.00 6.71 6.97 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 0.00 123 F 7.87 4.97 0.00 2.90 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 0.00 124 G 7.77 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 0.00 125 A 8.36 3.88 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 0.00 126 D 7.98 4.19 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 127 A 7.76 3.94 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 0.00 128 Q 7.84 3.09 0.00 1.18 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 129 G 8.16 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.83 3.83 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 0.00 131 M 8.12 3.97 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.94 0.00 132 N 8.45 4.31 0.00 2.90 2.95 0.00 0.00 7.32 6.52 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 0.00 133 K 8.25 3.90 0.00 1.72 1.70 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.63 7.81 134 A 8.16 3.78 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 0.00 135 L 8.32 4.16 0.00 1.75 1.83 1.00 0.99 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 0.00 136 E 8.38 3.96 0.00 2.14 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 2.34 2.59 0.00 137 L 8.17 3.92 0.00 1.75 1.95 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.25 4.12 0.00 3.14 3.25 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 0.00 139 R 8.30 3.37 0.00 1.91 1.82 0.00 3.15 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 140 K 8.12 3.80 0.00 1.80 1.98 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.29 4.35 0.00 2.74 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 0.00 142 I 7.55 3.51 1.24 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.32 0.14 0.00 0.00 143 A 7.95 3.67 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 0.00 144 A 7.93 3.98 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 0.00 145 K 7.77 4.82 0.00 1.93 1.92 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 146 Y 8.37 4.47 0.00 3.07 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 0.00 147 K 8.15 3.92 0.00 1.86 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 8.10 4.06 0.00 2.25 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 2.34 2.48 0.00 149 L 8.02 4.24 0.00 1.79 1.72 1.00 1.17 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 0.00 150 G 8.03 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 0.00 0.00 0.00 151 Y 7.62 4.55 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.26 2.69 0.00 1.32 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 1.83 2.29 0.00 153 G 8.05 3.78 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 0.00 0.00 0.00