NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5197 8.1933 115.4252 57.9440 64.8050 174.2661 1 T 3.7682 8.6785 117.2286 65.2165 68.0639 175.0910 2 S 4.6773 8.8168 118.8193 61.2636 63.5190 175.9991 3 A 3.7103 7.9707 124.9429 53.9871 18.0879 179.6625 4 K 3.8439 8.1335 117.1147 59.8079 32.1294 179.4589 5 R 3.9178 8.0885 118.7753 59.3764 29.8348 178.6668 6 I 3.2447 7.7284 119.6444 64.2001 37.0683 177.9163 7 Q 3.9365 8.0724 120.5300 59.2155 28.7838 178.5148 8 K 3.9413 8.1143 120.3336 59.7504 32.2799 178.6917 9 E 4.1240 8.5716 119.0566 59.0479 29.3223 179.1412 10 L 4.1262 8.4787 120.7688 58.1327 42.1972 178.8300 11 A 3.9832 8.0972 120.7645 54.9969 18.2542 179.1211 12 E 3.8401 8.1915 117.7948 59.7076 29.8745 179.0528 13 I 3.8301 8.0368 118.4537 64.0948 37.7986 177.9924 14 T 3.9633 7.8428 116.2907 66.3747 68.3369 176.1239 15 L 4.2141 7.7475 121.1696 57.0151 43.5597 176.9789 16 D 4.8717 7.9316 117.1306 51.4328 41.1315 173.5039 17 P 4.6182 0.0000 0.0000 61.1457 32.2552 175.7410 18 P 4.4836 0.0000 0.0000 61.6430 32.0107 174.4846 19 P 4.2758 0.0000 0.0000 64.1583 31.8728 176.0033 20 N 4.3642 9.1681 117.0729 54.0047 36.0246 172.9407 21 C 5.4576 7.7618 116.2298 58.2463 34.9885 173.1217 22 S 4.9315 9.0986 118.4694 57.2575 66.6206 172.4365 23 A 4.9759 8.0041 120.1654 51.4355 22.0487 175.5073 24 G 2.9819 8.3335 106.6230 44.5530 0.0000 170.9456 25 P 4.7020 0.0000 0.0000 62.5510 31.2308 177.7747 26 K 4.1334 9.1946 123.0175 59.1200 32.6282 177.6853 27 G 4.0193 7.2175 106.4247 45.8399 0.0000 173.7074 28 D 4.2913 8.8786 119.2939 56.6240 41.4841 175.9232 29 N 4.6105 7.6222 115.1378 52.8568 37.8603 175.1919 30 I 3.9666 8.3585 126.5924 63.4114 38.4305 176.2837 31 Y 4.2564 8.7778 117.1415 59.4006 38.2156 174.2938 32 E 5.1538 8.5815 120.2183 54.5695 32.1118 175.2178 33 W 5.4089 9.4967 124.6935 54.8557 33.2780 174.7632 34 R 5.1558 8.9620 120.8860 54.8050 33.3192 174.0880 35 S 5.2284 9.0696 117.0593 56.8909 66.6700 172.5007 36 T 5.2110 8.9066 121.6678 61.8983 71.3622 173.2045 37 I 5.1272 8.8185 126.7854 59.4907 40.6622 174.7627 38 L 4.8620 9.0478 127.9054 53.6839 42.6979 177.2136 39 G 4.0857 9.0972 111.0637 45.8179 0.0000 171.7794 40 P 4.4704 0.0000 0.0000 62.1286 32.0150 174.2010 41 P 4.6050 0.0000 0.0000 63.8806 31.7260 176.2535 42 G 3.9530 11.0674 110.1348 46.6110 0.0000 173.3908 43 S 4.7991 7.5494 113.0445 55.5863 65.4673 175.2907 44 V 3.5467 8.0588 113.2992 63.9117 31.2689 176.8798 45 Y 5.0212 7.4256 115.2505 56.5175 38.3355 175.0246 46 E 4.0956 7.7785 121.2963 58.1120 29.9572 177.2833 47 G 4.0672 9.1103 113.6374 45.4044 0.0000 173.9073 48 G 3.6833 8.2046 107.4368 45.8391 0.0000 173.0323 49 V 4.6097 7.9864 122.4104 60.7029 33.6990 174.7016 50 F 4.6816 9.0529 127.0689 55.6351 41.8545 174.5447 51 F 5.5702 8.9564 122.3108 56.0826 41.3452 174.9114 52 L 5.1494 8.8993 121.4992 53.0521 45.8437 175.0184 53 D 5.2438 8.7910 121.3785 52.7117 43.7288 175.4647 54 I 4.8076 8.6897 122.9997 59.6970 40.8595 174.4438 55 T 4.9197 8.4885 123.4625 61.7154 71.3018 173.1956 56 F 4.5383 8.7572 125.7503 56.0825 40.2611 176.1553 57 S 4.4468 8.6789 116.9122 57.2171 63.0408 172.5045 58 P 4.3702 0.0000 0.0000 65.0410 30.9736 176.8065 59 D 4.9296 8.4412 119.8384 52.4339 39.9335 173.9010 60 Y 4.9742 8.0266 123.3616 55.0270 41.8822 173.6487 61 P 3.2680 0.0000 0.0000 62.4042 31.4357 176.8940 62 F 4.9271 7.4622 115.8348 58.4177 39.3881 175.6557 63 K 4.6573 7.4154 120.0454 53.3798 35.3569 174.5512 64 P 2.9700 0.0000 0.0000 60.9610 31.8702 174.3363 65 P 4.0986 0.0000 0.0000 62.5230 32.3703 175.4979 66 K 4.1313 8.5053 123.6646 55.6801 33.2576 175.5849 67 V 4.7838 8.2451 127.4833 61.2431 33.9332 174.5541 68 T 4.9844 8.6902 117.5235 59.6270 72.7608 173.2033 69 F 4.2565 9.4166 123.5240 57.8695 39.3193 176.3049 70 R 4.1551 9.1772 125.5615 59.1081 30.8369 177.0133 71 T 4.4208 8.0858 115.4611 62.5831 69.3713 175.1620 72 R 4.0755 8.7528 126.9994 56.5470 30.6765 175.4121 73 I 4.9966 8.2924 123.8976 59.5251 41.1627 173.7828 74 Y 4.2149 8.9156 127.7239 56.8251 38.6156 174.2065 75 H 4.6139 7.7088 125.3888 55.0391 32.9136 174.1566 76 C 4.1666 8.4258 120.9656 60.0983 29.9924 174.2791 77 N 4.9241 8.2088 116.8249 52.8188 38.9470 173.6348 78 I 4.8496 7.4824 119.4173 59.4201 40.2460 175.1277 79 N 4.8327 8.5009 124.1992 51.2482 39.5127 175.6564 80 S 4.2749 8.5506 111.5446 61.1394 63.1588 174.7180 81 Q 4.2242 8.3114 118.7807 55.5334 28.8810 176.4987 82 G 4.4069 8.2950 106.3820 46.2335 0.0000 173.7797 83 V 3.9467 7.7577 119.9883 62.6366 32.1382 174.4291 84 I 4.8015 8.1882 127.4107 59.8222 38.9953 174.9435 85 C 4.4352 9.1457 128.9254 58.2831 31.5934 172.3299 86 L 4.6896 8.1138 128.2317 52.3961 44.7803 176.0745 87 D 4.4387 9.2282 127.0914 56.8322 39.0037 178.6326 88 I 4.0220 7.7370 111.9151 62.5547 37.9497 176.9084 89 L 4.4067 7.8375 119.5010 53.8724 42.4613 176.0787 90 K 4.6992 8.0298 119.8306 55.9751 31.7201 179.4024 91 D 4.4462 9.2730 116.9667 56.7824 40.5143 176.0299 92 N 4.7793 8.2798 116.3355 52.7999 38.8400 174.5322 93 W 4.4748 8.1453 127.0282 57.3642 31.5416 175.2931 94 S 4.3600 6.8255 117.8730 55.4495 64.8885 172.8889 95 P 4.3440 0.0000 0.0000 63.8766 31.1434 177.3392 96 A 3.9455 7.5458 120.6122 53.5960 18.4362 177.6174 97 L 4.2391 7.0518 116.5858 54.0298 42.9680 176.0040 98 T 5.1883 7.8415 108.8881 59.5208 73.0577 174.4263 99 I 3.8138 9.1914 121.1844 64.2162 37.7609 178.1225 100 S 4.2204 8.2184 115.7425 61.6285 62.7621 176.5859 101 K 3.9994 8.0790 120.9380 59.3434 31.6975 179.4679 102 V 3.6791 7.9849 118.4443 66.2663 31.4902 178.2001 103 L 4.0411 8.3498 118.9593 57.5311 41.3537 179.2808 104 L 4.0028 8.3257 119.5046 57.9831 41.5496 179.5713 105 S 4.0928 8.2255 112.7653 61.4413 62.3455 176.1805 106 I 3.7131 8.1230 122.8258 64.6461 36.7281 178.0236 107 C 4.0803 8.5168 117.9143 63.0918 27.9090 176.2155 108 S 4.1186 8.3736 114.7202 61.3254 61.7057 175.9752 109 L 4.2078 7.8709 123.6895 57.6314 41.9024 178.7471 110 L 4.1404 7.7807 117.9881 57.5656 41.5211 179.2249 111 T 4.5064 7.4174 115.4356 64.8129 68.5967 174.6750 112 D 4.6221 8.4159 122.2459 52.3352 43.4523 175.0918 113 C 4.4566 8.5097 119.1417 58.1521 30.6751 173.8454 114 N 4.8206 8.9519 118.8342 50.6156 37.6590 173.7958 115 P 4.1571 0.0000 0.0000 64.6706 32.0581 178.5822 116 A 4.1410 7.8516 120.8191 54.1343 19.0045 177.0283 117 D 4.8377 7.6368 114.8405 51.9413 41.1162 173.2235 118 P 4.6171 0.0000 0.0000 61.6692 33.5369 176.3915 119 L 4.1582 8.8550 121.1691 56.1447 42.9692 176.9876 120 V 4.2320 7.1890 118.9659 60.6507 31.8200 175.7930 121 G 3.6389 8.3789 113.5257 47.6718 0.0000 173.0547 122 S 4.1209 8.0940 116.2864 61.4381 62.7158 176.6019 123 I 3.7645 7.5957 122.4679 63.7811 37.0176 178.0171 124 A 3.9471 7.8245 121.3452 55.2425 18.2019 179.7388 125 T 3.8050 8.1617 114.5501 66.9687 68.7239 176.6202 126 Q 4.0393 8.2026 121.3444 59.2214 28.8355 177.3382 127 Y 3.8886 8.2158 120.1663 61.1323 38.8121 177.9450 128 M 4.1994 7.9976 118.1294 57.8784 32.3825 178.0461 129 T 4.3678 8.2683 108.1731 62.2320 71.2791 175.0119 130 N 4.9518 8.3555 120.5065 51.3071 39.9037 174.6390 131 R 3.7369 7.8578 121.7053 59.3064 30.6211 177.2256 132 A 3.9106 7.8310 120.2531 55.0029 18.3810 179.0747 133 E 3.7850 8.0377 117.3688 59.4685 29.7377 177.9542 134 H 4.6746 8.1671 119.7128 59.0935 29.8004 176.9183 135 D 4.2472 8.3043 120.3672 57.1217 40.5238 178.7988 136 R 3.7950 7.9205 119.4711 59.5632 30.0498 178.5573 137 M 3.6799 7.9720 118.4805 58.1001 31.7949 178.6282 138 A 4.0087 7.7925 121.1767 55.0225 18.4015 179.9845 139 R 3.9684 8.1480 116.9752 59.4013 30.0796 179.0190 140 Q 3.9298 8.1817 119.4438 59.1469 29.0746 178.4377 141 W 3.7674 8.7875 120.3761 59.7093 28.8942 178.7300 142 T 4.1280 8.1826 115.8733 66.5398 67.7606 176.3691 143 K 3.8500 8.0068 120.1613 59.7821 32.3022 178.6758 144 R 3.9072 7.8784 116.9713 58.7573 29.9628 177.7610 145 Y 4.9126 7.7891 113.6957 57.7207 39.7264 176.4428 146 A 4.5423 8.0503 121.7304 51.4967 19.6194 176.2602 147 T 4.1325 7.7540 114.1963 63.0138 68.9978 173.7303 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 S 8.19 4.52 0.00 4.12 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 1 T 8.68 3.77 4.39 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 1.33 0.00 0.00 2 S 8.82 4.68 0.00 4.37 4.56 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 3 A 7.97 3.71 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 4 K 8.13 3.84 0.00 2.17 1.88 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 5 R 8.09 3.92 0.00 1.84 2.00 0.00 3.02 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 6 I 7.73 3.24 1.44 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.24 0.47 0.00 0.00 7 Q 8.07 3.94 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 8 K 8.11 3.94 0.00 1.96 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 E 8.57 4.12 0.00 2.08 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 2.41 2.60 0.00 10 L 8.48 4.13 0.00 1.99 1.88 0.26 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.10 3.98 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 12 E 8.19 3.84 0.00 2.20 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 0.00 2.36 2.36 0.00 13 I 8.04 3.83 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.28 1.16 0.00 0.00 14 T 7.84 3.96 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 1.17 0.00 0.00 15 L 7.75 4.21 0.00 1.73 1.89 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.93 4.87 0.00 2.67 2.57 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 17 P 0.00 4.62 0.00 2.34 2.14 0.00 3.47 0.00 0.00 4.62 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 P 0.00 4.48 0.00 2.24 2.05 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 19 P 0.00 4.28 0.00 2.07 2.02 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 20 N 9.17 4.36 0.00 3.00 3.09 0.00 0.00 6.47 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 21 C 7.76 5.46 0.00 2.99 2.95 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 0.00 0.00 0.00 22 S 9.10 4.93 0.00 3.90 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 23 A 8.00 4.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 25 P 0.00 4.70 0.00 1.76 1.92 0.00 3.17 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 26 K 9.19 4.13 0.00 1.85 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.34 7.81 27 G 7.22 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 0.00 0.00 0.00 28 D 8.88 4.29 0.00 2.70 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 29 N 7.62 4.61 0.00 2.86 2.83 0.00 0.00 6.65 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 30 I 8.36 3.97 1.87 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 1.36 0.87 0.59 0.00 0.00 31 Y 8.78 4.26 0.00 3.28 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 32 E 8.58 5.15 0.00 2.02 1.94 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 2.35 2.47 0.00 33 W 9.50 5.41 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.96 5.16 0.00 1.85 1.72 0.00 2.95 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 35 S 9.07 5.23 0.00 3.98 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.91 5.21 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 1.25 0.00 0.00 37 I 8.82 5.13 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.98 0.00 0.00 38 L 9.05 4.86 0.00 1.58 1.66 0.96 0.79 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 39 G 9.10 4.09 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 0.00 0.00 0.00 40 P 0.00 4.47 0.00 2.30 2.09 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 41 P 0.00 4.60 0.00 2.07 2.02 0.00 3.88 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 2.07 2.13 0.00 42 G 11.07 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.55 4.80 0.00 4.09 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 44 V 8.06 3.55 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 0.62 0.00 0.00 -0.07 0.00 0.00 45 Y 7.43 5.02 0.00 3.19 3.24 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 46 E 7.78 4.10 0.00 2.19 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 2.38 2.35 0.00 47 G 9.11 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 48 G 8.20 3.68 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 0.00 0.00 0.00 49 V 7.99 4.61 1.77 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 0.40 0.00 0.00 0.83 0.00 0.00 50 F 9.05 4.68 0.00 3.05 3.04 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 0.00 0.00 0.00 51 F 8.96 5.57 0.00 3.01 2.87 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 52 L 8.90 5.15 0.00 1.46 1.32 0.40 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.79 5.24 0.00 2.56 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 54 I 8.69 4.81 1.72 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 -0.07 0.00 0.00 55 T 8.49 4.92 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 1.32 0.00 0.00 56 F 8.76 4.54 0.00 2.79 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 57 S 8.68 4.45 0.00 3.85 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 58 P 0.00 4.37 0.00 2.07 2.00 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 59 D 8.44 4.93 0.00 2.84 2.81 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 60 Y 8.03 4.97 0.00 3.19 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 61 P 0.00 3.27 0.00 1.73 1.39 0.00 2.48 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.42 0.00 62 F 7.46 4.93 0.00 3.19 3.22 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 63 K 7.42 4.66 0.00 1.73 1.60 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 64 P 0.00 2.97 0.00 1.71 1.46 0.00 3.58 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 65 P 0.00 4.10 0.00 1.34 0.98 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 66 K 8.51 4.13 0.00 1.71 1.57 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.29 7.81 67 V 8.25 4.78 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 0.78 0.00 0.00 0.70 0.00 0.00 68 T 8.69 4.98 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 1.20 0.00 0.00 69 F 9.42 4.26 0.00 3.00 3.33 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 70 R 9.18 4.16 0.00 2.03 2.17 0.00 3.29 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 71 T 8.09 4.42 4.65 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 1.33 0.00 0.00 72 R 8.75 4.08 0.00 1.49 1.50 0.00 3.29 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.76 0.00 73 I 8.29 5.00 1.88 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.06 0.43 0.00 0.00 74 Y 8.92 4.21 0.00 2.26 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 75 H 7.71 4.61 0.00 2.95 2.81 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.43 4.17 0.00 3.13 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 77 N 8.21 4.92 0.00 2.78 2.93 0.00 0.00 6.90 7.32 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 78 I 7.48 4.85 1.48 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.20 0.59 0.00 0.00 79 N 8.50 4.83 0.00 2.95 2.96 0.00 0.00 6.30 6.92 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 80 S 8.55 4.27 0.00 4.03 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 81 Q 8.31 4.22 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 82 G 8.30 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 0.00 0.00 0.00 0.00 83 V 7.76 3.95 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 0.98 0.00 0.00 0.93 0.00 0.00 84 I 8.19 4.80 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.92 0.00 0.00 85 C 9.15 4.44 0.00 2.89 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 86 L 8.11 4.69 0.00 1.76 1.45 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.23 4.44 0.00 2.93 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 88 I 7.74 4.02 2.05 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 1.71 0.70 0.95 0.00 0.00 89 L 7.84 4.41 0.00 1.80 1.71 0.91 0.64 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 90 K 8.03 4.70 0.00 1.78 0.74 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.50 7.81 91 D 9.27 4.45 0.00 2.74 2.76 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 0.00 0.00 0.00 92 N 8.28 4.78 0.00 2.72 2.83 0.00 0.00 7.13 8.66 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 93 W 8.15 4.47 0.00 3.56 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 94 S 6.83 4.36 0.00 3.62 3.28 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 95 P 0.00 4.34 0.00 1.99 1.86 0.00 3.67 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 96 A 7.55 3.95 1.13 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 0.00 0.00 97 L 7.05 4.24 0.00 0.37 1.36 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.84 5.19 4.46 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 0.00 0.00 0.00 1.34 0.00 0.00 99 I 9.19 3.81 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 1.02 0.00 0.00 100 S 8.22 4.22 0.00 3.98 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 0.00 101 K 8.08 4.00 0.00 2.05 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 102 V 7.98 3.68 2.30 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 1.12 0.00 0.00 1.20 0.00 0.00 103 L 8.35 4.04 0.00 1.77 1.74 1.05 0.59 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 0.00 104 L 8.33 4.00 0.00 1.90 1.76 0.95 0.69 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 0.00 105 S 8.23 4.09 0.00 3.98 4.13 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 0.00 106 I 8.12 3.71 2.03 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 1.58 0.59 1.04 0.00 0.00 107 C 8.52 4.08 0.00 3.14 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 0.00 108 S 8.37 4.12 0.00 3.90 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 0.00 109 L 7.87 4.21 0.00 1.80 1.86 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.78 4.14 0.00 1.82 1.65 0.77 0.33 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 0.00 111 T 7.42 4.51 4.42 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 1.26 0.00 0.00 112 D 8.42 4.62 0.00 2.64 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 0.00 113 C 8.51 4.46 0.00 2.92 2.60 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 0.00 114 N 8.95 4.82 0.00 2.64 2.71 0.00 0.00 7.19 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 0.00 115 P 0.00 4.16 0.00 2.12 1.82 0.00 3.64 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 116 A 7.85 4.14 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 0.00 117 D 7.64 4.84 0.00 2.61 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 0.00 118 P 0.00 4.62 0.00 2.10 1.96 0.00 3.72 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 1.91 1.97 0.00 119 L 8.85 4.16 0.00 1.52 1.78 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.19 4.23 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 0.93 0.00 0.00 0.85 0.00 0.00 121 G 8.38 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 S 8.09 4.12 0.00 4.07 4.15 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 0.00 0.00 0.00 0.00 123 I 7.60 3.76 1.72 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.32 0.57 0.00 0.00 124 A 7.82 3.95 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 0.00 125 T 8.16 3.80 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 1.22 0.00 0.00 126 Q 8.20 4.04 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 127 Y 8.22 3.89 0.00 2.87 3.14 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 0.00 0.00 0.00 128 M 8.00 4.20 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.98 0.00 129 T 8.27 4.37 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 1.27 0.00 0.00 130 N 8.36 4.95 0.00 2.67 2.68 0.00 0.00 6.65 7.63 0.00 0.00 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 R 7.86 3.74 0.00 1.85 1.75 0.00 2.90 0.00 0.00 2.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 132 A 7.83 3.91 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 0.00 133 E 8.04 3.78 0.00 2.13 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 0.00 2.36 2.38 0.00 134 H 8.17 4.67 0.00 3.31 3.48 0.00 5.68 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 0.00 135 D 8.30 4.25 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.92 3.79 0.00 1.95 1.98 0.00 3.05 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 137 M 7.97 3.68 0.00 0.51 1.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.49 0.00 138 A 7.79 4.01 1.20 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 0.00 0.00 139 R 8.15 3.97 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 140 Q 8.18 3.93 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 141 W 8.79 3.77 0.00 3.48 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 0.00 142 T 8.18 4.13 4.56 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 1.40 0.00 0.00 143 K 8.01 3.85 0.00 1.72 1.99 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 144 R 7.88 3.91 0.00 0.67 1.32 0.00 2.55 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 145 Y 7.79 4.91 0.00 3.09 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 0.00 146 A 8.05 4.54 0.64 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 0.00 147 T 7.75 4.13 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 1.28 0.00 0.00