NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4396 8.3349 115.4125 57.7993 63.5902 173.4345 2 K 4.0908 8.4710 125.1121 55.4698 32.7089 175.3790 3 T 4.3979 8.3277 114.4220 62.4272 70.4656 174.0637 4 N 4.4502 7.9704 120.6613 53.0326 39.5572 173.6935 5 P 4.3910 0.0000 0.0000 65.0080 31.6123 178.7182 6 R 4.1040 8.6325 117.4632 58.4129 29.7503 178.4168 7 L 4.0604 7.9827 119.6483 57.6016 41.6880 178.7437 8 S 4.1263 7.8667 113.3398 61.3071 62.2957 176.2595 9 S 4.0812 7.8126 117.4930 61.6261 62.6918 176.0649 10 L 3.8691 7.9133 122.9074 58.7502 41.6173 179.2957 11 I 3.8087 7.5392 118.0406 64.0740 36.9435 178.3866 12 A 3.9530 7.6165 121.0335 55.2491 18.3952 179.2530 13 D 4.2678 8.3799 117.8534 57.7278 40.7077 179.0807 14 L 3.9191 8.3306 119.5706 57.8717 41.4606 179.7508 15 K 4.0878 7.8362 118.1332 59.4171 32.1821 179.0838 16 S 4.0439 8.3784 113.2248 61.5280 62.0720 176.6302 17 A 3.9593 7.9944 122.8252 55.1838 18.1232 179.5650 18 A 4.8067 7.6087 118.8451 54.5982 18.4563 179.4330 19 R 4.1988 8.1228 115.8670 58.2002 30.5106 178.6584 20 S 4.4520 7.8433 113.9498 62.0741 63.9193 174.6651 21 S 4.6655 8.3839 116.7127 57.7307 64.8070 174.9324 22 G 3.9941 8.6678 114.1115 46.2952 0.0000 173.8575 23 G 3.7511 8.0387 109.6764 44.2860 0.0000 174.6630 24 A 4.5763 8.1704 124.8196 52.3101 21.5722 178.9469 25 V 3.3356 7.4557 109.2786 64.2393 31.6219 178.2220 26 W 5.1180 7.6283 118.3195 60.1790 28.7813 178.6977 27 G 3.9247 8.2490 102.8093 46.9188 0.0000 174.5944 28 D 4.5184 7.4786 120.2263 57.1360 41.1280 178.4592 29 V 3.5985 8.8493 119.4766 65.9297 31.3908 177.8177 30 A 4.1236 8.6385 121.1681 54.8478 17.8555 179.5294 31 E 3.9126 8.3174 117.4333 59.6278 29.4720 179.2865 32 R 4.0752 7.9165 115.5667 58.1277 30.2686 177.4185 33 L 4.1621 7.1984 116.6313 57.6391 42.2415 178.4048 34 E 4.1712 8.2235 117.2578 57.8869 29.5346 177.4529 35 K 4.3270 7.1982 117.8720 54.8554 33.0986 174.8357 36 P 4.4006 0.0000 0.0000 62.5779 31.7481 178.2631 37 R 3.5085 8.4293 119.6893 58.8266 30.1897 179.3896 38 R 3.9948 7.8575 113.7367 58.6105 29.7275 177.5700 39 T 4.1929 7.8177 107.7566 62.9371 69.4453 174.8555 40 H 4.3184 7.4993 119.1353 55.7542 29.4235 174.3380 41 A 4.3002 8.2211 123.6178 51.7258 19.7181 176.5588 42 E 4.6665 8.8715 122.2224 54.5022 31.3982 174.8316 43 V 4.3694 8.6433 124.8427 60.9541 34.1904 174.1127 44 N 5.8140 8.4414 124.3520 51.1383 40.6248 175.8747 45 L 4.0734 8.8499 122.1049 58.3160 41.5049 180.0474 46 G 3.7247 8.2959 105.4269 47.7342 0.0000 175.3341 47 R 3.7101 8.2153 120.7870 58.6614 30.2620 178.4710 48 I 3.7192 7.4690 119.1686 64.6023 36.9907 177.2055 49 E 3.8875 8.1815 118.8192 59.7456 29.4542 178.4665 50 R 4.0778 7.5207 118.5320 59.0175 30.1598 176.6903 51 Y 4.7972 7.6568 113.6858 58.0713 40.3541 176.0794 52 A 4.4239 8.5664 122.4389 51.5153 19.1045 176.5033 53 Q 4.7137 8.0913 117.1125 53.7689 31.4189 175.3702 54 E 3.9259 8.6157 119.5320 58.0558 30.0261 176.7482 55 D 4.5210 8.8790 119.7432 54.7118 38.4330 173.0601 56 E 4.8190 7.7577 119.2980 54.5137 32.1432 175.6715 57 T 4.3399 8.9250 124.1031 63.6525 70.1559 173.5228 58 V 4.6300 8.9374 125.8363 61.3150 33.8338 174.3575 59 V 4.9730 9.0651 128.7608 61.2364 33.5975 174.2955 60 V 4.8760 9.1859 128.9724 58.9046 33.1376 175.0318 61 P 4.7151 0.0000 0.0000 61.4862 31.5987 175.4476 62 G 4.1661 6.3936 116.6848 47.0471 0.0000 173.8466 63 K 4.8263 9.3353 127.1524 54.1255 35.6352 173.9582 64 V 4.6881 8.5702 125.7499 61.2871 33.5662 174.8219 65 L 4.8000 9.4572 129.4078 52.9730 44.2120 176.4656 66 G 4.2350 8.3370 105.9954 46.7708 0.0000 173.6047 67 S 4.6371 8.4483 115.2516 57.8244 64.4973 174.8044 68 G 4.2861 8.9974 112.3405 45.1789 0.0000 172.1056 69 V 4.3555 7.8392 117.2519 60.6166 33.5177 174.3012 70 L 4.8521 8.3990 127.0686 53.4847 44.0933 175.4794 71 Q 4.5074 8.6861 123.1998 56.9691 30.9378 176.9239 72 K 3.9323 8.6060 116.6309 56.6973 32.4557 176.5789 73 D 5.5668 8.3594 122.6831 53.0864 41.0358 175.1481 74 V 4.6317 8.1378 118.0910 59.5562 36.8593 174.4031 75 T 5.1843 8.3189 116.8334 61.2919 71.1528 173.5239 76 V 4.7574 8.4796 126.9935 61.3896 33.7010 174.1377 77 A 5.9400 10.0188 130.4326 49.6425 21.8464 175.0336 78 A 4.8952 8.3409 122.2170 50.7713 22.6870 176.9186 79 V 3.6200 8.4390 118.8136 66.2513 32.0436 175.7534 80 D 4.6916 7.2357 116.6111 53.4215 44.4243 174.2852 81 F 5.4629 8.8234 120.9492 55.3558 42.6040 175.2754 82 S 4.3125 9.0641 117.2054 58.0339 64.1247 175.4003 83 G 3.7527 8.9948 108.1801 48.5067 0.0000 176.1708 84 T 3.8669 7.8831 116.9675 66.5477 68.6359 175.9884 85 A 3.9904 8.1764 122.6318 55.3501 18.3850 178.8359 86 E 3.6301 8.4987 116.8807 60.0936 29.4519 179.2831 87 T 3.8041 7.5213 113.2981 66.5636 68.7113 176.0176 88 K 4.0026 8.5316 120.3956 59.8683 32.2328 179.2063 89 I 3.7161 8.1695 119.8632 64.6667 36.9541 178.2030 90 D 4.7325 7.7570 118.5958 56.1127 40.6227 178.3679 91 Q 4.2582 7.7069 118.5295 57.7029 28.9949 177.0049 92 V 4.5751 7.9587 111.6658 59.8668 33.7380 175.3472 93 G 4.3407 7.2919 112.5359 45.7156 0.0000 174.8475 94 E 4.9072 8.7635 126.5811 55.0623 33.2652 172.9952 95 A 4.7581 9.2641 130.3912 50.6428 20.0380 176.3669 96 V 4.5223 8.5646 122.9673 60.6295 35.1939 175.3881 97 S 4.6996 8.6150 121.1697 58.0279 63.7648 175.1189 98 L 4.0486 8.5439 124.3408 58.0605 41.7635 179.3403 99 E 3.9022 7.7811 117.5157 59.1215 29.3052 179.1299 100 Q 3.9687 8.0141 118.0628 58.7670 28.9346 177.9932 101 A 4.0182 7.9786 121.2484 55.5669 18.0992 179.4265 102 I 2.7639 6.6980 116.0652 64.3904 37.1934 178.0256 103 E 3.9993 7.2822 117.0564 59.1743 29.4966 178.0795 104 N 4.6608 8.3856 115.6918 54.5393 40.3926 175.3584 105 N 5.1674 8.5360 119.3007 51.7468 39.5419 173.0990 106 P 4.7449 0.0000 0.0000 65.2127 31.9311 178.0321 107 E 4.1910 8.5738 117.8641 56.5604 30.3784 175.8814 108 G 3.7819 8.4773 107.9714 46.4617 0.0000 172.3333 109 S 4.6168 8.4225 111.5243 57.0817 66.4911 173.9234 110 H 4.0330 8.3175 115.0907 57.0082 26.1974 174.9244 111 V 4.8806 7.4086 116.1063 60.0267 34.1430 175.9346 112 R 4.4429 9.4783 125.9946 55.1461 32.4896 174.8270 113 V 4.8897 8.2032 121.6954 61.1864 33.4780 174.4923 114 I 4.8036 8.6528 128.9489 59.4658 40.3867 176.3226 115 R 4.1580 8.3759 121.3866 56.6401 29.1452 174.7143 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 8.33 4.44 0.00 3.99 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 2 K 8.47 4.09 0.00 1.86 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.33 4.40 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 1.21 0.00 0.00 4 N 7.97 4.45 0.00 2.76 2.68 0.00 0.00 7.26 7.71 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 5 P 0.00 4.39 0.00 2.20 2.07 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 R 8.63 4.10 0.00 1.89 1.96 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 7 L 7.98 4.06 0.00 1.76 1.66 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.87 4.13 0.00 4.00 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 9 S 7.81 4.08 0.00 4.01 3.87 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 10 L 7.91 3.87 0.00 1.73 1.79 0.83 1.01 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 11 I 7.54 3.81 2.05 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 1.46 1.26 0.92 0.00 0.00 12 A 7.62 3.95 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 13 D 8.38 4.27 0.00 2.73 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 14 L 8.33 3.92 0.00 1.82 1.79 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.84 4.09 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.71 7.81 16 S 8.38 4.04 0.00 3.88 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 17 A 7.99 3.96 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 18 A 7.61 4.81 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.12 4.20 0.00 1.81 2.01 0.00 3.17 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 20 S 7.84 4.45 0.00 4.00 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 21 S 8.38 4.67 0.00 4.14 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 22 G 8.67 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 0.00 0.00 0.00 23 G 8.04 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 0.00 0.00 0.00 24 A 8.17 4.58 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 25 V 7.46 3.34 1.60 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 0.60 0.00 0.00 -0.34 0.00 0.00 26 W 7.63 5.12 0.00 3.39 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 27 G 8.25 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 0.00 0.00 0.00 28 D 7.48 4.52 0.00 2.89 2.85 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 0.00 0.00 0.00 0.00 29 V 8.85 3.60 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 1.04 0.00 0.00 1.07 0.00 0.00 30 A 8.64 4.12 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 31 E 8.32 3.91 0.00 2.25 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 2.35 2.61 0.00 32 R 7.92 4.08 0.00 1.79 1.95 0.00 3.50 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 33 L 7.20 4.16 0.00 1.91 1.69 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.22 4.17 0.00 2.12 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 2.36 2.57 0.00 35 K 7.20 4.33 0.00 1.95 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.40 0.00 2.15 1.94 0.00 3.60 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 2.10 2.10 0.00 37 R 8.43 3.51 0.00 1.80 1.91 0.00 3.10 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 38 R 7.86 3.99 0.00 1.90 2.04 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.82 4.19 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 1.22 0.00 0.00 40 H 7.50 4.32 0.00 3.27 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.22 4.30 1.22 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 0.00 0.00 42 E 8.87 4.67 0.00 1.81 1.88 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 2.18 2.26 0.00 43 V 8.64 4.37 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 0.96 0.00 0.00 0.91 0.00 0.00 44 N 8.44 5.81 0.00 2.65 2.93 0.00 0.00 7.60 6.74 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 45 L 8.85 4.07 0.00 1.81 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.30 3.72 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 0.00 0.00 0.00 47 R 8.22 3.71 0.00 1.72 1.96 0.00 3.05 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.00 48 I 7.47 3.72 2.00 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 1.55 0.56 0.96 0.00 0.00 49 E 8.18 3.89 0.00 2.00 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 2.33 2.39 0.00 50 R 7.52 4.08 0.00 1.86 1.70 0.00 3.08 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 51 Y 7.66 4.80 0.00 2.95 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 52 A 8.57 4.42 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 53 Q 8.09 4.71 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 54 E 8.62 3.93 0.00 1.99 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 2.45 2.35 0.00 55 D 8.88 4.52 0.00 2.84 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 56 E 7.76 4.82 0.00 1.96 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 2.22 2.36 0.00 57 T 8.93 4.34 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 1.36 0.00 0.00 58 V 8.94 4.63 2.16 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 0.98 0.00 0.00 0.98 0.00 0.00 59 V 9.07 4.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.17 0.00 0.00 60 V 9.19 4.88 1.98 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 1.07 0.00 0.00 0.92 0.00 0.00 61 P 0.00 4.72 0.00 2.23 2.23 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 62 G 6.39 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 0.00 0.00 0.00 63 K 9.34 4.83 0.00 1.69 1.57 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.33 7.81 64 V 8.57 4.69 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 1.07 0.00 0.00 0.72 0.00 0.00 65 L 9.46 4.80 0.00 1.80 1.56 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.34 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 0.00 0.00 0.00 0.00 67 S 8.45 4.64 0.00 3.94 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 68 G 9.00 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 0.00 0.00 0.00 0.00 69 V 7.84 4.36 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.40 4.85 0.00 1.59 1.51 1.01 0.71 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 71 Q 8.69 4.51 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 72 K 8.61 3.93 0.00 1.74 1.77 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.80 7.81 73 D 8.36 5.57 0.00 2.67 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 74 V 8.14 4.63 2.12 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 0.86 0.00 0.00 0.97 0.00 0.00 75 T 8.32 5.18 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 1.27 0.00 0.00 76 V 8.48 4.76 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 1.20 0.00 0.00 1.03 0.00 0.00 77 A 10.02 5.94 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 78 A 8.34 4.90 0.62 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 0.00 0.00 79 V 8.44 3.62 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 0.71 0.00 0.00 0.87 0.00 0.00 80 D 7.24 4.69 0.00 2.79 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 0.00 0.00 0.00 81 F 8.82 5.46 0.00 2.85 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 82 S 9.06 4.31 0.00 3.93 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 83 G 8.99 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 0.00 0.00 0.00 84 T 7.88 3.87 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 1.22 0.00 0.00 85 A 8.18 3.99 1.54 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 0.00 0.00 86 E 8.50 3.63 0.00 2.16 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 2.18 2.05 0.00 87 T 7.52 3.80 4.48 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 1.21 0.00 0.00 88 K 8.53 4.00 0.00 2.02 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 89 I 8.17 3.72 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 0.89 0.00 0.00 90 D 7.76 4.73 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.26 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.27 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 92 V 7.96 4.58 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 0.71 0.00 0.00 1.03 0.00 0.00 93 G 7.29 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 0.00 0.00 0.00 0.00 94 E 8.76 4.91 0.00 2.04 1.75 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 2.17 2.21 0.00 95 A 9.26 4.76 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.56 4.52 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 1.07 0.00 0.00 0.93 0.00 0.00 97 S 8.62 4.70 0.00 4.10 4.03 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 98 L 8.54 4.05 0.00 1.92 1.67 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.78 3.90 0.00 2.12 1.91 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 2.29 2.32 0.00 100 Q 8.01 3.97 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.98 4.02 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 0.00 102 I 6.70 2.76 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.50 0.00 0.00 103 E 7.28 4.00 0.00 1.94 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 0.00 2.30 2.32 0.00 104 N 8.39 4.66 0.00 2.86 2.90 0.00 0.00 6.73 7.89 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 0.00 105 N 8.54 5.17 0.00 2.77 3.08 0.00 0.00 6.77 7.53 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 0.00 106 P 0.00 4.74 0.00 2.30 2.21 0.00 3.90 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 2.06 2.03 0.00 107 E 8.57 4.19 0.00 2.28 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 2.42 2.40 0.00 108 G 8.48 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 0.00 109 S 8.42 4.62 0.00 3.87 3.80 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 0.00 110 H 8.32 4.03 0.00 3.31 3.35 0.00 5.56 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 0.00 111 V 7.41 4.88 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 0.38 0.00 0.00 0.88 0.00 0.00 112 R 9.48 4.44 0.00 2.14 1.84 0.00 3.07 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 113 V 8.20 4.89 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 0.92 0.00 0.00 0.87 0.00 0.00 114 I 8.65 4.80 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.95 0.00 0.00 115 R 8.38 4.16 0.00 1.86 1.83 0.00 3.08 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00