NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4906 8.1776 115.4152 57.8302 64.5747 174.4481 3 V 3.3381 7.8792 120.6851 64.3329 30.8049 176.8110 4 Y 3.9918 8.2709 117.9190 60.8372 38.5514 178.4993 5 D 4.4920 8.0178 119.6441 57.2788 40.9866 178.5641 6 A 3.9437 8.0514 121.0705 55.1697 18.4051 179.5638 7 A 3.8688 8.0245 118.9518 55.0325 18.1812 179.4785 8 A 4.0895 7.5471 117.6131 54.5020 18.5550 178.9997 9 Q 4.2874 7.6843 115.1242 56.4014 29.9040 177.0399 10 L 4.2091 7.2619 121.0277 53.7849 40.3177 177.1107 11 T 4.2232 7.7242 114.7900 60.1836 71.7045 175.0094 12 A 3.9625 8.5042 122.2337 55.9252 18.1756 179.6019 13 D 4.3588 8.0012 116.2777 57.0171 41.0035 179.1078 14 V 3.5168 7.2533 119.5455 65.7621 31.4898 178.1853 15 K 3.8309 8.0158 118.2493 59.2443 31.8156 179.1333 16 K 3.9191 7.8537 119.3465 59.8169 32.2088 178.5825 17 D 4.5520 8.1801 119.0135 57.2670 40.6223 178.8574 18 L 3.8098 7.8561 119.5999 57.7364 41.5756 179.7764 19 R 4.0654 8.1707 118.0227 59.3945 29.3525 178.7617 20 D 4.5084 8.5021 119.1669 57.5784 40.8234 179.1742 21 S 3.1033 8.1826 114.5584 60.7195 62.9926 176.2675 22 W 4.3042 8.6722 132.0889 60.0454 30.2081 177.5872 23 K 3.5584 8.0882 119.0814 59.3092 31.7756 178.4477 24 V 3.7819 7.0862 114.7063 65.4947 31.2585 178.0324 25 I 3.6301 7.0174 119.0315 63.7144 36.9697 178.4876 26 G 2.2031 7.1346 107.2013 46.4855 0.0000 174.7977 27 S 4.0525 7.2891 116.2697 60.6160 63.2479 174.0155 28 D 4.7526 7.2186 119.1555 51.3755 40.8952 175.9041 29 K 3.8428 7.9805 123.2272 58.5911 32.4471 178.3758 30 K 4.0113 7.9675 119.5288 59.3761 32.3059 178.9084 31 G 3.8200 8.0518 106.6964 47.6351 0.0000 175.3274 32 N 4.4973 8.3455 119.6962 55.0325 38.4613 178.0925 33 G 3.5809 7.9898 107.6914 47.8667 0.0000 176.1359 34 V 3.6001 7.8116 121.1426 65.2942 31.4727 177.9342 35 A 3.9862 7.8560 122.0602 54.2832 18.2970 179.2936 36 L 3.7198 7.8953 118.7952 58.6354 42.2169 179.2252 37 M 3.5455 7.7763 118.7612 58.3723 31.7754 178.9220 38 T 3.9783 7.9882 110.1108 65.1434 68.7943 176.7661 39 T 3.9333 7.8021 118.6258 65.9967 68.3589 176.4785 40 L 3.7919 7.3912 122.0476 58.2884 41.6312 179.2288 41 F 4.6239 7.6995 117.1372 60.0713 38.4949 177.6349 42 A 4.1053 7.6817 120.1055 55.1645 18.5656 179.0406 43 D 4.5802 8.3184 116.5312 55.8582 42.5124 176.8002 44 N 5.1223 8.4170 116.7120 50.1564 38.8343 174.3622 45 Q 4.2657 8.5359 123.7089 58.3362 29.1559 177.4040 46 E 4.0892 8.2126 117.1600 58.8774 30.1550 178.3689 47 T 4.4658 8.3857 110.6885 63.8914 69.1069 176.5460 48 I 3.8307 7.8060 123.7807 64.4310 36.8031 178.0829 49 G 3.5980 8.1140 107.5439 48.8224 0.0000 174.2071 50 Y 4.2383 7.7284 115.9624 59.9492 38.1588 176.4459 51 F 4.8532 8.3000 118.9035 56.8976 39.6077 177.8750 52 K 3.8520 8.3629 123.4047 59.7993 31.9952 179.2664 53 R 3.9606 7.9857 117.4248 59.1276 30.1708 177.5156 54 L 4.1446 7.9948 117.2254 55.7471 42.5687 178.9594 55 G 3.8195 7.6111 105.8484 45.6717 0.0000 175.8415 56 D 4.4761 8.4136 119.2413 54.0478 40.2510 177.0804 57 V 3.7050 7.9589 126.9529 63.4417 31.5149 177.4168 58 S 4.3750 7.7373 113.7314 59.9982 63.3632 175.6301 59 Q 4.1184 8.0302 122.4323 56.6066 28.7995 177.1766 60 G 3.8495 8.3749 109.2878 46.2275 0.0000 176.3768 61 M 3.8825 9.0325 121.8801 58.4048 31.9313 177.1690 62 A 3.9997 7.6092 120.3645 53.9309 18.8320 177.2614 63 N 4.6157 8.3015 115.3330 52.6052 39.3174 174.9160 64 D 4.4049 8.7051 129.2036 57.5529 40.9678 179.0867 65 K 4.0204 8.1084 118.2596 59.3998 32.1057 179.0390 66 L 4.0296 8.3787 120.6495 58.0894 42.0135 178.9880 67 R 4.0049 8.5141 119.2673 59.3821 30.1733 178.7338 68 G 3.6579 8.5997 106.0240 48.0114 0.0000 175.1957 69 H 4.2450 8.5355 120.7659 59.1448 29.8210 177.4633 70 S 4.0793 8.4635 117.3384 61.7178 62.2685 176.8554 71 I 3.7753 7.8342 122.3168 64.8411 36.6737 178.6564 72 T 4.0408 7.6486 114.8460 66.5496 68.6387 176.1169 73 L 4.0161 8.0731 122.3900 58.3941 42.0981 178.9924 74 M 4.2075 7.9223 118.5857 58.4202 31.8585 178.0595 75 Y 4.0264 7.9034 115.7360 60.0140 38.0985 177.8100 76 A 3.7322 7.5410 123.4523 54.2054 18.2953 179.6419 77 L 3.5680 7.3869 117.0396 57.5963 41.7098 179.2095 78 Q 3.4677 7.8304 119.5352 58.9252 28.7549 177.7878 79 N 4.2789 7.6987 116.7803 56.8242 39.3516 176.2807 80 F 4.6334 7.6701 118.8801 60.9823 38.9268 177.6935 81 I 3.5224 7.6668 119.2644 64.5863 36.6251 178.2288 82 D 4.4418 8.0930 118.1991 56.4595 40.8151 177.6822 83 Q 4.4388 7.7550 117.1755 55.8537 28.8291 177.2484 84 L 3.9611 7.4445 121.5604 57.9327 41.6471 178.2295 85 D 4.3317 8.0881 117.6571 56.2161 41.1530 175.9064 86 N 4.8215 7.8884 118.1250 50.7049 40.4926 172.8076 87 P 4.2218 0.0000 0.0000 65.8890 31.1920 178.0305 88 D 4.3657 8.2985 118.8893 57.4965 40.8612 178.4031 89 D 4.4024 8.1909 118.9210 56.9572 40.8771 178.3635 90 L 3.9544 8.0954 121.1027 58.0812 42.0169 179.2242 91 V 3.4206 7.8882 118.4249 66.1528 31.3797 177.8531 92 C 4.1272 7.9199 113.6711 61.0245 29.4988 176.0538 93 V 3.5999 7.7212 120.6874 65.7189 31.1931 178.1267 94 V 3.7987 8.0353 118.1979 66.2593 31.2510 177.9580 95 E 4.0107 8.4414 118.2731 58.7470 28.9578 179.3626 96 K 3.9007 7.4452 119.4783 59.8402 32.2560 178.3865 97 Y 4.3823 7.9320 116.2581 60.7057 37.6453 178.2011 98 A 4.1994 8.0725 122.2695 54.8231 18.3497 179.3320 99 V 3.5264 7.5388 117.0434 66.8496 31.6054 178.2194 100 N 4.3608 8.1730 115.0865 56.4961 38.3696 177.0876 101 H 4.2652 7.8937 118.2258 58.5958 28.7214 177.8800 102 I 3.7106 8.1908 122.2208 64.7298 36.7352 178.5103 103 T 3.8896 7.9460 115.5322 66.3179 68.3155 175.8241 104 R 4.3067 7.5038 116.6283 55.0967 30.4644 176.3179 105 K 3.8308 7.9369 117.2589 57.4646 29.9546 175.7670 106 I 3.8962 7.7766 120.6349 60.3507 37.4907 177.2280 107 S 4.5524 8.3994 120.9397 57.0935 65.7481 174.9015 108 A 3.9669 8.4022 122.6233 55.3445 17.8633 179.6024 109 A 3.9999 7.9553 117.6653 55.1883 18.7680 179.0611 110 E 4.0912 8.0435 117.7334 59.4685 29.8460 178.8103 111 F 4.1193 8.7600 121.2786 61.1060 39.6021 177.0039 112 G 3.8829 8.5191 104.7055 46.7434 0.0000 175.4707 113 K 4.0972 7.9773 120.9311 59.1007 31.9964 178.6848 114 I 3.7742 7.6028 118.6018 63.3168 37.7539 177.4409 115 N 4.4926 8.1174 117.4637 56.2028 38.2636 177.3413 116 G 3.5682 7.7069 105.7540 47.4984 0.0000 173.9192 117 P 4.2183 0.0000 0.0000 65.0072 31.2916 178.8245 118 I 3.4988 7.6804 118.5670 64.1928 36.9596 178.2871 119 K 3.9176 8.1427 120.4760 59.4402 31.9519 179.0313 120 K 3.9327 8.0299 118.6989 59.5473 31.8357 179.6057 121 V 3.6424 7.5983 118.5826 65.0570 31.5518 177.5784 122 L 4.0408 8.0307 120.0389 58.2197 42.0702 178.8673 123 A 4.1578 8.2622 121.0503 55.0524 18.3736 179.2212 124 S 4.3614 8.2787 111.6488 59.9229 62.8660 175.5784 125 K 4.4445 7.7056 121.2189 55.8456 32.3916 175.2216 126 N 4.0386 7.9049 115.5616 54.8925 37.3665 174.1190 127 F 4.5674 8.1993 115.4260 55.1508 40.9515 175.9715 128 G 4.1161 8.6191 117.7393 44.8915 0.0000 172.2447 129 D 4.4560 9.0809 117.8592 57.7179 40.4247 178.6363 130 K 3.7900 8.2092 119.2545 60.0198 32.0769 178.1657 131 Y 4.1421 8.2336 116.4413 60.7465 37.9232 177.7880 132 A 4.2110 8.1660 121.3945 55.3999 18.6801 179.3095 133 N 4.4030 8.7971 115.2216 56.1330 38.4387 177.6217 134 A 3.9477 7.7468 122.2125 55.0578 18.4258 179.8046 135 W 3.8338 8.5092 117.2615 59.6410 29.0789 178.6437 136 A 4.0868 8.2148 120.9695 55.1163 17.5415 179.8662 137 K 3.9553 7.6819 116.0013 59.3003 32.4005 179.0923 138 L 3.9048 7.5339 120.9045 58.0964 42.0442 179.2058 139 V 3.7494 8.2199 118.2478 65.9238 31.4786 177.8243 140 A 4.5362 7.9689 121.8878 54.3744 17.8799 179.7879 141 V 3.4083 7.2566 116.4767 65.9941 31.8402 178.1420 142 V 3.4744 7.4348 117.6131 65.8526 31.4183 177.7769 143 Q 3.7990 8.0231 117.6080 58.9129 28.3154 178.7737 144 A 4.0168 7.7487 120.2367 54.1279 18.4716 178.4871 145 A 4.2551 7.5014 117.2485 52.4462 19.3749 177.2026 146 L 4.0860 7.3281 122.0269 54.7364 41.8106 176.6241 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 2 S 8.18 4.49 0.00 4.22 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 3 V 7.88 3.34 1.81 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 -0.11 0.00 0.00 0.71 0.00 0.00 4 Y 8.27 3.99 0.00 3.00 3.08 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 0.00 5 D 8.02 4.49 0.00 2.83 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 6 A 8.05 3.94 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 7 A 8.02 3.87 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 8 A 7.55 4.09 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 9 Q 7.68 4.29 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.21 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 10 L 7.26 4.21 0.00 1.69 1.53 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.72 4.22 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 1.18 0.00 0.00 12 A 8.50 3.96 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 13 D 8.00 4.36 0.00 2.74 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 14 V 7.25 3.52 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 0.90 0.00 0.00 0.87 0.00 0.00 15 K 8.02 3.83 0.00 1.98 1.79 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.57 7.81 16 K 7.85 3.92 0.00 2.00 1.97 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.72 7.81 17 D 8.18 4.55 0.00 2.84 2.59 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 18 L 7.86 3.81 0.00 1.69 1.25 0.54 -0.57 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 19 R 8.17 4.07 0.00 2.07 2.06 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 20 D 8.50 4.51 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 21 S 8.18 3.10 0.00 3.36 3.38 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 22 W 8.67 4.30 0.00 3.86 3.42 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 23 K 8.09 3.56 0.00 2.01 2.06 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 V 7.09 3.78 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 1.06 0.00 0.00 1.12 0.00 0.00 25 I 7.02 3.63 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.27 0.66 0.00 0.00 26 G 7.13 2.20 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 0.00 27 S 7.29 4.05 0.00 3.94 3.82 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 28 D 7.22 4.75 0.00 2.59 2.52 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 29 K 7.98 3.84 0.00 1.74 1.71 0.00 1.24 0.00 0.00 0.74 0.00 0.00 2.34 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.38 7.81 30 K 7.97 4.01 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.05 3.82 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 0.00 32 N 8.35 4.50 0.00 2.74 2.73 0.00 0.00 7.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.60 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 1.07 0.00 0.00 0.96 0.00 0.00 35 A 7.86 3.99 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 36 L 7.90 3.72 0.00 1.93 1.70 0.76 0.74 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 37 M 7.78 3.55 0.00 1.71 1.95 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 38 T 7.99 3.98 4.25 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 1.30 0.00 0.00 39 T 7.80 3.93 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 1.19 0.00 0.00 40 L 7.39 3.79 0.00 1.57 1.20 0.84 0.61 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 41 F 7.70 4.62 0.00 3.08 2.92 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 42 A 7.68 4.11 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 43 D 8.32 4.58 0.00 2.68 2.74 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 44 N 8.42 5.12 0.00 2.91 2.97 0.00 0.00 6.57 7.60 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 45 Q 8.54 4.27 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 46 E 8.21 4.09 0.00 2.19 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 2.38 2.38 0.00 47 T 8.39 4.47 4.72 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 1.42 0.00 0.00 48 I 7.81 3.83 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.77 0.69 0.00 0.00 49 G 8.11 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 50 Y 7.73 4.24 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.85 0.00 3.14 3.05 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 0.00 0.00 0.00 0.00 52 K 8.36 3.85 0.00 1.81 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.61 7.81 53 R 7.99 3.96 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 54 L 7.99 4.14 0.00 1.96 1.75 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.61 3.82 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 0.00 56 D 8.41 4.48 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.70 1.68 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 0.45 0.00 0.00 0.54 0.00 0.00 58 S 7.74 4.38 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.12 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.88 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 60 G 8.37 3.85 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 0.00 0.00 0.00 61 M 9.03 3.88 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.61 4.00 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 63 N 8.30 4.62 0.00 2.77 2.87 0.00 0.00 7.01 8.14 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 64 D 8.71 4.40 0.00 2.77 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 65 K 8.11 4.02 0.00 2.00 1.91 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.38 4.03 0.00 1.81 1.86 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.51 4.00 0.00 2.05 2.07 0.00 3.16 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.60 3.66 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 0.00 0.00 0.00 69 H 8.54 4.25 0.00 3.38 3.64 0.00 5.80 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 70 S 8.46 4.08 0.00 4.03 3.94 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 71 I 7.83 3.78 1.96 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 1.58 1.13 1.15 0.00 0.00 72 T 7.65 4.04 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 1.28 0.00 0.00 73 L 8.07 4.02 0.00 1.66 1.78 0.88 0.79 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 74 M 7.92 4.21 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.91 0.00 75 Y 7.90 4.03 0.00 3.27 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 76 A 7.54 3.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 3.57 0.00 1.70 0.92 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.83 3.47 0.00 2.42 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 79 N 7.70 4.28 0.00 2.95 2.89 0.00 0.00 7.29 6.60 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 80 F 7.67 4.63 0.00 3.07 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 81 I 7.67 3.52 1.60 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.24 0.85 0.00 0.00 82 D 8.09 4.44 0.00 2.83 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 83 Q 7.76 4.44 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 84 L 7.44 3.96 0.00 1.52 1.68 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.09 4.33 0.00 2.66 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 86 N 7.89 4.82 0.00 2.66 2.68 0.00 0.00 6.91 8.77 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 87 P 0.00 4.22 0.00 2.30 2.28 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 88 D 8.30 4.37 0.00 3.08 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 89 D 8.19 4.40 0.00 2.88 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 90 L 8.10 3.95 0.00 1.89 1.75 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.89 3.42 2.18 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 0.77 0.00 0.00 0.84 0.00 0.00 92 C 7.92 4.13 0.00 3.18 3.19 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 0.00 0.00 0.00 0.00 93 V 7.72 3.60 2.45 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 1.47 0.00 0.00 1.11 0.00 0.00 94 V 8.04 3.80 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 0.50 0.00 0.00 95 E 8.44 4.01 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 2.21 2.40 0.00 96 K 7.45 3.90 0.00 1.63 1.84 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.11 1.10 7.81 97 Y 7.93 4.38 0.00 3.36 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 98 A 8.07 4.20 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 99 V 7.54 3.53 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 1.10 0.00 0.00 0.99 0.00 0.00 100 N 8.17 4.36 0.00 2.81 2.84 0.00 0.00 7.01 8.16 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 0.00 101 H 7.89 4.27 0.00 3.53 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.19 3.71 2.07 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 1.50 0.78 0.91 0.00 0.00 103 T 7.95 3.89 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 1.21 0.00 0.00 104 R 7.50 4.31 0.00 1.83 1.88 0.00 3.16 0.00 0.00 3.09 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 105 K 7.94 3.83 0.00 2.00 1.97 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 106 I 7.78 3.90 1.98 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.93 0.00 0.00 107 S 8.40 4.55 0.00 4.07 4.05 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 0.00 0.00 0.00 0.00 108 A 8.40 3.97 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 0.00 109 A 7.96 4.00 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 0.00 110 E 8.04 4.09 0.00 2.13 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 2.28 2.46 0.00 111 F 8.76 4.12 0.00 3.21 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 0.00 112 G 8.52 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 0.00 113 K 7.98 4.10 0.00 1.82 1.89 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.67 7.81 114 I 7.60 3.77 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.76 0.00 0.00 115 N 8.12 4.49 0.00 2.97 2.89 0.00 0.00 6.71 6.99 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 0.00 116 G 7.71 3.57 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 0.00 0.00 0.00 117 P 0.00 4.22 0.00 2.14 2.14 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 118 I 7.68 3.50 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.65 0.00 0.00 119 K 8.14 3.92 0.00 1.92 2.05 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.03 3.93 0.00 1.97 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 121 V 7.60 3.64 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 0.80 0.00 0.00 0.87 0.00 0.00 122 L 8.03 4.04 0.00 2.11 1.77 0.58 0.88 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 0.00 123 A 8.26 4.16 1.41 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 0.00 124 S 8.28 4.36 0.00 4.05 4.10 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 0.00 0.00 0.00 125 K 7.71 4.44 0.00 2.13 1.97 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 126 N 7.90 4.04 0.00 2.70 2.54 0.00 0.00 6.89 7.03 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 0.00 127 F 8.20 4.57 0.00 3.11 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 0.00 128 G 8.62 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 0.00 129 D 9.08 4.46 0.00 2.82 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 0.00 130 K 8.21 3.79 0.00 1.76 1.72 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.06 1.36 7.81 131 Y 8.23 4.14 0.00 3.44 3.19 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 0.00 0.00 0.00 0.00 132 A 8.17 4.21 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 0.00 133 N 8.80 4.40 0.00 2.96 2.89 0.00 0.00 6.90 7.67 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 0.00 134 A 7.75 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 0.00 135 W 8.51 3.83 0.00 3.62 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 0.00 136 A 8.21 4.09 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 0.00 137 K 7.68 3.96 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 138 L 7.53 3.90 0.00 1.38 1.71 0.57 0.50 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 0.00 139 V 8.22 3.75 2.34 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 1.26 0.00 0.00 1.16 0.00 0.00 140 A 7.97 4.54 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 0.00 141 V 7.26 3.41 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 0.59 0.00 0.00 0.81 0.00 0.00 142 V 7.43 3.47 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 0.27 0.00 0.00 0.77 0.00 0.00 143 Q 8.02 3.80 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 144 A 7.75 4.02 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 0.00 145 A 7.50 4.26 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 0.00 146 L 7.33 4.09 0.00 1.74 1.52 0.72 0.19 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