NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4576 8.1776 115.2892 57.8350 63.1814 174.0150 3 V 3.2904 8.3835 129.5719 64.8878 30.7252 176.6264 4 Y 3.9846 8.5981 118.3116 60.9734 38.0191 178.9709 5 D 4.4148 7.6719 117.4475 57.0607 41.2012 178.3465 6 A 4.0733 8.2782 121.4646 55.1466 18.4562 179.5759 7 A 3.8726 8.1634 119.0426 55.0643 18.1733 179.5338 8 A 4.0874 7.5604 117.8261 54.6457 18.5268 179.1092 9 Q 4.1959 7.8228 115.2264 56.7660 30.1294 177.1251 10 L 4.2556 7.3063 122.1414 53.4747 40.1974 176.6013 11 T 4.1652 7.5105 114.0975 60.5624 71.5348 175.0280 12 A 3.9491 8.4774 121.9923 55.6737 18.1879 179.4939 13 D 4.2884 7.9962 116.6493 57.3692 40.9672 179.0614 14 V 3.4738 7.2722 118.3647 66.0244 31.6093 178.2341 15 K 3.8688 8.1888 118.4344 59.1761 31.7252 179.2963 16 K 3.9696 8.0915 119.8990 59.7595 32.1943 178.7363 17 D 4.6160 8.1183 119.1183 57.1986 40.5917 178.8883 18 L 3.8037 7.9366 119.6701 57.7110 41.6114 179.6758 19 R 4.0543 8.0676 117.8746 59.4315 29.0454 178.6955 20 D 4.5082 8.5265 119.1897 57.6993 40.9297 179.3163 21 S 3.6571 8.2663 114.5648 60.8587 62.9485 176.2571 22 W 4.3350 8.7360 132.1400 59.9705 30.1900 177.7614 23 K 3.7873 7.9950 119.2458 59.2879 31.4093 178.6866 24 V 3.6673 7.1027 118.5958 65.9133 31.7745 178.1733 25 I 3.5507 7.3646 119.5372 64.1858 36.7736 178.7023 26 G 2.1146 6.7855 105.1538 46.3313 0.0000 175.3431 27 S 4.2065 7.0573 115.1285 59.6730 64.6366 173.9493 28 D 4.6971 7.4164 121.6696 51.2251 41.0384 175.6332 29 K 3.8215 7.9197 123.0543 58.7010 32.5967 178.4342 30 K 4.0236 7.9458 119.5700 59.3210 32.2532 179.0008 31 G 3.8694 7.9712 106.7360 47.6655 0.0000 175.4351 32 N 4.4840 8.2625 119.7655 55.0732 38.5125 178.0670 33 G 3.4781 7.9863 107.6829 47.8277 0.0000 176.1172 34 V 3.6008 7.6945 120.6570 65.3342 31.5566 177.9343 35 A 3.9041 7.9616 120.7764 54.8479 18.1957 179.3240 36 L 3.7254 7.8438 118.7396 58.5397 42.1711 179.1885 37 M 3.4670 7.7105 118.6206 58.4272 31.8164 178.9283 38 T 4.0040 7.9684 110.0746 65.1256 68.8161 176.6785 39 T 3.8064 7.7138 118.4489 66.0957 68.3404 176.3396 40 L 3.7967 7.5011 122.1905 58.3017 41.8710 179.2001 41 F 4.4495 7.4820 116.0581 60.3362 38.8326 177.3902 42 A 4.1763 8.1608 120.3265 55.2268 18.3708 178.9710 43 D 4.6724 8.3762 115.9628 55.1628 42.6379 176.8180 44 N 5.1196 8.2478 116.9285 50.8940 38.9144 174.8161 45 Q 4.2877 8.2015 121.0051 58.3323 29.4229 178.3601 46 E 4.1849 8.2016 114.3963 57.8960 30.2301 177.9556 47 T 4.5412 8.0357 110.5666 63.3205 69.5064 176.5862 48 I 3.9866 7.7544 123.5759 64.5600 36.8025 178.2078 49 G 3.5668 8.0054 105.3580 47.9656 0.0000 174.9326 50 Y 4.3356 7.6815 117.8091 59.8375 38.1357 176.3688 51 F 4.8535 8.1646 118.9327 56.7880 40.1497 178.0948 52 K 3.8721 8.3283 123.8906 59.6304 32.2501 178.4353 53 R 3.9736 8.0156 117.3502 59.2110 30.0743 177.1234 54 L 4.2036 7.7060 116.0026 55.3416 42.6662 179.0565 55 G 3.7995 7.6891 106.1866 46.4530 0.0000 176.3680 56 D 4.4849 8.3752 122.4658 53.4101 40.9581 176.9321 57 V 3.6859 7.9336 121.0448 63.2653 31.4962 177.7716 58 S 4.3102 7.8086 112.7299 60.3776 63.0809 175.6432 59 Q 4.1645 8.0806 121.7816 55.3858 28.9886 177.3244 60 G 3.8406 8.6305 109.2407 46.3419 0.0000 176.7022 61 M 3.9552 9.0148 122.9669 58.1510 31.8851 176.6011 62 A 4.0394 7.6957 119.4334 53.2642 18.8379 177.1588 63 N 4.6673 8.1342 115.5078 51.9945 39.4602 174.7720 64 D 4.3924 8.6341 128.9300 57.5642 41.0441 178.9332 65 K 3.9638 8.1199 118.1668 59.5417 32.1189 178.9841 66 L 4.0333 8.9809 120.8107 58.0648 42.0227 178.9847 67 R 4.0219 8.4569 119.2081 59.4013 30.1580 178.7661 68 G 3.6648 8.6902 105.9853 47.9336 0.0000 175.2309 69 H 4.2224 8.4875 120.5955 59.1924 30.0187 177.4942 70 S 4.0942 8.5858 117.3392 61.7009 62.4566 176.8114 71 I 3.7385 7.5975 121.0150 64.8015 37.1805 178.2465 72 T 4.1902 7.8478 116.0515 66.6079 68.2677 176.2875 73 L 3.8168 8.0046 122.1714 58.5375 42.0848 179.0580 74 M 4.2007 7.9287 117.7917 58.2799 31.8161 177.9613 75 Y 4.1397 7.9514 116.2352 59.8432 38.1480 177.7016 76 A 3.6593 7.6904 122.4819 54.8341 18.4097 179.6418 77 L 3.5532 7.3467 116.9890 57.5819 41.6719 179.3183 78 Q 3.5781 7.6666 119.6731 58.8259 28.7612 177.6955 79 N 4.2846 7.5837 117.0726 56.7930 39.3285 176.3216 80 F 4.6455 7.6719 118.9191 60.8707 39.1736 177.5910 81 I 3.5335 7.5555 119.0726 64.6981 36.7292 178.2716 82 D 4.5252 8.0063 117.4189 56.4300 40.9205 177.7005 83 Q 4.4700 7.8322 117.4276 55.7667 28.9053 177.1574 84 L 3.9645 7.6075 121.0890 58.0367 41.6982 178.3016 85 D 4.3430 8.1036 117.3570 56.1352 41.1730 175.8691 86 N 4.8373 8.0473 117.2996 50.5330 40.6798 172.7180 87 P 4.2305 0.0000 0.0000 65.8983 31.1831 178.0247 88 D 4.4725 8.2718 118.6787 57.2967 40.7873 178.2272 89 D 4.4139 8.2116 118.9336 56.7325 40.9883 178.4120 90 L 3.9567 8.1150 121.2223 58.0834 42.0724 179.1658 91 V 3.3712 7.7918 118.4114 66.1073 31.3009 177.8236 92 C 4.1474 7.8574 114.2607 61.2041 29.4313 176.2542 93 V 3.6693 7.7291 114.6193 63.9192 31.1814 178.5762 94 V 3.7210 8.0000 118.1690 66.2564 31.4599 178.0421 95 E 3.9068 8.3167 118.2408 58.9386 28.9505 179.3686 96 K 3.8306 7.4029 119.2437 59.6806 32.4055 178.7966 97 F 4.7027 8.1889 117.6670 60.2795 38.7887 177.6247 98 A 3.9947 8.3095 121.0705 55.1008 18.1280 179.7552 99 V 3.6256 7.7969 116.5870 66.2699 31.1441 178.0070 100 N 4.3979 8.0216 116.0695 56.2745 38.3427 176.6486 101 H 4.4892 8.0850 116.5860 57.7991 29.3727 177.4031 102 I 3.7318 8.2550 122.4966 64.6346 36.7290 178.5362 103 T 3.9201 7.7990 109.3655 64.2437 68.5673 175.7319 104 R 4.3065 6.9889 115.6530 55.0273 30.3289 176.1667 105 K 3.8167 7.8962 117.0924 57.5010 29.9627 175.6229 106 I 3.9656 7.6026 120.4111 60.0592 37.7657 177.1241 107 S 4.5231 8.3648 120.8568 57.2224 65.7277 174.8583 108 A 3.9856 8.4279 122.8342 55.1869 17.8172 179.6591 109 A 3.9944 7.9012 117.7882 55.5463 19.0422 179.3712 110 E 4.1403 8.1550 116.6611 59.2942 29.3930 179.3210 111 F 4.1861 8.5072 121.1471 60.8950 39.4538 177.2078 112 G 3.8269 8.1335 104.4906 46.7501 0.0000 175.2305 113 K 4.1931 7.8249 120.0932 58.2314 32.0068 178.2558 114 I 3.4766 7.4390 119.0269 62.9026 37.8969 177.1812 115 N 4.4750 8.3183 117.9087 56.4294 38.3381 177.1519 116 G 3.5744 7.6293 106.8370 47.4832 0.0000 173.7727 117 P 4.2108 0.0000 0.0000 65.0601 31.3251 178.7836 118 I 3.5266 7.6703 118.4718 64.2163 36.9148 178.3987 119 K 3.9729 8.0767 120.4586 59.3145 32.0044 179.1216 120 K 3.9460 7.9757 118.7567 59.4893 31.5590 179.5318 121 V 3.5594 7.9649 118.7841 65.8682 31.2867 178.0834 122 L 3.7977 8.0776 118.5986 57.7450 41.4273 179.2740 123 A 4.2703 8.6004 122.6193 54.6174 18.1429 179.6185 124 S 4.1868 8.1448 111.0040 60.2549 63.1578 175.6380 125 K 4.4010 7.2413 120.3248 55.5519 32.3481 175.5022 126 N 4.2818 8.2784 116.8447 54.4244 37.4858 173.4504 127 F 4.5638 8.5044 115.7490 55.0919 40.8287 176.4303 128 G 4.2076 8.7326 113.1056 43.6321 0.0000 172.8727 129 D 4.4762 8.8099 118.7312 57.6225 40.3526 178.9676 130 K 3.7297 8.2413 119.3062 60.1905 32.1113 178.1019 131 Y 4.2104 8.4154 116.3474 60.7340 37.8458 177.8982 132 A 4.2257 8.1447 121.5313 55.3029 18.6267 179.2943 133 N 4.3878 9.0013 115.2307 56.2523 38.1821 177.4985 134 A 3.9705 7.8369 122.0430 55.0544 18.5160 179.6902 135 W 3.9959 8.4121 116.5350 59.2307 29.1450 178.6908 136 A 4.1705 7.9565 120.8762 54.7869 17.5289 179.8309 137 K 3.9103 7.6082 116.1593 59.5147 32.5509 179.0169 138 L 3.9303 7.5238 120.1407 58.0919 42.0123 179.1377 139 V 3.7852 8.0994 118.0086 65.9554 31.4314 177.8207 140 A 4.2990 8.0541 122.0130 54.4383 17.9101 179.7578 141 V 3.3985 7.2362 115.8434 66.1167 31.8682 178.1838 142 V 3.4673 7.4675 117.4692 65.9440 31.1235 177.7735 143 Q 3.7821 8.0775 117.6019 58.8559 28.3138 178.7005 144 A 3.9969 7.8893 120.3401 53.9887 18.4240 178.3693 145 A 4.3800 7.4725 117.3122 51.9406 19.4236 177.0281 146 L 4.1330 7.4457 123.6107 54.9534 41.8753 176.4774 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 4.46 0.00 3.90 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 3 V 8.38 3.29 1.89 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 0.34 0.00 0.00 0.68 0.00 0.00 4 Y 8.60 3.98 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.67 4.41 0.00 2.84 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 6 A 8.28 4.07 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 7 A 8.16 3.87 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 8 A 7.56 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 7.82 4.20 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.27 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 10 L 7.31 4.26 0.00 1.69 1.54 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.51 4.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 12 A 8.48 3.95 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 4.29 0.00 2.67 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 14 V 7.27 3.47 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.19 3.87 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.67 7.81 16 K 8.09 3.97 0.00 2.04 1.96 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.78 7.81 17 D 8.12 4.62 0.00 2.85 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 18 L 7.94 3.80 0.00 1.66 1.23 0.53 -0.54 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 19 R 8.07 4.05 0.00 2.08 2.07 0.00 3.18 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 1.91 0.00 20 D 8.53 4.51 0.00 2.94 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 21 S 8.27 3.66 0.00 3.46 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 22 W 8.74 4.33 0.00 3.83 3.41 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 23 K 7.99 3.79 0.00 1.85 2.04 0.00 1.88 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 24 V 7.10 3.67 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 1.03 0.00 0.00 1.08 0.00 0.00 25 I 7.36 3.55 1.55 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 1.16 0.63 0.59 0.00 0.00 26 G 6.79 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.06 4.21 0.00 3.92 3.98 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 28 D 7.42 4.70 0.00 2.65 2.39 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 29 K 7.92 3.82 0.00 1.71 1.67 0.00 1.19 0.00 0.00 0.81 0.00 0.00 2.23 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.35 7.81 30 K 7.95 4.02 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 7.97 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 0.00 0.00 0.00 32 N 8.26 4.48 0.00 2.69 2.72 0.00 0.00 7.02 7.08 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 33 G 7.99 3.48 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 0.00 34 V 7.69 3.60 2.05 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 1.07 0.00 0.00 0.96 0.00 0.00 35 A 7.96 3.90 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 36 L 7.84 3.73 0.00 1.71 1.76 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.71 3.47 0.00 1.76 1.96 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 38 T 7.97 4.00 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 1.32 0.00 0.00 39 T 7.71 3.81 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 7.50 3.80 0.00 1.48 1.27 0.86 0.78 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 F 7.48 4.45 0.00 3.16 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 42 A 8.16 4.18 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 43 D 8.38 4.67 0.00 2.61 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 44 N 8.25 5.12 0.00 2.96 2.89 0.00 0.00 6.85 8.18 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 45 Q 8.20 4.29 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.96 0.00 0.00 0.00 0.00 0.00 2.61 2.39 0.00 46 E 8.20 4.18 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 2.36 2.30 0.00 47 T 8.04 4.54 4.71 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 1.47 0.00 0.00 48 I 7.75 3.99 2.00 0.00 0.00 0.83 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 1.26 0.76 0.00 0.00 49 G 8.01 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 50 Y 7.68 4.34 0.00 2.80 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 51 F 8.16 4.85 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.33 3.87 0.00 1.95 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.44 7.81 53 R 8.02 3.97 0.00 1.84 2.00 0.00 3.32 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 7.71 4.20 0.00 1.82 1.74 1.04 1.48 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 55 G 7.69 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 0.00 0.00 0.00 56 D 8.38 4.48 0.00 2.77 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 57 V 7.93 3.69 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 0.45 0.00 0.00 0.31 0.00 0.00 58 S 7.81 4.31 0.00 4.04 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 59 Q 8.08 4.16 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.84 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 60 G 8.63 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 M 9.01 3.96 0.00 1.96 2.12 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 2.58 2.61 0.00 62 A 7.70 4.04 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 63 N 8.13 4.67 0.00 2.78 2.91 0.00 0.00 7.06 7.84 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 64 D 8.63 4.39 0.00 2.74 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 8.12 3.96 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.53 7.81 66 L 8.98 4.03 0.00 1.74 1.86 1.07 1.04 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 8.46 4.02 0.00 2.03 2.06 0.00 3.16 0.00 0.00 3.34 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 8.69 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 8.49 4.22 0.00 3.41 3.64 0.00 5.79 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 8.59 4.09 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 71 I 7.60 3.74 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 1.56 0.68 1.14 0.00 0.00 72 T 7.85 4.19 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 1.29 0.00 0.00 73 L 8.00 3.82 0.00 1.66 1.80 0.87 0.77 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 7.93 4.20 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.85 0.00 75 Y 7.95 4.14 0.00 3.26 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 76 A 7.69 3.66 0.36 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 77 L 7.35 3.55 0.00 1.47 1.15 0.85 1.00 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 78 Q 7.67 3.58 0.00 2.49 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 79 N 7.58 4.28 0.00 2.96 2.90 0.00 0.00 7.27 7.07 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 80 F 7.67 4.65 0.00 3.09 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 81 I 7.56 3.53 1.70 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 1.17 0.27 0.87 0.00 0.00 82 D 8.01 4.53 0.00 2.84 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 83 Q 7.83 4.47 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 84 L 7.61 3.96 0.00 1.66 1.69 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.10 4.34 0.00 2.67 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 86 N 8.05 4.84 0.00 2.74 2.68 0.00 0.00 6.83 7.72 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 87 P 0.00 4.23 0.00 2.34 2.30 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 88 D 8.27 4.47 0.00 2.98 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 89 D 8.21 4.41 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.11 3.96 0.00 1.92 1.75 0.83 0.64 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 91 V 7.79 3.37 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 0.46 0.00 0.00 0.58 0.00 0.00 92 C 7.86 4.15 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.73 3.67 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 0.91 0.00 0.00 1.28 0.00 0.00 94 V 8.00 3.72 2.05 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 0.89 0.00 0.00 0.45 0.00 0.00 95 E 8.32 3.91 0.00 2.00 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 2.22 2.47 0.00 96 K 7.40 3.83 0.00 1.71 1.74 0.00 0.84 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.39 7.81 97 F 8.19 4.70 0.00 3.39 3.21 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 0.00 98 A 8.31 3.99 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 99 V 7.80 3.63 2.25 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 1.02 0.00 0.00 0.97 0.00 0.00 100 N 8.02 4.40 0.00 3.19 2.91 0.00 0.00 6.96 7.94 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 0.00 101 H 8.08 4.49 0.00 3.37 3.41 0.00 5.82 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 8.25 3.73 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 1.55 0.85 0.90 0.00 0.00 103 T 7.80 3.92 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 1.24 0.00 0.00 104 R 6.99 4.31 0.00 1.89 1.84 0.00 3.32 0.00 0.00 3.45 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 105 K 7.90 3.82 0.00 1.96 1.97 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.58 7.81 106 I 7.60 3.97 1.98 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.97 0.00 0.00 107 S 8.36 4.52 0.00 4.07 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 0.00 108 A 8.43 3.99 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 0.00 109 A 7.90 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 0.00 110 E 8.15 4.14 0.00 2.06 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 2.42 2.40 0.00 111 F 8.51 4.19 0.00 3.29 3.21 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 0.00 112 G 8.13 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.19 0.00 1.99 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.70 7.81 114 I 7.44 3.48 1.51 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.71 0.00 0.00 115 N 8.32 4.47 0.00 2.97 2.88 0.00 0.00 6.71 7.17 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 0.00 116 G 7.63 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 4.21 0.00 2.04 2.12 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 118 I 7.67 3.53 1.97 0.00 0.00 0.83 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 0.68 0.71 0.00 0.00 119 K 8.08 3.97 0.00 1.87 1.98 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 120 K 7.98 3.95 0.00 1.98 1.81 0.00 1.79 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 1.45 1.62 7.81 121 V 7.96 3.56 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 0.91 0.00 0.00 0.88 0.00 0.00 122 L 8.08 3.80 0.00 1.99 1.94 0.95 0.36 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 0.00 123 A 8.60 4.27 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 0.00 124 S 8.14 4.19 0.00 4.03 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 0.00 125 K 7.24 4.40 0.00 2.01 2.00 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.53 7.81 126 N 8.28 4.28 0.00 2.75 2.67 0.00 0.00 6.95 7.34 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 0.00 127 F 8.50 4.56 0.00 3.24 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 0.00 128 G 8.73 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 0.00 0.00 0.00 0.00 129 D 8.81 4.48 0.00 2.81 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 0.00 130 K 8.24 3.73 0.00 1.73 1.69 0.00 1.56 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.94 1.35 7.81 131 Y 8.42 4.21 0.00 3.43 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 0.00 132 A 8.14 4.23 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 9.00 4.39 0.00 2.88 2.89 0.00 0.00 6.88 7.86 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 0.00 134 A 7.84 3.97 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 0.00 135 W 8.41 4.00 0.00 3.64 3.34 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 0.00 136 A 7.96 4.17 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 0.00 137 K 7.61 3.91 0.00 1.92 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.54 7.81 138 L 7.52 3.93 0.00 1.45 1.68 0.61 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.10 3.79 2.35 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 1.21 0.00 0.00 1.17 0.00 0.00 140 A 8.05 4.30 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 0.00 141 V 7.24 3.40 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 0.59 0.00 0.00 0.82 0.00 0.00 142 V 7.47 3.47 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 0.24 0.00 0.00 0.77 0.00 0.00 143 Q 8.08 3.78 0.00 2.29 2.12 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 2.68 0.00 144 A 7.89 4.00 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 0.00 145 A 7.47 4.38 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 7.45 4.13 0.00 1.69 1.51 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00