NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5277 8.3044 120.2867 55.2929 33.8974 173.9637 3 V 4.1943 8.0904 121.9771 59.9278 33.6493 172.8733 4 W 4.6485 9.1436 135.0000 57.4689 31.6182 174.8392 5 T 4.1868 8.0267 123.8745 61.4063 66.9455 172.7002 6 P 4.4744 0.0000 0.0000 63.5289 32.2229 175.7893 7 V 3.9983 7.3323 120.2660 62.6556 32.6898 175.4665 8 N 4.1845 8.6659 125.8709 54.9281 35.9042 173.3994 9 N 5.0425 7.4890 108.1396 52.8624 40.2743 174.1977 10 K 4.0510 8.2144 115.8883 56.5854 32.6965 176.5300 11 M 4.9804 8.3557 121.0472 53.9128 35.2292 175.2746 12 F 4.6283 8.3532 116.5497 57.3647 41.1596 176.4187 13 E 3.4776 8.3372 122.2326 57.1420 27.9103 175.3804 14 T 3.8345 8.3523 121.8439 66.4350 68.8925 174.3594 15 F 4.5466 8.9426 123.8618 57.7232 37.0659 176.6152 16 S 4.4421 8.0247 114.0421 60.5664 62.9469 174.5557 17 Y 4.3410 8.2810 117.1955 58.2896 38.1014 175.0577 18 L 4.6629 7.6867 120.5402 52.2627 43.5300 174.5197 19 P 4.4347 0.0000 0.0000 61.7301 31.7758 174.9902 20 P 4.2169 0.0000 0.0000 62.9682 31.7207 176.3622 21 L 3.9825 8.3648 122.9892 54.8139 42.1854 177.9120 22 T 4.2280 8.1899 113.9118 61.1687 71.1111 175.2471 23 D 4.3532 8.6113 121.4936 57.7893 40.9280 178.8781 24 E 3.9099 8.1120 119.1131 59.3006 29.6181 178.6815 25 Q 3.9786 7.8413 117.6415 58.4688 28.8461 178.4469 26 I 3.6845 8.0741 121.1368 64.3817 37.2172 178.2531 27 A 4.0572 8.2753 121.4984 55.1928 18.2942 179.5833 28 A 4.0211 7.9573 118.8802 55.2968 18.3927 179.9430 29 Q 4.1048 7.9955 116.4605 59.0888 28.8100 179.0067 30 V 3.7559 8.1146 119.3865 66.1585 31.5962 177.7807 31 D 4.4282 8.3350 118.7023 57.5988 40.2704 178.2074 32 Y 4.2465 8.0491 119.6407 60.5242 38.7634 178.0054 33 I 3.9764 8.0355 120.8975 64.4781 37.2766 178.5275 34 V 3.4954 7.9015 118.6116 66.0713 31.2051 177.8215 35 A 3.8745 8.1973 119.3182 54.6123 18.1964 178.3017 36 N 4.1387 6.9492 111.7137 51.9828 38.7325 175.6609 37 G 3.7940 7.4630 108.3202 46.0435 0.0000 174.1288 38 W 4.9374 7.5346 118.7489 56.1019 30.6419 176.4133 39 I 4.3362 9.0396 123.6343 59.6981 37.6451 173.9615 40 P 4.8705 0.0000 0.0000 62.8863 32.7468 175.2121 41 C 5.0264 9.0387 121.9168 58.3472 35.7380 172.3656 42 L 5.3215 8.7480 123.8360 53.1740 44.2763 175.2037 43 E 5.5905 9.1079 121.6320 54.8340 33.8799 174.7728 44 F 5.6150 9.3229 116.3209 55.8289 42.0467 173.0804 45 A 4.5354 8.4068 120.8552 50.0814 22.7358 176.1875 46 E 4.3321 8.6473 118.7988 55.6685 30.7861 177.6941 47 A 4.3357 8.8593 122.3966 55.8421 18.3412 179.8969 48 D 4.5262 8.1454 113.2260 56.4776 41.0770 177.2869 49 K 4.5828 7.7779 116.8557 56.0545 32.4774 177.0747 50 A 3.7749 7.7333 124.2896 54.3096 18.5657 178.3303 51 Y 4.6519 7.4365 111.5235 55.5428 40.0717 175.7039 52 V 3.7390 8.2983 122.3594 63.8330 31.9375 175.1662 53 S 4.7382 8.9528 119.7410 56.8365 66.2028 173.7778 54 N 5.0940 8.5969 114.6384 52.6746 39.2025 176.1084 55 E 3.9043 8.2960 120.6770 59.8398 29.3874 179.0752 56 S 4.1363 8.5398 114.9938 60.4352 62.9061 175.9086 57 A 2.5800 7.7622 123.5123 53.4481 17.7695 179.0345 58 I 3.5410 6.8423 115.3017 63.4839 38.0296 177.0446 59 R 4.3181 7.3551 116.3734 55.5221 30.5869 176.2310 60 F 5.0598 7.1819 118.1304 56.0104 41.2423 177.5458 61 G 4.0546 8.2443 117.0147 46.2957 0.0000 175.6218 62 S 4.6179 8.4490 114.1650 58.7803 62.3132 174.4944 63 V 4.4304 7.3304 107.3700 61.2030 33.0609 177.4566 64 S 4.4954 8.1689 114.1932 59.0222 63.5937 173.1996 65 C 4.0049 8.0482 119.2660 61.4756 27.8680 173.1099 66 L 3.6271 8.4385 123.5210 55.6394 38.9113 173.2848 67 Y 4.4153 7.7328 119.5661 55.9631 40.0240 174.6010 68 Y 4.9085 7.2172 123.2966 56.3946 42.3433 174.6915 69 D 4.5166 9.0172 123.8189 55.3169 41.7919 176.9172 70 N 4.4889 8.9263 116.9346 54.1643 35.8935 176.0655 71 R 3.9435 7.9915 118.6803 59.3554 30.3547 177.1118 72 Y 4.3585 7.7483 114.7879 57.8995 38.2889 175.2389 73 W 4.9942 8.6984 124.3150 55.3385 32.6995 174.7438 74 T 4.2523 8.1065 117.3613 62.5885 69.1878 174.7637 75 M 4.6330 8.5944 127.0607 55.4523 33.1477 175.1744 76 W 4.8161 9.6879 135.0000 56.0582 31.3469 176.8556 77 K 3.4035 8.4906 128.7460 57.6164 30.6831 177.8915 78 L 4.9301 8.2579 125.0775 52.6295 45.0336 174.0082 79 P 4.3232 0.0000 0.0000 63.4953 32.1380 177.7078 80 M 4.3166 8.5910 123.8606 53.6364 30.4046 175.3854 81 F 4.4245 7.5044 118.8811 58.7923 40.0192 176.0292 82 G 3.9552 9.1244 112.0565 46.0511 0.0000 172.8634 83 C 4.3310 7.9179 120.0919 59.3954 31.7389 173.5047 84 R 4.6210 8.5770 124.9602 55.6139 31.3047 174.4988 85 D 4.6925 7.8725 117.5229 51.1792 43.2955 174.1443 86 P 4.3412 0.0000 0.0000 65.9469 31.3243 178.5266 87 M 4.1154 8.2094 117.1933 58.2776 31.7371 178.5173 88 Q 3.9850 7.8713 119.5776 59.0554 29.2339 178.5708 89 V 3.5899 7.7325 118.6864 66.1146 31.8723 177.6910 90 L 4.0229 7.8662 118.6713 58.1138 41.4013 179.8963 91 R 3.9985 8.2476 117.8600 59.2234 29.9676 178.9830 92 E 4.0972 8.0870 118.1928 59.1677 29.4234 179.3614 93 I 3.5395 7.7966 120.1106 64.1850 37.1805 178.5457 94 V 3.4652 7.5943 118.3000 65.9496 31.4197 177.8414 95 A 3.9542 8.0415 120.5655 55.3286 18.2361 179.2255 96 C 2.0000 7.4630 117.2551 62.0234 30.9157 175.9241 97 T 3.7973 7.6295 111.2876 64.1775 68.0986 176.7193 98 K 3.8237 7.6775 121.8508 59.3933 32.3565 178.4443 99 A 4.0164 7.6889 119.7229 53.5451 19.6195 177.6081 100 F 4.6837 7.7355 115.9306 54.9219 39.0584 173.9139 101 P 4.4455 0.0000 0.0000 63.9673 31.8435 177.8431 102 D 4.7391 8.0828 117.0166 53.8747 41.4222 175.2166 103 A 4.8322 7.2804 121.0582 50.2926 21.3374 177.1678 104 Y 4.2022 8.5522 118.2334 57.9616 39.3089 175.3082 105 V 5.2191 8.9987 123.5665 61.1151 35.2772 174.3428 106 R 4.9949 9.2978 123.0392 54.3049 33.1946 173.5997 107 L 4.7550 8.1580 123.5989 54.0171 43.6649 175.7325 108 V 4.8376 8.7059 118.4790 59.4859 36.2993 174.2369 109 A 4.9185 8.0778 121.7688 50.4458 22.9116 175.1432 110 F 5.2583 9.1433 119.6913 55.7578 42.4591 174.0930 111 D 5.4295 8.7309 122.5296 52.7896 42.4510 176.6997 112 N 4.7368 9.1264 122.6801 54.3037 38.5011 176.5341 113 Q 4.1580 8.7863 118.7866 59.0538 28.8764 177.6816 114 K 4.0600 8.2616 114.5358 56.9333 32.8128 176.6413 115 Q 3.4227 7.8911 117.3751 55.5227 26.9096 172.4223 116 V 4.3839 7.8632 116.4152 59.9890 34.8616 173.5910 117 Q 4.3390 8.8735 123.6499 56.6993 29.1702 175.6145 118 I 4.1808 8.0539 125.2501 61.2305 39.6263 174.3052 119 M 4.5187 6.6030 117.4166 54.5740 34.3378 173.6250 120 G 4.8744 8.2779 107.1282 47.2577 0.0000 172.3381 121 F 5.1086 7.0957 115.7278 55.1582 41.1918 172.9321 122 L 4.5327 8.8324 123.0294 55.6214 42.0717 176.8047 123 V 4.5363 8.9200 118.0419 61.4398 33.9814 175.6430 124 Q 4.6281 7.7754 121.2121 54.6185 32.3101 173.0978 125 R 4.3312 8.1209 121.6230 53.1282 32.7900 173.6658 126 P 4.2032 0.0000 0.0000 62.3277 31.8546 177.8693 127 K 4.1748 8.4408 120.9860 59.2392 32.7669 177.8598 128 T 4.1194 7.7733 108.1861 62.3484 69.3380 174.6250 129 A 4.2904 7.8542 126.8984 52.7476 18.6878 177.4187 130 R 4.5638 8.8056 120.0607 55.9069 31.7808 175.4201 131 D 4.9383 8.3904 117.2311 52.7558 39.7409 175.5498 132 F 5.3513 7.7030 112.8118 55.6368 41.0593 173.6055 133 Q 4.5099 8.3911 120.1658 53.0341 31.2739 174.1755 134 P 4.4521 0.0000 0.0000 62.3212 31.9567 176.9778 135 A 3.9544 8.8868 123.9018 55.6712 18.1912 179.0794 136 N 4.6849 8.0587 109.1567 53.6950 37.8745 175.4786 137 K 4.4708 7.9945 117.9045 56.4100 32.8873 177.3724 138 R 3.6094 7.5261 120.2455 57.6776 30.1547 176.6398 139 S 5.0436 7.4783 110.4506 56.3075 66.0045 174.2643 140 V 3.9919 8.5560 114.7462 61.7524 32.1894 175.6071 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 M 8.30 4.53 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.09 4.19 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 1.02 0.00 0.00 0.97 0.00 0.00 4 W 9.14 4.65 0.00 3.49 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 5 T 8.03 4.19 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 1.03 0.00 0.00 6 P 0.00 4.47 0.00 2.23 2.19 0.00 3.78 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 1.97 1.96 0.00 7 V 7.33 4.00 2.03 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.67 4.18 0.00 2.78 2.87 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.49 5.04 0.00 2.49 2.68 0.00 0.00 7.31 6.68 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 10 K 8.21 4.05 0.00 2.01 1.59 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.28 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.31 1.40 7.81 11 M 8.36 4.98 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 12 F 8.35 4.63 0.00 3.10 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 13 E 8.34 3.48 0.00 2.13 1.72 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 2.19 2.13 0.00 14 T 8.35 3.83 4.19 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 0.14 0.00 0.00 15 F 8.94 4.55 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.02 4.44 0.00 4.15 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 17 Y 8.28 4.34 0.00 3.03 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 18 L 7.69 4.66 0.00 1.86 1.63 0.90 1.15 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 19 P 0.00 4.43 0.00 2.03 2.00 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 20 P 0.00 4.22 0.00 2.04 2.04 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 21 L 8.36 3.98 0.00 1.57 1.47 0.34 0.52 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 22 T 8.19 4.23 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 1.18 0.00 0.00 23 D 8.61 4.35 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 24 E 8.11 3.91 0.00 2.01 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 2.35 2.39 0.00 25 Q 7.84 3.98 0.00 2.25 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.07 3.68 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.01 1.08 0.00 0.00 27 A 8.28 4.06 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 28 A 7.96 4.02 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 29 Q 8.00 4.10 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.86 0.00 30 V 8.11 3.76 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 1.15 0.00 0.00 1.08 0.00 0.00 31 D 8.34 4.43 0.00 3.00 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 32 Y 8.05 4.25 0.00 3.24 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 33 I 8.04 3.98 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 1.11 0.00 0.00 34 V 7.90 3.50 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 1.07 0.00 0.00 0.96 0.00 0.00 35 A 8.20 3.87 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 36 N 6.95 4.14 0.00 1.44 1.42 0.00 0.00 7.02 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 37 G 7.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.53 4.94 0.00 3.36 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 39 I 9.04 4.34 2.12 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.72 0.00 0.00 40 P 0.00 4.87 0.00 2.09 1.99 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 41 C 9.04 5.03 0.00 3.08 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.75 5.32 0.00 1.86 1.64 0.84 0.82 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 43 E 9.11 5.59 0.00 2.06 2.07 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 2.36 2.31 0.00 44 F 9.32 5.61 0.00 3.03 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 45 A 8.41 4.54 -0.15 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 0.00 0.00 46 E 8.65 4.33 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.86 4.34 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.15 4.53 0.00 2.70 2.78 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 49 K 7.78 4.58 0.00 1.51 1.69 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.73 3.77 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.44 4.65 0.00 2.93 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 52 V 8.30 3.74 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 0.58 0.00 0.00 0.74 0.00 0.00 53 S 8.95 4.74 0.00 4.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.60 5.09 0.00 2.75 2.86 0.00 0.00 6.55 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 55 E 8.30 3.90 0.00 2.15 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 0.00 2.39 2.38 0.00 56 S 8.54 4.14 0.00 4.06 3.76 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 57 A 7.76 2.58 1.16 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 0.00 0.00 58 I 6.84 3.54 1.78 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 1.47 0.80 0.86 0.00 0.00 59 R 7.36 4.32 0.00 1.87 1.99 0.00 3.19 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 60 F 7.18 5.06 0.00 3.00 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 61 G 8.24 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 0.00 0.00 0.00 62 S 8.45 4.62 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.33 4.43 1.85 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 0.67 0.00 0.00 0.52 0.00 0.00 64 S 8.17 4.50 0.00 4.11 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 65 C 8.05 4.00 0.00 2.96 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 66 L 8.44 3.63 0.00 1.79 1.77 0.94 0.98 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 67 Y 7.73 4.42 0.00 2.91 3.02 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 68 Y 7.22 4.91 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.02 4.52 0.00 2.79 2.67 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 0.00 0.00 0.00 0.00 70 N 8.93 4.49 0.00 3.06 3.27 0.00 0.00 6.99 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 71 R 7.99 3.94 0.00 1.53 1.69 0.00 3.08 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 72 Y 7.75 4.36 0.00 3.06 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 73 W 8.70 4.99 0.00 3.07 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 74 T 8.11 4.25 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 0.91 0.00 0.00 75 M 8.59 4.63 0.00 2.07 2.04 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 2.70 2.78 0.00 76 W 9.69 4.82 0.00 3.68 3.30 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 77 K 8.49 3.40 0.00 1.71 0.84 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.90 0.22 7.81 78 L 8.26 4.93 0.00 1.61 1.59 1.01 1.03 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 79 P 0.00 4.32 0.00 0.65 1.78 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 80 M 8.59 4.32 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 81 F 7.50 4.42 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.92 4.33 0.00 3.01 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 84 R 8.58 4.62 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 85 D 7.87 4.69 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.34 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.21 4.12 0.00 2.08 2.25 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 2.63 2.71 0.00 88 Q 7.87 3.98 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.73 3.59 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 7.87 4.02 0.00 1.92 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.25 4.00 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 92 E 8.09 4.10 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 93 I 7.80 3.54 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.85 0.00 0.00 94 V 7.59 3.47 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 0.97 0.00 0.00 0.94 0.00 0.00 95 A 8.04 3.95 1.52 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 C 7.46 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.63 3.80 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 1.14 0.00 0.00 98 K 7.68 3.82 0.00 1.83 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.40 7.81 99 A 7.69 4.02 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 0.00 100 F 7.74 4.68 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 0.00 101 P 0.00 4.45 0.00 2.12 2.11 0.00 3.24 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.08 4.74 0.00 2.67 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 0.00 103 A 7.28 4.83 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 0.00 104 Y 8.55 4.20 0.00 2.57 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 0.00 105 V 9.00 5.22 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 0.96 0.00 0.00 0.88 0.00 0.00 106 R 9.30 4.99 0.00 1.87 1.94 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 107 L 8.16 4.75 0.00 1.50 0.73 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.71 4.84 1.63 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 0.51 0.00 0.00 0.57 0.00 0.00 109 A 8.08 4.92 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 0.00 110 F 9.14 5.26 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.73 5.43 0.00 2.43 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 0.00 0.00 0.00 0.00 112 N 9.13 4.74 0.00 2.94 3.05 0.00 0.00 6.28 7.39 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 0.00 113 Q 8.79 4.16 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.26 4.06 0.00 1.76 1.87 0.00 2.06 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 7.89 3.42 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.86 4.38 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 0.55 0.00 0.00 0.91 0.00 0.00 117 Q 8.87 4.34 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 118 I 8.05 4.18 1.24 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.59 -0.58 0.00 0.00 119 M 6.60 4.52 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 120 G 8.28 4.87 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 0.00 121 F 7.10 5.11 0.00 3.24 3.35 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 0.00 122 L 8.83 4.53 0.00 1.61 1.63 0.54 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.92 4.54 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 0.75 0.00 0.00 0.91 0.00 0.00 124 Q 7.78 4.63 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 125 R 8.12 4.33 0.00 1.24 1.53 0.00 2.21 0.00 0.00 2.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.30 0.00 126 P 0.00 4.20 0.00 2.06 1.97 0.00 2.33 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 127 K 8.44 4.17 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 128 T 7.77 4.12 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 1.21 0.00 0.00 129 A 7.85 4.29 1.57 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 0.00 130 R 8.81 4.56 0.00 1.79 1.88 0.00 3.17 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 131 D 8.39 4.94 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.70 5.35 0.00 3.21 3.15 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 0.00 133 Q 8.39 4.51 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 134 P 0.00 4.45 0.00 2.34 2.19 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 135 A 8.89 3.95 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 0.00 136 N 8.06 4.68 0.00 2.84 2.94 0.00 0.00 5.83 7.13 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 0.00 137 K 7.99 4.47 0.00 1.60 1.70 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.30 7.81 138 R 7.53 3.61 0.00 1.40 0.66 0.00 3.02 0.00 0.00 2.98 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.65 0.00 139 S 7.48 5.04 0.00 4.01 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 0.00 140 V 8.56 3.99 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 0.61 0.00 0.00 0.94 0.00 0.00