NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3793 8.1776 115.2786 57.8385 63.4514 174.4276 2 I 3.2482 8.1010 122.1924 63.3710 37.5393 176.6996 3 Q 4.1258 8.1171 120.4309 57.9893 29.6613 178.0640 4 A 4.1310 7.4569 119.7515 53.4628 19.1231 177.5577 5 E 3.6812 7.7854 117.7822 55.4433 29.7279 178.0345 6 E 3.8775 8.4015 122.1408 58.6922 29.8893 177.7102 7 W 4.5187 7.2977 114.6642 56.8279 28.8089 174.8916 8 Y 5.1885 7.6881 121.6227 56.9652 37.2929 174.6507 9 F 4.4952 9.3750 126.1693 56.7088 40.5098 178.1228 10 G 3.3235 5.5895 111.4458 46.8451 0.0000 176.5542 11 K 4.1707 8.5638 120.1435 54.3720 30.3052 175.0231 12 I 4.5876 7.2862 114.4517 58.4423 40.8967 176.9333 13 T 4.3150 8.0385 112.3237 60.9544 71.2244 175.7902 14 R 3.8395 9.2505 121.6454 59.5117 29.9410 178.5433 15 R 3.8836 7.9198 118.0841 59.3125 30.0516 177.9312 16 E 3.9349 8.3322 119.3418 59.2897 29.6091 178.7193 17 S 4.1334 8.2116 114.3515 61.8389 62.8016 176.4729 18 E 3.9577 8.4252 122.1381 58.8107 28.9449 179.2333 19 R 3.8866 7.9773 118.2065 59.5584 30.2788 178.3049 20 L 4.1751 7.9864 117.5906 57.8212 41.6994 179.1986 21 L 4.2288 8.0938 118.0494 56.6980 42.1780 177.7567 22 L 4.4744 8.0107 119.4732 53.8105 42.0638 176.3615 23 N 4.8046 7.5730 117.2489 51.5121 40.5432 174.9941 24 A 4.0463 8.7493 128.7407 55.0189 18.5298 177.8896 25 E 4.1516 8.5552 114.0321 57.5957 29.9412 176.5726 26 N 4.5077 8.1561 118.4271 51.8985 38.8356 173.5398 27 P 4.5526 0.0000 0.0000 61.4450 32.7917 175.5777 28 R 3.9942 8.1160 117.5477 57.9137 30.3045 177.6314 29 G 4.1299 9.2153 110.1404 46.3295 0.0000 173.3845 30 T 4.7161 7.6307 117.6962 63.9340 69.6441 173.4699 31 F 5.7882 8.9699 119.6586 56.3301 42.2076 172.5688 32 L 4.5468 8.2557 117.1990 54.6403 43.6052 174.0224 33 V 5.1559 9.0356 120.6169 61.3327 34.4935 174.6350 34 R 5.0157 9.1584 123.0793 54.4532 33.6342 173.8421 35 E 4.6985 9.1010 119.1812 56.0736 30.1748 177.4640 36 S 4.3835 8.1938 117.6216 58.0969 63.1544 174.4595 37 E 4.1803 8.7539 126.1614 58.6958 29.7685 177.9043 38 T 4.1840 7.8835 107.3529 62.5865 70.3747 174.5826 39 T 4.3607 7.9745 120.6428 60.8514 69.0898 173.9067 40 K 4.0230 8.4653 128.4046 57.5776 32.6654 177.1500 41 G 3.7469 8.7946 112.4067 45.5744 0.0000 172.6689 42 A 4.8215 7.4778 120.8064 50.1550 22.5978 175.0713 43 Y 5.1441 8.8277 116.1210 56.3982 42.5084 174.3981 44 C 5.3815 9.3805 117.6503 58.0932 32.1554 173.5060 45 L 4.9317 9.0479 125.8774 53.8615 43.1617 174.9787 46 S 5.1406 8.8678 123.8910 57.4624 64.6129 173.8192 47 V 5.0604 8.9135 124.7194 61.0895 34.9585 174.6693 48 S 5.0350 9.2939 122.3511 58.0127 65.1439 172.3716 49 D 5.1267 9.1277 120.3937 53.4357 45.4425 173.4993 50 F 5.5523 8.7826 122.3245 57.5035 42.3821 172.6007 51 D 4.6296 7.3879 123.5262 52.0687 42.3531 175.9590 52 N 4.1524 8.7256 116.1781 55.9063 38.9933 177.0730 53 A 4.0438 8.0879 120.5016 54.8259 18.6228 178.4073 54 K 4.2417 8.5770 112.1196 55.2437 33.8051 179.0876 55 G 3.2808 7.7778 108.7983 45.4931 0.0000 172.1918 56 L 4.9515 8.5516 124.0990 55.1748 42.9852 176.9874 57 N 4.9860 9.1604 122.5214 52.1530 41.3832 172.9908 58 V 4.9130 8.2242 118.0000 61.0117 34.5431 174.5271 59 K 4.5687 8.8753 125.6439 54.7611 35.7302 174.6910 60 H 5.2048 8.3083 119.5071 54.2233 31.5709 172.5228 61 Y 4.7246 8.6474 120.8313 55.9465 40.6335 174.7587 62 K 4.7651 8.6842 124.4494 55.7960 34.2562 175.0522 63 I 4.8657 8.9835 128.3503 59.7920 39.6348 175.0163 64 R 4.6883 8.8115 126.4531 54.5026 32.6224 175.3209 65 K 4.4955 8.1340 121.9499 54.6549 34.9529 175.7731 66 L 4.5174 8.5658 127.5345 53.7839 43.3013 177.6696 67 D 4.4000 8.6138 119.8914 57.1980 41.0530 178.1363 68 S 4.2470 7.9299 112.6717 59.3110 62.7872 174.7956 69 G 3.9866 7.9553 109.8775 44.9453 0.0000 174.4677 70 G 4.0436 7.7576 106.5043 46.0986 0.0000 172.5938 71 F 5.4722 9.1031 120.3369 55.7674 42.4345 174.1201 72 Y 5.1549 8.4820 118.5124 57.2511 41.0380 175.1302 73 I 4.1889 9.0075 120.5741 62.4905 38.3559 176.1688 74 T 4.7623 7.7846 114.5540 59.7818 69.0626 174.9268 75 S 2.8254 8.6128 122.9736 60.3874 63.0670 175.6053 76 R 3.9060 7.3260 118.4303 58.2036 29.9280 176.6317 77 T 4.1086 7.6516 113.7704 61.3480 69.2415 173.0162 78 Q 4.7423 7.6232 123.8627 53.8341 31.6622 175.3159 79 F 5.0025 8.6277 117.2024 55.8150 42.8717 176.1987 80 N 4.6469 9.0305 120.3765 55.6133 38.9701 175.7601 81 S 4.5052 7.6629 112.0240 55.7489 67.4452 174.8514 82 L 3.5271 7.1828 123.8059 57.9959 41.6462 179.2486 83 Q 4.2243 7.8660 117.7392 59.1624 28.6951 178.5333 84 Q 3.8895 8.1512 119.0725 58.6738 28.6916 178.6076 85 L 2.4400 7.4832 121.3052 57.6438 42.2473 179.2645 86 V 3.1652 7.5068 117.9082 65.6247 31.0563 177.8497 87 A 3.8555 7.7332 119.9272 55.1017 18.5121 178.6308 88 Y 3.8438 7.7383 118.1785 61.0272 38.8348 177.7511 89 Y 4.5232 7.6226 117.3716 59.2170 37.7762 177.6191 90 S 4.5860 7.3836 116.4879 59.2102 63.1640 174.7136 91 K 4.2810 7.4646 119.2574 56.2953 33.6387 176.0679 92 H 4.6547 7.4300 115.4219 53.6281 32.0706 174.1042 93 A 4.0326 8.7742 127.2624 54.1955 20.0301 179.9028 94 D 4.2935 7.9294 112.6221 55.9200 40.2594 175.1491 95 G 3.9558 9.0319 116.3155 46.2645 0.0000 173.6418 96 L 3.9621 7.8264 121.1948 53.8423 42.2523 177.9404 97 C 4.0437 8.9602 116.2949 61.1992 29.7276 173.3655 98 H 4.3963 7.1021 116.8064 55.0059 32.5932 173.6635 99 R 4.1313 7.6346 120.5393 55.7461 30.1960 175.8131 100 L 3.9342 8.5755 121.1536 55.9759 41.9598 175.6245 101 T 4.6898 9.2944 113.9484 61.4977 70.2119 174.2866 102 T 4.9327 7.8816 108.5845 58.4237 73.3761 173.7784 103 V 3.4407 8.2689 122.4748 62.8570 32.2594 175.2342 104 C 4.3262 8.2862 128.3394 58.9618 31.9633 171.6047 105 P 4.6350 0.0000 0.0000 62.4319 32.1151 176.4392 106 T 4.2267 8.3167 116.2776 63.9381 68.5315 174.9696 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 8.18 4.38 0.00 3.83 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 2 I 8.10 3.25 1.17 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.03 0.65 0.00 0.00 3 Q 8.12 4.13 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 4 A 7.46 4.13 1.25 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 0.00 0.00 0.00 5 E 7.79 3.68 0.00 1.16 1.12 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 2.03 1.53 0.00 6 E 8.40 3.88 0.00 2.04 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 2.33 2.28 0.00 7 W 7.30 4.52 0.00 3.43 3.11 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 8 Y 7.69 5.19 0.00 2.75 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 9 F 9.38 4.50 0.00 2.76 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 5.59 3.32 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 0.00 11 K 8.56 4.17 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 I 7.29 4.59 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 1.02 0.00 0.00 13 T 8.04 4.32 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 R 9.25 3.84 0.00 1.77 2.07 0.00 2.96 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 15 R 7.92 3.88 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 16 E 8.33 3.93 0.00 2.15 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 2.35 2.43 0.00 17 S 8.21 4.13 0.00 4.08 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 0.00 18 E 8.43 3.96 0.00 2.22 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 0.00 2.39 2.61 0.00 19 R 7.98 3.89 0.00 1.92 2.12 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 L 7.99 4.18 0.00 1.86 1.79 1.16 1.42 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 21 L 8.09 4.23 0.00 1.67 1.72 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.01 4.47 0.00 1.68 1.70 0.96 0.84 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 23 N 7.57 4.80 0.00 2.72 2.68 0.00 0.00 6.92 8.54 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 24 A 8.75 4.05 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 25 E 8.56 4.15 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 26 N 8.16 4.51 0.00 2.84 2.78 0.00 0.00 6.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.55 0.00 2.19 2.17 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 28 R 8.12 3.99 0.00 1.53 1.76 0.00 3.44 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 29 G 9.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.63 4.72 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 31 F 8.97 5.79 0.00 3.20 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 32 L 8.26 4.55 0.00 0.45 0.68 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.04 5.16 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 1.18 0.00 0.00 0.99 0.00 0.00 34 R 9.16 5.02 0.00 2.02 1.99 0.00 3.02 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 35 E 9.10 4.70 0.00 1.92 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 2.52 2.47 0.00 36 S 8.19 4.38 0.00 3.80 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 37 E 8.75 4.18 0.00 1.99 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 0.00 2.31 2.28 0.00 38 T 7.88 4.18 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 39 T 7.97 4.36 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 40 K 8.47 4.02 0.00 1.69 1.69 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 41 G 8.79 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 42 A 7.48 4.82 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 43 Y 8.83 5.14 0.00 3.11 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 44 C 9.38 5.38 0.00 2.90 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 45 L 9.05 4.93 0.00 1.80 1.67 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.87 5.14 0.00 3.82 3.73 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 47 V 8.91 5.06 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 1.16 0.00 0.00 1.07 0.00 0.00 48 S 9.29 5.03 0.00 3.92 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 49 D 9.13 5.13 0.00 2.80 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 50 F 8.78 5.55 0.00 3.10 2.91 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 51 D 7.39 4.63 0.00 2.67 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 52 N 8.73 4.15 0.00 2.71 2.91 0.00 0.00 6.91 7.35 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 53 A 8.09 4.04 1.25 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 0.00 0.00 0.00 54 K 8.58 4.24 0.00 1.57 1.77 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.29 7.81 55 G 7.78 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.55 4.95 0.00 2.00 1.73 1.10 0.91 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 57 N 9.16 4.99 0.00 2.81 2.84 0.00 0.00 6.02 7.91 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 58 V 8.22 4.91 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 0.64 0.00 0.00 0.92 0.00 0.00 59 K 8.88 4.57 0.00 1.56 1.03 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.52 7.81 60 H 8.31 5.20 0.00 2.87 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.65 4.72 0.00 2.96 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 62 K 8.68 4.77 0.00 1.87 1.71 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 63 I 8.98 4.87 2.14 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 1.30 0.64 1.16 0.00 0.00 64 R 8.81 4.69 0.00 0.67 1.48 0.00 3.13 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.61 0.00 65 K 8.13 4.50 0.00 1.38 1.56 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.17 1.29 7.81 66 L 8.57 4.52 0.00 1.69 1.62 0.97 1.35 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 67 D 8.61 4.40 0.00 2.66 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 68 S 7.93 4.25 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.96 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 70 G 7.76 4.04 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 0.00 0.00 0.00 71 F 9.10 5.47 0.00 3.20 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 72 Y 8.48 5.15 0.00 3.40 3.10 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 73 I 9.01 4.19 1.90 0.00 0.00 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 1.42 1.01 0.93 0.00 0.00 74 T 7.78 4.76 4.32 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 1.29 0.00 0.00 75 S 8.61 2.83 0.00 3.49 3.54 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 76 R 7.33 3.91 0.00 1.80 1.95 0.00 3.21 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 77 T 7.65 4.11 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 0.68 0.00 0.00 78 Q 7.62 4.74 0.00 1.80 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 79 F 8.63 5.00 0.00 3.27 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 80 N 9.03 4.65 0.00 3.05 2.98 0.00 0.00 6.75 7.57 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 81 S 7.66 4.51 0.00 3.97 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 82 L 7.18 3.53 0.00 0.59 1.26 0.76 0.21 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 83 Q 7.87 4.22 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 84 Q 8.15 3.89 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 85 L 7.48 2.44 0.00 1.59 1.64 1.23 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.51 3.17 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 0.20 0.00 0.00 -0.05 0.00 0.00 87 A 7.73 3.86 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 88 Y 7.74 3.84 0.00 2.79 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 0.00 0.00 0.00 0.00 89 Y 7.62 4.52 0.00 2.96 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 90 S 7.38 4.59 0.00 3.90 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 91 K 7.46 4.28 0.00 1.56 1.47 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.39 7.81 92 H 7.43 4.65 0.00 2.55 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.77 4.03 1.25 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 0.00 0.00 0.00 94 D 7.93 4.29 0.00 3.12 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 0.00 0.00 0.00 95 G 9.03 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 96 L 7.83 3.96 0.00 1.69 1.35 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.96 4.04 0.00 3.38 3.20 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 98 H 7.10 4.40 0.00 2.96 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.63 4.13 0.00 2.07 1.94 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 100 L 8.58 3.93 0.00 1.10 0.39 0.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.29 4.69 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 1.33 0.00 0.00 102 T 7.88 4.93 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 103 V 8.27 3.44 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 0.91 0.00 0.00 0.96 0.00 0.00 104 C 8.29 4.33 0.00 2.95 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 0.00 105 P 0.00 4.64 0.00 2.11 1.97 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 106 T 8.32 4.23 4.20 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 1.18 0.00 0.00