NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5997 8.1933 116.7454 58.0546 65.2814 172.5105 2 K 4.3246 9.7361 123.7711 55.5938 33.2225 171.0003 3 V 4.6051 8.8097 124.2546 60.9924 35.4623 173.7128 4 V 4.7976 8.4660 127.6313 61.2820 34.2800 173.5038 5 Y 4.8844 9.1770 126.0366 56.3308 40.3680 174.7313 6 V 4.7590 8.7911 126.0835 61.0676 33.3178 176.0272 7 S 4.7912 9.1812 123.8551 57.6303 63.9150 174.8632 8 H 4.1624 8.8498 116.3317 58.3776 28.1452 175.7991 9 D 4.5197 7.3693 116.4736 53.0020 39.2449 177.3194 10 G 3.9915 8.2500 109.4484 45.4748 0.0000 174.4509 11 T 4.0763 7.9136 117.5404 63.7684 69.5322 173.4400 12 R 5.0958 8.6099 124.6655 54.4782 32.6113 175.5296 13 R 4.6560 9.0190 122.5673 54.3201 33.2008 174.0667 14 E 5.1898 8.9559 124.9165 54.4028 31.7682 174.8067 15 L 4.9291 9.0875 126.1317 52.9587 46.0593 174.7396 16 D 5.1034 8.6372 120.4117 52.7999 42.5546 175.3851 17 V 4.4971 8.6738 126.5739 60.8108 33.5315 175.4420 18 A 4.2486 8.5677 130.2954 51.4723 19.2017 176.2187 19 D 4.5721 8.4623 119.9523 56.4261 41.2184 177.8029 20 G 3.9242 9.2130 111.9258 45.1525 0.0000 173.2730 21 V 4.3631 7.3413 120.2899 61.0258 33.1387 175.5467 22 S 4.7976 8.8779 122.2845 58.1370 65.2189 175.5851 23 L 4.1361 8.6745 123.4922 57.8825 41.1881 179.8353 24 M 3.9995 7.9548 118.0598 58.6801 32.3958 177.8127 25 Q 3.9608 8.3182 118.2969 59.2052 28.4551 179.1379 26 A 3.9921 8.1433 121.2645 54.9098 18.3838 179.6489 27 A 3.3015 7.7391 119.0212 55.3504 18.3093 180.2802 28 V 3.6854 7.7976 109.1652 63.7102 31.7544 178.2105 29 S 4.5064 7.7593 113.2820 59.4032 62.9293 174.1174 30 N 4.9096 7.1005 118.4100 52.9605 39.6786 175.1165 31 G 3.9259 8.5121 104.1150 46.2994 0.0000 175.7758 32 I 3.8863 7.2780 123.3898 59.1840 35.3424 176.0807 33 Y 4.1681 7.6551 121.5933 59.3477 38.1757 177.9909 34 D 4.5186 6.7555 117.6203 53.4990 39.9493 175.6625 35 I 4.3023 7.3078 121.6291 59.7934 39.2301 175.4690 36 V 3.7745 8.5408 125.7649 64.1777 32.0960 176.9709 37 G 3.8928 7.8263 106.7582 45.8912 0.0000 174.8815 38 D 4.4121 8.3687 121.0060 57.2938 41.2395 177.3490 39 C 4.2437 7.9192 110.1943 59.0756 30.0354 174.1461 40 G 3.8024 7.9727 109.1377 45.7347 0.0000 173.8210 41 G 3.8298 8.2525 105.6499 46.1196 0.0000 174.4877 42 S 4.5030 8.0680 110.5463 56.8100 63.5828 173.5998 43 A 3.7053 7.9538 120.7310 54.6276 15.3798 178.3927 44 S 4.7869 8.0071 112.5278 58.6784 64.5075 175.1580 45 C 4.5090 7.4724 113.4758 56.5968 31.4954 175.2264 46 A 3.6041 8.1161 120.5669 53.0045 15.7441 177.3298 47 T 4.3154 7.3155 106.7798 61.7138 68.8782 175.0730 48 C 4.8797 7.4704 115.8641 58.3567 31.0223 172.7625 49 H 4.6472 8.3696 119.3590 57.6604 29.9028 174.5836 50 V 4.2765 8.8661 117.6566 60.0607 37.0582 173.4308 51 Y 5.1415 8.7713 120.3056 56.3417 39.8342 175.4926 52 V 4.1167 8.7125 126.2227 62.1119 32.4317 175.3771 53 N 4.4491 8.9811 127.0879 53.9888 39.6928 175.3212 54 E 3.9689 9.2864 122.7969 59.5800 29.5277 178.7743 55 A 4.0483 8.5831 120.7820 53.5796 18.5776 177.5264 56 F 4.7468 8.5002 113.5690 56.7279 40.9377 177.1304 57 T 3.9230 7.6538 110.5728 64.9743 68.3000 175.2897 58 D 4.4973 8.0241 119.2638 55.5484 41.1089 176.8412 59 K 4.4224 7.9534 117.3049 56.1468 32.6295 176.5048 60 V 4.5515 7.2642 111.6999 58.3059 34.5561 173.7010 61 P 4.2829 0.0000 0.0000 62.4225 31.7422 176.6151 62 A 4.0979 8.4101 124.2374 51.9975 18.9528 177.2060 63 A 4.3599 8.5466 122.9180 51.3929 19.2676 178.5237 64 N 4.7637 8.4217 120.7922 51.9962 40.5210 175.9863 65 E 4.0145 8.5476 118.6458 59.3641 29.4182 179.4671 66 R 3.8644 7.9735 118.6373 59.1916 30.0813 178.0251 67 E 3.8815 8.6359 119.1898 59.3897 29.5677 178.6486 68 I 3.8008 7.8630 119.9878 64.5355 36.9475 178.6271 69 G 3.6236 8.0472 105.3369 48.0792 0.0000 175.3954 70 M 4.2211 8.0710 121.0248 58.0799 32.0276 178.7532 71 L 3.9419 8.5544 119.4340 57.6747 41.4709 179.1182 72 E 4.1040 7.9094 118.8106 58.4860 29.4945 177.5035 73 G 4.0189 7.5681 105.6875 45.0395 0.0000 174.1378 74 V 3.6781 7.3567 113.3796 61.7118 31.9433 176.5661 75 T 4.1037 8.3648 112.0642 63.1388 69.4798 174.8521 76 A 4.4694 7.6584 124.3488 50.2578 20.3907 175.8305 77 E 4.0532 8.6255 119.9041 56.3337 30.0153 175.9177 78 L 4.4400 8.5240 128.3319 54.4375 43.0734 175.6605 79 K 4.7549 9.2918 124.6745 53.5299 35.4933 175.3453 80 P 4.2805 0.0000 0.0000 65.3877 31.3460 177.3322 81 N 4.8668 8.0646 113.6246 52.5700 37.6375 174.4280 82 S 4.9703 7.9917 115.6860 59.4630 63.4829 173.7868 83 R 4.7716 9.1921 121.9466 54.9111 35.5856 174.0615 84 L 4.7814 9.1994 121.7246 53.4630 42.6892 177.7779 85 C 4.3265 9.1701 120.5454 59.8046 29.7456 175.0441 86 C 4.3536 7.8988 114.6110 59.9538 29.5911 174.0382 87 Q 4.2155 8.0285 118.6278 56.3788 28.9763 175.2301 88 I 4.3403 7.4861 120.3342 59.8088 38.7942 174.5657 89 I 4.5772 8.1366 128.4449 59.4771 38.7182 175.6862 90 M 4.3463 8.8650 127.9304 56.0553 33.4497 175.0463 91 T 4.9770 8.2226 113.7239 59.4508 72.7359 172.9891 92 P 4.3950 0.0000 0.0000 64.8989 31.5139 178.3224 93 E 4.2278 7.7924 113.4260 57.7489 29.8196 177.2126 94 L 4.6440 7.7664 119.7724 54.3307 42.0297 175.5542 95 D 4.3917 7.6845 119.3721 56.2367 41.2510 176.9174 96 G 3.9567 9.0361 115.4777 44.5757 0.0000 173.3635 97 I 2.0000 7.2917 121.1102 60.8855 39.0716 174.5335 98 V 4.6216 7.5999 127.8513 61.0798 34.3170 174.3898 99 V 4.8801 8.5096 120.4348 59.6528 35.5231 174.1310 100 D 5.2992 9.2470 124.4209 52.9562 42.9972 175.4632 101 V 4.4780 8.7589 123.7420 60.3312 32.8772 174.0253 102 P 4.6631 0.0000 0.0000 62.3398 31.9698 176.5843 103 D 4.3373 8.5272 117.5070 54.8410 39.7379 176.2744 104 R 4.7336 7.2672 115.3683 55.3742 32.1320 174.5610 105 Q 4.3559 8.6870 116.9661 55.9806 31.3653 176.0455 106 W 4.6466 8.1110 121.1140 56.7859 29.3303 175.8614 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 8.19 4.60 0.00 3.78 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 2 K 9.74 4.32 0.00 1.78 1.69 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.44 7.81 3 V 8.81 4.61 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 0.40 0.00 0.00 0.82 0.00 0.00 4 V 8.47 4.80 1.97 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 1.00 0.00 0.00 0.89 0.00 0.00 5 Y 9.18 4.88 0.00 2.88 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 6 V 8.79 4.76 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 0.93 0.00 0.00 7 S 9.18 4.79 0.00 4.09 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 8 H 8.85 4.16 0.00 3.36 3.68 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.37 4.52 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 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 11 T 7.91 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 12 R 8.61 5.10 0.00 1.68 1.85 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 13 R 9.02 4.66 0.00 1.83 1.82 0.00 3.15 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 14 E 8.96 5.19 0.00 1.96 1.83 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 2.19 2.30 0.00 15 L 9.09 4.93 0.00 1.71 1.56 0.89 0.83 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 16 D 8.64 5.10 0.00 2.65 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 17 V 8.67 4.50 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 0.83 0.00 0.00 0.98 0.00 0.00 18 A 8.57 4.25 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 19 D 8.46 4.57 0.00 2.68 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 20 G 9.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.34 4.36 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 1.07 0.00 0.00 0.93 0.00 0.00 22 S 8.88 4.80 0.00 4.18 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 23 L 8.67 4.14 0.00 1.87 1.84 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.95 4.00 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 25 Q 8.32 3.96 0.00 2.29 2.15 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 2.38 2.39 0.00 26 A 8.14 3.99 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 27 A 7.74 3.30 1.07 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 0.00 0.00 28 V 7.80 3.69 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 0.82 0.00 0.00 0.98 0.00 0.00 29 S 7.76 4.51 0.00 3.89 3.89 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 30 N 7.10 4.91 0.00 2.59 2.69 0.00 0.00 7.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.51 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 0.00 0.00 0.00 32 I 7.28 3.89 1.51 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 1.04 0.45 0.44 0.00 0.00 33 Y 7.66 4.17 0.00 3.15 3.17 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 34 D 6.76 4.52 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.31 4.30 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.82 0.00 0.00 36 V 8.54 3.77 1.76 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 0.91 0.00 0.00 0.86 0.00 0.00 37 G 7.83 3.89 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 0.00 0.00 0.00 38 D 8.37 4.41 0.00 2.57 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 39 C 7.92 4.24 0.00 3.13 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 40 G 7.97 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 41 G 8.25 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 42 S 8.07 4.50 0.00 3.96 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 43 A 7.95 3.71 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 44 S 8.01 4.79 0.00 3.82 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 45 C 7.47 4.51 0.00 2.94 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 46 A 8.12 3.60 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 47 T 7.32 4.32 3.52 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 -0.03 0.00 0.00 48 C 7.47 4.88 0.00 2.92 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 49 H 8.37 4.65 0.00 3.07 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.87 4.28 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 0.63 0.00 0.00 0.86 0.00 0.00 51 Y 8.77 5.14 0.00 2.85 2.94 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 52 V 8.71 4.12 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 0.80 0.00 0.00 0.93 0.00 0.00 53 N 8.98 4.45 0.00 2.96 2.94 0.00 0.00 6.54 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 54 E 9.29 3.97 0.00 2.18 2.23 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 2.38 2.32 0.00 55 A 8.58 4.05 1.11 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 56 F 8.50 4.75 0.00 3.13 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 57 T 7.65 3.92 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 1.34 0.00 0.00 58 D 8.02 4.50 0.00 2.66 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 59 K 7.95 4.42 0.00 1.98 1.90 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.33 7.81 60 V 7.26 4.55 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 0.79 0.00 0.00 0.98 0.00 0.00 61 P 0.00 4.28 0.00 2.04 1.99 0.00 3.70 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 2.03 2.10 0.00 62 A 8.41 4.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.55 4.36 1.26 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 0.00 0.00 0.00 64 N 8.42 4.76 0.00 3.00 2.99 0.00 0.00 6.28 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 65 E 8.55 4.01 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 66 R 7.97 3.86 0.00 1.87 2.05 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 67 E 8.64 3.88 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 2.29 2.33 0.00 68 I 7.86 3.80 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.38 0.91 0.00 0.00 69 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.07 4.22 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 71 L 8.55 3.94 0.00 1.77 1.69 0.97 0.72 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 72 E 7.91 4.10 0.00 1.90 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 2.32 2.33 0.00 73 G 7.57 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.36 3.68 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 0.41 0.00 0.00 0.95 0.00 0.00 75 T 8.36 4.10 4.31 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 1.26 0.00 0.00 76 A 7.66 4.47 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 77 E 8.63 4.05 0.00 1.99 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 2.32 2.33 0.00 78 L 8.52 4.44 0.00 1.66 1.60 1.00 0.59 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 79 K 9.29 4.75 0.00 1.86 1.57 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.76 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.20 1.38 7.81 80 P 0.00 4.28 0.00 2.04 2.13 0.00 3.64 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 2.02 2.08 0.00 81 N 8.06 4.87 0.00 3.09 3.07 0.00 0.00 6.30 7.64 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 82 S 7.99 4.97 0.00 3.99 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 83 R 9.19 4.77 0.00 1.64 1.75 0.00 3.29 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 84 L 9.20 4.78 0.00 1.53 1.56 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 C 9.17 4.33 0.00 3.08 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 86 C 7.90 4.35 0.00 3.08 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 87 Q 8.03 4.22 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 88 I 7.49 4.34 1.84 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 1.22 0.71 0.87 0.00 0.00 89 I 8.14 4.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.91 0.00 0.00 90 M 8.86 4.35 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 91 T 8.22 4.98 4.38 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 1.28 0.00 0.00 92 P 0.00 4.39 0.00 2.21 2.15 0.00 3.87 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 2.11 2.30 0.00 93 E 7.79 4.23 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 94 L 7.77 4.64 0.00 1.85 1.65 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 95 D 7.68 4.39 0.00 2.77 2.63 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 0.00 0.00 0.00 0.00 96 G 9.04 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 97 I 7.29 2.00 1.17 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 0.61 0.63 0.58 0.00 0.00 98 V 7.60 4.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 99 V 8.51 4.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.65 0.00 0.00 100 D 9.25 5.30 0.00 2.81 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 0.00 101 V 8.76 4.48 2.17 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 0.73 0.00 0.00 0.97 0.00 0.00 102 P 0.00 4.66 0.00 2.22 1.95 0.00 3.56 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.55 0.00 103 D 8.53 4.34 0.00 2.51 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 0.00 104 R 7.27 4.73 0.00 2.04 1.93 0.00 3.05 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 105 Q 8.69 4.36 0.00 1.70 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 106 W 8.11 4.65 0.00 3.27 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