NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1621 8.0249 120.7863 59.8337 40.3997 174.6020 2 Q 4.7941 7.6925 120.4930 53.7973 33.4479 172.8894 3 R 4.7573 9.4748 121.2801 54.7233 34.5628 174.3349 4 T 4.8753 8.8864 118.1112 59.9800 68.5541 172.3662 5 P 4.8719 0.0000 0.0000 62.8184 32.4678 176.0805 6 K 4.4737 9.2171 122.3725 56.3405 33.8105 176.0166 7 I 5.1532 8.2142 122.4646 59.8956 40.8545 174.7096 8 Q 4.8240 9.3196 125.2915 54.0950 32.5998 174.3571 9 V 5.0193 8.4354 123.3192 61.4633 34.0511 173.8793 10 Y 5.2160 8.1990 124.1806 56.7908 41.5831 173.0231 11 S 4.9513 9.0123 114.6540 56.8092 64.9451 174.2938 12 R 4.1254 8.8271 122.2269 59.1922 30.1898 176.3656 13 H 5.1583 8.3180 113.4882 52.6584 31.9665 171.8298 14 P 4.3454 0.0000 0.0000 63.1352 31.6217 176.2077 15 A 4.3497 8.6786 125.5018 51.7010 19.3985 176.4958 16 E 4.5327 8.5005 122.5285 53.9570 31.8526 174.3868 17 N 4.3709 8.9170 123.1212 55.3557 38.8932 175.4798 18 G 3.8657 9.3992 110.9011 45.2560 0.0000 172.5848 19 K 4.5063 7.7658 121.2858 53.9586 33.8178 175.9718 20 S 4.1643 8.6092 122.4299 59.0930 63.2422 172.5134 21 N 5.1013 8.9157 124.1587 52.7790 43.0260 172.0297 22 F 5.2209 8.9771 116.2707 55.6509 42.7894 174.1065 23 L 3.9864 8.6957 125.8333 53.4256 43.4634 174.7719 24 N 5.3902 8.6629 123.7322 51.4415 42.0568 172.8148 25 C 5.2585 9.5737 122.3531 55.1021 46.0426 171.8009 26 Y 5.5401 9.3800 128.6064 56.3604 40.2950 174.4925 27 V 5.0860 8.6986 120.8168 59.9236 34.6266 175.1782 28 S 5.1506 8.4512 117.6366 58.3262 66.8821 174.7193 29 G 4.2435 8.8257 105.8998 46.9754 0.0000 173.1564 30 F 5.3487 7.3241 114.0198 55.5591 41.2210 174.0356 31 H 5.3151 9.0988 118.8134 54.8710 33.7280 171.9225 32 P 4.9176 0.0000 0.0000 62.2131 32.5715 176.0034 33 S 4.0652 8.4197 112.9673 60.3268 63.3283 174.5344 34 D 4.4410 7.8593 121.3546 54.4962 41.0585 175.1072 35 I 4.5062 7.8277 121.8514 59.8494 41.2870 172.8439 36 E 4.6032 9.0715 128.8830 54.3021 32.1664 174.7103 37 V 4.5765 8.0314 125.8879 61.1092 34.2100 174.0415 38 D 5.0297 9.0651 127.3628 52.4395 44.8211 174.7214 39 L 5.0699 8.3198 120.6454 53.2026 44.3913 175.2642 40 L 5.2222 8.8224 123.4081 52.7846 44.9008 175.2722 41 K 4.3050 8.9699 124.7025 54.6365 34.4094 175.9062 42 N 4.1609 9.9013 127.8201 54.3901 36.5907 175.6497 43 G 3.9766 8.2434 104.4824 45.4034 0.0000 173.3153 44 E 4.6108 7.7180 119.4159 54.1112 31.5852 175.1172 45 R 4.4390 8.3232 122.7655 56.4374 30.6911 176.1058 46 I 4.0508 8.7991 128.5914 61.2993 37.6300 176.0173 47 E 4.1346 8.8532 125.7942 56.3002 31.1379 176.7445 48 K 4.0622 8.7015 118.8501 57.2413 29.7244 176.0573 49 V 3.6429 7.1024 118.4212 63.5889 31.9622 175.2663 50 E 4.5895 8.4098 126.6247 55.0417 32.2744 174.3073 51 H 5.3355 7.7493 115.3805 53.7226 31.8472 173.0038 52 S 4.5989 8.8181 115.1178 57.9686 64.1771 173.4368 53 D 4.5390 8.4825 120.1721 53.3772 41.3211 176.3138 54 L 4.0184 8.5441 125.1866 56.2471 42.6379 176.0826 55 S 4.7796 8.2567 120.9025 57.0166 67.7953 172.4899 56 F 5.1255 7.4394 113.9826 56.1279 40.7784 174.3836 57 S 4.7234 9.2066 117.3418 57.1758 64.3373 175.5938 58 K 3.7098 8.4087 119.9967 59.3818 31.7203 177.8350 59 D 4.4924 7.8799 116.4101 52.7653 39.3355 177.3264 60 W 3.6123 7.7373 118.3237 57.0751 27.9919 174.6111 61 S 4.3862 8.1480 114.2411 58.1019 63.9588 173.8704 62 F 5.0427 8.4929 121.2620 57.0892 40.3079 174.2742 63 Y 5.3984 8.2118 117.9074 55.8218 41.7789 173.9890 64 L 5.1445 9.4579 120.1549 53.3798 47.0025 174.5983 65 L 5.3932 9.3527 125.1745 53.9041 44.2790 174.5260 66 Y 5.2587 9.5014 124.8633 56.8381 40.4844 174.3708 67 Y 5.8383 8.4971 119.8836 56.9665 42.0182 173.4158 68 T 5.0135 8.3586 113.6978 60.6135 71.0893 172.5655 69 E 3.9495 8.6127 126.7570 56.7512 30.2479 176.2265 70 F 4.7989 8.6847 116.5562 56.1278 41.7759 173.3723 71 T 4.4215 8.1872 117.8008 60.8678 69.9807 172.2882 72 P 4.6902 0.0000 0.0000 62.9558 33.0096 175.2933 73 T 4.8590 8.3501 110.4406 59.8139 71.7552 173.2493 74 E 4.1355 8.9381 121.2590 58.9373 29.9219 177.7835 75 K 4.2217 8.0056 117.0943 58.5937 32.7367 177.2407 76 D 4.6310 8.0913 118.9370 54.1706 41.4082 175.2789 77 E 4.8711 9.1735 123.8460 55.0628 31.9616 174.7369 78 Y 5.6252 9.0621 119.5697 55.6818 42.3360 174.1336 79 A 5.0973 8.4396 121.5744 51.3700 23.4256 175.2016 80 C 5.3023 9.4195 119.2611 54.7807 45.2332 172.5777 81 R 5.1340 9.0795 126.0405 54.4912 32.7216 174.2719 82 V 4.7943 8.8796 125.9816 61.0673 34.6978 173.6466 83 N 5.3135 9.0467 125.9068 52.4666 42.5804 172.2144 84 H 5.0120 8.3481 121.4712 54.9863 32.9678 174.6937 85 V 3.5807 8.1272 122.0800 64.7663 31.2866 177.5166 86 T 4.1134 8.0561 109.4133 62.7606 69.1491 173.4863 87 L 4.7488 7.5938 123.0870 52.8584 43.6488 176.6583 88 S 4.3013 8.8844 119.8116 61.1059 63.0745 174.6850 89 Q 4.6570 7.5554 115.9373 52.8623 32.2734 173.1752 90 P 4.4818 0.0000 0.0000 63.1114 32.2129 175.4615 91 K 4.5165 9.2430 125.1223 55.0136 34.1769 174.8957 92 I 4.9087 8.3523 127.5851 59.5098 39.5638 174.8859 93 V 4.4250 8.7722 127.3878 60.9323 33.8033 174.7846 94 K 4.7888 8.7381 127.4797 55.6328 33.2073 176.4944 95 W 4.5862 9.3254 135.0000 57.3441 31.6281 174.9562 96 D 4.4307 8.4619 126.1124 51.8550 42.6380 176.2280 97 R 3.7483 7.8527 123.5773 58.3177 29.3667 176.7062 98 D 4.9434 7.7315 117.7998 54.2724 41.2819 176.3078 99 M 4.3931 8.0629 125.0688 55.7192 33.0708 175.1813 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 I 8.02 4.16 1.88 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 1.44 1.36 0.93 0.00 0.00 2 Q 7.69 4.79 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 3 R 9.47 4.76 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 4 T 8.89 4.88 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 1.25 0.00 0.00 5 P 0.00 4.87 0.00 2.00 1.70 0.00 3.75 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 6 K 9.22 4.47 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 7 I 8.21 5.15 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.95 0.00 0.00 8 Q 9.32 4.82 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 9 V 8.44 5.02 2.32 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 0.93 0.00 0.00 1.12 0.00 0.00 10 Y 8.20 5.22 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 11 S 9.01 4.95 0.00 4.13 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 12 R 8.83 4.13 0.00 1.82 2.01 0.00 3.04 0.00 0.00 3.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 13 H 8.32 5.16 0.00 3.22 3.21 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.35 0.00 2.11 2.08 0.00 3.77 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 2.09 2.18 0.00 15 A 8.68 4.35 1.66 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 16 E 8.50 4.53 0.00 1.98 1.78 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 2.27 2.31 0.00 17 N 8.92 4.37 0.00 2.77 2.82 0.00 0.00 7.23 7.65 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 18 G 9.40 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 19 K 7.77 4.51 0.00 1.73 1.76 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.32 7.81 20 S 8.61 4.16 0.00 3.84 3.70 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 21 N 8.92 5.10 0.00 2.49 2.45 0.00 0.00 6.73 7.25 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 22 F 8.98 5.22 0.00 2.98 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 23 L 8.70 3.99 0.00 0.27 0.72 -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.66 5.39 0.00 1.45 1.98 0.00 0.00 5.98 7.65 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 25 C 9.57 5.26 0.00 2.88 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 26 Y 9.38 5.54 0.00 3.42 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 27 V 8.70 5.09 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 0.64 0.00 0.00 1.06 0.00 0.00 28 S 8.45 5.15 0.00 3.86 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 29 G 8.83 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 0.00 0.00 0.00 0.00 30 F 7.32 5.35 0.00 3.14 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 31 H 9.10 5.32 0.00 3.30 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.92 0.00 2.14 2.17 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 33 S 8.42 4.07 0.00 3.25 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 34 D 7.86 4.44 0.00 2.65 2.61 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 35 I 7.83 4.51 1.45 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.43 0.82 0.00 0.00 36 E 9.07 4.60 0.00 1.96 1.66 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 2.10 2.15 0.00 37 V 8.03 4.58 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 0.00 0.00 0.32 0.00 0.00 0.44 0.00 0.00 38 D 9.07 5.03 0.00 2.50 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 5.07 0.00 1.56 1.53 0.89 0.48 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 40 L 8.82 5.22 0.00 1.58 1.53 nan 0.32 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 41 K 8.97 4.31 0.00 1.84 1.62 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 0.87 7.81 42 N 9.90 4.16 0.00 2.74 2.77 0.00 0.00 7.16 8.32 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 43 G 8.24 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 0.00 0.00 0.00 44 E 7.72 4.61 0.00 1.98 1.84 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 2.22 2.34 0.00 45 R 8.32 4.44 0.00 1.81 1.84 0.00 3.22 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 46 I 8.80 4.05 1.95 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 1.30 0.78 0.93 0.00 0.00 47 E 8.85 4.13 0.00 1.93 1.86 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 2.39 2.34 0.00 48 K 8.70 4.06 0.00 1.89 1.87 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 49 V 7.10 3.64 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 0.81 0.00 0.00 0.96 0.00 0.00 50 E 8.41 4.59 0.00 1.16 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 2.08 2.11 0.00 51 H 7.75 5.34 0.00 2.26 1.76 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.82 4.60 0.00 3.99 4.06 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 53 D 8.48 4.54 0.00 2.70 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 54 L 8.54 4.02 0.00 1.63 1.63 0.81 0.65 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 55 S 8.26 4.78 0.00 2.72 3.23 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 0.00 56 F 7.44 5.13 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.21 4.72 0.00 4.10 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 58 K 8.41 3.71 0.00 1.63 1.70 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.32 7.81 59 D 7.88 4.49 0.00 2.79 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 60 W 7.74 3.61 0.00 3.28 2.97 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 61 S 8.15 4.39 0.00 3.85 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 62 F 8.49 5.04 0.00 1.66 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 63 Y 8.21 5.40 0.00 2.99 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 64 L 9.46 5.14 0.00 1.92 1.71 1.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.35 5.39 0.00 2.08 1.73 1.15 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.50 5.26 0.00 2.96 2.88 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 67 Y 8.50 5.84 0.00 3.08 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 68 T 8.36 5.01 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 1.10 0.00 0.00 69 E 8.61 3.95 0.00 1.70 1.58 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 1.47 2.01 0.00 70 F 8.68 4.80 0.00 2.85 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 71 T 8.19 4.42 4.15 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 1.11 0.00 0.00 72 P 0.00 4.69 0.00 2.31 2.19 0.00 3.40 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.67 0.00 73 T 8.35 4.86 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 1.25 0.00 0.00 74 E 8.94 4.14 0.00 1.98 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 2.31 2.29 0.00 75 K 8.01 4.22 0.00 1.81 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.47 7.81 76 D 8.09 4.63 0.00 2.88 2.43 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 0.00 77 E 9.17 4.87 0.00 1.83 1.87 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 2.26 2.42 0.00 78 Y 9.06 5.63 0.00 3.12 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 79 A 8.44 5.10 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 80 C 9.42 5.30 0.00 2.95 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 81 R 9.08 5.13 0.00 1.82 1.67 0.00 3.05 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 82 V 8.88 4.79 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 0.55 0.00 0.00 0.81 0.00 0.00 83 N 9.05 5.31 0.00 2.67 2.53 0.00 0.00 6.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.35 5.01 0.00 3.06 3.02 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.13 3.58 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 0.76 0.00 0.00 0.91 0.00 0.00 86 T 8.06 4.11 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 1.35 0.00 0.00 87 L 7.59 4.75 0.00 1.89 1.77 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.88 4.30 0.00 3.86 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 89 Q 7.56 4.66 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 90 P 0.00 4.48 0.00 1.91 1.96 0.00 3.64 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 2.01 2.07 0.00 91 K 9.24 4.52 0.00 1.76 1.64 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 I 8.35 4.91 1.88 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 1.22 0.76 0.93 0.00 0.00 93 V 8.77 4.42 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 1.11 0.00 0.00 0.97 0.00 0.00 94 K 8.74 4.79 0.00 1.74 1.80 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.48 7.81 95 W 9.33 4.59 0.00 3.25 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.43 0.00 2.67 2.41 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 97 R 7.85 3.75 0.00 1.84 1.49 0.00 2.96 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.47 0.00 98 D 7.73 4.94 0.00 2.62 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 99 M 8.06 4.39 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00