NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3773 8.3001 118.1932 54.6258 32.5707 174.8323 2 A 4.2046 8.5402 123.9404 52.1049 19.2392 175.3298 3 T 4.5733 9.5158 119.1474 61.5927 72.8658 171.6045 4 V 4.5444 8.3333 125.3795 62.0898 32.8824 174.5530 5 H 4.8566 9.4379 126.3706 54.1948 30.5673 174.4851 6 K 4.4666 8.8603 126.3036 55.1805 32.9117 176.1891 7 V 2.0000 7.6637 128.9193 63.7057 31.5929 176.9082 8 G 3.7811 5.9340 113.8442 44.8241 0.0000 173.5233 9 D 4.1539 7.9857 120.7597 54.8711 40.2646 176.9144 10 S 4.2188 8.8617 118.3624 62.4113 62.9216 176.0162 11 T 3.8900 7.9425 117.4388 64.0230 68.4489 176.2093 12 G 3.7832 7.5659 110.1951 44.7264 0.0000 171.7095 13 W 4.8664 8.6405 132.2516 56.4882 30.6724 176.2758 14 T 4.2731 8.1472 119.2246 61.6918 70.0173 173.0602 15 T 4.4560 7.9600 117.6805 62.4949 70.3403 174.9263 16 L 4.0402 8.0320 124.3992 57.6505 41.9971 177.3124 17 V 4.5977 7.2341 107.5963 58.3772 35.6176 173.4677 18 P 4.3955 0.0000 0.0000 63.1202 31.8596 175.8772 19 Y 4.3517 8.1201 122.1447 55.2872 41.6616 173.7202 20 D 4.7221 7.7007 126.8544 53.5458 40.1464 175.8527 21 Y 4.5918 8.4079 123.3717 60.1750 38.2410 177.5157 22 A 4.2733 8.3739 121.9974 55.2229 18.7679 179.6420 23 K 4.0560 8.7597 117.1657 58.9023 31.8358 179.5186 24 W 4.1035 8.0943 128.0878 60.4306 31.0235 177.4500 25 A 4.0647 8.7129 120.8129 55.5201 17.6779 179.8692 26 S 4.1309 8.0988 112.4020 61.1782 62.9456 176.1969 27 S 4.2935 7.4749 114.4252 58.2776 63.3732 173.5044 28 N 4.5069 6.8739 119.5526 51.1791 40.8672 174.1296 29 K 4.1828 7.6296 118.7371 54.6801 34.6423 175.6304 30 F 4.7667 8.3097 124.5302 56.5411 40.6983 174.9029 31 H 5.7250 9.3814 120.2634 52.4148 32.6171 173.6254 32 V 3.8702 8.9923 121.6589 65.0240 31.7313 176.0259 33 G 4.0460 9.1636 115.2569 45.5326 0.0000 173.3532 34 D 5.0071 8.2306 119.9735 54.2250 42.8241 175.1016 35 S 5.0367 8.9880 113.0181 57.3616 67.1722 172.8457 36 L 5.1934 8.9250 120.3026 52.7912 44.9165 175.4984 37 L 5.0689 8.6105 124.6101 53.4134 44.9456 175.0518 38 F 4.5883 9.2589 126.5925 56.0879 40.7369 174.5455 39 N 5.4730 8.4833 122.3096 51.9733 40.2940 173.9279 40 Y 4.9654 8.1680 120.5771 56.4642 42.3556 173.1086 41 N 4.5813 8.8327 118.9122 52.7305 38.5137 174.8095 42 N 5.2864 8.7576 121.5672 54.0355 37.2271 175.7521 43 K 4.4025 8.6877 118.3875 57.1905 32.9627 177.1853 44 F 4.4255 8.6046 116.9313 58.0937 40.7274 174.6713 45 H 5.1191 8.1762 114.8118 54.1317 32.2988 170.7971 46 N 5.0326 8.1766 116.3471 52.0841 41.3151 173.1906 47 V 4.4650 8.8548 118.1481 61.0969 34.3636 173.9780 48 L 5.2911 9.0582 128.3401 52.9922 44.9068 175.2815 49 Q 4.6850 9.1660 125.3899 55.2350 30.6272 174.9286 50 V 4.8944 8.2796 118.9259 59.9191 36.3979 174.1330 51 D 4.7182 8.7795 121.3691 51.9333 41.4732 177.2250 52 Q 2.5868 8.2492 118.7242 59.0333 28.8089 177.8791 53 E 3.8930 8.0241 118.7573 59.7658 29.4756 179.3752 54 Q 3.9849 8.8612 118.1363 58.7043 28.8125 178.4705 55 F 4.1293 8.3480 122.0090 61.5129 39.2010 177.3908 56 K 3.9410 8.1872 116.8952 58.7574 31.9256 178.4890 57 S 4.4976 7.6836 110.9638 57.2496 63.5937 173.2069 58 C 3.9953 7.5858 118.0552 58.0488 38.0943 172.7835 59 N 4.6298 8.3907 119.2776 53.1902 38.3893 174.2930 60 S 4.7833 8.5169 119.7245 58.0687 63.4146 175.2768 61 S 4.2800 8.5520 117.3534 61.0386 63.5691 174.7007 62 S 4.6242 7.5009 114.7831 56.2061 62.2576 171.4089 63 P 4.4952 0.0000 0.0000 62.6429 32.3237 177.2443 64 A 4.3334 8.8925 122.2761 54.5578 19.1122 177.4592 65 A 4.7162 7.7057 115.2420 51.0050 22.8055 175.4622 66 S 5.0591 7.9393 112.9980 56.9730 66.4032 172.9922 67 Y 4.8659 9.2450 119.4663 56.2889 42.0802 176.2147 68 T 5.2821 8.7034 111.4627 61.0086 69.6864 175.0527 69 S 4.2111 8.7996 119.4319 60.0222 63.6063 175.3530 70 G 2.6651 9.5000 108.8697 43.9699 0.0000 173.2103 71 A 4.8360 7.3440 121.1296 50.6145 18.6337 176.9745 72 D 4.4425 8.4399 122.5732 54.5539 42.5216 177.2156 73 S 5.0443 8.6316 118.6750 56.7629 63.9789 172.9556 74 I 4.4557 8.6479 128.7514 58.5204 39.6571 173.4974 75 P 4.5568 0.0000 0.0000 62.8382 32.5022 176.5408 76 L 4.5018 8.5671 122.5609 52.7808 41.7705 176.8839 77 K 4.4185 8.2745 119.2925 56.9615 33.8733 177.7859 78 R 4.7806 7.4956 117.4421 53.7817 34.1393 173.0866 79 P 4.5632 0.0000 0.0000 62.8825 32.0990 176.3212 80 G 3.9297 7.5594 107.1653 43.9035 0.0000 171.7594 81 T 4.6788 7.3908 116.7417 61.6566 70.0621 174.6505 82 F 4.6115 8.7433 124.9300 55.6235 42.7594 173.9675 83 Y 4.9305 8.0285 118.2288 56.2282 41.5598 174.6040 84 F 5.6737 9.3489 121.0559 56.0707 43.7352 173.6666 85 L 5.3699 9.0429 120.6195 55.0720 44.2463 173.5675 86 C 5.0656 8.2045 121.2706 58.0890 31.9039 173.9196 87 G 3.8491 8.9099 114.0749 46.2941 0.0000 173.9417 88 I 3.6147 7.5427 122.1578 60.4108 37.5422 173.3570 89 P 4.2604 0.0000 0.0000 64.6139 29.9940 176.4761 90 G 4.0876 8.5428 112.5841 45.9470 0.0000 175.2800 91 H 4.2770 8.4527 117.2762 59.0946 29.1035 176.9572 92 C 4.4011 8.3061 118.9364 59.7251 43.5835 175.4687 93 Q 3.7014 7.4116 116.8070 58.3370 28.3051 176.9971 94 L 4.3269 7.4013 116.1012 54.4371 41.7305 177.2203 95 G 4.1273 8.0360 106.9141 45.3320 0.0000 175.2004 96 Q 4.0679 7.8642 122.6924 54.2013 27.0626 174.0424 97 K 5.6043 7.8429 119.3354 55.6039 36.0844 176.2740 98 V 5.0128 10.0424 121.6438 60.5582 35.1407 173.0953 99 E 4.6159 9.2165 125.0589 54.7180 31.1818 174.7879 100 I 4.1302 8.6947 127.8340 59.4648 39.9447 174.9451 101 K 4.5371 8.6635 127.8573 55.1182 32.9069 176.3506 102 V 4.2897 9.0086 127.2928 61.6747 32.7915 175.9195 103 D 4.7128 8.8132 130.6463 54.7863 38.9146 171.8875 104 P 4.4629 0.0000 0.0000 62.1837 32.7716 177.2939 105 G 3.6957 8.6821 109.1048 47.7420 0.0000 173.5326 106 S 4.7955 7.6839 112.0919 55.9253 66.2615 173.9642 107 S 4.3369 8.4912 113.9138 58.5645 63.0920 174.0465 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 M 8.30 4.38 0.00 2.13 2.13 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 2.45 2.48 0.00 2 A 8.54 4.20 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 3 T 9.52 4.57 4.11 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 1.00 0.00 0.00 4 V 8.33 4.54 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 0.79 0.00 0.00 0.92 0.00 0.00 5 H 9.44 4.86 0.00 3.54 3.68 0.00 5.86 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.86 4.47 0.00 1.87 1.81 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 7 V 7.66 2.00 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 0.00 0.00 0.16 0.00 0.00 -0.73 0.00 0.00 8 G 5.93 3.78 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 0.00 0.00 0.00 9 D 7.99 4.15 0.00 2.96 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.86 4.22 0.00 3.98 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 11 T 7.94 3.89 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 1.00 0.00 0.00 12 G 7.57 3.78 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 0.00 0.00 0.00 13 W 8.64 4.87 0.00 3.23 3.29 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 14 T 8.15 4.27 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 1.14 0.00 0.00 15 T 7.96 4.46 4.14 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 0.00 0.00 0.00 1.09 0.00 0.00 16 L 8.03 4.04 0.00 1.54 1.69 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.23 4.60 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 0.80 0.00 0.00 0.96 0.00 0.00 18 P 0.00 4.40 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 19 Y 8.12 4.35 0.00 2.84 2.37 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 20 D 7.70 4.72 0.00 2.58 2.33 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 21 Y 8.41 4.59 0.00 3.62 3.42 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 22 A 8.37 4.27 1.50 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 23 K 8.76 4.06 0.00 1.91 1.85 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.79 7.81 24 W 8.09 4.10 0.00 3.60 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 4.06 1.73 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 0.00 0.00 26 S 8.10 4.13 0.00 4.01 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 27 S 7.47 4.29 0.00 3.94 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 28 N 6.87 4.51 0.00 1.82 1.42 0.00 0.00 6.72 7.21 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 29 K 7.63 4.18 0.00 1.35 1.46 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.24 7.81 30 F 8.31 4.77 0.00 3.24 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 31 H 9.38 5.73 0.00 3.09 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.99 3.87 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 0.81 0.00 0.00 1.03 0.00 0.00 33 G 9.16 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 34 D 8.23 5.01 0.00 2.84 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 35 S 8.99 5.04 0.00 3.91 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 36 L 8.93 5.19 0.00 1.38 1.16 0.55 0.43 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 L 8.61 5.07 0.00 1.67 1.42 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.26 4.59 0.00 2.85 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 39 N 8.48 5.47 0.00 2.69 2.74 0.00 0.00 6.66 7.48 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 40 Y 8.17 4.97 0.00 3.30 3.45 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 41 N 8.83 4.58 0.00 2.80 2.92 0.00 0.00 6.63 6.71 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 42 N 8.76 5.29 0.00 3.16 2.94 0.00 0.00 6.25 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 43 K 8.69 4.40 0.00 2.12 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.60 7.81 44 F 8.60 4.43 0.00 3.00 2.75 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 45 H 8.18 5.12 0.00 3.04 3.12 0.00 5.69 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 46 N 8.18 5.03 0.00 2.96 2.96 0.00 0.00 5.32 7.68 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 47 V 8.85 4.47 1.77 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 -0.21 0.00 0.00 -0.02 0.00 0.00 48 L 9.06 5.29 0.00 1.74 1.57 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.17 4.68 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 50 V 8.28 4.89 2.30 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 0.81 0.00 0.00 1.09 0.00 0.00 51 D 8.78 4.72 0.00 2.83 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 52 Q 8.25 2.59 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 53 E 8.02 3.89 0.00 2.15 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 0.00 2.37 2.36 0.00 54 Q 8.86 3.98 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 55 F 8.35 4.13 0.00 2.92 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 56 K 8.19 3.94 0.00 1.89 1.86 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.74 7.81 57 S 7.68 4.50 0.00 4.02 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 58 C 7.59 4.00 0.00 3.10 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 59 N 8.39 4.63 0.00 2.63 2.73 0.00 0.00 6.87 8.16 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 60 S 8.52 4.78 0.00 4.00 3.91 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 61 S 8.55 4.28 0.00 3.98 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 62 S 7.50 4.62 0.00 3.78 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 63 P 0.00 4.50 0.00 2.40 2.05 0.00 3.81 0.00 0.00 3.84 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 64 A 8.89 4.33 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 65 A 7.71 4.72 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 66 S 7.94 5.06 0.00 3.76 3.71 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 67 Y 9.25 4.87 0.00 2.86 3.12 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 0.00 0.00 0.00 68 T 8.70 5.28 4.35 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 1.27 0.00 0.00 69 S 8.80 4.21 0.00 4.00 4.08 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 0.00 0.00 0.00 70 G 9.50 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 0.00 0.00 0.00 71 A 7.34 4.84 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.44 4.44 0.00 2.59 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 73 S 8.63 5.04 0.00 3.84 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 74 I 8.65 4.46 1.52 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.69 0.00 0.00 75 P 0.00 4.56 0.00 2.04 2.03 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 76 L 8.57 4.50 0.00 1.67 1.47 0.90 0.55 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 77 K 8.27 4.42 0.00 1.87 1.92 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.46 7.81 78 R 7.50 4.78 0.00 1.95 1.92 0.00 3.27 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 79 P 0.00 4.56 0.00 2.08 2.04 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 80 G 7.56 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 81 T 7.39 4.68 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 0.46 0.00 0.00 82 F 8.74 4.61 0.00 2.94 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 83 Y 8.03 4.93 0.00 2.92 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 84 F 9.35 5.67 0.00 3.04 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 85 L 9.04 5.37 0.00 1.88 1.97 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.20 5.07 0.00 2.99 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 87 G 8.91 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.54 3.61 1.22 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.73 0.00 0.00 89 P 0.00 4.26 0.00 2.01 2.04 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 90 G 8.54 4.09 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 0.00 0.00 0.00 91 H 8.45 4.28 0.00 3.26 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.31 4.40 0.00 3.15 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 93 Q 7.41 3.70 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 94 L 7.40 4.33 0.00 1.79 1.67 0.90 0.93 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 95 G 8.04 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 96 Q 7.86 4.07 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 97 K 7.84 5.60 0.00 1.97 1.77 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.52 7.81 98 V 10.04 5.01 2.50 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 0.98 0.00 0.00 1.44 0.00 0.00 99 E 9.22 4.62 0.00 1.77 1.93 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 1.99 1.62 0.00 100 I 8.69 4.13 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 -0.07 0.00 0.00 101 K 8.66 4.54 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 102 V 9.01 4.29 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 1.11 0.00 0.00 1.08 0.00 0.00 103 D 8.81 4.71 0.00 2.90 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 0.00 104 P 0.00 4.46 0.00 2.19 2.06 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 105 G 8.68 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 0.00 0.00 0.00 106 S 7.68 4.80 0.00 3.94 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 0.00 107 S 8.49 4.34 0.00 3.99 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