NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2010 8.3001 120.3306 53.9297 34.2459 174.6508 2 A 3.6027 7.9051 119.4747 53.5721 16.2706 175.8533 3 T 4.0857 8.0176 118.8405 64.1623 71.0758 173.1619 4 L 4.5815 8.1793 128.3110 53.7790 43.0188 175.2166 5 L 4.7895 8.7349 128.1643 53.1131 45.9280 175.0350 6 Q 4.5733 8.8633 123.8818 55.4046 30.5805 175.2627 7 L 4.8693 9.4257 126.9810 54.8604 44.5785 173.6838 8 H 5.1800 9.2810 121.4600 54.5277 32.5796 172.2290 9 F 5.1537 8.1109 113.7103 55.2917 41.8189 173.3035 10 A 4.6494 8.6875 120.6436 51.8387 18.9218 177.2777 11 F 4.3174 8.9503 123.3024 58.4185 40.6697 174.4249 12 N 4.1273 6.8673 116.6229 54.8842 36.7686 175.4962 13 G 3.6793 7.5973 105.3399 46.0496 0.0000 174.1559 14 P 4.4811 0.0000 0.0000 60.2919 33.6675 176.3312 15 F 4.1703 8.1578 116.0506 59.2999 39.3857 176.0382 16 G 4.0209 8.4310 115.6674 46.2444 0.0000 174.9106 17 D 4.6342 8.1069 121.0406 56.6032 41.0358 178.3589 18 A 4.3220 8.2324 121.0649 54.9764 18.4422 178.0149 19 M 4.3584 8.5897 115.2141 57.4297 33.0537 178.3424 20 A 4.1595 8.2771 120.1245 54.8343 19.2118 177.2574 21 E 4.5027 7.9982 113.7452 58.1941 31.8080 177.2744 22 Q 4.3212 8.6728 115.8688 57.0481 29.1915 177.9461 23 L 4.0895 7.8945 121.0331 57.4436 42.6877 178.1632 24 K 3.8712 7.9069 118.8099 58.8067 32.0281 175.6913 25 P 4.6250 0.0000 0.0000 63.3393 32.1945 176.4151 26 L 4.6118 7.4641 117.1455 53.9581 42.8333 177.6609 27 A 4.0712 8.0396 122.6442 55.5130 18.3127 179.6315 28 E 4.1789 8.2832 114.7125 58.7532 29.4601 178.7779 29 S 4.3576 7.6735 114.9678 60.4372 63.9699 176.0067 30 I 3.8527 8.1146 114.7168 64.3094 37.6007 177.5944 31 N 4.4507 8.1335 118.2098 52.7786 38.3779 176.6674 32 Q 4.5964 8.3681 118.0597 56.4339 27.6680 172.0100 33 E 5.0002 7.4332 113.9425 54.0819 31.4421 174.0620 34 P 4.2464 0.0000 0.0000 64.4982 32.6370 176.4071 35 G 4.0952 8.3894 111.2571 45.4733 0.0000 174.6890 36 F 3.9517 8.0802 121.3401 57.3069 37.1558 176.3204 37 L 4.4436 7.9382 117.7040 56.4041 42.0402 176.4490 38 W 5.0402 7.2657 110.7131 55.8925 30.8107 172.0209 39 K 4.1077 8.8402 119.0030 54.2120 34.7619 175.0927 40 V 3.6439 7.3728 120.2918 60.1962 32.1151 177.0562 41 W 4.9192 7.6660 125.8020 55.9138 27.6053 175.8315 42 T 4.8258 7.1373 114.2611 62.7901 72.7229 174.4505 43 E 4.7674 8.5801 123.3430 55.7060 33.0386 175.4290 44 S 4.3925 8.7744 123.4012 57.1055 65.5757 174.4742 45 E 2.9168 8.3437 124.0961 58.4334 29.6503 180.1024 46 K 3.8718 7.7941 117.5930 58.9760 32.6586 177.0086 47 N 4.5361 7.8114 115.7673 53.2508 39.6917 173.8661 48 H 4.0844 7.9251 114.4214 56.5393 26.8732 173.7866 49 E 5.0629 8.1517 117.4597 54.7430 33.1078 173.7128 50 A 4.4427 9.8306 127.4458 51.1628 21.3530 175.6564 51 G 4.5728 6.3630 106.3032 44.1103 0.0000 173.1866 52 G 3.8414 7.9597 111.4557 45.5000 0.0000 174.2081 53 I 5.2568 8.2990 126.2644 59.5301 40.6274 173.4783 54 Y 3.5254 8.5899 124.0300 55.1767 42.3904 173.4807 55 L 4.5948 5.6985 119.1482 54.0753 43.1791 176.0348 56 F 5.0005 9.0892 126.1654 56.1547 41.9839 175.6741 57 T 3.7239 7.3009 119.0684 64.8389 67.8276 172.9622 58 D 4.8920 7.4662 118.0380 52.1930 41.4469 176.8273 59 E 4.0594 8.0954 118.7079 58.8630 28.0584 179.2897 60 K 3.9321 7.8567 118.4935 60.1719 32.5586 179.0288 61 S 4.2832 9.3228 114.8171 60.4231 61.7308 175.7599 62 A 3.0870 7.3327 122.9540 54.9487 17.8873 179.6936 63 L 3.9707 7.4705 115.7105 58.5880 40.6996 178.8599 64 A 4.2255 7.5484 120.4093 54.8892 18.5610 178.3930 65 Y 4.3015 8.4532 114.1929 59.0846 38.1300 177.6931 66 L 4.0967 7.6407 121.2003 58.7892 40.5888 178.7885 67 E 4.1842 8.0894 119.7712 58.1757 29.2647 178.7164 68 K 3.7266 7.6665 118.9094 59.7559 32.6744 178.0411 69 H 4.2636 7.9614 115.7891 59.3305 28.6319 177.8064 70 T 3.7169 8.4235 117.5581 66.7396 68.0505 176.2392 71 A 3.5129 8.1271 121.7855 54.7269 18.5142 179.6074 72 R 4.0567 7.8707 116.9208 58.9832 30.4903 178.8737 73 L 4.0579 7.5648 118.9265 58.0470 40.5130 178.9631 74 K 3.8889 8.5131 120.1295 59.4022 32.4756 178.5524 75 N 4.4446 7.9305 117.5149 55.7061 39.3616 175.3522 76 L 4.6757 7.8540 116.3826 54.9480 43.6766 177.0220 77 G 3.9739 8.5835 109.0268 45.2038 0.0000 174.3913 78 V 4.2994 8.4419 116.8713 61.1079 34.1044 176.7242 79 E 4.4650 8.1817 117.4407 55.4602 32.7967 176.1925 80 E 4.6395 8.0603 119.5738 55.2569 34.5823 174.7425 81 V 4.1520 8.5470 121.3827 62.6333 32.7205 175.6883 82 V 4.2084 9.1950 128.3509 61.6424 32.5040 174.5376 83 A 5.6204 8.2904 129.2964 49.5193 21.6656 174.8517 84 K 4.6708 8.6251 120.4638 54.8069 37.5653 175.3308 85 V 4.5041 8.3314 121.0941 61.3112 33.4694 175.0658 86 F 4.8734 8.2611 123.2874 55.2459 40.2527 173.7895 87 D 4.8435 8.4208 118.4027 52.1988 44.1068 174.8053 88 V 3.9099 8.3233 123.1882 62.2820 31.8785 175.5193 89 N 4.7506 8.5222 126.9513 51.8479 38.1496 174.7314 90 E 4.0340 8.5522 126.1012 58.2739 30.5117 177.6862 91 P 4.1946 0.0000 0.0000 65.9198 31.3598 177.3820 92 L 4.4538 7.6103 116.5007 54.6984 41.6375 178.3840 93 S 4.3711 8.2058 115.7941 60.2071 63.0911 175.8993 94 Q 4.0063 7.7289 123.0898 58.9766 28.5514 177.1097 95 I 4.2946 7.2890 117.2651 61.5197 37.5738 176.3589 96 N 4.6819 8.0117 120.2222 55.1529 38.8825 175.9167 97 Q 4.4928 7.5074 116.5432 56.3263 28.2356 177.0041 98 A 4.3815 7.7174 121.2794 53.9702 19.6431 179.8485 99 K 4.2139 7.7848 113.5891 58.3618 32.8361 178.3039 100 L 4.4000 7.8676 116.8212 54.7184 41.9125 176.3485 101 A 4.3268 7.5187 127.4441 52.3303 19.0564 177.7789 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 4.20 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 2 A 7.91 3.60 1.41 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 0.00 0.00 3 T 8.02 4.09 4.33 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 1.10 0.00 0.00 4 L 8.18 4.58 0.00 1.51 1.19 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.73 4.79 0.00 1.38 1.09 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.86 4.57 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 7 L 9.43 4.87 0.00 1.47 1.68 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.28 5.18 0.00 3.09 3.32 0.00 5.30 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 9 F 8.11 5.15 0.00 3.05 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 10 A 8.69 4.65 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 11 F 8.95 4.32 0.00 2.97 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 12 N 6.87 4.13 0.00 2.93 2.94 0.00 0.00 7.29 7.99 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 13 G 7.60 3.68 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 0.00 0.00 0.00 14 P 0.00 4.48 0.00 2.18 2.16 0.00 3.66 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 1.99 2.09 0.00 15 F 8.16 4.17 0.00 3.06 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 16 G 8.43 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 17 D 8.11 4.63 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 18 A 8.23 4.32 1.35 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 0.00 0.00 19 M 8.59 4.36 0.00 2.09 2.30 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 2.77 0.00 20 A 8.28 4.16 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 0.00 0.00 0.00 0.00 0.00 21 E 8.00 4.50 0.00 1.93 1.90 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 2.22 2.27 0.00 22 Q 8.67 4.32 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 23 L 7.89 4.09 0.00 2.00 1.76 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.91 3.87 0.00 1.83 2.04 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 25 P 0.00 4.62 0.00 2.22 2.16 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 26 L 7.46 4.61 0.00 1.94 1.71 1.02 0.75 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 27 A 8.04 4.07 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 0.00 0.00 0.00 0.00 0.00 28 E 8.28 4.18 0.00 2.20 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 2.36 2.40 0.00 29 S 7.67 4.36 0.00 3.98 3.94 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 30 I 8.11 3.85 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.60 0.93 0.00 0.00 31 N 8.13 4.45 0.00 3.07 2.85 0.00 0.00 7.17 7.41 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 32 Q 8.37 4.60 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 33 E 7.43 5.00 0.00 2.56 2.18 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 2.13 2.34 0.00 34 P 0.00 4.25 0.00 1.87 2.01 0.00 4.02 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 35 G 8.39 4.10 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 0.00 0.00 0.00 36 F 8.08 3.95 0.00 3.01 3.25 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 37 L 7.94 4.44 0.00 1.85 2.04 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.27 5.04 0.00 3.81 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 39 K 8.84 4.11 0.00 1.73 1.78 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.27 7.81 40 V 7.37 3.64 1.71 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 0.76 0.00 0.00 0.85 0.00 0.00 41 W 7.67 4.92 0.00 3.55 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 42 T 7.14 4.83 4.10 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 1.20 0.00 0.00 43 E 8.58 4.77 0.00 1.99 1.80 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 2.17 2.50 0.00 44 S 8.77 4.39 0.00 3.82 3.64 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 45 E 8.34 2.92 0.00 1.72 1.43 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 2.13 2.10 0.00 46 K 7.79 3.87 0.00 1.85 1.93 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.34 7.81 47 N 7.81 4.54 0.00 2.65 2.95 0.00 0.00 6.98 8.01 0.00 0.00 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 H 7.93 4.08 0.00 3.44 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.15 5.06 0.00 1.99 1.71 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 2.20 2.43 0.00 50 A 9.83 4.44 1.17 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 0.00 0.00 51 G 6.36 4.57 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 0.00 52 G 7.96 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 0.00 0.00 0.00 53 I 8.30 5.26 1.93 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 1.37 1.02 1.03 0.00 0.00 54 Y 8.59 3.53 0.00 1.43 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 55 L 5.70 4.59 0.00 1.03 1.49 1.17 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.09 5.00 0.00 2.70 2.83 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 57 T 7.30 3.72 3.55 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 0.67 0.00 0.00 58 D 7.47 4.89 0.00 2.82 2.62 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 59 E 8.10 4.06 0.00 1.97 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 0.00 2.29 2.29 0.00 60 K 7.86 3.93 0.00 1.94 2.03 0.00 1.46 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.62 7.81 61 S 9.32 4.28 0.00 3.76 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 62 A 7.33 3.09 1.04 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 63 L 7.47 3.97 0.00 1.80 1.76 0.90 0.75 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 64 A 7.55 4.23 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 65 Y 8.45 4.30 0.00 2.98 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 66 L 7.64 4.10 0.00 1.94 1.89 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.09 4.18 0.00 1.99 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 2.26 2.27 0.00 68 K 7.67 3.73 0.00 1.42 1.75 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.64 7.81 69 H 7.96 4.26 0.00 3.25 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.42 3.72 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 1.15 0.00 0.00 71 A 8.13 3.51 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 72 R 7.87 4.06 0.00 1.99 1.87 0.00 3.10 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 1.61 0.00 73 L 7.56 4.06 0.00 1.70 1.59 0.82 -0.11 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 74 K 8.51 3.89 0.00 1.83 1.93 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.38 7.81 75 N 7.93 4.44 0.00 2.67 3.02 0.00 0.00 6.72 7.75 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 76 L 7.85 4.68 0.00 1.64 1.65 0.78 0.48 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 77 G 8.58 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 0.00 0.00 0.00 78 V 8.44 4.30 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 0.90 0.00 0.00 0.96 0.00 0.00 79 E 8.18 4.46 0.00 1.93 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 0.00 2.19 2.29 0.00 80 E 8.06 4.64 0.00 1.89 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 2.18 2.27 0.00 81 V 8.55 4.15 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 0.88 0.00 0.00 0.79 0.00 0.00 82 V 9.20 4.21 1.88 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 0.98 0.00 0.00 0.89 0.00 0.00 83 A 8.29 5.62 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 84 K 8.63 4.67 0.00 1.76 1.68 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 85 V 8.33 4.50 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 0.85 0.00 0.00 0.78 0.00 0.00 86 F 8.26 4.87 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.84 0.00 2.63 2.58 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 0.00 0.00 0.00 88 V 8.32 3.91 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 0.87 0.00 0.00 0.98 0.00 0.00 89 N 8.52 4.75 0.00 2.86 2.72 0.00 0.00 7.19 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 90 E 8.55 4.03 0.00 2.09 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 2.42 2.32 0.00 91 P 0.00 4.19 0.00 2.22 2.34 0.00 3.76 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 2.14 2.02 0.00 92 L 7.61 4.45 0.00 1.87 1.72 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.21 4.37 0.00 4.06 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 0.00 94 Q 7.73 4.01 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 95 I 7.29 4.29 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 1.41 0.57 0.91 0.00 0.00 96 N 8.01 4.68 0.00 2.78 3.00 0.00 0.00 7.25 7.19 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 97 Q 7.51 4.49 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 98 A 7.72 4.38 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 99 K 7.78 4.21 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.41 7.81 100 L 7.87 4.40 0.00 1.90 1.70 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.52 4.33 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