NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4318 8.2893 120.3488 55.4949 33.3638 174.1969 2 E 4.8067 8.2553 122.1754 54.7043 33.3257 172.6831 3 A 4.5479 9.8644 123.0036 50.3535 22.6534 177.6546 4 K 4.3442 8.7517 122.0298 56.3797 33.6231 175.0159 5 A 4.3977 8.2220 120.6883 48.4171 20.3300 172.4233 6 I 3.2874 8.2159 126.7687 59.7986 37.2309 173.2080 7 A 4.6267 8.8172 129.1910 50.2994 20.3864 175.5740 8 R 4.1880 8.3595 122.1270 56.1135 30.6162 175.6128 9 Y 3.5682 7.8478 115.8358 59.4144 34.8759 171.9833 10 V 3.5092 8.2431 120.6192 63.5210 31.9884 175.9522 11 R 4.0208 7.3306 115.8710 57.7045 28.4901 175.0066 12 I 4.5613 6.7785 114.3993 58.3254 41.2729 173.6913 13 S 4.5687 8.4392 117.9207 57.0176 62.5993 172.2423 14 P 3.9157 0.0000 0.0000 66.1796 30.8962 177.8538 15 R 4.0035 7.9629 119.7132 59.9213 30.3311 178.7534 16 K 4.0997 8.1730 118.1075 59.4493 32.1523 179.3078 17 V 3.6397 7.7646 117.7306 66.1848 31.5049 177.8142 18 R 3.9423 8.4238 118.1639 59.5758 29.7180 178.5008 19 L 3.9424 7.4457 116.8217 58.2370 41.9863 179.7123 20 V 3.9289 8.2893 111.8417 63.8755 31.8313 178.5653 21 V 3.7254 7.8697 117.5172 66.3846 31.3793 177.6592 22 D 4.4609 8.8841 118.5544 56.8307 40.3835 178.3282 23 L 4.1885 8.2777 120.9930 56.8157 42.1984 177.2367 24 I 4.4408 7.4598 110.0308 59.9038 38.3606 175.1179 25 R 3.8157 7.4989 121.6396 58.0357 30.1364 176.4275 26 G 4.0260 8.5758 112.3245 46.1220 0.0000 173.2274 27 K 4.6593 7.5333 119.1503 53.8676 34.4114 176.1381 28 S 4.4750 8.5464 115.9836 58.8735 64.0648 175.0709 29 L 3.8466 8.5268 127.2058 59.1025 42.1234 178.1584 30 E 3.4810 8.7272 114.6934 59.7973 28.8694 178.0226 31 E 3.8904 8.8046 118.2100 59.6220 30.2415 178.8206 32 A 4.0920 8.1675 120.6148 55.5940 18.2805 179.8743 33 R 3.8661 8.0530 115.9208 59.4868 29.9588 178.8838 34 N 4.5678 8.1636 114.2271 56.6980 39.0664 176.6632 35 I 3.8306 8.8709 121.5722 64.9736 37.3117 178.1047 36 L 3.9770 8.8326 119.4324 58.0222 41.3760 179.4793 37 R 3.7866 8.2026 118.0170 59.0544 29.8992 176.6220 38 Y 4.5598 7.4913 112.2798 57.7836 38.6960 175.3490 39 T 4.2636 7.8053 118.0863 63.1551 68.8632 174.6575 40 N 4.8579 8.6337 127.9042 54.0440 40.4921 175.7700 41 K 4.6025 7.3642 120.5680 55.8400 31.2543 176.3879 42 R 4.5979 8.7058 129.3944 57.1222 36.4271 176.0101 43 G 3.9770 8.1732 103.6855 47.3164 0.0000 174.0145 44 A 3.9393 8.6363 121.7530 55.9610 18.0433 178.7058 45 Y 3.9234 8.0797 112.1993 60.2563 39.3750 178.8995 46 F 4.1727 7.7331 117.5377 61.0418 39.2985 178.1408 47 V 3.6157 8.5946 117.4518 66.5937 31.2058 176.8500 48 A 3.8576 8.8641 118.9979 55.2279 17.9682 179.7757 49 K 4.3492 8.3374 115.7135 58.9353 32.9509 179.4196 50 V 3.6567 7.8128 119.6240 64.4702 31.3494 177.7823 51 L 3.8693 8.6269 122.0207 58.1439 41.8960 178.4600 52 E 3.8970 8.9884 119.3589 59.6658 29.4429 179.1047 53 S 4.0471 8.6379 112.6955 61.6210 62.4435 175.9876 54 A 4.0972 8.4449 123.2648 55.3421 17.9088 179.1703 55 A 3.8914 8.3000 119.0894 56.1470 18.2901 178.8145 56 A 3.7712 8.7047 116.7069 55.4578 18.0875 180.4459 57 N 3.8707 8.2308 112.3249 55.6453 39.2480 176.3722 58 A 3.8163 8.8061 120.3126 54.5160 18.5983 180.6522 59 V 3.2717 8.9208 108.0635 67.1704 31.6180 179.6473 60 N 3.6169 5.7700 110.4341 54.9549 39.9460 175.2307 61 N 4.5958 8.6314 118.5031 54.5738 39.4489 175.8804 62 H 4.7914 8.1383 114.3216 56.2094 30.5609 174.9377 63 D 4.3552 7.3399 114.9270 55.1272 37.5795 173.1896 64 M 4.4527 7.9632 126.4347 54.4158 34.7758 174.0587 65 L 3.6617 8.0161 121.8545 54.9524 39.4407 173.6474 66 E 3.6003 8.2468 122.7493 59.3139 30.6380 179.7491 67 D 4.3902 7.3345 120.3482 57.3102 41.6700 178.6400 68 R 4.5740 8.1757 117.1232 55.6270 30.4143 175.3878 69 L 5.5849 8.0662 118.5631 54.4143 44.2173 175.0698 70 Y 5.1885 9.1294 117.6396 56.1489 42.3304 174.2237 71 V 3.5162 8.2109 118.8083 61.2915 30.5790 176.5399 72 K 3.2832 7.6962 126.3930 58.6618 31.8543 175.8087 73 A 4.7365 7.3967 118.1198 50.6927 23.2484 173.3811 74 A 5.0146 7.8124 119.5191 50.6785 23.0481 175.3592 75 Y 4.9188 8.5819 117.0169 56.8326 41.4641 172.7547 76 V 4.8117 8.6707 123.8300 60.1949 33.6603 174.7872 77 D 4.9648 8.4415 122.3468 52.1403 44.5168 175.1324 78 E 4.2900 8.6229 121.5062 56.1900 30.4542 175.8850 79 G 4.1986 8.6589 112.0589 42.1544 0.0000 170.5878 80 P 4.1073 0.0000 0.0000 61.4834 30.9276 175.9050 81 A 4.1857 8.5129 125.0615 52.0382 19.6866 176.6619 82 L 4.5764 8.7036 119.3042 52.8839 44.0787 176.0511 83 K 4.6248 8.5886 124.2606 55.7355 32.9884 176.9178 84 R 4.7307 9.2056 124.3175 54.1049 33.8321 175.3299 85 V 4.3273 8.3900 122.4802 62.8224 32.8177 175.5502 86 L 4.7534 9.3387 130.0442 52.0354 43.3683 173.6313 87 P 4.7408 0.0000 0.0000 62.9307 32.1506 175.2889 88 R 4.7640 8.2490 119.9290 54.4173 33.9837 174.1403 89 A 4.0499 8.7652 124.2956 52.9862 19.1223 177.3000 90 R 3.6450 9.4675 116.0405 57.4416 27.6828 177.2438 91 G 3.8747 8.1668 100.2915 46.4016 0.0000 174.9525 92 R 3.6458 7.1509 119.7250 53.9529 30.4886 173.5598 93 A 3.8293 8.1928 132.3208 52.3416 17.1208 176.8396 94 D 5.1326 8.7951 121.6963 53.1092 44.9604 176.0400 95 I 4.5205 8.1608 114.1234 59.3733 38.5183 174.5827 96 I 4.1432 8.5063 129.7612 60.4312 39.2481 174.3044 97 K 4.8781 8.5707 128.6988 55.3123 34.4171 175.9548 98 K 4.3597 9.1741 125.7573 55.2922 32.7030 176.7127 99 R 4.6732 8.5266 124.5234 55.8753 31.3575 176.1746 100 T 4.8675 8.3292 110.2179 60.1878 72.3804 172.9424 101 S 4.9584 8.1308 118.7062 57.3243 66.8643 173.0750 102 H 5.6505 8.8036 118.8478 53.1653 30.3340 172.4375 103 I 4.2948 7.9848 124.1750 61.0157 38.7063 174.9400 104 T 4.9451 8.9367 123.2309 61.7183 72.0421 172.9459 105 V 4.6902 8.5331 126.1110 60.8556 34.3578 173.9853 106 I 4.7723 8.7207 121.3538 59.0513 40.6487 174.3347 107 L 4.7763 8.7544 124.7803 53.0065 44.9098 175.5879 108 G 4.4361 7.9390 107.7161 44.6943 0.0000 171.0163 109 E 5.0907 8.7584 118.1261 54.9817 31.9840 176.5167 110 K 3.9581 8.9288 122.5226 57.6384 33.0179 176.4224 111 H 4.9773 7.1881 112.6769 53.9992 31.8973 173.5295 112 G 4.2778 7.9665 106.4017 46.1892 0.0000 174.3644 113 K 4.1818 8.4002 125.6400 55.0747 31.8221 177.3685 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 8.29 4.43 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 2 E 8.26 4.81 0.00 2.08 1.79 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 2.12 2.31 0.00 3 A 9.86 4.55 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 4 K 8.75 4.34 0.00 1.65 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 A 8.22 4.40 1.23 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 0.00 0.00 6 I 8.22 3.29 1.85 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 1.38 0.47 0.84 0.00 0.00 7 A 8.82 4.63 1.19 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 0.00 0.00 8 R 8.36 4.19 0.00 1.88 0.94 0.00 3.35 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.52 0.00 9 Y 7.85 3.57 0.00 3.27 3.05 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 10 V 8.24 3.51 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 -0.07 0.00 0.00 0.86 0.00 0.00 11 R 7.33 4.02 0.00 2.09 1.97 0.00 3.43 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 12 I 6.78 4.56 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.83 0.00 0.00 13 S 8.44 4.57 0.00 3.89 3.72 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 14 P 0.00 3.92 0.00 2.16 1.95 0.00 3.65 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 2.23 2.12 0.00 15 R 7.96 4.00 0.00 1.79 2.00 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 16 K 8.17 4.10 0.00 2.17 1.88 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 V 7.76 3.64 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 0.97 0.00 0.00 1.05 0.00 0.00 18 R 8.42 3.94 0.00 1.86 2.01 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 19 L 7.45 3.94 0.00 1.83 1.79 1.00 1.21 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 20 V 8.29 3.93 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 0.77 0.00 0.00 1.08 0.00 0.00 21 V 7.87 3.73 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 1.11 0.00 0.00 1.02 0.00 0.00 22 D 8.88 4.46 0.00 2.89 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 23 L 8.28 4.19 0.00 1.63 1.71 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.46 4.44 1.89 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 1.20 1.11 0.94 0.00 0.00 25 R 7.50 3.82 0.00 1.91 1.90 0.00 3.34 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 26 G 8.58 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 0.00 0.00 0.00 27 K 7.53 4.66 0.00 1.81 1.99 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.50 7.81 28 S 8.55 4.48 0.00 4.08 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 29 L 8.53 3.85 0.00 1.69 1.86 0.93 1.25 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 30 E 8.73 3.48 0.00 2.10 1.82 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 2.41 2.43 0.00 31 E 8.80 3.89 0.00 2.14 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 2.35 2.39 0.00 32 A 8.17 4.09 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 33 R 8.05 3.87 0.00 1.91 2.01 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 34 N 8.16 4.57 0.00 2.88 2.98 0.00 0.00 6.87 7.45 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 35 I 8.87 3.83 2.09 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 1.56 1.29 0.95 0.00 0.00 36 L 8.83 3.98 0.00 1.82 1.73 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.20 3.79 0.00 1.95 2.29 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.00 38 Y 7.49 4.56 0.00 3.06 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 39 T 7.81 4.26 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 1.27 0.00 0.00 40 N 8.63 4.86 0.00 2.69 2.81 0.00 0.00 7.15 6.68 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 41 K 7.36 4.60 0.00 1.80 0.84 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 42 R 8.71 4.60 0.00 1.80 1.88 0.00 3.24 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 43 G 8.17 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 A 8.64 3.94 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 45 Y 8.08 3.92 0.00 2.81 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 46 F 7.73 4.17 0.00 3.16 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 47 V 8.59 3.62 2.15 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 1.03 0.00 0.00 1.09 0.00 0.00 48 A 8.86 3.86 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 49 K 8.34 4.35 0.00 1.58 1.80 0.00 0.91 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 50 V 7.81 3.66 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 0.87 0.00 0.00 0.93 0.00 0.00 51 L 8.63 3.87 0.00 1.78 1.90 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.99 3.90 0.00 2.17 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 2.32 2.37 0.00 53 S 8.64 4.05 0.00 3.82 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 54 A 8.44 4.10 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 55 A 8.30 3.89 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 56 A 8.70 3.77 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 57 N 8.23 3.87 0.00 3.04 2.87 0.00 0.00 7.06 7.94 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 58 A 8.81 3.82 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 59 V 8.92 3.27 2.21 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 1.02 0.00 0.00 0.97 0.00 0.00 60 N 5.77 3.62 0.00 3.03 2.69 0.00 0.00 7.10 7.88 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 61 N 8.63 4.60 0.00 2.45 2.58 0.00 0.00 6.96 7.90 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 62 H 8.14 4.79 0.00 3.30 3.22 0.00 5.68 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.34 4.36 0.00 2.90 3.08 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 64 M 7.96 4.45 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 65 L 8.02 3.66 0.00 1.81 1.90 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.25 3.60 0.00 2.05 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 2.40 2.40 0.00 67 D 7.33 4.39 0.00 2.72 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 68 R 8.18 4.57 0.00 1.87 1.88 0.00 3.00 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 69 L 8.07 5.58 0.00 1.94 1.87 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.13 5.19 0.00 3.11 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 71 V 8.21 3.52 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 0.82 0.00 0.00 1.03 0.00 0.00 72 K 7.70 3.28 0.00 1.35 1.66 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.35 7.81 73 A 7.40 4.74 0.96 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 74 A 7.81 5.01 1.19 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 0.00 0.00 75 Y 8.58 4.92 0.00 2.92 2.96 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 76 V 8.67 4.81 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 0.88 0.00 0.00 77 D 8.44 4.96 0.00 2.36 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 78 E 8.62 4.29 0.00 1.88 1.75 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 2.23 2.29 0.00 79 G 8.66 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 0.00 0.00 0.00 0.00 80 P 0.00 4.11 0.00 2.26 2.19 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 81 A 8.51 4.19 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 82 L 8.70 4.58 0.00 1.85 1.60 0.99 0.89 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 83 K 8.59 4.62 0.00 1.64 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 84 R 9.21 4.73 0.00 1.82 1.77 0.00 3.17 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 85 V 8.39 4.33 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 0.75 0.00 0.00 0.93 0.00 0.00 86 L 9.34 4.75 0.00 1.71 1.49 0.92 0.07 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 87 P 0.00 4.74 0.00 2.11 2.04 0.00 3.79 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 1.99 1.97 0.00 88 R 8.25 4.76 0.00 1.94 1.81 0.00 3.30 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 89 A 8.77 4.05 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 90 R 9.47 3.65 0.00 1.88 1.94 0.00 3.33 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 91 G 8.17 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 92 R 7.15 3.65 0.00 2.11 1.83 0.00 3.29 0.00 0.00 3.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 93 A 8.19 3.83 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 94 D 8.80 5.13 0.00 2.69 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 95 I 8.16 4.52 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 0.62 0.91 0.00 0.00 96 I 8.51 4.14 1.87 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 1.29 0.80 0.98 0.00 0.00 97 K 8.57 4.88 0.00 1.78 1.79 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.44 7.81 98 K 9.17 4.36 0.00 1.69 1.82 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.51 7.81 99 R 8.53 4.67 0.00 1.68 1.94 0.00 3.13 0.00 0.00 3.52 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 100 T 8.33 4.87 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 0.00 101 S 8.13 4.96 0.00 3.75 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 0.00 102 H 8.80 5.65 0.00 2.81 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.98 4.29 1.86 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 1.36 0.50 0.94 0.00 0.00 104 T 8.94 4.95 5.11 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 1.40 0.00 0.00 105 V 8.53 4.69 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 1.00 0.00 0.00 0.97 0.00 0.00 106 I 8.72 4.77 1.77 0.00 0.00 0.59 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 1.08 0.79 0.00 0.00 107 L 8.75 4.78 0.00 1.72 1.51 0.86 0.69 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 0.00 108 G 7.94 4.44 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 0.00 0.00 0.00 109 E 8.76 5.09 0.00 1.97 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 0.00 2.35 2.32 0.00 110 K 8.93 3.96 0.00 1.48 1.69 0.00 1.05 0.00 0.00 0.92 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.28 7.81 111 H 7.19 4.98 0.00 3.19 3.16 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.97 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 0.00 0.00 0.00 0.00 113 K 8.40 4.18 0.00 1.79 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81