NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7810 8.3244 122.8251 57.5937 40.9754 174.4510 3 L 4.1448 7.7196 120.4146 52.7206 42.9511 175.1665 4 T 4.3358 9.3627 116.6638 60.3715 72.5627 175.5573 5 A 3.9054 8.2100 122.6852 55.3085 18.5402 179.4474 6 E 3.8417 8.1264 117.3094 59.2618 29.6004 178.9215 7 E 3.8743 7.7250 118.0190 59.3774 29.7012 179.0301 8 K 3.9244 8.1784 118.7442 59.4986 32.1769 179.5249 9 G 3.5564 8.2425 105.7840 47.7736 0.0000 175.6620 10 L 4.0220 7.6570 121.6014 57.4789 41.7020 179.6995 11 V 3.0351 8.0329 118.3782 66.0649 31.5097 177.7984 12 N 4.5602 8.7881 116.5435 56.0747 38.1953 177.5892 13 G 3.7326 7.7991 105.9761 48.0411 0.0000 175.1941 14 L 4.0158 8.1067 123.4020 57.3053 42.0158 178.7999 15 W 4.3287 8.8249 128.7201 60.2164 30.4915 177.9517 16 G 3.8326 8.2290 104.3206 46.4541 0.0000 173.9716 17 K 4.4876 7.5299 118.2841 55.9771 32.8865 176.7465 18 V 3.7253 7.5584 120.2119 62.6506 32.0910 176.6062 19 N 4.5759 8.0924 125.3321 51.7520 36.2638 175.4326 20 V 3.7270 7.8609 125.9511 64.6032 31.2195 177.9422 21 D 4.5622 8.0530 118.1539 56.5190 40.8675 177.0908 22 E 4.3269 7.6778 117.9032 58.2616 30.6556 177.9068 23 V 3.5212 8.1396 118.6144 65.7945 31.4128 178.1551 24 G 3.6498 7.6446 106.1182 47.7558 0.0000 175.6519 25 G 3.8471 8.1595 108.5552 47.4611 0.0000 175.2625 26 E 3.9033 8.3727 120.4527 59.1116 29.4730 179.2811 27 A 3.9529 8.2725 121.1966 55.0105 18.5959 179.4640 28 L 3.9369 8.0053 119.0127 58.1260 42.1903 179.1046 29 G 3.7317 7.9550 105.7202 48.2316 0.0000 175.7565 30 R 3.8956 7.9888 120.8825 58.4969 29.9822 178.8157 31 L 4.0608 8.1665 120.4039 58.4338 41.9736 179.1742 32 L 4.0413 7.8432 118.0377 57.0828 41.2646 179.5559 33 V 3.6266 7.3001 117.9697 65.7798 31.7225 177.8970 34 V 3.5448 7.9564 117.1107 64.4967 32.2316 175.6503 35 Y 3.9051 7.3235 117.9334 54.3754 37.8652 174.1237 36 P 4.4217 0.0000 0.0000 64.1852 31.6540 177.5414 37 W 4.4421 8.3355 115.6656 60.1748 27.8621 178.0625 38 T 4.3808 7.2330 110.0745 64.9720 67.7312 175.9171 39 Q 4.2059 8.2391 120.7939 59.1285 28.4679 178.8196 40 R 3.9672 7.9449 118.8227 59.3983 30.0585 178.0706 41 F 4.2132 7.9157 115.5157 58.4211 39.6557 175.4539 42 F 4.6424 8.2406 118.4350 56.7434 39.7136 177.0196 43 E 4.0965 8.1330 121.8709 59.1466 29.9059 179.6355 44 S 4.4819 8.1188 111.7351 60.1150 63.3442 174.8926 45 F 4.6006 7.9896 119.6535 58.0779 40.1385 175.7370 46 G 4.1073 7.2621 103.7467 44.1250 0.0000 175.7817 47 D 4.5364 8.8209 127.3809 54.0611 40.9120 175.3871 48 L 4.8879 8.3928 126.5687 54.5949 43.0041 178.0714 49 S 4.2811 8.3149 112.5366 59.4319 63.3760 173.9996 50 S 4.5433 7.5164 115.2475 56.2308 67.0199 175.4261 51 A 3.9163 8.4119 123.8128 55.4859 18.0720 179.2353 52 D 4.2930 8.2153 116.6339 57.7090 40.6760 178.9896 53 A 3.9882 7.6479 119.1818 55.4658 18.5952 179.4679 54 I 3.8324 7.9880 118.3704 64.8846 36.9749 178.6822 55 M 4.1758 8.4451 118.8918 57.4207 31.8982 177.9043 56 S 4.6323 7.9278 112.2687 57.2649 64.0507 173.6696 57 N 4.3750 7.5280 123.1140 53.3545 39.2171 175.2449 58 A 4.0029 8.7549 128.2787 55.1531 18.4430 179.3344 59 K 3.5566 8.2358 116.9768 59.3626 32.0475 179.6398 60 V 3.7408 7.9992 117.9108 66.0807 31.6048 177.9276 61 K 3.9158 8.0416 117.8777 59.4562 31.7757 179.2732 62 A 3.9616 7.9476 120.9194 55.5067 18.3912 179.2450 63 H 4.3853 8.4977 116.9890 59.2934 30.0275 177.7385 64 G 3.6322 8.5835 108.2534 47.3859 0.0000 175.8980 65 K 4.0237 8.0249 120.5754 59.3897 32.1248 179.4451 66 K 4.0073 7.8420 118.8207 59.6251 32.0784 179.5698 67 V 3.7547 7.9405 118.4493 65.9050 31.3268 177.8058 68 L 4.4666 8.1128 119.7645 58.0584 41.9718 178.4443 69 N 4.5014 8.7632 117.2652 56.3996 38.3657 177.3985 70 S 4.3586 8.3281 115.6716 61.2416 63.2542 176.5984 71 F 4.0753 8.4632 121.4020 60.4292 38.6437 177.5950 72 S 4.1230 8.8256 115.1801 61.9050 62.8389 176.5316 73 D 4.4207 8.3765 121.6042 57.1239 40.2515 179.0437 74 G 3.7945 8.0848 105.6939 47.8530 0.0000 175.3471 75 L 4.0180 7.4599 120.3746 57.4874 41.7433 179.6526 76 K 4.1173 7.8177 116.7116 58.2406 32.4925 177.2728 77 N 5.0491 7.7966 116.7576 52.7132 39.1390 176.5859 78 I 3.8903 7.8802 119.6955 63.7608 37.5175 177.0376 79 D 4.6770 7.9189 118.1197 54.8633 41.9066 176.0420 80 D 4.7717 7.9355 119.4866 52.1104 41.7777 176.0663 81 L 4.0952 8.0241 123.9220 58.1635 42.0593 179.1395 82 K 3.9409 8.2345 116.6246 59.6725 31.7026 179.1166 83 G 3.6581 8.1010 104.8280 47.8619 0.0000 175.5793 84 A 3.9492 7.9502 122.5076 53.9224 18.5178 178.7249 85 F 4.5306 8.2459 114.0329 57.1873 39.2782 177.6114 86 A 4.0432 7.5767 121.8926 55.3512 18.2400 180.4288 87 K 3.9197 7.9630 116.2998 59.7568 32.2584 179.5642 88 L 4.1615 7.9213 118.5244 57.3403 41.5754 179.4185 89 S 4.3602 8.4079 115.1304 60.9731 62.3980 175.5824 90 E 3.8787 8.1499 122.0278 59.1802 29.1858 178.5546 91 L 3.8971 8.0807 120.1119 58.6668 42.2769 178.6760 92 H 4.1232 8.2820 116.0742 59.2973 28.5610 177.0329 93 C 3.4940 7.9742 120.6405 62.2761 31.0824 175.3098 94 D 4.4581 8.2535 121.2269 56.1016 40.6126 177.4331 95 K 4.3413 8.0176 117.5273 57.0392 34.0745 177.0757 96 L 4.3542 7.6730 115.9478 54.2519 42.8301 175.8564 97 H 4.2040 7.3292 112.9796 56.7142 26.4390 175.0533 98 V 3.8291 7.9361 119.1000 61.3812 32.3475 174.8319 99 D 4.2503 8.7773 126.9545 53.9666 41.5682 175.1384 100 P 2.9700 0.0000 0.0000 64.4157 31.2942 178.0417 101 E 3.8320 8.1124 118.4832 59.7966 29.2938 179.1580 102 N 4.4319 7.8025 115.4314 55.9789 38.4306 177.3371 103 F 4.5136 7.3848 119.1487 60.8535 38.9730 177.8287 104 R 3.9959 7.8123 116.7376 59.0847 29.8874 179.0624 105 L 3.8634 7.7158 118.4122 57.7671 41.6640 179.2130 106 L 4.1912 8.2194 120.4059 57.9263 42.1497 179.0978 107 G 3.7608 8.5192 106.0889 48.0056 0.0000 175.3635 108 N 4.5615 8.4284 118.5534 55.5644 38.5180 177.8736 109 V 3.6553 7.8556 120.0402 65.6206 31.6548 177.6283 110 L 3.8242 7.9012 120.1987 58.1588 41.8073 178.9490 111 V 3.5151 7.6009 117.5966 66.4025 31.3706 177.6226 112 C 4.0445 8.0318 116.1640 62.9040 28.0040 176.3999 113 V 3.5215 8.0422 120.0049 65.9603 30.9665 177.9418 114 L 3.8098 8.2070 118.8127 57.7042 41.3342 179.4513 115 A 3.6347 7.6405 120.9665 55.2627 18.0758 179.2256 116 H 4.1276 8.1284 116.0336 59.5619 29.9664 177.0002 117 H 3.9256 8.0407 117.4039 57.8177 28.8498 176.7971 118 F 4.7343 7.7921 116.9682 55.8050 39.9603 177.6487 119 G 3.8134 8.4890 109.3023 46.5705 0.0000 177.2146 120 H 4.5425 8.7871 122.7970 57.6379 28.6159 176.0133 121 D 4.5226 8.1671 119.3490 57.0320 41.0992 177.2780 122 F 4.5818 8.2415 122.6297 56.3504 37.5927 174.6987 123 N 4.2715 7.9038 121.5107 52.6458 40.9496 173.2925 124 P 4.2672 0.0000 0.0000 66.0373 31.4946 179.1804 125 Q 3.9205 7.8693 116.2978 58.7780 28.7333 178.7002 126 V 3.5329 7.4712 118.7878 65.8356 31.6957 177.3098 127 Q 3.3512 7.6035 119.4876 59.3338 28.8431 178.6891 128 A 4.1462 8.0992 121.1521 55.0687 18.3777 179.4644 129 A 3.9602 7.9642 119.2293 55.2132 18.4170 179.8137 130 F 4.0733 8.3275 116.2170 60.2976 39.0403 178.0684 131 Q 4.1142 8.7627 118.5678 58.8192 28.4752 178.9240 132 K 3.9668 7.8701 118.9897 59.4084 32.0423 179.1860 133 V 3.5502 7.5803 118.3050 66.4735 31.2924 178.5053 134 V 3.8268 8.2766 111.8357 64.3124 31.3082 178.5224 135 A 4.0940 8.2640 120.7094 55.0655 18.1843 179.6976 136 G 3.6332 8.1772 104.3108 48.0858 0.0000 176.0454 137 V 3.0301 8.0431 120.8459 65.2892 31.5766 177.7784 138 A 3.8618 8.0733 120.7976 55.3763 17.9973 179.2668 139 N 4.2659 8.1788 113.5803 56.4357 39.0281 177.2563 140 A 4.1249 8.0787 122.1871 55.2185 18.0460 179.7490 141 L 3.9374 7.8813 117.1552 57.1203 41.0005 178.8883 142 A 4.3057 7.8171 119.5340 53.5758 18.5550 178.8383 143 H 4.1685 7.9065 116.7835 59.0835 30.0468 176.1203 144 K 4.4876 8.3480 116.2507 56.4927 31.8814 176.3246 145 Y 4.0972 7.8550 117.6189 58.1342 38.2911 175.6871 146 H 4.5479 8.3440 118.9853 55.8019 28.8348 173.0699 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 2 F 8.32 4.78 0.00 2.87 3.13 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 3 L 7.72 4.14 0.00 1.67 1.48 0.86 0.57 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 4 T 9.36 4.34 4.16 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 1.08 0.00 0.00 5 A 8.21 3.91 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 6 E 8.13 3.84 0.00 2.01 1.92 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 2.35 2.38 0.00 7 E 7.73 3.87 0.00 2.16 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 2.25 2.28 0.00 8 K 8.18 3.92 0.00 1.87 1.83 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.69 7.81 9 G 8.24 3.56 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 0.00 0.00 0.00 10 L 7.66 4.02 0.00 1.85 1.77 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.03 3.04 1.89 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 0.57 0.00 0.00 0.36 0.00 0.00 12 N 8.79 4.56 0.00 2.83 2.90 0.00 0.00 7.02 7.49 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 13 G 7.80 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 0.00 0.00 0.00 14 L 8.11 4.02 0.00 2.02 2.02 0.27 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.82 4.33 0.00 3.86 3.30 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 16 G 8.23 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 17 K 7.53 4.49 0.00 2.03 2.05 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81 18 V 7.56 3.73 1.20 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 0.05 0.00 0.00 0.56 0.00 0.00 19 N 8.09 4.58 0.00 2.67 2.57 0.00 0.00 6.88 7.71 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 20 V 7.86 3.73 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 0.83 0.00 0.00 1.02 0.00 0.00 21 D 8.05 4.56 0.00 2.87 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 22 E 7.68 4.33 0.00 1.97 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 2.49 2.30 0.00 23 V 8.14 3.52 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 0.80 0.00 0.00 0.59 0.00 0.00 24 G 7.64 3.65 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 0.00 0.00 0.00 25 G 8.16 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 26 E 8.37 3.90 0.00 2.21 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 0.00 2.30 2.30 0.00 27 A 8.27 3.95 1.28 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 28 L 8.01 3.94 0.00 1.76 1.64 0.53 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.96 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 0.00 0.00 0.00 30 R 7.99 3.90 0.00 2.09 1.95 0.00 3.09 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 8.17 4.06 0.00 1.89 1.91 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.84 4.04 0.00 1.74 1.70 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.30 3.63 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 0.71 0.00 0.00 0.95 0.00 0.00 34 V 7.96 3.54 1.56 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 -0.17 0.00 0.00 0.79 0.00 0.00 35 Y 7.32 3.91 0.00 2.57 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 0.00 0.00 0.00 36 P 0.00 4.42 0.00 2.21 2.10 0.00 3.76 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 2.12 1.94 0.00 37 W 8.34 4.44 0.00 3.57 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.23 4.38 4.46 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 1.16 0.00 0.00 39 Q 8.24 4.21 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 40 R 7.94 3.97 0.00 1.73 2.13 0.00 3.08 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.21 0.00 41 F 7.92 4.21 0.00 2.59 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 42 F 8.24 4.64 0.00 2.79 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 0.00 0.00 0.00 0.00 43 E 8.13 4.10 0.00 2.05 2.03 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 2.41 2.29 0.00 44 S 8.12 4.48 0.00 4.14 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 45 F 7.99 4.60 0.00 3.19 3.21 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 0.00 0.00 0.00 0.00 46 G 7.26 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 0.00 0.00 0.00 0.00 47 D 8.82 4.54 0.00 2.66 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 48 L 8.39 4.89 0.00 1.78 1.61 1.09 0.98 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 49 S 8.31 4.28 0.00 4.02 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 50 S 7.52 4.54 0.00 4.06 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 51 A 8.41 3.92 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 52 D 8.22 4.29 0.00 2.68 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 53 A 7.65 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.83 1.97 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 1.54 1.52 0.93 0.00 0.00 55 M 8.45 4.18 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 56 S 7.93 4.63 0.00 4.00 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 57 N 7.53 4.37 0.00 2.91 2.87 0.00 0.00 7.01 9.28 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 58 A 8.75 4.00 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 59 K 8.24 3.56 0.00 1.74 0.74 0.00 1.34 0.00 0.00 1.31 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.46 7.81 60 V 8.00 3.74 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 1.05 0.00 0.00 1.05 0.00 0.00 61 K 8.04 3.92 0.00 1.97 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 62 A 7.95 3.96 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 63 H 8.50 4.39 0.00 3.43 3.64 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.58 3.63 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 0.00 0.00 0.00 65 K 8.02 4.02 0.00 2.10 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.49 7.81 66 K 7.84 4.01 0.00 2.01 1.97 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 67 V 7.94 3.75 2.31 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 1.28 0.00 0.00 0.92 0.00 0.00 68 L 8.11 4.47 0.00 2.08 1.77 1.17 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.76 4.50 0.00 3.10 2.94 0.00 0.00 6.72 7.85 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 70 S 8.33 4.36 0.00 4.11 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 0.00 71 F 8.46 4.08 0.00 3.55 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 72 S 8.83 4.12 0.00 4.27 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 0.00 73 D 8.38 4.42 0.00 2.69 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 0.00 0.00 0.00 0.00 74 G 8.08 3.79 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 0.00 0.00 0.00 75 L 7.46 4.02 0.00 1.52 1.54 -0.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.82 4.12 0.00 1.71 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.63 7.81 77 N 7.80 5.05 0.00 2.79 2.71 0.00 0.00 6.91 6.65 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 78 I 7.88 3.89 1.93 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 1.53 0.64 0.88 0.00 0.00 79 D 7.92 4.68 0.00 2.66 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 80 D 7.94 4.77 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.10 0.00 1.76 1.80 0.94 1.14 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 82 K 8.23 3.94 0.00 1.65 1.81 0.00 1.60 0.00 0.00 1.25 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.16 1.44 7.81 83 G 8.10 3.66 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 0.00 84 A 7.95 3.95 1.09 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 85 F 8.25 4.53 0.00 3.16 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 86 A 7.58 4.04 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 87 K 7.96 3.92 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 88 L 7.92 4.16 0.00 1.83 1.82 0.97 0.87 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 89 S 8.41 4.36 0.00 4.10 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 90 E 8.15 3.88 0.00 2.27 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 0.00 2.44 2.33 0.00 91 L 8.08 3.90 0.00 1.83 1.84 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.28 4.12 0.00 3.63 3.77 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.97 3.49 0.00 1.23 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 94 D 8.25 4.46 0.00 2.75 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 95 K 8.02 4.34 0.00 1.79 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.49 7.81 96 L 7.67 4.35 0.00 1.69 1.67 0.67 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.33 4.20 0.00 3.52 3.48 0.00 5.65 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.94 3.83 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 0.36 0.00 0.00 0.65 0.00 0.00 99 D 8.78 4.25 0.00 2.74 2.48 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 0.00 0.00 0.00 0.00 100 P 0.00 2.97 0.00 1.75 1.55 0.00 3.28 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 101 E 8.11 3.83 0.00 1.95 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 2.32 2.42 0.00 102 N 7.80 4.43 0.00 2.71 2.89 0.00 0.00 7.02 7.80 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 0.00 103 F 7.38 4.51 0.00 3.08 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 0.00 104 R 7.81 4.00 0.00 2.02 2.00 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 105 L 7.72 3.86 0.00 1.78 1.27 0.70 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.22 4.19 0.00 1.89 1.82 1.00 1.04 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 0.00 107 G 8.52 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.43 4.56 0.00 2.84 2.96 0.00 0.00 6.66 6.97 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 0.00 109 V 7.86 3.66 2.16 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 1.14 0.00 0.00 1.14 0.00 0.00 110 L 7.90 3.82 0.00 1.70 1.68 0.84 0.06 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 0.00 111 V 7.60 3.52 2.31 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 1.30 0.00 0.00 1.16 0.00 0.00 112 C 8.03 4.04 0.00 3.20 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 0.00 113 V 8.04 3.52 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 0.98 0.00 0.00 0.97 0.00 0.00 114 L 8.21 3.81 0.00 1.09 0.85 0.55 0.73 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 0.00 115 A 7.64 3.63 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 0.00 116 H 8.13 4.13 0.00 3.18 3.42 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.04 3.93 0.00 2.80 2.28 0.00 5.87 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.79 4.73 0.00 3.10 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 0.00 119 G 8.49 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 0.00 0.00 0.00 0.00 120 H 8.79 4.54 0.00 3.19 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.17 4.52 0.00 3.08 2.82 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 0.00 122 F 8.24 4.58 0.00 2.99 3.14 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 0.00 123 N 7.90 4.27 0.00 2.81 2.76 0.00 0.00 6.98 8.03 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 0.00 124 P 0.00 4.27 0.00 2.12 2.09 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 125 Q 7.87 3.92 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 126 V 7.47 3.53 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 1.10 0.00 0.00 0.96 0.00 0.00 127 Q 7.60 3.35 0.00 1.53 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 128 A 8.10 4.15 1.37 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 0.00 0.00 129 A 7.96 3.96 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 0.00 130 F 8.33 4.07 0.00 3.46 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 0.00 131 Q 8.76 4.11 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 132 K 7.87 3.97 0.00 2.02 1.85 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 V 7.58 3.55 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 1.11 0.00 0.00 0.64 0.00 0.00 134 V 8.28 3.83 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 0.96 0.00 0.00 1.11 0.00 0.00 135 A 8.26 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.18 3.63 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 0.00 0.00 0.00 137 V 8.04 3.03 1.89 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 -0.20 0.00 0.00 0.75 0.00 0.00 138 A 8.07 3.86 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 0.00 139 N 8.18 4.27 0.00 2.91 2.89 0.00 0.00 7.07 7.79 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 0.00 140 A 8.08 4.12 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 0.00 141 L 7.88 3.94 0.00 0.89 0.88 0.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.82 4.31 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 0.00 143 H 7.91 4.17 0.00 3.38 3.47 0.00 5.75 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 0.00 144 K 8.35 4.49 0.00 1.87 1.87 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.83 7.81 145 Y 7.85 4.10 0.00 3.15 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 0.00 146 H 8.34 4.55 0.00 3.18 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00