NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0997 8.0249 120.7793 60.6555 38.9913 175.4112 2 Q 4.2515 8.5467 126.8486 55.6388 29.7207 174.0005 3 R 4.7917 8.4493 118.0301 54.9983 35.5376 174.0663 4 T 5.3815 8.9444 118.3793 60.2252 68.3443 172.4441 5 P 4.8007 0.0000 0.0000 62.9261 32.7871 175.7046 6 K 4.4744 8.7506 121.9350 54.7057 34.0471 174.7088 7 I 4.3735 8.2755 128.6070 60.9473 38.4479 175.9079 8 Q 4.5555 8.6223 125.2776 54.5831 32.2624 174.3975 9 V 5.0231 8.5300 117.9776 60.5311 33.7150 175.1239 10 Y 5.0240 7.9431 121.2292 56.9900 41.7133 172.4944 11 S 5.5898 8.8028 112.9898 55.7466 65.4749 174.5045 12 R 4.0752 8.8180 121.6893 59.3228 30.1988 176.2949 13 H 5.1503 7.8659 112.6030 52.7034 31.9582 171.8106 14 P 4.2643 0.0000 0.0000 62.8914 31.4749 176.3000 15 A 4.2229 8.9200 125.5078 53.3276 18.8498 177.5809 16 E 4.7035 8.8863 122.4255 55.1418 30.8897 172.1399 17 N 4.2796 7.7395 119.0122 51.9205 39.6409 175.2218 18 G 3.9904 9.1611 112.1740 45.0711 0.0000 173.6643 19 K 4.2425 7.5151 119.1686 54.4656 32.7069 176.3975 20 S 4.1098 8.6230 119.4313 58.6520 63.4572 172.0107 21 N 5.2917 9.3579 130.3671 53.1902 42.7365 173.1910 22 F 5.1235 8.8710 114.0662 55.8593 44.0394 173.1473 23 L 4.0261 8.1854 126.1967 53.4409 43.1857 174.8621 24 N 5.2525 8.6026 124.3827 51.7618 41.6891 173.6283 25 C 5.1998 8.9001 121.1148 55.4962 45.4891 172.1276 26 Y 5.3848 9.2365 128.5600 55.8965 40.2670 174.4898 27 V 4.5282 8.5156 120.3374 60.4638 33.3705 175.5394 28 S 5.1264 8.5801 117.3727 58.1643 66.3833 175.1295 29 G 4.0097 8.6912 106.9743 45.8551 0.0000 174.0719 30 F 4.3562 8.1125 115.0161 58.3554 39.4340 174.5145 31 H 4.5135 9.3650 120.7368 56.2061 29.6720 172.6255 32 P 4.3029 0.0000 0.0000 61.9416 31.8123 177.3594 33 S 3.6950 8.7737 120.5334 60.8936 62.6418 174.4778 34 D 4.3483 7.5949 119.7970 54.8195 40.6757 174.8186 35 I 4.7653 7.9933 125.7224 59.6484 41.3207 173.2627 36 E 4.8281 8.8497 125.3401 54.5239 32.4986 174.9091 37 V 4.7121 8.0216 120.8911 61.2464 34.9158 174.0406 38 D 4.7930 8.4033 125.7117 52.4735 45.4961 174.3310 39 L 4.7473 8.3873 121.8664 53.3630 43.7221 175.3888 40 L 5.1051 9.5655 125.4385 53.0920 44.6659 175.8874 41 K 4.6430 8.8410 123.4382 54.9332 34.8312 175.5496 42 N 3.9907 10.2547 125.6797 54.2896 36.4574 175.7167 43 G 3.9727 8.7092 104.4267 45.2201 0.0000 173.5281 44 E 4.7047 7.7823 119.2567 53.7356 31.9957 175.4281 45 R 4.5367 8.4557 120.0681 56.3454 30.1480 176.1500 46 I 4.1388 8.7882 125.5135 61.1356 38.2325 176.0056 47 E 4.4680 8.6825 127.7994 56.5078 32.3562 175.8626 48 K 3.7663 8.3471 117.3266 56.2924 29.1357 170.3512 49 V 4.4536 7.3927 117.7851 61.3934 33.7356 174.7098 50 E 4.7819 8.3093 123.7590 54.9013 33.5058 174.4431 51 H 5.1581 8.1688 115.3379 54.6881 31.4911 173.9335 52 S 4.6428 8.8798 115.2142 57.8079 65.5828 172.5342 53 D 4.5950 8.4744 119.2373 53.2941 41.6718 176.1585 54 L 4.1174 8.2154 125.8296 56.0516 43.0387 175.7146 55 S 4.5727 8.1597 118.8373 57.8751 66.2834 172.1844 56 F 5.2166 7.4167 114.1315 55.9228 40.9569 173.9106 57 S 4.7828 9.0474 116.5235 56.4481 64.9101 175.5592 58 K 3.5100 8.6323 120.5713 60.0190 31.2708 177.7264 59 D 4.3855 7.8949 115.8134 52.8918 39.1831 177.1705 60 W 3.3459 7.7330 117.3303 57.4444 27.5516 174.3723 61 S 4.1774 7.5372 113.8053 57.8072 63.1721 173.9458 62 F 5.0850 8.1425 123.1485 57.5228 40.4167 174.0314 63 Y 5.4918 8.4950 117.8121 56.1170 41.4614 173.5346 64 L 5.0868 9.4870 123.4344 53.5076 46.6387 174.2511 65 L 5.3521 8.7988 126.4585 53.7066 44.9490 174.6424 66 Y 5.3081 9.0655 123.7751 56.7497 41.4065 174.3245 67 Y 5.7461 8.7102 118.3313 57.4333 41.5097 173.4899 68 T 4.9389 8.3455 117.9174 61.5948 73.1226 172.3749 69 E 3.3229 8.6887 125.5390 55.4916 30.2367 175.4835 70 F 4.8647 8.7966 120.4707 55.8739 42.0850 172.9924 71 T 4.3758 8.1091 114.6277 59.3490 68.8783 171.7736 72 P 4.7540 0.0000 0.0000 63.0183 32.2236 175.3827 73 T 5.4451 8.3307 110.6933 59.1498 72.3238 174.3862 74 E 4.0114 9.0934 123.4323 58.6924 30.1307 179.2219 75 K 4.1817 7.4973 121.0611 57.1148 32.1607 183.2028 76 D 4.7559 7.8031 118.8935 53.9313 41.4429 175.4658 77 E 4.7927 8.8233 121.8427 54.7521 32.7262 174.6399 78 Y 5.5422 8.3212 119.9237 56.5202 41.7952 174.3088 79 A 4.9749 8.6635 122.4581 51.4834 23.5825 172.5672 80 C 5.8893 8.7900 114.1473 52.5804 39.7971 172.9817 81 R 4.8245 8.4525 118.4670 54.6206 31.5406 174.8522 82 V 4.4643 8.4766 123.3771 61.0335 33.6196 173.9347 83 N 4.9401 8.8147 127.0667 52.2641 40.8662 172.9925 84 H 5.3031 8.5502 124.4709 54.4691 33.0717 173.3139 85 V 3.7729 7.9624 112.8004 64.1643 31.7884 178.2583 86 T 4.3222 7.7044 107.5983 61.9625 68.8970 173.4982 87 L 5.0647 7.2162 121.2375 53.1612 44.2479 176.6220 88 S 4.2341 8.6709 119.9727 60.8764 63.2824 174.1631 89 Q 4.6277 7.5246 118.7510 52.8123 31.1939 173.5463 90 P 4.3391 0.0000 0.0000 62.7647 30.4703 175.4300 91 K 3.9451 8.5385 125.9646 57.3582 33.0039 175.1357 92 I 4.9401 8.3711 127.2719 59.6142 40.0567 175.2462 93 V 4.4162 8.1773 124.6704 61.2638 34.3662 175.1684 94 K 4.6901 8.8441 127.1914 55.6802 33.6181 176.4545 95 W 4.7614 9.0991 133.3152 56.3873 31.2661 175.9677 96 D 4.3132 9.0060 128.3187 53.9802 40.0608 176.8420 97 R 2.6482 7.7482 126.8532 59.0797 30.3580 178.0506 98 D 4.4485 7.9085 116.5623 56.5526 41.1707 176.1050 99 M 4.3765 8.4902 123.0123 55.3924 32.2273 175.5138 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 4.10 1.86 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 1.42 1.36 0.88 0.00 0.00 2 Q 8.55 4.25 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 3 R 8.45 4.79 0.00 1.94 1.95 0.00 3.16 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 4 T 8.94 5.38 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 1.27 0.00 0.00 5 P 0.00 4.80 0.00 1.92 1.65 0.00 3.82 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 1.94 1.81 0.00 6 K 8.75 4.47 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 7 I 8.28 4.37 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 0.94 0.00 0.00 8 Q 8.62 4.56 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 9 V 8.53 5.02 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 0.87 0.00 0.00 1.26 0.00 0.00 10 Y 7.94 5.02 0.00 3.11 3.11 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 11 S 8.80 5.59 0.00 4.27 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 12 R 8.82 4.08 0.00 1.74 2.00 0.00 3.02 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.41 0.00 13 H 7.87 5.15 0.00 3.26 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.94 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 4.26 0.00 2.11 2.12 0.00 3.81 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 2.10 2.20 0.00 15 A 8.92 4.22 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 0.00 0.00 0.00 0.00 0.00 16 E 8.89 4.70 0.00 2.01 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 2.29 2.35 0.00 17 N 7.74 4.28 0.00 2.83 2.67 0.00 0.00 7.09 7.69 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 18 G 9.16 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 0.00 0.00 0.00 19 K 7.52 4.24 0.00 1.87 1.75 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.39 7.81 20 S 8.62 4.11 0.00 3.74 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 21 N 9.36 5.29 0.00 2.58 2.57 0.00 0.00 6.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.87 5.12 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.03 0.00 0.27 0.54 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.60 5.25 0.00 1.44 2.16 0.00 0.00 5.95 7.64 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 25 C 8.90 5.20 0.00 2.93 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 26 Y 9.24 5.38 0.00 3.30 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 27 V 8.52 4.53 1.68 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 0.75 0.00 0.00 0.88 0.00 0.00 28 S 8.58 5.13 0.00 3.88 3.39 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 29 G 8.69 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.11 4.36 0.00 3.08 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 31 H 9.37 4.51 0.00 3.23 3.25 0.00 5.99 0.00 0.00 0.00 0.00 7.05 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 4.30 0.00 2.23 2.09 0.00 3.95 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 33 S 8.77 3.70 0.00 3.07 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 7.59 4.35 0.00 2.63 2.70 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 35 I 7.99 4.77 1.78 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 0.90 0.00 0.00 36 E 8.85 4.83 0.00 2.02 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 2.27 2.14 0.00 37 V 8.02 4.71 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 0.28 0.00 0.00 0.64 0.00 0.00 38 D 8.40 4.79 0.00 2.44 2.42 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 39 L 8.39 4.75 0.00 1.55 1.52 0.85 0.53 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 9.57 5.11 0.00 1.75 1.59 0.97 0.41 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 41 K 8.84 4.64 0.00 2.03 1.74 0.00 2.20 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.28 1.12 7.81 42 N 10.25 3.99 0.00 2.83 2.86 0.00 0.00 7.24 5.90 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 43 G 8.71 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 44 E 7.78 4.70 0.00 2.16 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 0.00 2.21 2.35 0.00 45 R 8.46 4.54 0.00 1.80 1.94 0.00 3.01 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 46 I 8.79 4.14 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.93 0.00 0.00 47 E 8.68 4.47 0.00 1.82 1.91 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 2.25 2.36 0.00 48 K 8.35 3.77 0.00 1.86 1.69 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 0.97 7.81 49 V 7.39 4.45 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 1.25 0.00 0.00 0.95 0.00 0.00 50 E 8.31 4.78 0.00 1.16 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 2.03 2.00 0.00 51 H 8.17 5.16 0.00 2.35 1.88 0.00 5.54 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.88 4.64 0.00 3.90 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 53 D 8.47 4.59 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.12 0.00 1.63 1.53 0.98 0.57 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 55 S 8.16 4.57 0.00 3.63 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 56 F 7.42 5.22 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.78 0.00 4.15 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 58 K 8.63 3.51 0.00 1.60 1.71 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.38 7.81 59 D 7.89 4.39 0.00 2.80 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 60 W 7.73 3.35 0.00 3.17 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 61 S 7.54 4.18 0.00 3.90 4.01 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 0.00 0.00 0.00 0.00 62 F 8.14 5.08 0.00 1.85 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 63 Y 8.50 5.49 0.00 3.05 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 L 9.49 5.09 0.00 2.04 1.77 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.80 5.35 0.00 2.13 1.69 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.07 5.31 0.00 2.96 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 67 Y 8.71 5.75 0.00 2.97 2.95 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 68 T 8.35 4.94 4.07 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 0.00 0.00 1.20 0.00 0.00 69 E 8.69 3.32 0.00 1.62 1.65 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 1.96 1.51 0.00 70 F 8.80 4.86 0.00 2.86 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 71 T 8.11 4.38 4.12 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 1.17 0.00 0.00 72 P 0.00 4.75 0.00 2.28 1.85 0.00 3.41 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 73 T 8.33 5.45 4.26 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 1.27 0.00 0.00 74 E 9.09 4.01 0.00 1.99 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 2.45 2.25 0.00 75 K 7.50 4.18 0.00 1.97 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.28 7.81 76 D 7.80 4.76 0.00 2.59 2.19 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 77 E 8.82 4.79 0.00 1.79 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 2.16 2.37 0.00 78 Y 8.32 5.54 0.00 3.26 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 79 A 8.66 4.97 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 80 C 8.79 5.89 0.00 2.96 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 81 R 8.45 4.82 0.00 1.87 2.06 0.00 2.89 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 82 V 8.48 4.46 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 0.57 0.00 0.00 0.80 0.00 0.00 83 N 8.81 4.94 0.00 2.76 2.71 0.00 0.00 6.13 7.35 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 84 H 8.55 5.30 0.00 3.05 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.96 3.77 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 0.84 0.00 0.00 0.86 0.00 0.00 86 T 7.70 4.32 4.30 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 1.28 0.00 0.00 87 L 7.22 5.06 0.00 1.66 1.72 0.95 0.86 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 88 S 8.67 4.23 0.00 3.86 3.89 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 89 Q 7.52 4.63 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.16 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 90 P 0.00 4.34 0.00 2.15 2.11 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 91 K 8.54 3.95 0.00 1.86 1.73 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 92 I 8.37 4.94 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 0.94 0.93 0.00 0.00 93 V 8.18 4.42 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 1.07 0.00 0.00 0.97 0.00 0.00 94 K 8.84 4.69 0.00 1.74 1.81 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.48 7.81 95 W 9.10 4.76 0.00 3.31 3.47 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 96 D 9.01 4.31 0.00 2.78 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 97 R 7.75 2.65 0.00 1.58 1.66 0.00 3.09 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.43 0.00 98 D 7.91 4.45 0.00 2.88 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 99 M 8.49 4.38 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.49 0.00