NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.8294 8.0549 120.5391 62.6191 32.4336 174.3116 3 Q 4.5254 8.7778 127.4854 53.5088 31.5892 173.1795 4 L 5.1727 8.5600 122.2660 52.9673 46.2287 174.9343 5 Q 4.7227 8.7581 123.4900 54.5878 32.1418 174.0145 6 E 5.2669 9.0175 126.0192 56.1946 31.3773 175.2958 7 S 4.5611 9.4980 116.1409 57.7385 66.9972 174.8527 8 G 3.9507 9.1708 107.3910 44.7128 0.0000 173.6833 9 G 3.7813 7.2963 106.3273 45.6808 0.0000 172.7341 10 G 4.0719 7.3955 105.2451 46.0897 0.0000 171.3627 11 L 5.3551 8.5979 121.5218 53.4479 44.3228 176.3390 12 V 4.6493 8.6269 118.5052 59.6075 36.7753 175.0085 13 Q 4.8125 8.5055 119.9307 54.8532 30.4263 175.7883 14 A 4.2752 8.1442 124.4577 54.3101 18.7422 178.3898 15 G 3.9554 9.2865 111.6917 44.9958 0.0000 173.9478 16 G 4.0225 7.8517 107.2824 45.8394 0.0000 172.6010 17 S 5.4294 8.3883 113.8119 56.9400 67.3924 173.4826 18 L 4.7422 8.5300 120.7044 53.2816 46.8009 175.4554 19 R 4.8116 8.1396 119.4153 54.7632 32.4702 174.5385 20 L 4.5091 8.4832 127.1366 54.4892 43.3067 176.2669 21 S 5.2631 9.3049 117.5796 57.0044 67.0674 173.0332 22 C 5.1772 9.2452 123.0009 57.7719 34.4602 172.3772 23 A 4.9445 8.8909 129.1372 50.9582 19.9615 175.7777 24 A 4.9861 8.5475 124.9924 51.0181 20.6891 176.3983 25 S 4.4481 8.7913 115.0258 56.5183 67.4645 175.5115 26 G 4.3637 8.8774 109.4562 46.0526 0.0000 177.2500 27 A 4.2552 8.1487 123.4222 50.9819 16.5246 178.1191 28 T 4.0175 7.5725 108.9080 61.3330 70.2559 177.4624 29 G 3.6610 7.9803 111.9042 48.5487 0.0000 174.6471 30 S 4.2230 7.1765 113.5467 57.8226 63.8711 173.3869 31 T 4.1046 7.6857 118.3373 62.3154 69.7027 173.9181 32 Y 4.9689 7.4345 122.1474 56.1793 42.3356 174.8927 33 D 5.0676 9.1751 121.7971 54.8353 42.5556 175.3667 34 M 5.5236 9.2172 119.7026 53.9074 36.4556 174.8251 35 G 4.7301 9.4113 107.7753 44.6563 0.0000 171.1835 36 W 5.5121 9.1930 120.7652 54.9527 31.9420 175.3298 37 F 5.5972 9.9193 121.6139 56.0522 43.5094 173.7899 38 R 4.9632 9.1170 115.7845 54.9754 33.3334 174.1034 39 Q 4.6215 9.0708 122.2018 54.7146 32.4392 173.5447 40 A 4.6841 8.6218 128.6864 50.3470 20.4686 174.6877 41 P 4.2247 0.0000 0.0000 64.6999 31.6356 177.0465 42 G 3.9701 9.1822 111.7798 44.9505 0.0000 172.8059 43 K 4.6383 7.5074 118.0440 53.8701 34.9334 175.6880 44 E 4.0525 8.4159 121.6358 55.9387 30.2451 176.6171 45 R 4.4759 8.3236 125.7155 56.4650 31.0036 175.2336 46 E 5.0208 9.1431 122.5011 54.3522 33.3408 175.2187 47 S 4.2694 9.0178 117.2370 59.2519 63.4146 173.4482 48 V 4.4278 8.5301 122.0312 64.1549 33.7067 175.1067 49 A 5.1285 7.6662 118.8782 51.1569 22.4661 174.6013 50 A 5.2544 8.9158 120.7442 50.6118 23.6696 175.0782 51 I 5.1081 8.7771 118.6486 59.4430 42.2324 173.6127 52 N 5.0615 9.3423 128.7950 53.0838 39.4429 175.7268 52A W 3.9858 9.2410 135.0000 60.4864 31.2879 177.6126 53 G 3.7668 8.5534 106.3211 48.4493 0.0000 174.5223 54 S 4.2645 8.1265 112.2927 57.3712 63.7506 174.3069 55 A 3.7533 7.9656 122.3637 52.7575 16.5961 177.2275 56 G 3.7525 7.9404 107.0117 48.0924 0.0000 173.7730 57 T 5.0742 8.1363 114.3573 60.1005 71.6905 173.2616 58 Y 4.7761 8.4030 119.3676 56.6292 42.4462 174.0074 59 Y 5.2904 8.5287 119.1186 56.0011 42.0426 175.1656 60 A 4.2208 9.2315 125.6106 51.8417 18.9994 178.6350 61 S 4.0911 8.9594 115.0269 61.3521 62.6910 176.8932 62 S 4.1837 8.0868 113.5027 60.3401 63.0555 174.9415 63 V 3.7897 7.4071 112.1329 60.3140 32.4629 175.6347 64 R 3.8167 7.2974 119.4539 57.7831 30.1321 177.3529 65 G 3.9251 8.6775 110.2389 45.4815 0.0000 173.6568 66 R 4.5412 7.6592 117.1604 56.7679 33.2811 175.6254 67 F 5.7071 8.0569 115.7356 56.1172 41.6226 175.8211 68 T 4.8631 8.9483 118.1331 61.9719 72.0183 172.7061 69 I 5.2235 9.2110 127.4269 59.8499 39.8509 174.5749 70 S 4.9675 8.9736 121.8417 57.4468 66.9167 172.7870 71 R 5.0963 8.3397 115.6603 54.7140 32.4511 173.8115 72 D 4.7431 8.8862 121.2678 52.5336 42.9858 176.1771 73 N 4.5826 8.8886 125.4266 56.6555 39.5011 176.6679 74 A 4.0633 8.2720 119.9520 54.9873 18.4992 178.1914 75 K 4.2924 8.4219 112.3634 56.0648 33.0768 176.6782 76 K 4.2571 7.8771 118.6220 58.0378 30.4642 174.4561 77 T 5.2043 8.0071 113.3085 61.8300 72.8478 174.4490 78 V 4.9906 8.4916 124.8086 61.4840 34.6568 173.9497 79 Y 5.4433 9.2721 123.4489 56.2488 42.0830 174.5868 80 L 4.5630 8.7179 125.0824 53.0144 44.1080 174.6592 81 Q 4.3457 8.9397 128.6335 55.9616 30.5865 174.4123 82 M 4.4063 8.9638 126.2125 53.6473 34.6855 174.5892 82A N 5.1469 8.8363 120.7128 49.9853 41.9722 174.6068 82B S 3.7129 8.5286 113.3025 59.5039 60.7655 173.3031 82C L 4.4699 7.9297 119.1923 55.0051 42.5740 177.2770 83 K 4.9553 9.3774 120.6626 53.7390 35.7648 175.6045 84 P 4.7655 0.0000 0.0000 65.1251 31.3055 178.3133 85 E 4.2276 8.0914 113.3574 58.1194 29.6477 177.0887 86 D 4.7521 8.3085 119.3166 55.8200 41.2391 176.5921 87 T 4.3962 8.0324 117.5325 63.5680 68.9947 173.7322 88 A 4.3486 8.4789 127.4557 51.6584 23.7970 174.9728 89 V 4.4685 7.9532 119.7668 62.9229 32.9166 174.3301 90 Y 5.2384 9.4919 126.4004 56.9379 39.8693 174.8573 91 T 5.3179 9.4342 120.9267 62.0289 72.4539 172.6708 92 C 4.7695 9.6387 125.6201 58.0244 33.8952 172.6310 93 G 3.9043 8.8193 110.1986 44.3686 0.0000 171.1890 94 A 5.2805 8.3155 122.8494 49.5982 22.5724 175.3744 95 G 4.5615 8.3831 107.7679 47.3006 0.0000 173.6260 96 R 5.3582 9.0921 123.6356 54.1363 33.4017 175.2220 97 I 3.0686 8.2977 124.3804 62.1320 37.5944 175.7878 98H R 3.5969 8.5212 122.5043 57.2017 29.3788 175.7999 98I E 4.6842 8.4400 115.0894 56.1460 29.9359 178.0360 98J S 4.2023 8.0948 115.6237 60.9343 63.0523 175.4024 99 W 4.2515 8.1297 117.8718 58.2323 28.3121 176.0550 100 V 2.9202 6.4461 119.7033 62.7373 31.1441 175.2742 101 T 3.8310 7.9792 123.6730 63.7258 70.0789 175.2466 102 W 4.9037 7.1964 119.8355 54.4352 32.9841 174.6431 103 W 4.9727 8.8855 123.2201 54.9880 31.5192 176.9417 104 G 4.0409 8.8945 111.6784 46.2599 0.0000 172.8240 105 Q 4.4595 9.0993 117.8245 55.5422 30.3250 177.0484 106 G 4.1659 9.3387 103.9038 45.5456 0.0000 172.4794 107 T 4.7730 8.9569 115.6964 59.9859 71.2529 172.4963 108 Q 4.4085 8.7780 129.2639 55.7701 30.8905 174.2931 109 V 4.6249 8.9277 125.9974 61.4392 34.4828 174.1486 110 T 4.9830 9.1471 124.5908 61.6667 72.1514 173.0848 111 V 4.9559 8.6976 126.0188 61.0669 34.1999 174.6504 112 S 4.6747 8.8149 123.5686 57.2988 64.9602 174.8834 113 S 4.2980 8.5790 116.7354 59.1357 62.5690 174.2874 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 V 8.05 3.83 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 0.41 0.00 0.00 -0.56 0.00 0.00 3 Q 8.78 4.53 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.61 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 4 L 8.56 5.17 0.00 1.52 1.43 0.91 0.59 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 5 Q 8.76 4.72 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 6 E 9.02 5.27 0.00 2.06 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 0.00 2.65 2.42 0.00 7 S 9.50 4.56 0.00 3.88 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 8 G 9.17 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 0.00 0.00 0.00 9 G 7.30 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 10 G 7.40 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 0.00 0.00 0.00 0.00 11 L 8.60 5.36 0.00 1.62 1.54 0.93 0.86 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 12 V 8.63 4.65 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 0.74 0.00 0.00 0.91 0.00 0.00 13 Q 8.51 4.81 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 14 A 8.14 4.28 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 15 G 9.29 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 0.00 0.00 0.00 16 G 7.85 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 S 8.39 5.43 0.00 3.69 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 18 L 8.53 4.74 0.00 1.29 1.31 0.77 0.48 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 19 R 8.14 4.81 0.00 1.83 1.74 0.00 3.12 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 20 L 8.48 4.51 0.00 0.58 1.03 0.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.30 5.26 0.00 3.81 3.74 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 22 C 9.25 5.18 0.00 2.53 2.54 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 23 A 8.89 4.94 1.25 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 0.00 0.00 24 A 8.55 4.99 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 25 S 8.79 4.45 0.00 3.78 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 26 G 8.88 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.26 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 28 T 7.57 4.02 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 29 G 7.98 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 30 S 7.18 4.22 0.00 3.68 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 31 T 7.69 4.10 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 1.29 0.00 0.00 32 Y 7.43 4.97 0.00 2.72 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 33 D 9.18 5.07 0.00 2.73 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 34 M 9.22 5.52 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 35 G 9.41 4.73 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 36 W 9.19 5.51 0.00 3.38 3.27 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 37 F 9.92 5.60 0.00 3.22 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 38 R 9.12 4.96 0.00 0.92 1.05 0.00 2.56 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 39 Q 9.07 4.62 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 40 A 8.62 4.68 1.25 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 0.00 0.00 41 P 0.00 4.22 0.00 2.05 2.04 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 42 G 9.18 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 43 K 7.51 4.64 0.00 1.88 1.70 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.33 7.81 44 E 8.42 4.05 0.00 1.92 1.85 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 2.28 2.27 0.00 45 R 8.32 4.48 0.00 1.76 1.73 0.00 3.24 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 46 E 9.14 5.02 0.00 2.11 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 2.32 2.32 0.00 47 S 9.02 4.27 0.00 3.88 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 48 V 8.53 4.43 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 1.46 0.00 0.00 1.07 0.00 0.00 49 A 7.67 5.13 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 50 A 8.92 5.25 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 51 I 8.78 5.11 1.96 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 1.14 1.58 1.15 0.00 0.00 52 N 9.34 5.06 0.00 2.94 2.73 0.00 0.00 6.60 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 52A W 9.24 3.99 0.00 3.71 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 53 G 8.55 3.77 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 0.00 0.00 0.00 54 S 8.13 4.26 0.00 4.01 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 55 A 7.97 3.75 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 56 G 7.94 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 0.00 0.00 0.00 57 T 8.14 5.07 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 1.25 0.00 0.00 58 Y 8.40 4.78 0.00 2.78 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 59 Y 8.53 5.29 0.00 2.87 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 60 A 9.23 4.22 1.38 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 0.00 0.00 0.00 61 S 8.96 4.09 0.00 3.89 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 62 S 8.09 4.18 0.00 3.97 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 63 V 7.41 3.79 1.10 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 0.38 0.00 0.00 1.09 0.00 0.00 64 R 7.30 3.82 0.00 1.93 1.81 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 65 G 8.68 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 0.00 0.00 0.00 0.00 66 R 7.66 4.54 0.00 1.65 2.20 0.00 3.01 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 67 F 8.06 5.71 0.00 2.82 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 8.95 4.86 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 1.31 0.00 0.00 69 I 9.21 5.22 2.09 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.85 0.00 0.00 70 S 8.97 4.97 0.00 3.97 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 71 R 8.34 5.10 0.00 1.06 1.71 0.00 2.25 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.35 0.00 72 D 8.89 4.74 0.00 2.93 2.76 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 73 N 8.89 4.58 0.00 2.78 2.83 0.00 0.00 7.04 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 74 A 8.27 4.06 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 75 K 8.42 4.29 0.00 1.93 1.97 0.00 2.10 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.67 7.81 76 K 7.88 4.26 0.00 1.88 1.82 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.55 7.81 77 T 8.01 5.20 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 0.58 0.00 0.00 78 V 8.49 4.99 2.17 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 1.40 0.00 0.00 1.33 0.00 0.00 79 Y 9.27 5.44 0.00 3.04 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 80 L 8.72 4.56 0.00 0.39 0.70 0.53 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.94 4.35 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 82 M 8.96 4.41 0.00 0.89 1.42 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.86 0.00 82A N 8.84 5.15 0.00 2.77 2.73 0.00 0.00 7.12 7.47 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 82B S 8.53 3.71 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 82C L 7.93 4.47 0.00 1.84 1.64 0.85 0.69 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 83 K 9.38 4.96 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.56 7.81 84 P 0.00 4.77 0.00 2.20 2.15 0.00 3.90 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 2.14 2.08 0.00 85 E 8.09 4.23 0.00 2.10 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 2.31 2.29 0.00 86 D 8.31 4.75 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 87 T 8.03 4.40 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 1.32 0.00 0.00 88 A 8.48 4.35 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 89 V 7.95 4.47 2.11 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 1.09 0.00 0.00 0.97 0.00 0.00 90 Y 9.49 5.24 0.00 3.08 3.19 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 91 T 9.43 5.32 4.47 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 1.54 0.00 0.00 92 C 9.64 4.77 0.00 1.88 2.44 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 93 G 8.82 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 0.00 0.00 0.00 94 A 8.32 5.28 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 95 G 8.38 4.56 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 96 R 9.09 5.36 0.00 1.89 1.89 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 97 I 8.30 3.07 1.50 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 -0.36 0.33 0.00 0.00 98H R 8.52 3.60 0.00 2.03 1.98 0.00 3.23 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 98I E 8.44 4.68 0.00 1.90 2.24 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 2.29 2.30 0.00 98J S 8.09 4.20 0.00 4.01 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 0.00 99 W 8.13 4.25 0.00 3.72 3.32 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 0.00 100 V 6.45 2.92 1.13 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 -1.29 0.00 0.00 -0.91 0.00 0.00 101 T 7.98 3.83 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 -0.41 0.00 0.00 102 W 7.20 4.90 0.00 3.08 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 0.00 103 W 8.89 4.97 0.00 3.06 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 0.00 104 G 8.89 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 0.00 0.00 0.00 105 Q 9.10 4.46 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 106 G 9.34 4.17 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 0.00 107 T 8.96 4.77 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 1.44 0.00 0.00 108 Q 8.78 4.41 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 109 V 8.93 4.62 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 0.82 0.00 0.00 0.56 0.00 0.00 110 T 9.15 4.98 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 1.24 0.00 0.00 111 V 8.70 4.96 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 112 S 8.81 4.67 0.00 3.96 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 0.00 113 S 8.58 4.30 0.00 3.89 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