NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8518 8.3549 109.7395 45.7372 0.0000 175.9967 2 S 4.3413 8.5981 125.0072 55.6411 62.6810 171.8766 3 S 4.1218 8.5992 121.5629 59.4869 63.8009 174.2863 4 G 3.9415 8.7914 117.3897 46.4786 0.0000 172.7874 5 S 4.1483 7.9199 116.2263 61.3240 64.2055 175.6381 6 S 3.4271 9.1332 114.5242 55.7864 60.4665 170.5360 7 G 4.1175 8.2356 112.0480 46.0014 0.0000 170.0197 8 P 4.6849 0.0000 0.0000 61.6661 29.6593 175.1062 9 F 4.5607 7.8424 125.3481 60.3264 41.9753 171.0315 10 C 3.5951 8.3454 129.0953 58.7738 29.3522 171.6722 11 A 4.5105 8.1360 129.3116 51.1496 19.8243 176.3970 12 M 4.2153 7.7986 112.9707 54.9912 33.5038 174.8849 13 E 4.0439 9.0802 123.7552 59.0321 30.1872 176.8489 14 N 4.4184 7.7326 115.7226 52.6140 39.6789 174.3505 15 Q 3.9865 8.4778 123.6813 55.9049 29.4456 177.0232 16 V 3.8536 7.9947 112.6677 61.6831 32.6469 175.0656 17 L 4.8497 9.2366 124.3325 53.3864 45.1657 175.4153 18 V 4.3738 8.1048 123.3696 61.2375 34.5352 173.8811 19 I 4.4231 7.9332 129.9344 60.0417 39.1267 175.1084 20 R 4.8715 8.5763 128.1448 54.6437 31.6501 174.7613 21 I 4.3437 8.5611 129.1908 60.4247 38.3296 175.7793 22 K 4.0366 8.5968 128.2347 56.4934 31.9260 176.9873 23 I 4.2433 8.1863 127.2384 59.6661 38.2854 174.6318 24 P 4.2722 0.0000 0.0000 63.3795 31.8528 176.4055 25 N 4.1808 8.6853 122.9536 53.0024 35.7995 174.0117 26 S 4.8654 7.9046 104.2924 58.3595 67.2235 179.8968 27 G 3.6515 7.9222 110.8971 46.4256 0.0000 173.9013 28 A 5.0537 8.3039 124.0779 50.6192 22.2659 175.4927 29 V 4.4522 8.3812 119.9658 61.1201 34.3668 174.2066 30 D 5.2368 8.5968 126.2356 51.6068 41.0426 175.6322 31 W 4.6756 9.3855 135.0000 55.8779 31.4548 174.8555 32 T 4.0431 8.7522 122.8951 62.7418 67.0172 172.6559 33 V 3.8261 8.2815 129.7153 61.4178 32.7964 175.9304 34 H 4.0287 8.8777 124.3132 57.2028 29.9767 175.7823 35 S 4.5761 7.6931 116.6547 57.4545 62.6081 175.6540 36 G 4.0335 8.1527 112.2421 48.4124 0.0000 172.9915 37 P 4.4482 0.0000 0.0000 65.3391 32.0840 177.2101 38 Q 4.3303 7.4262 119.0255 55.3852 28.2180 175.0526 39 L 4.8312 7.5782 118.8282 53.1149 44.9563 175.3605 40 L 4.9736 8.1380 123.6804 52.3460 46.1656 177.6900 41 F 4.5401 8.4545 121.9241 61.8187 39.1051 177.3816 42 R 3.7818 8.3160 117.1448 59.5312 29.8120 178.1831 43 D 4.7125 8.2785 117.9843 57.6447 40.7556 179.2414 44 V 3.3371 7.4816 117.6711 66.1897 31.5257 178.1313 45 L 3.5059 7.4083 118.1164 57.7498 41.1144 179.3107 46 D 4.2602 8.6433 119.2673 56.7714 40.6963 178.5928 47 V 3.2782 7.3074 119.1029 65.4550 31.4006 177.7841 48 I 3.5982 8.0062 120.3891 64.6815 36.4784 178.2214 49 G 3.2633 7.9208 106.0270 48.0609 0.0000 175.2567 50 Q 4.1072 8.6904 119.6666 57.6948 28.9495 178.2985 51 V 3.8345 7.3201 118.3841 64.4720 33.2341 176.3667 52 L 4.7007 8.3864 121.3971 52.1644 41.3257 175.1896 53 P 4.4355 0.0000 0.0000 64.0150 32.0928 178.0102 54 E 4.3461 8.0774 116.0443 55.8534 29.8020 175.6145 55 A 4.3607 7.5721 122.3914 50.6423 20.6870 176.4295 56 T 4.0648 8.3616 118.9728 65.3101 68.4568 173.6199 57 T 4.9866 7.2033 116.4994 61.1624 74.1244 175.1107 58 T 3.7299 8.2529 124.2851 63.7086 67.3558 171.8036 59 A 5.4534 7.5285 119.9096 50.3698 23.4999 173.7044 60 F 6.0455 7.9343 112.0776 56.2519 41.9970 173.1712 61 E 5.8816 9.4426 117.8082 54.3030 33.1192 174.8206 62 Y 5.6494 7.9501 118.6419 55.3749 41.4143 174.0238 63 E 4.0595 9.3489 123.8253 56.8870 30.1070 176.7153 64 D 3.6304 8.0415 125.3709 53.0579 42.4286 176.9011 65 E 4.2745 8.9503 113.4005 59.4414 29.9635 177.3471 66 D 4.6397 8.1240 116.8352 53.2080 41.4839 176.9897 67 G 3.9083 7.2147 106.5087 46.8853 0.0000 173.7924 68 D 4.3937 7.6223 113.9685 52.8179 42.1731 174.2996 69 R 3.3760 7.6018 118.4136 57.0947 27.3514 175.7181 70 I 4.0370 7.5229 124.1557 60.6008 39.3134 174.9907 71 T 4.9171 8.0536 118.4226 61.9628 71.6604 174.1899 72 V 4.1210 8.8458 126.4140 61.3990 33.0268 175.7493 73 R 4.4199 9.8178 126.9720 55.4883 31.4481 176.1771 74 S 4.0741 6.7932 111.6411 55.3728 65.7778 174.6861 75 D 4.3863 8.6840 121.9484 57.7505 40.3822 178.6826 76 E 3.8984 7.7416 118.8894 59.5254 29.6512 178.7225 77 E 3.9696 8.2692 118.7084 60.0252 29.3905 178.6031 78 M 4.0993 8.0813 117.7974 58.6587 31.7920 178.4038 79 K 3.8647 8.3611 119.3935 59.8113 32.6915 179.0777 80 A 4.1333 7.6786 120.5535 55.4492 18.4645 179.0471 81 M 3.1543 8.3879 118.2263 58.0195 32.2119 178.5070 82 L 3.5387 8.1620 119.0497 57.4198 41.6214 179.5417 83 S 4.2943 8.0865 115.1339 60.9829 62.5889 175.9050 84 Y 4.2160 7.6593 121.9730 60.3734 38.6724 176.1848 85 Y 3.8491 7.8884 120.4551 61.3016 38.7204 178.1159 86 Y 4.1403 7.4898 116.9816 61.0039 37.7405 178.1187 87 S 4.1410 7.5451 111.9930 60.7524 62.7432 175.2893 88 T 4.0197 7.9760 115.8369 63.7841 67.4577 176.4473 89 V 3.2966 8.2434 121.3720 66.3403 31.6048 177.8262 90 M 3.9169 7.8511 116.3355 58.5637 30.8385 178.2034 91 E 4.0311 8.0713 119.4351 59.0234 29.8355 178.8801 92 Q 4.0755 8.2047 118.0385 58.1284 28.4660 178.5084 93 Q 3.9977 7.6627 118.2960 58.8012 29.2889 178.1924 94 V 3.7440 7.3868 111.4373 64.3047 31.5124 178.2333 95 N 4.5480 7.8788 115.6893 55.4839 38.6034 176.0653 96 G 4.3240 7.6356 115.6303 46.3373 0.0000 173.0864 97 Q 3.9849 7.5918 118.7520 55.2752 29.0217 177.1219 98 L 4.2178 8.1090 118.7908 54.5100 42.4417 177.2336 99 I 3.9313 8.0226 121.6383 61.3473 37.7995 175.5531 100 E 4.7785 8.2647 122.6978 53.7772 31.8079 174.1138 101 P 4.6140 0.0000 0.0000 62.4906 32.6182 176.4608 102 L 4.2251 8.7412 125.7152 55.3909 40.7346 173.5925 103 Q 4.4594 8.6520 123.5411 56.1446 30.0695 174.3263 104 I 5.1313 8.7518 120.6947 59.0471 41.5288 174.4075 105 F 5.1275 9.1267 121.6385 55.0319 42.2537 172.9105 106 P 4.7659 0.0000 0.0000 62.3157 31.0012 175.4192 107 R 4.2266 8.9296 126.6489 57.1630 29.6106 174.7640 108 S 4.9436 7.8881 118.0472 56.1864 64.2709 174.0420 109 G 4.2709 8.2901 113.0736 42.7114 0.0000 171.1911 110 P 4.3239 0.0000 0.0000 65.7479 31.6258 177.4535 111 S 4.2763 7.9002 114.6901 58.1357 63.3202 174.2859 112 S 4.9728 7.8386 113.5523 58.4429 63.3076 177.1487 113 G 3.7631 8.3639 113.0111 45.0703 0.0000 171.2002 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 G 8.35 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 2 S 8.60 4.34 0.00 3.98 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 3 S 8.60 4.12 0.00 3.84 3.80 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 0.00 0.00 0.00 4 G 8.79 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 0.00 0.00 0.00 5 S 7.92 4.15 0.00 4.02 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 6 S 9.13 3.43 0.00 4.13 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 7 G 8.24 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 0.00 0.00 0.00 0.00 8 P 0.00 4.68 0.00 2.25 2.14 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 9 F 7.84 4.56 0.00 2.79 3.01 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 10 C 8.35 3.60 0.00 3.14 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 11 A 8.14 4.51 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 12 M 7.80 4.22 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 13 E 9.08 4.04 0.00 1.93 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 0.00 2.27 2.26 0.00 14 N 7.73 4.42 0.00 2.45 2.45 0.00 0.00 6.79 6.94 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 15 Q 8.48 3.99 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 16 V 7.99 3.85 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 0.45 0.00 0.00 0.81 0.00 0.00 17 L 9.24 4.85 0.00 1.75 1.36 0.36 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.10 4.37 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 1.12 0.00 0.00 0.89 0.00 0.00 19 I 7.93 4.42 1.89 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.18 0.93 0.00 0.00 20 R 8.58 4.87 0.00 1.84 1.77 0.00 3.07 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 21 I 8.56 4.34 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.86 0.00 0.00 22 K 8.60 4.04 0.00 1.08 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.07 1.37 7.81 23 I 8.19 4.24 2.09 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 1.53 0.78 0.91 0.00 0.00 24 P 0.00 4.27 0.00 2.20 2.12 0.00 3.92 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 2.00 2.01 0.00 25 N 8.69 4.18 0.00 2.82 2.87 0.00 0.00 7.07 7.58 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 26 S 7.90 4.87 0.00 3.98 3.80 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 0.00 0.00 0.00 27 G 7.92 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 28 A 8.30 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.38 4.45 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 1.03 0.00 0.00 0.92 0.00 0.00 30 D 8.60 5.24 0.00 2.71 2.66 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 31 W 9.39 4.68 0.00 3.25 3.07 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 32 T 8.75 4.04 4.25 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 1.33 0.00 0.00 33 V 8.28 3.83 1.62 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 0.39 0.00 0.00 -1.24 0.00 0.00 34 H 8.88 4.03 0.00 3.10 3.28 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.69 4.58 0.00 3.87 3.92 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 0.00 0.00 0.00 36 G 8.15 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 37 P 0.00 4.45 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 38 Q 7.43 4.33 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 39 L 7.58 4.83 0.00 1.79 1.61 1.01 0.85 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 40 L 8.14 4.97 0.00 1.80 1.65 0.99 1.10 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 41 F 8.45 4.54 0.00 2.98 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 42 R 8.32 3.78 0.00 1.91 1.99 0.00 3.41 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 43 D 8.28 4.71 0.00 3.20 3.07 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 44 V 7.48 3.34 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 0.16 0.00 0.00 1.11 0.00 0.00 45 L 7.41 3.51 0.00 1.67 1.55 0.90 -0.16 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 46 D 8.64 4.26 0.00 2.53 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 47 V 7.31 3.28 0.75 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 -0.34 0.00 0.00 -0.63 0.00 0.00 48 I 8.01 3.60 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.84 0.00 0.00 49 G 7.92 3.26 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 0.00 50 Q 8.69 4.11 0.00 1.81 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 51 V 7.32 3.83 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 0.91 0.00 0.00 0.80 0.00 0.00 52 L 8.39 4.70 0.00 1.62 1.71 0.89 0.97 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 53 P 0.00 4.44 0.00 2.15 2.23 0.00 3.32 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 54 E 8.08 4.35 0.00 1.96 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 2.22 2.27 0.00 55 A 7.57 4.36 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 56 T 8.36 4.06 4.25 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 1.22 0.00 0.00 57 T 7.20 4.99 4.23 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 1.39 0.00 0.00 58 T 8.25 3.73 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 1.31 0.00 0.00 59 A 7.53 5.45 1.36 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 60 F 7.93 6.05 0.00 3.23 3.17 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 61 E 9.44 5.88 0.00 1.99 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 2.33 2.14 0.00 62 Y 7.95 5.65 0.00 3.13 3.22 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 63 E 9.35 4.06 0.00 2.06 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 2.33 2.35 0.00 64 D 8.04 3.63 0.00 2.26 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 0.00 0.00 0.00 0.00 65 E 8.95 4.27 0.00 2.26 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 2.36 2.40 0.00 66 D 8.12 4.64 0.00 2.65 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 67 G 7.21 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 0.00 0.00 0.00 68 D 7.62 4.39 0.00 2.53 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.60 3.38 0.00 1.81 1.76 0.00 2.88 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 70 I 7.52 4.04 0.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.07 0.78 0.00 0.00 71 T 8.05 4.92 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 1.14 0.00 0.00 72 V 8.85 4.12 0.73 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 0.84 0.00 0.00 1.01 0.00 0.00 73 R 9.82 4.42 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 74 S 6.79 4.07 0.00 3.78 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 75 D 8.68 4.39 0.00 2.85 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 76 E 7.74 3.90 0.00 2.05 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 2.29 2.35 0.00 77 E 8.27 3.97 0.00 1.97 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 2.40 2.29 0.00 78 M 8.08 4.10 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.22 3.14 0.00 79 K 8.36 3.86 0.00 1.77 1.96 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 80 A 7.68 4.13 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 81 M 8.39 3.15 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.93 0.00 82 L 8.16 3.54 0.00 1.62 1.37 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.09 4.29 0.00 4.12 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 84 Y 7.66 4.22 0.00 3.17 3.07 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 85 Y 7.89 3.85 0.00 2.96 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 86 Y 7.49 4.14 0.00 3.05 2.84 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 87 S 7.55 4.14 0.00 4.14 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 88 T 7.98 4.02 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 89 V 8.24 3.30 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 0.85 0.00 0.00 -0.36 0.00 0.00 90 M 7.85 3.92 0.00 2.46 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 91 E 8.07 4.03 0.00 2.09 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 2.29 2.39 0.00 92 Q 8.20 4.08 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 93 Q 7.66 4.00 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 94 V 7.39 3.74 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 0.70 0.00 0.00 0.98 0.00 0.00 95 N 7.88 4.55 0.00 2.92 2.84 0.00 0.00 7.07 6.99 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 96 G 7.64 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 0.00 0.00 0.00 0.00 97 Q 7.59 3.98 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 98 L 8.11 4.22 0.00 1.65 1.63 0.92 0.84 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 99 I 8.02 3.93 1.84 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 0.67 0.78 0.00 0.00 100 E 8.26 4.78 0.00 1.99 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 2.23 2.24 0.00 101 P 0.00 4.61 0.00 2.09 2.07 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 102 L 8.74 4.23 0.00 0.56 1.20 0.91 0.22 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 0.00 103 Q 8.65 4.46 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 104 I 8.75 5.13 2.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 1.03 0.00 0.00 105 F 9.13 5.13 0.00 3.06 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 0.00 106 P 0.00 4.77 0.00 2.11 2.13 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 107 R 8.93 4.23 0.00 2.06 2.02 0.00 3.12 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 108 S 7.89 4.94 0.00 3.88 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 0.00 109 G 8.29 4.27 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 0.00 110 P 0.00 4.32 0.00 2.19 2.19 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 111 S 7.90 4.28 0.00 3.89 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 0.00 112 S 7.84 4.97 0.00 3.79 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 0.00 113 G 8.36 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