NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9010 8.3549 109.7406 45.3312 0.0000 173.0046 1 R 3.9926 7.9119 117.7216 52.8736 31.0934 174.1844 2 P 4.0919 0.0000 0.0000 62.4932 32.6600 175.8766 3 I 4.5333 7.6122 119.2188 59.6930 40.4996 175.0051 4 L 4.6926 8.4968 125.0298 53.5944 43.4119 175.5906 5 E 4.6753 9.2930 124.3982 54.4840 31.9390 174.8860 6 V 4.9589 8.2586 126.3058 60.5555 33.9476 173.0614 7 P 4.4177 0.0000 0.0000 62.5919 32.0314 176.7007 8 E 4.2042 8.8360 122.5515 59.4025 30.5294 176.2842 9 S 4.9782 7.5531 108.1752 56.9963 66.0405 173.5538 10 V 4.6454 8.6200 122.7628 61.5363 35.2542 174.1393 11 T 5.1713 8.5516 121.1216 61.8755 72.0865 173.5202 12 G 4.3762 9.0059 111.3470 43.5831 0.0000 169.9967 13 P 4.9515 0.0000 0.0000 61.9355 32.3303 175.6349 14 W 4.6480 8.9999 134.9467 59.0065 30.6715 176.3731 15 K 3.5976 8.6506 121.2992 56.8937 30.9529 175.3387 16 G 4.7099 7.7379 107.2361 45.0361 0.0000 172.5626 17 D 5.5808 8.4958 119.0757 53.2513 43.7364 175.9443 18 V 4.5469 8.2359 118.4949 60.6206 35.2952 172.7193 19 N 5.0070 8.5311 119.6050 51.8367 41.9035 173.3310 20 L 4.5915 8.8937 126.4862 52.4174 43.4784 174.0435 21 P 4.7680 0.0000 0.0000 62.5448 32.5909 177.2776 22 C 5.1367 10.1207 125.0932 55.7010 45.4239 172.5467 23 T 5.7216 9.0565 116.7504 60.1457 72.0004 172.5178 24 Y 5.3181 8.9398 120.6196 55.5189 42.0850 174.0036 25 D 4.6141 8.7488 121.5222 52.9131 41.4027 174.9555 26 P 4.5732 0.0000 0.0000 63.0426 31.9924 175.4885 27 L 4.8574 7.9827 118.2329 52.9493 45.7664 176.4585 28 Q 4.0140 8.5656 120.0322 57.3986 29.4131 176.8213 29 G 3.7327 8.9487 108.8227 46.4119 0.0000 172.9164 30 Y 4.9249 7.2888 117.0395 55.9328 38.5674 173.4459 31 T 4.4019 8.6169 119.3114 63.2935 70.2032 173.6070 32 Q 4.3302 9.0564 128.0207 56.1973 29.2864 175.6416 33 V 4.4612 8.4308 118.3705 61.1271 34.4361 175.7158 34 L 4.6131 7.4233 121.9720 53.8514 45.5031 173.7723 35 V 4.6823 8.6118 126.1010 61.1125 34.6850 174.3010 36 K 4.9999 8.6296 127.4348 54.9251 35.9155 174.4610 37 W 5.2943 9.0968 127.3299 54.9696 31.8547 174.8910 38 L 5.4804 9.1710 123.9509 52.8179 45.3334 175.6624 39 V 4.3329 8.5253 120.7800 59.9289 34.4301 175.0134 40 Q 4.2874 8.9213 126.4727 54.9231 28.2635 174.4364 41 R 4.1050 8.2939 125.6428 56.9691 27.0799 176.1644 42 G 3.8740 7.7227 106.8579 46.2493 0.0000 172.2968 43 S 3.9698 7.4181 115.3264 58.4884 63.4013 174.0930 44 D 5.4591 7.3097 118.9743 52.6970 41.5050 173.3944 45 P 4.7734 0.0000 0.0000 62.6867 32.9885 175.7223 46 V 4.4212 8.3343 120.0715 61.3844 34.9605 174.3939 47 T 4.4070 8.8123 125.3964 64.1344 68.3096 173.7837 48 I 4.3555 9.4679 120.8486 61.3139 40.1294 175.2801 49 F 5.5577 7.9631 122.7116 55.3777 43.7806 174.0069 50 L 4.3116 5.8821 122.3934 54.1785 45.2186 173.3184 51 R 5.1246 8.7163 127.7748 54.6679 33.2824 174.2016 52 D 4.8434 8.9711 124.5796 52.4921 42.7557 176.0027 53 S 4.1059 8.9212 112.8895 61.8257 62.8792 176.1677 54 S 4.2942 8.5284 115.0473 59.2031 63.8333 174.8076 55 G 3.8112 7.0551 108.8567 45.6546 0.0000 170.5166 56 D 5.1010 8.0344 122.5784 53.6942 42.9718 176.4999 57 H 4.6423 8.0612 118.1878 54.7000 33.0942 172.4631 58 I 4.6587 8.5098 125.1174 60.2163 37.9445 175.6614 59 Q 4.6681 8.9517 125.8387 55.5351 29.9797 175.8878 60 Q 4.4798 7.8727 119.0647 54.5262 32.5324 175.5206 61 A 4.1382 8.8622 126.7760 54.6649 18.6504 178.6980 62 K 4.1475 8.0004 113.0881 58.4417 33.0142 176.9481 63 Y 4.5751 7.7686 116.8080 57.9413 39.2039 175.4886 64 Q 4.1665 7.7251 119.9642 57.7547 28.9713 175.2754 65 G 4.1407 9.2018 111.3721 45.5332 0.0000 173.9489 66 R 4.5728 7.8663 115.6131 55.1652 30.5844 175.1583 67 L 5.1461 7.5200 119.9587 53.5359 44.9243 175.2672 68 H 4.7793 8.7298 121.6822 54.2826 33.7359 172.3887 69 V 4.4580 7.8851 122.2774 60.7489 33.1977 174.7125 70 S 4.2491 8.2552 123.1773 58.8742 63.0813 174.6703 71 H 4.8558 8.4845 118.3460 56.3223 28.4610 174.3597 72 K 4.0364 7.3459 118.9892 58.5445 33.1222 176.6690 73 V 3.6122 7.4203 117.3353 62.1428 32.1796 174.1796 74 P 4.4783 0.0000 0.0000 63.8080 31.5931 175.8614 75 G 3.0680 8.6017 110.3044 45.5311 0.0000 172.3012 76 D 5.1870 8.0068 119.6096 52.9738 41.4226 176.1226 77 V 4.7483 8.3310 123.4322 61.1244 32.3077 176.7944 78 S 4.7486 8.3808 115.9728 58.6615 64.5271 173.3757 79 L 4.6785 8.6687 124.0059 53.1634 44.7628 175.0626 80 Q 4.9649 9.0749 125.1698 53.2589 31.5748 174.4343 81 L 5.0979 8.2742 124.5529 53.3727 43.8994 175.8460 82 S 4.9895 8.6768 117.2166 56.2301 65.9308 173.4300 83 T 3.7913 8.3036 115.4809 63.5644 65.3178 172.5866 84 L 4.2496 8.3429 122.7236 55.1643 42.8865 177.2812 85 E 5.1888 8.8584 122.6020 54.6566 32.0169 177.1071 86 M 4.0279 8.8017 120.6065 58.6165 32.1614 178.3874 87 D 4.5129 8.0601 116.5385 56.5167 41.5851 176.7282 88 D 4.6307 8.2417 118.4507 56.8211 41.0499 176.4836 89 R 4.1301 7.5978 117.9034 57.4760 30.6446 176.1859 90 S 4.7157 8.2235 118.1199 58.3810 67.3555 175.2013 91 H 5.2200 8.2098 119.6394 55.4772 29.9143 174.1272 92 Y 5.2385 9.5759 121.6098 56.5593 40.8539 174.7646 93 T 5.0299 9.2212 120.4754 61.9328 71.5677 172.1594 94 C 3.4452 8.4689 126.7435 54.3609 43.4915 172.0887 95 E 4.7491 8.3816 126.4961 54.7481 32.4868 173.9214 96 V 4.3892 8.3295 127.1329 61.1807 34.8674 174.5550 97 T 4.7312 7.4628 121.2484 61.6583 71.8985 173.0504 98 W 5.3047 9.1604 126.6674 55.1566 32.6519 174.7246 99 Q 5.2180 9.5630 124.4784 54.7935 30.9349 174.2805 100 T 5.2474 8.8317 116.4751 58.4605 70.6487 173.8792 101 P 4.3793 0.0000 0.0000 66.0331 31.1937 177.1406 102 D 4.4342 7.9882 117.5301 54.7314 39.7856 176.2795 103 G 3.8344 7.8972 115.4655 45.9933 0.0000 173.4286 104 N 4.6538 7.8993 118.3847 53.3680 39.7646 174.5831 105 Q 5.3078 8.5590 119.4417 54.6147 31.4988 175.4766 106 V 4.6800 9.0539 114.3490 59.6814 36.1632 174.7342 107 V 4.8479 8.4917 122.5673 61.2957 34.2269 174.8649 108 R 4.9655 8.9211 125.2779 54.6691 34.4796 173.8218 109 D 5.1638 8.5035 120.2382 52.1850 42.9984 174.2133 110 K 4.6156 8.9495 119.8621 55.2980 36.2515 174.3966 111 I 4.9503 8.3841 127.0337 60.0492 38.9214 174.7738 112 T 4.6260 9.2142 122.3039 60.3505 70.4185 172.9701 113 E 4.6517 8.4879 129.0317 54.5400 30.5318 174.4762 114 L 4.6836 8.9010 130.8449 54.9357 43.4261 175.8096 115 R 4.7390 9.1552 125.1491 54.3304 33.8021 175.0248 116 V 4.8150 8.2858 121.0950 61.4187 33.9637 174.5005 117 Q 4.5006 9.1279 128.2733 54.1282 30.5631 176.2922 118 K 4.2473 8.5425 123.8773 56.7441 32.2930 176.3090 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 0 G 8.35 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 1 R 7.91 3.99 0.00 1.71 1.50 0.00 3.32 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 2 P 0.00 4.09 0.00 0.49 1.09 0.00 2.50 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.62 0.00 3 I 7.61 4.53 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 0.91 0.00 0.00 4 L 8.50 4.69 0.00 1.55 1.62 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.29 4.68 0.00 2.03 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 2.23 2.25 0.00 6 V 8.26 4.96 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 0.96 0.00 0.00 1.02 0.00 0.00 7 P 0.00 4.42 0.00 2.35 1.99 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 8 E 8.84 4.20 0.00 2.08 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 2.41 2.35 0.00 9 S 7.55 4.98 0.00 3.90 3.67 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 0.00 0.00 0.00 0.00 10 V 8.62 4.65 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 1.01 0.00 0.00 0.95 0.00 0.00 11 T 8.55 5.17 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 12 G 9.01 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 0.00 0.00 0.00 0.00 13 P 0.00 4.95 0.00 2.15 2.24 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 14 W 9.00 4.65 0.00 3.26 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 15 K 8.65 3.60 0.00 1.64 1.57 0.00 1.20 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.53 0.21 7.81 16 G 7.74 4.71 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 0.00 17 D 8.50 5.58 0.00 2.57 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 18 V 8.24 4.55 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 0.65 0.00 0.00 0.87 0.00 0.00 19 N 8.53 5.01 0.00 2.61 2.63 0.00 0.00 6.89 7.78 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 20 L 8.89 4.59 0.00 1.27 1.58 0.29 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.77 0.00 2.00 2.02 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 22 C 10.12 5.14 0.00 3.25 3.38 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 23 T 9.06 5.72 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 1.29 0.00 0.00 24 Y 8.94 5.32 0.00 3.18 3.10 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 25 D 8.75 4.61 0.00 2.69 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 26 P 0.00 4.57 0.00 2.03 2.04 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 27 L 7.98 4.86 0.00 1.71 1.70 0.74 0.94 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 28 Q 8.57 4.01 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 G 8.95 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 Y 7.29 4.92 0.00 3.15 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 31 T 8.62 4.40 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 1.30 0.00 0.00 32 Q 9.06 4.33 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 33 V 8.43 4.46 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 0.75 0.00 0.00 0.95 0.00 0.00 34 L 7.42 4.61 0.00 1.64 1.31 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.61 4.68 2.28 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 1.08 0.00 0.00 0.96 0.00 0.00 36 K 8.63 5.00 0.00 1.74 1.46 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.39 7.81 37 W 9.10 5.29 0.00 3.44 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 38 L 9.17 5.48 0.00 1.61 1.52 0.92 0.75 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 39 V 8.53 4.33 1.58 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 0.73 0.00 0.00 0.37 0.00 0.00 40 Q 8.92 4.29 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 41 R 8.29 4.11 0.00 1.81 1.86 0.00 3.47 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 42 G 7.72 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 43 S 7.42 3.97 0.00 3.83 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 44 D 7.31 5.46 0.00 2.62 2.56 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 45 P 0.00 4.77 0.00 2.06 2.07 0.00 3.44 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 1.96 2.18 0.00 46 V 8.33 4.42 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 1.08 0.00 0.00 0.94 0.00 0.00 47 T 8.81 4.41 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 1.24 0.00 0.00 48 I 9.47 4.36 1.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.50 0.90 0.00 0.00 49 F 7.96 5.56 0.00 3.13 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 50 L 5.88 4.31 0.00 1.66 1.20 0.84 0.58 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 51 R 8.72 5.12 0.00 2.05 1.84 0.00 3.34 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 52 D 8.97 4.84 0.00 2.78 2.68 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 53 S 8.92 4.11 0.00 4.00 4.08 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 54 S 8.53 4.29 0.00 4.04 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 55 G 7.06 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 56 D 8.03 5.10 0.00 2.61 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 57 H 8.06 4.64 0.00 2.98 3.06 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.51 4.66 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 1.13 0.00 0.00 59 Q 8.95 4.67 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 60 Q 7.87 4.48 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 61 A 8.86 4.14 1.32 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 62 K 8.00 4.15 0.00 1.64 1.79 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.57 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.95 0.29 7.81 63 Y 7.77 4.58 0.00 3.26 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 64 Q 7.73 4.17 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 65 G 9.20 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 0.00 0.00 0.00 66 R 7.87 4.57 0.00 1.98 2.13 0.00 3.28 0.00 0.00 3.16 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 67 L 7.52 5.15 0.00 1.76 1.50 0.68 0.80 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 68 H 8.73 4.78 0.00 3.02 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.89 4.46 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 0.89 0.00 0.00 -0.21 0.00 0.00 70 S 8.26 4.25 0.00 3.95 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 71 H 8.48 4.86 0.00 3.30 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.35 4.04 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.63 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.29 7.81 73 V 7.42 3.61 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 0.96 0.00 0.00 0.91 0.00 0.00 74 P 0.00 4.48 0.00 2.05 2.02 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 75 G 8.60 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 0.00 0.00 0.00 76 D 8.01 5.19 0.00 2.62 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 77 V 8.33 4.75 2.28 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 0.94 0.00 0.00 1.13 0.00 0.00 78 S 8.38 4.75 0.00 3.76 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 79 L 8.67 4.68 0.00 0.27 0.13 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 9.07 4.96 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 81 L 8.27 5.10 0.00 1.50 1.53 0.55 1.02 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 82 S 8.68 4.99 0.00 3.95 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 83 T 8.30 3.79 4.21 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 1.13 0.00 0.00 84 L 8.34 4.25 0.00 1.95 1.71 0.95 1.00 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 85 E 8.86 5.19 0.00 2.09 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 2.28 2.41 0.00 86 M 8.80 4.03 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.11 0.00 87 D 8.06 4.51 0.00 2.64 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 88 D 8.24 4.63 0.00 2.95 2.87 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 89 R 7.60 4.13 0.00 1.84 1.97 0.00 3.21 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 90 S 8.22 4.72 0.00 3.95 3.64 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 91 H 8.21 5.22 0.00 3.17 3.27 0.00 5.82 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 9.58 5.24 0.00 3.01 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 93 T 9.22 5.03 4.24 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 1.11 0.00 0.00 94 C 8.47 3.45 0.00 1.41 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 95 E 8.38 4.75 0.00 1.85 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 2.00 2.10 0.00 96 V 8.33 4.39 1.01 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 -0.41 0.00 0.00 0.64 0.00 0.00 97 T 7.46 4.73 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 1.13 0.00 0.00 98 W 9.16 5.30 0.00 3.46 3.23 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 99 Q 9.56 5.22 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 100 T 8.83 5.25 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 1.24 0.00 0.00 101 P 0.00 4.38 0.00 2.16 2.24 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 102 D 7.99 4.43 0.00 2.80 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 0.00 103 G 7.90 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 0.00 104 N 7.90 4.65 0.00 2.68 2.78 0.00 0.00 6.81 7.57 0.00 0.00 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 8.56 5.31 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 106 V 9.05 4.68 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 0.83 0.00 0.00 1.20 0.00 0.00 107 V 8.49 4.85 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 0.75 0.00 0.00 0.90 0.00 0.00 108 R 8.92 4.97 0.00 1.95 1.80 0.00 3.30 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 109 D 8.50 5.16 0.00 2.59 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 0.00 110 K 8.95 4.62 0.00 1.77 1.61 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 111 I 8.38 4.95 1.93 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 1.25 0.75 1.02 0.00 0.00 112 T 9.21 4.63 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 1.49 0.00 0.00 113 E 8.49 4.65 0.00 1.95 1.81 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 1.72 2.19 0.00 114 L 8.90 4.68 0.00 1.74 1.89 0.82 0.67 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 0.00 115 R 9.16 4.74 0.00 1.90 1.78 0.00 3.12 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 116 V 8.29 4.81 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 0.94 0.00 0.00 0.99 0.00 0.00 117 Q 9.13 4.50 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 118 K 8.54 4.25 0.00 1.51 1.63 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.41 7.81