NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4435 8.2893 118.1932 55.1421 32.4714 174.6919 2 I 3.8273 8.0444 111.5523 58.3736 38.5396 173.2499 3 P 4.6058 0.0000 0.0000 62.5497 33.5743 178.1749 4 G 4.1035 8.7249 104.6496 41.3091 0.0000 172.5503 5 G 3.7830 7.3103 107.7555 46.1459 0.0000 168.9196 6 L 4.3771 7.7979 120.7347 53.7440 43.5082 176.3751 7 S 4.5591 8.0180 114.8729 58.4106 65.3046 173.9855 8 E 4.3529 8.3454 128.0755 55.8390 28.4926 178.9471 9 A 4.3067 7.9793 117.2803 51.0396 21.7108 175.4725 10 K 4.6591 7.9173 121.3895 53.5003 36.3953 174.1102 11 P 5.0247 0.0000 0.0000 63.0450 32.4489 175.2822 12 A 4.9518 8.4483 122.5158 51.1563 20.6686 177.9793 13 T 4.4343 8.2345 120.4777 61.9499 72.2701 173.4805 14 P 4.3003 0.0000 0.0000 66.2442 31.3192 178.1576 15 E 3.8712 8.0441 116.9575 59.5276 29.4032 179.1429 16 I 3.4975 7.5520 120.9149 63.6104 37.2238 177.8883 17 Q 4.0112 8.0299 119.9103 58.3778 28.7523 177.8236 18 E 4.0076 8.0105 119.9821 59.1062 29.7983 178.5076 19 I 3.5159 7.9425 120.4218 64.5534 36.9428 178.4907 20 V 3.6429 7.4311 118.3737 66.2038 31.3046 177.7261 21 D 4.4334 7.6512 116.3207 56.4686 40.6399 178.6490 22 K 4.0747 7.9687 120.4701 58.8290 32.3626 177.4678 23 V 4.3289 7.2492 114.6074 62.0846 32.9981 176.8528 24 K 4.0213 9.8217 120.5446 59.2200 31.8412 176.9017 25 P 4.1989 0.0000 0.0000 65.9575 31.1831 178.2806 26 Q 3.9165 7.9632 118.0513 58.3186 29.2521 177.0908 27 L 4.1801 8.9448 122.4386 58.4617 41.7148 178.7942 28 E 4.4085 8.5595 119.7973 58.7521 29.2337 178.2758 29 E 4.3309 8.0469 115.8653 56.4614 29.6628 177.4803 30 K 4.3361 7.9084 117.6489 58.9803 32.8935 178.2938 31 T 4.4971 7.7005 112.8731 63.3464 68.7483 174.2010 32 N 4.1904 7.9587 115.7464 53.5141 36.6878 172.8783 33 E 4.4191 7.6600 118.2369 55.6261 31.2627 174.7505 34 T 4.9817 7.8624 121.0061 61.4198 71.0452 172.5754 35 Y 4.7355 10.5110 120.3562 60.2282 39.8405 176.7984 36 G 3.0703 9.4688 109.1317 45.2604 0.0000 172.5565 37 K 3.7212 7.9313 123.1963 56.1579 28.4141 175.2361 38 L 4.6373 7.8225 122.1517 53.8455 42.3805 176.2358 39 E 4.8662 7.9331 116.0184 54.2453 32.9599 174.8343 40 A 4.4313 8.3985 123.9036 52.1270 18.8650 177.4984 41 V 4.3380 9.4309 122.0558 63.8603 34.5642 174.8811 42 Q 4.9831 7.3541 117.4761 55.7039 33.9761 172.0880 43 Y 4.8462 8.4461 116.7945 58.5038 41.7147 171.6740 44 K 4.4788 9.0069 118.4898 56.9719 38.2320 174.8083 45 T 4.5658 7.9621 112.5091 61.9286 71.5505 174.3844 46 Q 4.7829 9.2372 126.5916 56.0048 31.9427 175.9471 47 V 4.2248 8.0993 116.8337 62.7756 34.1158 172.2734 48 V 4.2901 7.7885 132.7276 62.4769 32.2176 175.4327 49 A 4.6602 8.7780 115.2933 50.8538 19.7317 179.7750 50 G 4.5633 7.2376 117.3266 47.7642 0.0000 177.1254 51 T 4.4580 8.2421 127.9275 62.7279 71.7649 171.2089 52 N 5.5535 8.9456 124.6093 52.7710 40.7074 174.0767 53 Y 4.7700 8.8553 117.8753 56.5047 42.2131 174.4134 54 Y 4.8609 8.7970 120.6324 56.3514 42.0828 173.8404 55 I 5.0954 8.7526 128.3914 59.4347 40.1426 174.9225 56 K 4.3487 9.7614 130.3596 55.6752 33.0613 175.4359 57 V 4.8026 8.0653 127.6931 61.2796 33.9552 175.4676 58 R 4.1693 9.8898 127.3655 55.4591 31.8674 176.2244 59 A 4.6793 8.1136 121.3026 50.0341 19.4528 175.6176 60 G 3.7858 9.1251 107.9940 45.3626 0.0000 173.3315 61 D 4.4834 8.4212 116.1338 54.4781 38.5688 173.1483 62 N 4.7294 7.4637 115.4112 53.9683 45.7800 175.0691 63 K 4.4178 7.4300 117.3053 55.9183 34.7642 174.7301 64 Y 4.9262 8.0255 116.9329 58.0188 43.2851 173.3998 65 L 5.1535 9.1010 118.7032 56.0894 47.1298 174.6528 66 H 4.9440 8.3898 115.3491 55.9244 32.3583 173.2989 67 L 5.3523 8.8680 123.1029 52.7995 46.2294 175.8008 68 K 4.6553 8.0716 120.1919 55.0465 33.8013 177.2234 69 V 4.6122 7.8145 120.2126 62.3240 32.8921 171.1679 70 F 4.9557 10.0119 128.2484 57.5832 41.4607 173.9642 71 K 4.4376 8.8426 127.5815 52.9008 33.2640 177.2615 72 S 4.4122 7.1987 124.6441 57.4410 64.8310 176.3291 73 L 4.8787 8.8131 118.2631 51.8063 45.8185 175.5031 74 P 4.1651 0.0000 0.0000 66.0747 31.3142 178.9016 75 G 3.8494 8.1027 106.2241 46.9363 0.0000 172.7529 76 Q 4.3888 7.5220 117.9492 55.5925 31.8612 173.9787 77 N 5.1115 7.5081 114.0432 55.6721 38.6149 177.8371 78 E 3.6656 8.5793 119.2239 58.3600 30.6012 177.7549 79 D 4.4329 7.9206 120.1698 53.9510 42.5592 176.5440 80 L 4.7785 8.0738 119.7019 54.4653 43.7774 176.3335 81 V 4.4396 8.4801 117.8525 62.0759 35.4438 172.2268 82 L 4.6375 8.6602 129.5989 54.8996 42.4874 176.4802 83 T 4.2541 8.7450 122.5177 63.1700 69.5606 175.2590 84 G 4.0741 6.9818 115.7068 45.4063 0.0000 171.2146 85 Y 5.3340 6.9246 118.9068 56.5271 40.9340 173.8467 86 Q 5.0386 9.1579 116.1184 54.6731 33.6808 177.0784 87 V 4.2901 8.3963 112.6242 60.8538 34.5675 178.9634 88 D 5.2995 8.5210 126.1301 54.5090 39.2530 176.6160 89 K 4.3934 7.6069 119.3418 56.3973 33.1932 174.7027 90 N 5.0984 7.9467 116.1583 52.9051 42.2252 173.4677 91 K 3.9901 8.6601 118.2626 59.2702 32.5260 177.5322 92 D 4.7499 7.8151 116.5887 54.2977 40.9517 176.1329 93 D 4.6231 7.7804 119.8748 53.6813 42.0852 175.0001 94 E 4.5743 8.2318 120.3891 54.9271 31.4424 175.0657 95 L 4.1590 7.9494 119.6903 55.4060 44.2957 177.3606 96 T 4.3003 7.7000 113.8418 63.3473 70.0538 173.7309 97 G 4.1653 8.6842 108.0732 46.8224 0.0000 173.0920 98 F 4.3858 8.2261 125.8158 57.9835 39.7860 173.9487 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 M 8.29 4.44 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 I 8.04 3.83 1.86 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 1.46 0.70 0.91 0.00 0.00 3 P 0.00 4.61 0.00 2.18 2.12 0.00 3.70 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 1.97 1.94 0.00 4 G 8.72 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 0.00 0.00 0.00 5 G 7.31 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 6 L 7.80 4.38 0.00 1.55 1.56 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.02 4.56 0.00 3.92 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 8 E 8.35 4.35 0.00 1.89 1.52 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 2.22 2.25 0.00 9 A 7.98 4.31 1.07 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 10 K 7.92 4.66 0.00 1.13 1.53 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.16 7.81 11 P 0.00 5.02 0.00 2.14 2.09 0.00 3.71 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 2.05 2.00 0.00 12 A 8.45 4.95 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 13 T 8.23 4.43 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 1.24 0.00 0.00 14 P 0.00 4.30 0.00 2.25 2.30 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 15 E 8.04 3.87 0.00 2.18 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 0.00 2.27 2.31 0.00 16 I 7.55 3.50 1.86 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 -0.11 0.23 0.00 0.00 17 Q 8.03 4.01 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 18 E 8.01 4.01 0.00 2.19 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 2.29 2.51 0.00 19 I 7.94 3.52 1.85 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.78 0.00 0.00 20 V 7.43 3.64 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 1.00 0.00 0.00 21 D 7.65 4.43 0.00 2.85 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 22 K 7.97 4.07 0.00 1.75 1.90 0.00 1.53 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 23 V 7.25 4.33 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 1.04 0.00 0.00 0.90 0.00 0.00 24 K 9.82 4.02 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.66 7.81 25 P 0.00 4.20 0.00 2.30 2.28 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 26 Q 7.96 3.92 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 27 L 8.94 4.18 0.00 1.87 1.89 1.17 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.56 4.41 0.00 2.15 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 0.00 2.04 2.40 0.00 29 E 8.05 4.33 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 2.29 2.32 0.00 30 K 7.91 4.34 0.00 2.04 1.92 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.70 7.81 31 T 7.70 4.50 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 1.37 0.00 0.00 32 N 7.96 4.19 0.00 2.85 2.88 0.00 0.00 6.06 7.66 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 33 E 7.66 4.42 0.00 2.08 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 2.07 2.08 0.00 34 T 7.86 4.98 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 1.23 0.00 0.00 35 Y 10.51 4.74 0.00 3.01 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 36 G 9.47 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 37 K 7.93 3.72 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.35 7.81 38 L 7.82 4.64 0.00 1.81 1.62 0.95 0.63 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 39 E 7.93 4.87 0.00 1.85 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 2.13 2.22 0.00 40 A 8.40 4.43 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 41 V 9.43 4.34 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 1.00 0.00 0.00 1.20 0.00 0.00 42 Q 7.35 4.98 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.41 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 43 Y 8.45 4.85 0.00 3.33 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 44 K 9.01 4.48 0.00 1.70 1.57 0.00 1.42 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.54 7.81 45 T 7.96 4.57 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 1.15 0.00 0.00 46 Q 9.24 4.78 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 47 V 8.10 4.22 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 48 V 7.79 4.29 1.94 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 0.75 0.00 0.00 0.88 0.00 0.00 49 A 8.78 4.66 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 50 G 7.24 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 51 T 8.24 4.46 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 0.85 0.00 0.00 52 N 8.95 5.55 0.00 2.78 2.83 0.00 0.00 6.71 6.81 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 53 Y 8.86 4.77 0.00 3.08 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 54 Y 8.80 4.86 0.00 3.17 2.80 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 55 I 8.75 5.10 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 1.09 0.00 0.00 56 K 9.76 4.35 0.00 1.79 1.83 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.07 7.81 57 V 8.07 4.80 2.01 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 0.90 0.00 0.00 0.94 0.00 0.00 58 R 9.89 4.17 0.00 1.70 1.84 0.00 3.07 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.00 59 A 8.11 4.68 1.11 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 60 G 9.13 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 61 D 8.42 4.48 0.00 2.79 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 62 N 7.46 4.73 0.00 2.79 2.74 0.00 0.00 6.89 7.50 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 63 K 7.43 4.42 0.00 1.65 1.72 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 Y 8.03 4.93 0.00 2.88 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 65 L 9.10 5.15 0.00 1.56 1.30 0.77 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.39 4.94 0.00 3.16 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.87 5.35 0.00 1.65 1.70 0.85 0.43 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 68 K 8.07 4.66 0.00 2.10 1.83 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.48 1.42 7.81 69 V 7.81 4.61 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 0.67 0.00 0.00 0.97 0.00 0.00 70 F 10.01 4.96 0.00 3.13 3.12 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 71 K 8.84 4.44 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.23 7.81 72 S 7.20 4.41 0.00 3.80 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 73 L 8.81 4.88 0.00 1.58 1.54 0.96 1.10 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 74 P 0.00 4.17 0.00 2.21 2.29 0.00 3.71 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 2.07 1.96 0.00 75 G 8.10 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 76 Q 7.52 4.39 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.38 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 77 N 7.51 5.11 0.00 2.83 2.93 0.00 0.00 5.72 7.68 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 78 E 8.58 3.67 0.00 1.95 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 0.00 2.25 2.47 0.00 79 D 7.92 4.43 0.00 2.69 2.65 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 80 L 8.07 4.78 0.00 1.46 1.52 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.48 4.44 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 1.05 0.00 0.00 0.96 0.00 0.00 82 L 8.66 4.64 0.00 1.75 1.67 1.17 1.28 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 83 T 8.74 4.25 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 1.06 0.00 0.00 84 G 6.98 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 85 Y 6.92 5.33 0.00 3.00 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 86 Q 9.16 5.04 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.24 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 87 V 8.40 4.29 2.23 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 1.07 0.00 0.00 1.05 0.00 0.00 88 D 8.52 5.30 0.00 2.70 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 89 K 7.61 4.39 0.00 1.83 1.98 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.75 1.47 7.81 90 N 7.95 5.10 0.00 2.94 2.71 0.00 0.00 6.91 7.54 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 91 K 8.66 3.99 0.00 1.64 1.75 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.17 7.81 92 D 7.82 4.75 0.00 2.68 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 93 D 7.78 4.62 0.00 2.80 2.57 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 0.00 0.00 0.00 0.00 94 E 8.23 4.57 0.00 1.88 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 2.19 2.24 0.00 95 L 7.95 4.16 0.00 1.24 0.84 0.53 -0.41 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 96 T 7.70 4.30 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 1.24 0.00 0.00 97 G 8.68 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 98 F 8.23 4.39 0.00 3.06 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