NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.8649 7.8833 121.3407 61.5238 39.1663 177.2483 3 T 4.0295 7.4327 114.5060 64.5026 68.4757 173.6724 4 D 4.4843 8.0574 120.5485 55.7574 42.2605 176.3885 5 I 4.2378 7.5628 117.4988 61.1618 39.9417 175.2598 6 L 4.7342 7.9416 119.7586 52.8814 43.7436 176.0046 7 S 4.3317 8.3692 117.5221 58.1848 64.5000 175.3336 8 A 4.0293 8.7242 127.8811 55.7635 18.1206 179.9867 9 E 3.9334 8.1078 116.2413 59.4915 29.6117 179.1245 10 D 4.3657 8.0375 118.7016 57.1133 40.9301 178.7267 11 I 3.6506 7.6629 119.9937 64.2821 37.1144 178.0791 12 A 4.0221 8.2756 121.6755 55.2864 18.1656 179.5671 13 A 3.8883 8.1560 118.8291 55.1857 18.2419 179.5516 14 A 3.8344 7.7256 118.1187 55.4373 18.5028 179.6254 15 L 4.2772 8.0923 117.3859 57.9878 41.5061 179.3831 16 Q 4.0053 8.1769 118.8079 59.2839 29.0138 177.8692 17 E 4.1846 8.2707 119.7080 57.9802 29.7027 176.7155 18 C 5.4036 7.4567 112.7600 56.7016 30.2752 175.1091 19 Q 4.1189 8.4661 123.3297 60.2234 28.9441 176.5852 20 D 4.6552 7.8980 117.0978 52.5926 41.7872 173.8643 21 P 4.2859 0.0000 0.0000 64.7761 31.3586 175.6808 22 D 4.5917 8.9054 120.0767 55.6665 38.8041 174.6721 23 T 4.4106 7.6233 108.2781 61.1882 69.7958 174.0397 24 F 4.3515 8.3684 125.5613 58.3690 39.9048 174.1353 25 E 4.1509 7.6225 127.0673 52.9570 32.2205 173.5760 26 P 3.2801 0.0000 0.0000 65.8224 31.4808 178.1369 27 Q 4.0737 7.8388 117.2335 59.0917 29.0074 178.4161 28 K 3.8570 7.7007 118.9276 59.3309 32.1630 178.6418 29 F 3.8521 7.8327 120.9199 61.5894 39.1555 177.3302 30 F 4.6162 7.8630 116.9502 60.2105 38.7234 177.6159 31 Q 3.9467 8.0448 119.4992 59.4271 28.8190 177.7728 32 T 3.8258 8.0153 115.8936 66.8643 68.6265 176.4515 33 S 4.2675 7.6968 114.3597 59.6959 63.4292 175.3315 34 G 3.9733 8.0978 110.7344 44.8077 0.0000 174.8885 35 L 4.0401 7.9437 122.6803 58.1800 42.1154 179.1641 36 S 4.3140 8.2446 111.2912 60.2866 62.8888 174.8192 37 K 4.2931 7.7669 118.8822 56.9054 32.3354 176.4166 38 M 4.5066 7.8445 119.5319 53.6516 33.6326 176.5238 39 S 4.4039 8.2628 115.0575 57.8531 65.2066 174.9911 40 A 4.4059 8.8216 125.9143 54.9479 18.2420 180.1005 41 S 4.0854 8.1230 112.0154 61.9054 63.0234 176.6231 42 Q 4.0318 7.7857 120.7361 58.6930 28.4427 178.7808 43 V 3.7879 8.1372 119.6189 65.7749 31.4119 178.0551 44 K 4.0424 8.4136 119.8886 59.5481 32.1118 178.5255 45 D 4.4274 8.0652 118.7222 57.4936 40.8546 178.9134 46 I 3.7243 7.7866 119.8002 64.2316 37.1486 177.9811 47 F 3.5551 8.6367 121.9299 61.5736 38.9171 177.3376 48 R 3.9324 8.2500 116.1931 59.3714 29.8717 178.5335 49 F 3.7526 7.7324 119.2327 61.0182 39.4317 177.1086 50 I 3.8647 7.2007 118.6069 63.3051 38.4899 177.3777 51 D 4.4044 7.4979 120.2485 52.8271 37.2774 175.4842 52 N 4.0267 7.9823 122.0852 56.2902 39.3057 175.2253 53 D 4.5220 8.2410 113.7170 53.0203 39.8426 176.1085 54 Q 3.6936 7.8021 117.8445 57.2733 26.5551 174.9669 55 S 4.2426 8.2446 113.8391 59.7893 63.3764 175.1777 56 G 3.9562 9.5170 109.4821 44.9866 0.0000 172.6238 57 Y 5.3031 7.5119 115.2804 56.2749 42.4877 174.6239 58 L 5.1435 9.3785 122.4638 53.0325 43.4158 175.5177 59 D 4.5416 9.0748 120.3597 53.0790 41.4358 176.6162 60 G 4.0554 8.6176 107.7804 45.9304 0.0000 177.1113 61 D 4.1770 8.6688 123.9580 56.5247 40.6141 177.6106 62 E 4.1329 8.1757 119.0197 59.0373 29.5230 179.0069 63 L 4.1228 7.6976 119.3688 57.4473 41.8988 179.0752 64 K 3.7977 7.8601 119.0086 58.8940 32.0412 177.1803 65 Y 4.7751 7.4689 115.0974 57.6685 38.2068 176.9008 66 F 4.0723 8.0257 124.1230 61.9570 39.3687 177.5534 67 L 4.0881 7.9668 117.5522 57.7776 41.3549 179.1838 68 Q 4.4387 8.1061 117.2155 58.2020 28.3461 178.5558 69 K 4.0939 7.8622 118.7696 58.7164 32.1380 178.9763 70 F 4.3375 8.2011 117.6091 58.6380 39.5540 176.2084 71 Q 4.5488 7.6097 117.2039 53.9254 32.0633 176.1095 72 S 4.4297 9.2358 117.7593 60.0884 63.1138 174.6193 73 D 4.6858 7.9515 118.2917 52.7407 39.4775 176.0551 74 A 4.2289 7.8171 123.3494 52.0467 18.9025 177.7395 75 R 4.3278 8.1365 116.4731 55.6052 30.6465 175.7768 76 E 4.5591 8.3428 117.7309 55.6353 30.2985 177.1157 77 L 4.3271 8.2912 123.8832 54.9591 42.5991 177.1207 78 T 4.2371 9.3806 112.6428 61.0319 70.4428 175.7159 79 E 3.8869 8.7934 121.2648 59.5733 29.4312 179.5539 80 S 4.0597 7.9908 112.5766 61.4678 62.5313 175.8337 81 E 4.0526 8.1399 121.4664 59.6339 29.2119 179.5464 82 T 3.7812 8.1938 110.1611 64.5307 68.7720 176.2723 83 K 3.8161 8.2360 122.9403 59.5744 32.0721 178.7438 84 S 4.1198 8.0956 115.0701 61.4490 62.6045 176.4562 85 L 3.9655 7.9867 123.0396 58.2789 41.7670 178.6859 86 M 4.0414 8.1305 118.0337 58.9005 32.0094 177.8463 87 D 4.3657 8.2221 117.6872 57.3618 41.0493 178.3041 88 A 4.1344 8.1494 120.1728 54.6607 18.4461 178.5855 89 A 4.5006 7.5460 116.9676 52.6216 20.5323 177.4976 90 D 4.5223 8.0439 117.2487 54.7051 41.5808 175.3423 91 N 4.9811 10.5230 124.3112 53.1799 40.4995 174.1365 92 D 4.8822 8.3586 115.4603 52.8390 39.8453 175.6216 93 G 4.0202 8.2210 105.7547 47.3577 0.0000 174.1463 94 D 4.6624 8.6269 115.9870 51.8196 39.9900 176.0521 95 G 4.0081 8.4210 107.4551 46.1920 0.0000 173.5619 96 K 4.8433 7.8926 115.8317 55.2671 36.4205 175.3710 97 I 4.7001 9.1481 122.7735 59.8796 39.0368 175.8906 98 G 4.2203 9.4808 114.9832 45.0942 0.0000 174.0290 99 A 2.7266 8.1062 122.2281 54.5508 18.0423 179.8229 100 D 4.2219 7.8001 116.9222 56.8611 39.5486 178.5574 101 E 3.9698 8.0858 120.0995 58.7016 29.5065 179.0410 102 F 4.1877 8.6307 121.0228 61.3301 39.4210 176.9622 103 Q 3.8408 8.1759 117.6961 59.2448 28.3609 179.0504 104 E 3.9372 8.0751 117.9422 59.5587 29.7530 178.7378 105 M 4.0594 7.9558 118.1274 58.7937 32.0827 178.1972 106 V 2.9273 6.9114 117.1829 66.0886 31.6520 176.9860 107 H 4.6794 7.9933 112.2869 55.9989 28.8454 175.5889 108 S 4.6794 7.5189 122.9178 58.3010 64.8315 174.8691 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 I 7.88 3.86 1.34 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.30 0.64 0.00 0.00 3 T 7.43 4.03 4.19 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 1.23 0.00 0.00 4 D 8.06 4.48 0.00 2.61 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 5 I 7.56 4.24 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.90 0.00 0.00 6 L 7.94 4.73 0.00 1.99 1.60 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.37 4.33 0.00 4.05 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 8 A 8.72 4.03 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 9 E 8.11 3.93 0.00 2.07 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 0.00 2.40 2.46 0.00 10 D 8.04 4.37 0.00 2.83 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 11 I 7.66 3.65 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.01 1.10 0.00 0.00 12 A 8.28 4.02 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 13 A 8.16 3.89 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 14 A 7.73 3.83 0.79 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 15 L 8.09 4.28 0.00 1.94 1.82 1.04 0.75 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 16 Q 8.18 4.01 0.00 2.11 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 17 E 8.27 4.18 0.00 2.15 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 0.00 2.33 2.31 0.00 18 C 7.46 5.40 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 19 Q 8.47 4.12 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 20 D 7.90 4.66 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 21 P 0.00 4.29 0.00 2.18 2.08 0.00 3.89 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 2.02 0.00 22 D 8.91 4.59 0.00 2.89 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 23 T 7.62 4.41 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 1.22 0.00 0.00 24 F 8.37 4.35 0.00 2.94 3.06 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 0.00 0.00 0.00 0.00 25 E 7.62 4.15 0.00 1.81 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 2.13 2.22 0.00 26 P 0.00 3.28 0.00 2.13 2.02 0.00 3.43 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 27 Q 7.84 4.07 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 28 K 7.70 3.86 0.00 1.82 1.74 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.42 7.81 29 F 7.83 3.85 0.00 2.56 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 30 F 7.86 4.62 0.00 3.20 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 31 Q 8.04 3.95 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 32 T 8.02 3.83 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 1.16 0.00 0.00 33 S 7.70 4.27 0.00 3.81 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 34 G 8.10 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 35 L 7.94 4.04 0.00 1.90 2.01 1.09 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.24 4.31 0.00 4.14 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 0.00 37 K 7.77 4.29 0.00 1.91 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 38 M 7.84 4.51 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 39 S 8.26 4.40 0.00 4.06 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 40 A 8.82 4.41 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 41 S 8.12 4.09 0.00 4.08 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 0.00 42 Q 7.79 4.03 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 43 V 8.14 3.79 2.36 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 1.18 0.00 0.00 0.96 0.00 0.00 44 K 8.41 4.04 0.00 1.96 2.01 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.43 1.56 7.81 45 D 8.07 4.43 0.00 3.07 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 46 I 7.79 3.72 2.24 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 1.10 0.00 0.00 47 F 8.64 3.56 0.00 3.00 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 48 R 8.25 3.93 0.00 2.00 2.01 0.00 3.25 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 49 F 7.73 3.75 0.00 3.14 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 50 I 7.20 3.86 1.61 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 1.15 0.65 0.89 0.00 0.00 51 D 7.50 4.40 0.00 2.06 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 52 N 7.98 4.03 0.00 2.63 2.81 0.00 0.00 7.31 8.47 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 53 D 8.24 4.52 0.00 2.83 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 54 Q 7.80 3.69 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 55 S 8.24 4.24 0.00 4.17 4.15 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 56 G 9.52 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 57 Y 7.51 5.30 0.00 2.96 2.99 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 58 L 9.38 5.14 0.00 1.67 1.63 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.07 4.54 0.00 2.61 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 60 G 8.62 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.67 4.18 0.00 2.77 2.77 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 62 E 8.18 4.13 0.00 2.02 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 0.00 2.41 2.43 0.00 63 L 7.70 4.12 0.00 1.75 1.64 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.86 3.80 0.00 1.47 1.02 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.50 7.81 65 Y 7.47 4.78 0.00 3.15 2.79 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 66 F 8.03 4.07 0.00 3.20 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 67 L 7.97 4.09 0.00 1.88 1.72 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.11 4.44 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 69 K 7.86 4.09 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.57 7.81 70 F 8.20 4.34 0.00 3.28 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 71 Q 7.61 4.55 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 72 S 9.24 4.43 0.00 3.97 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 73 D 7.95 4.69 0.00 2.79 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 74 A 7.82 4.23 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 75 R 8.14 4.33 0.00 1.95 1.98 0.00 3.04 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 76 E 8.34 4.56 0.00 1.89 1.89 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 2.52 2.52 0.00 77 L 8.29 4.33 0.00 1.37 1.40 0.46 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 0.00 0.00 0.00 0.00 78 T 9.38 4.24 4.22 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 1.24 0.00 0.00 79 E 8.79 3.89 0.00 2.01 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 0.00 2.36 2.34 0.00 80 S 7.99 4.06 0.00 3.88 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 81 E 8.14 4.05 0.00 2.26 1.97 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 2.44 2.48 0.00 82 T 8.19 3.78 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 1.18 0.00 0.00 83 K 8.24 3.82 0.00 1.82 2.05 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.50 7.81 84 S 8.10 4.12 0.00 4.11 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 85 L 7.99 3.97 0.00 1.88 1.80 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.13 4.04 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 87 D 8.22 4.37 0.00 2.84 2.73 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 88 A 8.15 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.50 1.48 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 0.00 0.00 90 D 8.04 4.52 0.00 2.74 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 91 N 10.52 4.98 0.00 2.52 2.78 0.00 0.00 7.03 8.35 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 92 D 8.36 4.88 0.00 2.77 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 93 G 8.22 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 94 D 8.63 4.66 0.00 2.70 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 95 G 8.42 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 96 K 7.89 4.84 0.00 2.09 1.76 0.00 1.22 0.00 0.00 1.47 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.30 7.81 97 I 9.15 4.70 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 1.26 0.00 0.00 98 G 9.48 4.22 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 0.00 0.00 0.00 99 A 8.11 2.73 0.70 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 0.00 0.00 100 D 7.80 4.22 0.00 2.86 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 0.00 101 E 8.09 3.97 0.00 2.39 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 0.00 2.46 2.44 0.00 102 F 8.63 4.19 0.00 3.38 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 0.00 103 Q 8.18 3.84 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 104 E 8.08 3.94 0.00 1.92 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 2.34 2.48 0.00 105 M 7.96 4.06 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 106 V 6.91 2.93 1.66 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 0.52 0.00 0.00 -0.63 0.00 0.00 107 H 7.99 4.68 0.00 3.24 3.25 0.00 5.75 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.52 4.68 0.00 3.97 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