NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 5.3029 8.3698 117.8169 58.0337 39.2253 174.7248 16 S 4.3608 7.9823 119.0212 56.2622 64.3313 172.1188 17 N 4.8781 8.9193 117.3073 53.0066 39.0640 176.1913 18 A 4.8397 7.8013 121.9259 52.3643 19.4388 177.1666 19 I 4.8908 8.9283 112.6008 59.3467 42.0805 174.2203 20 V 4.8640 8.6631 122.9402 61.3490 34.3186 174.2065 21 V 4.8322 9.1107 129.1393 61.4545 33.3683 174.5678 22 L 5.0829 9.0995 128.8873 54.4984 43.1968 175.4361 23 C 5.5864 9.1334 121.7094 58.9063 35.5216 172.4925 24 T 5.3474 8.6185 112.2678 59.9681 71.6966 172.6343 25 A 4.5954 8.7976 123.6345 49.3284 22.4363 175.6576 26 P 4.4054 0.0000 0.0000 65.4437 32.0736 176.2712 27 D 4.6274 7.3644 117.4451 51.2849 43.6098 176.0218 28 E 3.9544 8.6549 118.5946 59.1824 29.3763 179.3728 29 A 3.9625 7.9288 120.6736 55.3471 18.6022 179.7710 30 S 4.0654 8.9168 112.8375 61.3204 63.0162 176.5196 31 A 3.9496 7.8602 124.1105 55.0653 18.0535 179.6445 32 Q 3.9273 8.4400 116.9905 59.1223 28.7837 178.6812 33 N 4.3213 8.1923 117.4690 56.2537 38.5567 177.2003 34 L 4.0207 8.0196 121.4017 58.0660 42.1919 178.7787 35 A 4.0773 8.2073 120.4674 55.2276 18.3664 179.3712 36 A 3.9527 8.3244 119.5539 55.4191 18.4591 179.9014 37 Q 3.9290 8.1226 116.4386 59.1495 28.7872 179.0945 38 V 3.1982 7.9774 119.2577 65.9878 31.5563 178.0789 39 L 4.0365 8.1929 118.8303 57.7501 41.2402 179.7699 40 G 3.6001 7.9433 104.7018 47.5258 0.0000 174.8315 41 E 4.0704 7.9133 117.9115 55.5262 29.9985 176.5322 42 K 3.7717 7.6356 117.5830 57.6222 30.0403 175.8750 43 L 4.3586 7.9167 116.8600 54.8386 42.6191 176.7697 44 A 4.5974 7.3747 119.5347 50.8229 22.0442 175.6393 45 A 4.1357 8.7012 122.2165 53.9147 19.9494 177.8235 46 C 4.8319 7.8641 114.0989 58.1527 35.4691 173.0788 47 V 4.6504 8.4146 124.7679 61.4039 33.6653 174.3416 48 T 4.5970 8.7087 124.8854 61.7776 70.8917 173.2785 49 L 4.8775 8.4467 125.7344 53.1423 44.0808 176.6313 50 L 4.7286 8.8763 124.6642 52.1446 42.4047 174.4037 51 P 4.5369 0.0000 0.0000 62.6321 32.9195 176.5305 52 G 3.7678 8.7198 105.7323 46.1171 0.0000 173.6243 53 A 4.5155 7.8998 121.4604 51.5802 20.2299 177.3319 54 T 5.0430 8.4348 115.1145 61.8940 71.5736 173.8463 55 S 4.9454 9.2977 122.3215 56.6983 65.9366 173.0512 56 L 5.5356 8.4052 123.3458 52.4689 44.2661 175.1475 57 Y 4.7081 7.2487 117.9033 56.7463 40.8342 172.1050 58 Y 4.7750 8.9742 118.3706 56.8917 39.6085 175.1940 59 W 5.0212 9.0793 133.1438 56.7132 33.5076 174.8695 60 E 3.3068 9.3245 126.3798 57.4633 26.4083 175.8279 61 G 4.0388 8.5466 105.3528 45.1737 0.0000 173.7612 62 K 4.7562 7.8842 119.3188 54.1205 35.5225 175.3746 63 L 3.5384 8.3659 126.1479 54.8931 42.3160 175.7491 64 E 4.3797 8.7903 126.8708 54.8367 32.1942 175.6451 65 Q 4.2902 8.0996 122.5588 54.7178 31.4305 173.6805 66 E 4.6900 9.0288 125.8350 54.3478 34.0747 175.1527 67 Y 4.9711 8.3748 119.8750 58.5525 38.9952 174.7254 68 E 4.9573 9.4444 121.6449 55.4399 35.3599 173.7874 69 V 4.7389 8.8577 121.3221 61.3800 33.8988 174.1004 70 Q 4.7182 8.8542 129.5595 55.1760 30.6072 174.1843 71 L 5.1461 9.4279 127.2637 53.0223 44.9397 175.6602 72 L 4.8707 8.6337 122.1092 53.1590 44.8250 175.5719 73 F 4.7176 9.4792 124.7544 56.2461 40.6626 175.3806 74 K 4.9627 9.2281 125.0044 55.4921 33.4875 175.2865 75 S 4.3202 8.8668 122.1054 57.4277 66.0245 172.1172 76 N 5.5878 8.6510 114.0875 51.0147 40.7579 175.1184 77 T 3.9393 9.0358 109.2837 64.8188 68.8100 176.3578 78 D 4.4046 7.6290 120.8738 56.5831 40.9837 176.5843 79 H 4.7938 8.2525 114.4492 54.9930 30.1550 175.0728 80 Q 3.9519 7.9810 121.6504 59.6029 28.7859 178.5000 81 Q 3.9736 8.0707 117.8892 59.0648 28.8881 178.7591 82 A 4.0318 7.9716 121.1135 54.9498 18.4103 179.2497 83 L 3.8374 8.1895 118.9819 58.3559 42.2504 179.1127 84 L 3.9298 7.9527 118.8620 58.2426 41.6028 179.8201 85 T 3.8960 8.0358 115.5458 66.5776 68.1440 176.2371 86 Y 3.8546 7.8812 120.3752 60.7477 39.2166 177.6883 87 I 3.8870 7.9354 120.7489 64.4005 37.0016 178.1243 88 K 3.8489 7.7912 118.9812 59.7047 32.0638 178.1440 89 Q 4.1831 7.6801 115.5490 56.8942 29.2650 175.6008 90 H 4.8617 7.9162 117.4086 55.8126 29.7794 172.7723 91 H 4.8910 7.9448 117.0152 53.4774 32.7181 171.5592 92 P 4.3408 0.0000 0.0000 65.3639 31.4745 176.8292 93 Y 4.7342 7.6896 114.4035 57.2026 38.8885 175.3358 94 Q 4.1917 8.7370 123.5048 58.7251 29.7225 176.4863 95 T 4.6498 7.4681 113.3663 60.8172 68.6211 171.5201 96 P 4.5268 0.0000 0.0000 61.8718 32.7626 176.7635 97 E 4.0764 8.5787 121.2836 56.6357 30.8112 175.8853 98 L 4.8978 8.4659 126.7298 53.7173 44.5915 174.2649 99 L 4.7245 8.9626 123.9796 52.6482 44.8826 175.7989 100 V 4.4430 8.5022 124.5376 61.7071 32.5874 174.8944 101 L 4.7238 9.0743 129.5065 53.0758 43.1616 175.0331 102 P 4.9282 0.0000 0.0000 62.5021 33.1223 175.5054 103 V 4.2659 8.1621 119.6411 61.2333 33.8265 176.2900 104 R 2.7356 8.4540 127.3410 58.6916 30.1025 175.8517 105 D 4.6645 7.2371 113.1127 53.8880 43.8917 173.1619 106 G 4.0357 7.8687 109.3722 43.4535 0.0000 173.0273 107 D 4.4540 8.3086 118.6174 53.7339 42.5764 176.3521 108 K 3.9211 8.8002 127.5359 59.9897 32.2535 178.6277 109 D 4.4185 8.2218 118.5579 57.4390 40.7415 177.9799 110 Y 4.1290 8.3819 120.0936 60.7689 38.8506 177.9813 111 L 3.9902 8.4580 120.2990 57.7536 41.6680 179.4225 112 S 4.0852 8.2963 113.1679 61.0938 62.3338 176.0416 113 W 4.0693 8.1792 131.0661 60.2453 30.2114 177.6183 114 L 3.0910 7.7026 119.2605 58.0268 41.6792 178.3862 115 N 4.3440 8.3854 116.4914 56.3409 38.2389 177.3739 116 A 3.9491 8.0416 122.3720 54.8245 18.2241 179.5140 117 S 3.8535 7.4607 111.4587 60.2300 63.1563 175.5120 118 L 4.2676 7.0501 121.1294 54.8705 42.6897 175.9682 119 L 4.1032 7.0897 124.9478 55.4535 41.9809 176.4100 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 15 Y 8.37 5.30 0.00 2.84 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 16 S 7.98 4.36 0.00 4.02 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 17 N 8.92 4.88 0.00 2.81 3.11 0.00 0.00 5.83 7.46 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 18 A 7.80 4.84 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 19 I 8.93 4.89 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 1.02 0.00 0.00 20 V 8.66 4.86 2.14 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 0.92 0.00 0.00 1.00 0.00 0.00 21 V 9.11 4.83 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 1.03 0.00 0.00 0.98 0.00 0.00 22 L 9.10 5.08 0.00 1.66 1.77 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.13 5.59 0.00 3.18 3.08 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 24 T 8.62 5.35 4.40 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 1.33 0.00 0.00 25 A 8.80 4.60 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 26 P 0.00 4.41 0.00 2.23 2.36 0.00 3.42 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 27 D 7.36 4.63 0.00 2.74 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 28 E 8.65 3.95 0.00 2.01 2.02 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 2.38 2.35 0.00 29 A 7.93 3.96 1.30 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 0.00 0.00 0.00 30 S 8.92 4.07 0.00 3.89 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 31 A 7.86 3.95 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 0.00 0.00 0.00 0.00 0.00 32 Q 8.44 3.93 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 33 N 8.19 4.32 0.00 2.88 2.88 0.00 0.00 6.69 6.03 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 34 L 8.02 4.02 0.00 1.87 1.96 1.15 1.13 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 35 A 8.21 4.08 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 36 A 8.32 3.95 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 37 Q 8.12 3.93 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 38 V 7.98 3.20 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 1.02 0.00 0.00 39 L 8.19 4.04 0.00 1.92 1.69 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.91 4.07 0.00 1.64 1.69 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 2.17 1.53 0.00 42 K 7.64 3.77 0.00 1.79 1.74 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.30 7.81 43 L 7.92 4.36 0.00 1.42 1.59 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.37 4.60 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 45 A 8.70 4.14 0.69 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 0.00 0.00 46 C 7.86 4.83 0.00 3.37 2.97 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 47 V 8.41 4.65 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 0.05 0.00 0.00 0.92 0.00 0.00 48 T 8.71 4.60 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 1.18 0.00 0.00 49 L 8.45 4.88 0.00 1.44 1.53 0.79 0.91 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 50 L 8.88 4.73 0.00 1.54 1.58 0.93 0.71 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 51 P 0.00 4.54 0.00 2.05 2.04 0.00 3.82 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 1.97 1.95 0.00 52 G 8.72 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 53 A 7.90 4.52 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 5.04 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 1.10 0.00 0.00 55 S 9.30 4.95 0.00 3.93 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 56 L 8.41 5.54 0.00 1.45 1.41 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.25 4.71 0.00 3.15 3.04 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 58 Y 8.97 4.78 0.00 2.98 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 59 W 9.08 5.02 0.00 3.65 3.03 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 60 E 9.32 3.31 0.00 2.11 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 1.88 1.47 0.00 61 G 8.55 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 62 K 7.88 4.76 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.52 7.81 63 L 8.37 3.54 0.00 0.77 1.29 0.39 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.79 4.38 0.00 1.16 1.34 0.00 0.00 0.00 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 2.34 0.00 65 Q 8.10 4.29 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 66 E 9.03 4.69 0.00 1.97 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 2.10 2.44 0.00 67 Y 8.37 4.97 0.00 2.94 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 68 E 9.44 4.96 0.00 1.95 1.95 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 2.40 2.39 0.00 69 V 8.86 4.74 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 0.91 0.00 0.00 0.93 0.00 0.00 70 Q 8.85 4.72 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 71 L 9.43 5.15 0.00 1.81 1.22 1.02 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.63 4.87 0.00 1.51 1.58 0.92 1.26 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 73 F 9.48 4.72 0.00 2.95 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 74 K 9.23 4.96 0.00 1.95 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 75 S 8.87 4.32 0.00 3.90 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 76 N 8.65 5.59 0.00 3.07 2.85 0.00 0.00 5.74 7.22 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 77 T 9.04 3.94 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 1.31 0.00 0.00 78 D 7.63 4.40 0.00 2.59 2.67 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 79 H 8.25 4.79 0.00 3.20 3.23 0.00 5.83 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 80 Q 7.98 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 81 Q 8.07 3.97 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 82 A 7.97 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.84 0.00 1.90 1.83 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.95 3.93 0.00 1.86 1.69 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.04 3.90 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 1.22 0.00 0.00 86 Y 7.88 3.85 0.00 3.08 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 I 7.94 3.89 1.78 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.91 0.00 0.00 88 K 7.79 3.85 0.00 1.85 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.52 7.81 89 Q 7.68 4.18 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.19 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 90 H 7.92 4.86 0.00 2.93 3.28 0.00 5.79 0.00 0.00 0.00 0.00 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.94 4.89 0.00 3.31 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.34 0.00 1.83 2.00 0.00 2.91 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 93 Y 7.69 4.73 0.00 2.91 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 94 Q 8.74 4.19 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.28 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 95 T 7.47 4.65 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 1.29 0.00 0.00 96 P 0.00 4.53 0.00 1.99 1.48 0.00 3.84 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 1.93 1.86 0.00 97 E 8.58 4.08 0.00 2.08 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 2.59 2.37 0.00 98 L 8.47 4.90 0.00 1.51 1.55 0.93 0.88 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 99 L 8.96 4.72 0.00 1.61 1.57 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.50 4.44 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 0.88 0.00 0.00 0.95 0.00 0.00 101 L 9.07 4.72 0.00 1.71 1.61 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.93 0.00 2.45 2.19 0.00 3.78 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 2.18 2.11 0.00 103 V 8.16 4.27 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 1.06 0.00 0.00 1.02 0.00 0.00 104 R 8.45 2.74 0.00 1.65 1.63 0.00 3.10 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.15 0.00 105 D 7.24 4.66 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 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 0.00 107 D 8.31 4.45 0.00 2.82 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 0.00 108 K 8.80 3.92 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 109 D 8.22 4.42 0.00 2.99 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 0.00 110 Y 8.38 4.13 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.46 3.99 0.00 1.78 1.75 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.30 4.09 0.00 4.00 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 0.00 113 W 8.18 4.07 0.00 3.37 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 0.00 114 L 7.70 3.09 0.00 1.34 1.64 1.01 1.26 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 0.00 115 N 8.39 4.34 0.00 2.75 2.80 0.00 0.00 6.98 6.84 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 0.00 116 A 8.04 3.95 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 0.00 117 S 7.46 3.85 0.00 3.56 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 0.00 118 L 7.05 4.27 0.00 1.34 1.20 0.82 0.79 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 0.00 119 L 7.09 4.10 0.00 1.66 1.52 0.91 0.84 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