NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4493 8.3049 120.3445 55.3229 33.2504 174.5995 2 I 4.4959 8.2609 126.2306 59.0526 40.6704 173.0933 3 Q 5.0353 9.4931 124.2083 54.2391 32.9643 174.6922 4 R 4.7517 9.2968 122.3144 54.5126 34.1693 174.5970 5 T 4.7500 8.9239 118.6280 60.4313 68.2446 172.2902 6 P 4.8653 0.0000 0.0000 62.9504 32.4724 175.6876 7 K 4.5862 9.1928 122.5256 55.5647 33.9635 175.7106 8 I 5.2018 8.3125 123.5569 59.7330 40.9189 175.0941 9 Q 4.6303 9.2382 123.9788 54.5219 32.7680 173.9737 10 V 5.0124 8.7567 124.7762 61.4148 33.4676 174.0824 11 Y 5.3847 8.5774 125.2691 56.5995 41.8447 173.2865 12 S 5.0977 8.9173 113.8937 56.5224 65.0682 174.4421 13 R 4.1796 8.6861 122.0058 59.1291 30.2978 176.3658 14 H 5.1323 8.1898 113.8931 52.6780 32.6152 171.2988 15 P 4.2238 0.0000 0.0000 62.8129 31.4258 176.2728 16 A 4.0787 9.0519 126.5039 52.6817 18.7187 176.2582 17 E 4.5040 8.6444 120.8994 54.1089 30.8968 175.0001 18 N 4.4865 8.8494 121.5253 55.7213 38.7988 174.4890 19 G 4.0852 8.8347 112.0664 45.1382 0.0000 173.6001 20 K 4.5279 7.3845 117.6542 54.3106 34.0666 176.3777 21 S 4.2943 8.1941 117.4707 59.2911 63.6617 173.0400 22 N 4.9237 8.7435 121.1276 52.9966 43.1561 172.2335 23 F 5.2133 8.8864 117.0792 55.5529 42.7850 174.1864 24 L 3.8517 8.4704 126.3484 53.6248 43.0825 174.7209 25 N 5.3661 8.7003 124.3738 51.4580 41.6106 173.1674 26 C 5.2277 9.4626 122.9784 55.1483 47.3682 171.8690 27 Y 5.4736 9.5650 129.4203 56.3767 40.2358 174.5027 28 V 5.5713 8.8999 120.5397 59.0095 34.7490 175.3226 29 S 4.9682 7.7775 118.0854 57.1866 66.8156 174.3724 30 G 3.9815 8.7429 105.4248 46.3331 0.0000 173.2001 31 F 5.2120 7.2613 114.3108 55.7758 41.0612 174.0043 32 H 5.1795 8.6655 114.9757 54.9805 33.8849 172.2928 33 P 4.8690 0.0000 0.0000 62.3095 32.2376 176.1526 34 S 3.8819 8.4937 113.2850 60.9937 62.9804 174.5852 35 D 4.3605 7.9436 120.9867 54.8008 40.8118 175.2272 36 I 4.5631 7.7987 122.4380 59.8677 41.2613 172.9719 37 E 4.5711 8.8496 127.7940 54.3174 32.4476 174.4654 38 V 4.6144 8.0645 126.0665 61.0029 34.2724 174.1369 39 D 4.8968 8.9264 126.9730 52.4264 44.8291 174.5571 40 L 4.8906 8.4270 122.3715 53.4876 43.5371 175.3631 41 L 5.1348 9.1766 124.4474 52.9108 44.9523 175.8552 42 K 4.3350 8.9210 123.4916 54.6496 34.6893 175.5702 43 N 4.1568 9.9719 126.8700 54.2755 36.3700 175.8965 44 G 4.0975 8.4901 108.2475 45.5766 0.0000 174.8474 45 E 4.1285 7.7254 119.3892 55.8318 30.1238 176.0027 46 R 4.3175 8.3351 123.3296 55.8071 30.9083 175.7027 47 I 4.1865 8.3615 127.0413 60.4109 37.4931 176.0477 48 E 4.1097 8.8405 126.2698 58.7056 29.9536 178.0919 49 K 4.2963 7.7279 119.4548 55.1773 31.3544 174.9450 50 V 4.4841 7.4690 121.9878 61.8523 34.3304 174.6461 51 E 4.6586 8.4416 126.8238 55.1329 32.6550 174.2606 52 H 5.1086 7.6514 114.9109 54.3256 31.2766 173.2492 53 S 4.5727 8.6583 115.5042 57.9473 64.3254 173.1984 54 D 4.6044 8.4220 119.8195 53.0652 41.4842 176.4289 55 L 4.0065 8.4570 125.0439 56.1733 42.5593 175.9277 56 S 4.7627 8.2728 119.4355 56.8702 66.6108 172.0407 57 F 5.5193 7.6676 116.3435 55.2641 41.1537 174.3188 58 S 4.6833 9.1294 115.6770 56.3349 64.9719 174.8230 59 K 3.4904 8.5882 121.1476 59.7073 31.5591 176.4442 60 D 4.4108 7.7882 114.7892 52.8846 39.2892 177.2091 61 W 3.6046 7.8926 118.7111 57.1728 27.9850 174.8762 62 S 4.2198 7.7000 116.2551 58.4293 62.8565 173.8615 63 F 5.1148 8.1247 123.6722 57.4227 40.1145 174.1316 64 Y 5.2660 8.4089 117.6575 56.0902 41.6338 173.8450 65 L 5.2661 9.6121 120.6687 53.4142 47.2723 174.6956 66 L 5.5489 9.2348 123.0597 53.8840 45.0846 174.6131 67 Y 5.1446 9.3925 124.8409 56.6778 40.4786 174.5051 68 Y 5.7613 8.5568 120.4981 56.6948 42.1958 173.3560 69 T 4.9800 8.2682 112.6983 60.9289 70.9685 171.8705 70 E 4.3359 8.8123 125.9887 55.8779 30.8277 175.4539 71 F 4.9310 9.3888 117.9835 55.7675 42.4935 173.3027 72 T 4.5825 8.1035 114.7625 60.5695 70.4952 172.5909 73 P 4.4539 0.0000 0.0000 63.3396 33.0090 175.7660 74 T 4.8672 8.6837 113.8169 61.2509 69.9918 173.8368 75 E 4.1252 9.2746 128.2047 57.9760 29.6738 177.7775 76 K 4.2740 7.6028 117.2366 57.9064 33.7001 176.5181 77 D 4.8363 8.0641 119.3911 52.7471 42.2743 175.3990 78 E 4.6328 8.9231 123.5356 55.4252 31.0859 174.6617 79 Y 5.2687 8.9089 122.1802 56.7038 40.9158 174.6609 80 A 5.1345 9.0597 123.3283 51.2295 23.9091 173.9462 81 C 5.2860 9.3363 119.2692 54.8121 46.2808 172.5046 82 R 5.0847 9.0023 127.0388 54.5742 32.1252 174.5922 83 V 4.7599 8.7863 126.3212 60.9779 34.8442 173.4736 84 N 5.3463 9.0448 126.2399 52.1374 41.8482 172.5084 85 H 5.1802 8.5192 123.9786 54.2992 33.6386 174.1964 86 V 3.5489 8.1383 121.0482 64.6326 31.2531 177.1229 87 T 4.2912 7.9668 108.6686 61.7602 69.2543 173.5554 88 L 4.9371 7.7335 122.9841 53.2280 44.1726 176.7781 89 S 4.3056 8.8789 119.8309 60.8130 63.2357 174.5917 90 Q 4.6995 7.5943 116.7804 52.6750 31.5997 173.3221 91 P 4.4601 0.0000 0.0000 62.9286 31.8605 175.8301 92 K 4.2439 8.8791 126.5622 56.1580 33.5138 175.3584 93 I 4.9807 8.3359 127.1321 59.4617 39.9655 174.9008 94 V 4.4180 8.5921 126.5176 60.8761 33.8385 175.0727 95 K 4.6278 8.8042 127.3865 56.0542 33.0718 176.3223 96 W 4.8025 9.1317 134.0090 56.7744 31.9468 175.3372 97 D 4.3009 8.3244 125.5022 51.8832 42.3257 176.0667 98 R 3.7277 7.5399 123.8790 58.2318 29.2395 176.8344 99 D 4.7376 7.8474 116.9176 54.5862 41.4753 176.1848 100 M 4.3955 8.3585 125.3267 55.5751 33.0558 174.8774 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 8.30 4.45 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 2 I 8.26 4.50 1.79 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 1.40 0.87 0.87 0.00 0.00 3 Q 9.49 5.04 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 4 R 9.30 4.75 0.00 1.91 1.97 0.00 3.16 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 5 T 8.92 4.75 4.29 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 1.25 0.00 0.00 6 P 0.00 4.87 0.00 1.99 1.77 0.00 3.79 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 7 K 9.19 4.59 0.00 1.73 1.79 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 8 I 8.31 5.20 1.91 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 1.32 0.61 0.96 0.00 0.00 9 Q 9.24 4.63 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 10 V 8.76 5.01 2.33 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 0.92 0.00 0.00 1.10 0.00 0.00 11 Y 8.58 5.38 0.00 3.19 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 12 S 8.92 5.10 0.00 4.15 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 13 R 8.69 4.18 0.00 1.85 2.15 0.00 3.10 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.00 14 H 8.19 5.13 0.00 3.18 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.22 0.00 2.10 2.10 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 16 A 9.05 4.08 1.64 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 0.00 0.00 17 E 8.64 4.50 0.00 2.09 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 0.00 2.22 2.22 0.00 18 N 8.85 4.49 0.00 2.74 2.87 0.00 0.00 7.42 7.65 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 19 G 8.83 4.09 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 0.00 20 K 7.38 4.53 0.00 1.73 1.69 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.36 7.81 21 S 8.19 4.29 0.00 3.67 3.62 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 22 N 8.74 4.92 0.00 2.70 2.41 0.00 0.00 6.87 7.27 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 23 F 8.89 5.21 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.47 3.85 0.00 0.27 0.67 -0.39 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.70 5.37 0.00 1.44 2.17 0.00 0.00 5.96 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 26 C 9.46 5.23 0.00 2.87 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 27 Y 9.57 5.47 0.00 3.36 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 28 V 8.90 5.57 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 0.69 0.00 0.00 1.08 0.00 0.00 29 S 7.78 4.97 0.00 3.80 3.46 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 0.00 0.00 0.00 0.00 30 G 8.74 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.26 5.21 0.00 3.01 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 32 H 8.67 5.18 0.00 3.24 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.87 0.00 2.16 2.18 0.00 3.94 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 2.00 0.00 34 S 8.49 3.88 0.00 3.50 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 35 D 7.94 4.36 0.00 2.64 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 36 I 7.80 4.56 1.50 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 0.92 0.37 0.82 0.00 0.00 37 E 8.85 4.57 0.00 1.98 1.64 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 2.09 2.15 0.00 38 V 8.06 4.61 0.67 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 0.36 0.00 0.00 0.47 0.00 0.00 39 D 8.93 4.90 0.00 2.50 2.44 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 0.00 40 L 8.43 4.89 0.00 1.57 1.55 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.18 5.13 0.00 1.55 1.55 0.91 0.74 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 42 K 8.92 4.33 0.00 1.76 1.62 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 0.77 7.81 43 N 9.97 4.16 0.00 2.80 2.86 0.00 0.00 7.16 7.61 0.00 0.00 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 G 8.49 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 45 E 7.73 4.13 0.00 2.21 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 46 R 8.34 4.32 0.00 1.76 1.82 0.00 3.21 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 47 I 8.36 4.19 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.93 0.00 0.00 48 E 8.84 4.11 0.00 1.94 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 2.31 2.36 0.00 49 K 7.73 4.30 0.00 1.86 1.85 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 50 V 7.47 4.48 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 0.94 0.00 0.00 0.97 0.00 0.00 51 E 8.44 4.66 0.00 1.16 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 2.08 2.05 0.00 52 H 7.65 5.11 0.00 2.28 1.98 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.66 4.57 0.00 3.98 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 54 D 8.42 4.60 0.00 2.68 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 55 L 8.46 4.01 0.00 1.62 1.61 0.84 0.57 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 56 S 8.27 4.76 0.00 3.57 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 57 F 7.67 5.52 0.00 2.89 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 58 S 9.13 4.68 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.49 0.00 1.61 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.24 1.31 7.81 60 D 7.79 4.41 0.00 2.80 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 61 W 7.89 3.60 0.00 3.26 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 62 S 7.70 4.22 0.00 3.92 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 63 F 8.12 5.11 0.00 1.73 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 64 Y 8.41 5.27 0.00 3.01 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 65 L 9.61 5.27 0.00 1.92 1.78 1.21 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.23 5.55 0.00 2.06 1.71 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 9.39 5.14 0.00 2.95 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 68 Y 8.56 5.76 0.00 2.97 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 69 T 8.27 4.98 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 1.07 0.00 0.00 70 E 8.81 4.34 0.00 1.47 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 2.25 2.22 0.00 71 F 9.39 4.93 0.00 2.82 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 72 T 8.10 4.58 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 1.15 0.00 0.00 73 P 0.00 4.45 0.00 2.26 2.07 0.00 3.48 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.75 0.00 74 T 8.68 4.87 4.29 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 1.37 0.00 0.00 75 E 9.27 4.13 0.00 2.10 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 0.00 2.33 2.53 0.00 76 K 7.60 4.27 0.00 1.98 1.99 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 77 D 8.06 4.84 0.00 2.71 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 78 E 8.92 4.63 0.00 1.96 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 2.28 2.35 0.00 79 Y 8.91 5.27 0.00 3.21 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 80 A 9.06 5.13 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 81 C 9.34 5.29 0.00 2.96 2.92 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 82 R 9.00 5.08 0.00 1.85 1.69 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 83 V 8.79 4.76 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 0.70 0.00 0.00 0.79 0.00 0.00 84 N 9.04 5.35 0.00 2.72 2.54 0.00 0.00 6.23 8.45 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 85 H 8.52 5.18 0.00 3.04 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.14 3.55 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 0.72 0.00 0.00 0.91 0.00 0.00 87 T 7.97 4.29 4.31 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 1.32 0.00 0.00 88 L 7.73 4.94 0.00 1.71 1.78 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.88 4.31 0.00 3.86 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 90 Q 7.59 4.70 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 91 P 0.00 4.46 0.00 2.04 2.18 0.00 3.75 0.00 0.00 3.70 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 92 K 8.88 4.24 0.00 1.87 1.69 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 93 I 8.34 4.98 1.88 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 1.22 0.93 0.93 0.00 0.00 94 V 8.59 4.42 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 1.16 0.00 0.00 0.97 0.00 0.00 95 K 8.80 4.63 0.00 1.74 1.81 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.42 7.81 96 W 9.13 4.80 0.00 3.28 3.42 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 97 D 8.32 4.30 0.00 2.66 2.40 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 98 R 7.54 3.73 0.00 1.83 1.23 0.00 2.98 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.51 0.00 99 D 7.85 4.74 0.00 2.62 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 0.00 100 M 8.36 4.40 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00