NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3789 8.3044 118.1980 53.4085 33.1817 175.1963 1 L 5.3102 6.8789 133.1473 54.3556 44.1647 170.0501 2 K 5.1270 8.2375 123.9358 54.1574 35.2841 175.1325 3 I 4.5897 8.8640 117.1950 59.3342 40.3545 174.1392 4 Q 5.0035 8.8431 125.8682 54.7816 30.1584 175.0365 5 A 4.8467 9.1637 124.4721 50.3604 23.2949 175.2564 6 Y 5.1791 8.5891 117.5018 56.3358 40.0487 174.9291 7 F 4.5214 8.8073 123.5503 59.7938 39.7878 174.6818 8 N 4.1074 8.5424 125.2707 53.6570 38.3987 173.6643 9 E 4.8164 7.6322 117.2112 55.7899 32.7307 174.7903 10 T 5.1369 8.5060 116.0316 62.5913 72.2736 173.5362 11 A 4.6049 8.8023 124.5825 50.4218 22.6250 175.2310 12 D 4.6339 8.6849 122.1278 52.8097 41.6455 176.2219 13 L 4.4457 8.1595 125.1836 52.9228 42.1281 175.3802 14 P 5.0746 0.0000 0.0000 62.5795 32.6787 176.7557 15 C 4.3175 9.1388 117.7119 56.0850 44.3215 175.1816 16 Q 3.3966 8.4287 114.6683 56.2269 26.7577 173.2405 17 F 3.9951 7.5854 119.5727 58.7938 40.1548 175.1663 18 A 4.0857 6.6783 124.4031 52.5358 19.0865 175.4506 19 N 3.1400 5.7700 117.0324 51.8559 40.0086 172.8305 20 S 4.5112 8.4482 120.2755 60.4442 64.9992 176.2474 21 Q 4.0728 8.3000 117.0880 61.7526 28.6524 178.7325 22 N 4.0482 6.9029 111.8870 54.2311 34.9189 173.9589 23 Q 4.7858 8.8231 123.4499 53.7107 32.4560 175.8571 24 S 4.6984 8.3349 115.0080 57.0625 64.4631 175.1960 25 L 4.0581 8.6102 122.2099 56.8173 42.0632 178.2614 26 S 4.9545 8.8680 114.6705 59.7793 62.5788 174.8995 27 E 4.4852 7.3101 114.2768 55.8241 30.2890 175.4366 28 L 4.6975 7.3840 116.9955 54.3748 46.9522 174.9577 29 V 4.6349 8.2256 120.0523 61.2257 33.8888 174.5407 30 V 4.7020 8.7862 127.5516 61.2276 35.1421 173.9926 31 F 5.6762 7.1684 119.8629 56.9687 41.7716 172.5694 32 W 5.5966 8.9895 118.0590 55.2858 33.5472 174.3865 33 Q 5.6366 9.3556 118.8851 55.5220 32.2053 174.2119 34 D 4.7810 8.1550 119.2976 51.1050 42.0271 176.5583 35 Q 3.9762 8.3431 116.6386 58.9789 28.6774 177.3162 36 E 4.5383 8.1930 115.1941 55.5009 29.7613 175.1687 37 N 4.2113 7.8600 114.2690 54.3448 36.9200 174.4972 38 L 4.6447 8.7088 116.6544 53.6444 43.7941 175.7409 39 V 4.4562 8.1714 119.8842 62.1274 33.3498 174.3992 40 L 4.2348 8.7622 129.5976 54.9582 40.9839 176.0067 41 N 5.1499 8.3176 117.3104 52.0069 42.8881 172.8602 42 E 5.2179 8.5089 124.6363 54.5083 33.6189 174.8288 43 V 4.4094 9.9287 125.6657 61.2125 33.4472 172.6646 44 Y 4.6165 8.7455 128.9352 57.5552 40.6653 175.9014 45 L 4.4651 7.2644 123.9777 56.0108 39.9347 176.1774 46 G 3.9162 8.2738 114.6319 46.3403 0.0000 175.4526 47 K 4.3806 8.2949 119.7935 54.9375 33.8582 174.8834 48 E 4.9259 8.4622 118.1756 53.9822 31.0772 175.7285 49 K 4.5243 8.3855 123.3380 54.8696 34.1875 176.1094 50 F 4.7360 8.7661 120.8835 57.0807 39.8165 176.9836 51 D 4.4776 8.2498 121.6419 57.1600 40.9707 177.9269 52 S 4.7925 7.7976 112.8593 57.9654 63.3123 174.1484 53 V 4.4482 7.5660 119.0493 61.0021 33.7981 174.6600 54 H 4.4526 8.9345 127.2160 55.7070 29.8240 176.1629 55 S 4.2562 8.7464 120.0284 61.2820 62.9030 176.7567 56 K 4.0513 8.2117 118.9308 59.0758 32.8685 177.2838 57 Y 4.4425 7.3769 113.9962 59.5397 38.6753 175.6641 58 M 3.9991 7.8450 118.9128 57.3308 32.4887 175.9173 59 G 3.9503 9.8551 113.5596 46.2187 0.0000 173.9634 60 R 4.7706 7.6379 110.5742 53.7814 29.7262 173.7350 61 T 5.6480 8.1289 107.1984 62.7164 72.0100 174.2240 62 S 4.4680 8.1608 114.2351 57.5532 65.3957 174.1142 63 F 4.4520 9.1129 128.3919 58.2293 40.2910 174.5818 64 D 4.5337 7.4493 124.6656 51.2544 41.0477 176.2432 65 S 3.3167 7.6453 117.6427 59.8626 63.3049 176.6673 66 D 4.2013 7.7420 121.0034 57.3640 40.7768 177.5072 67 S 4.7168 7.7388 112.1288 57.3462 63.2374 176.1599 68 W 3.7929 7.8555 118.2505 57.7570 27.3195 174.3084 69 T 4.7057 7.7938 109.0063 62.1562 70.2364 173.0995 70 L 4.1139 8.0849 123.6979 54.1553 44.4948 174.9993 71 R 4.4001 8.3585 126.2455 55.9409 31.4656 175.5651 72 L 4.9957 9.0567 126.6287 53.7471 43.9403 175.3655 73 H 4.7530 9.2372 124.1970 54.6182 30.3296 175.0999 74 N 4.0220 8.5593 114.9081 53.9770 35.8456 174.5561 75 L 4.0905 8.2138 119.2987 55.2383 42.6007 177.3267 76 Q 5.1767 9.4437 120.8563 54.0303 31.4989 176.2678 77 I 4.2236 8.3283 110.0927 61.5642 36.5494 176.4592 78 K 4.5429 7.7640 120.0262 56.9361 34.0737 177.7886 79 D 4.7218 7.7418 116.8921 56.0752 40.8397 175.1766 80 K 4.1294 7.1226 116.3564 57.3590 32.2615 176.1056 81 G 4.0598 8.7870 111.3462 45.7678 0.0000 168.7244 82 L 5.3414 8.1784 121.2820 53.6394 44.1351 175.5619 83 Y 5.2028 9.7097 123.5279 56.1511 42.1448 174.3948 84 Q 4.9484 9.5356 120.5715 54.6121 32.0269 173.1803 85 C 4.3530 9.2422 123.3237 54.9479 41.9545 172.3408 86 I 4.7622 7.3146 125.8666 59.5655 40.9310 174.9798 87 I 4.2914 8.0304 125.0282 60.6900 40.9228 174.6431 88 H 5.0520 8.7432 125.0054 54.8261 32.1289 173.9134 89 H 4.6919 9.2020 118.8308 53.8093 31.0160 170.6418 90 K 4.3439 8.6528 124.1433 56.7009 31.5751 175.9830 91 K 4.5381 8.3791 126.6255 54.1326 33.8626 176.5170 92 P 4.3432 0.0000 0.0000 65.7317 31.4539 178.4906 93 T 3.9117 8.0493 107.7125 63.2033 68.7854 173.5692 94 G 4.3420 6.9450 107.7003 43.1947 0.0000 172.5433 95 M 4.4967 8.0752 121.3836 55.5896 32.9192 176.1197 96 I 4.6362 8.0612 121.3774 59.3041 41.7311 174.7490 97 R 4.5441 8.6691 127.2188 56.5326 30.2953 175.8797 98 I 4.6335 8.6582 117.4716 60.5995 39.3890 174.6823 99 H 4.5106 7.7599 120.7879 55.5139 33.2108 172.5608 100 Q 4.6951 7.9666 125.9648 55.9370 30.8693 172.8820 101 M 4.8274 8.8646 126.8120 53.4955 35.6113 174.7195 102 N 5.5503 8.7121 118.8593 51.9212 41.4785 174.4293 103 S 4.9613 9.4689 117.6024 57.1210 67.8377 172.8608 104 E 4.9951 8.7794 124.6603 54.9727 32.1173 174.5353 105 L 5.4949 9.2036 126.4317 52.4855 45.4243 175.0785 106 S 4.9321 8.7433 122.7414 56.9417 65.2929 173.5320 107 V 5.3141 8.2330 125.6332 60.4753 31.6227 174.6805 108 L 3.8810 7.9365 128.0370 54.3381 42.5384 177.4361 109 A 4.3982 8.4202 125.8053 52.3280 19.0980 176.5304 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 M 8.30 4.38 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 1 L 6.88 5.31 0.00 1.92 1.68 1.02 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.24 5.13 0.00 1.69 1.72 0.00 1.76 0.00 0.00 2.03 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.43 7.81 3 I 8.86 4.59 1.89 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 1.26 0.89 0.94 0.00 0.00 4 Q 8.84 5.00 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 5 A 9.16 4.85 1.21 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 0.00 0.00 0.00 6 Y 8.59 5.18 0.00 3.04 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 7 F 8.81 4.52 0.00 2.95 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 8 N 8.54 4.11 0.00 1.54 2.47 0.00 0.00 7.18 7.25 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 9 E 7.63 4.82 0.00 2.14 1.90 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 2.47 2.54 0.00 10 T 8.51 5.14 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 0.97 0.00 0.00 11 A 8.80 4.60 1.10 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 12 D 8.68 4.63 0.00 2.53 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 13 L 8.16 4.45 0.00 1.04 1.70 0.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 5.07 0.00 2.34 2.17 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 15 C 9.14 4.32 0.00 3.25 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 16 Q 8.43 3.40 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 17 F 7.59 4.00 0.00 2.14 2.30 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 18 A 6.68 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 5.77 3.14 0.00 2.35 2.57 0.00 0.00 7.15 7.63 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 20 S 8.45 4.51 0.00 3.82 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 21 Q 8.30 4.07 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 22 N 6.90 4.05 0.00 2.81 3.14 0.00 0.00 6.96 7.69 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 23 Q 8.82 4.79 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 24 S 8.33 4.70 0.00 4.02 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 25 L 8.61 4.06 0.00 1.65 1.78 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.87 4.95 0.00 3.80 3.82 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 27 E 7.31 4.49 0.00 2.01 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 2.36 2.26 0.00 28 L 7.38 4.70 0.00 1.58 1.49 0.98 0.69 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 29 V 8.23 4.63 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 1.28 0.00 0.00 1.14 0.00 0.00 30 V 8.79 4.70 1.84 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 0.72 0.00 0.00 0.87 0.00 0.00 31 F 7.17 5.68 0.00 3.07 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 32 W 8.99 5.60 0.00 3.20 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 33 Q 9.36 5.64 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 34 D 8.15 4.78 0.00 2.42 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 35 Q 8.34 3.98 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.44 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 36 E 8.19 4.54 0.00 1.96 1.96 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 2.23 2.29 0.00 37 N 7.86 4.21 0.00 2.89 2.90 0.00 0.00 6.82 8.01 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 38 L 8.71 4.64 0.00 2.15 1.86 1.06 0.91 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 39 V 8.17 4.46 2.31 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 1.08 0.00 0.00 0.93 0.00 0.00 40 L 8.76 4.23 0.00 1.50 1.34 0.66 -0.33 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 41 N 8.32 5.15 0.00 2.72 2.59 0.00 0.00 6.30 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 42 E 8.51 5.22 0.00 2.03 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 2.25 2.45 0.00 43 V 9.93 4.41 1.79 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 0.81 0.00 0.00 0.40 0.00 0.00 44 Y 8.75 4.62 0.00 3.28 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 45 L 7.26 4.47 0.00 1.46 1.71 0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.27 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 0.00 0.00 0.00 47 K 8.29 4.38 0.00 1.88 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 48 E 8.46 4.93 0.00 1.90 1.44 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 2.07 2.16 0.00 49 K 8.39 4.52 0.00 1.79 1.66 0.00 1.70 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.37 1.51 7.81 50 F 8.77 4.74 0.00 3.12 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 51 D 8.25 4.48 0.00 2.60 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 52 S 7.80 4.79 0.00 3.74 3.76 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 53 V 7.57 4.45 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 1.01 0.00 0.00 1.09 0.00 0.00 54 H 8.93 4.45 0.00 3.42 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.75 4.26 0.00 4.07 4.12 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 56 K 8.21 4.05 0.00 1.51 1.78 0.00 1.20 0.00 0.00 1.22 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.82 0.21 7.81 57 Y 7.38 4.44 0.00 3.29 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 58 M 7.85 4.00 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 59 G 9.86 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.64 4.77 0.00 2.07 2.09 0.00 2.81 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 61 T 8.13 5.65 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 1.38 0.00 0.00 62 S 8.16 4.47 0.00 3.90 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 63 F 9.11 4.45 0.00 3.02 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 64 D 7.45 4.53 0.00 2.55 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 0.00 0.00 0.00 65 S 7.65 3.32 0.00 3.74 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 66 D 7.74 4.20 0.00 2.78 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 67 S 7.74 4.72 0.00 3.88 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 68 W 7.86 3.79 0.00 3.63 3.68 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 69 T 7.79 4.71 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 1.40 0.00 0.00 70 L 8.08 4.11 0.00 0.62 0.13 0.85 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.36 4.40 0.00 1.77 1.62 0.00 3.09 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 72 L 9.06 5.00 0.00 1.52 1.36 1.11 0.64 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 73 H 9.24 4.75 0.00 3.00 3.21 0.00 6.05 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.56 4.02 0.00 2.80 2.76 0.00 0.00 6.96 7.85 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 75 L 8.21 4.09 0.00 1.87 1.67 1.01 1.14 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 76 Q 9.44 5.18 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 77 I 8.33 4.22 1.81 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 1.26 0.29 0.72 0.00 0.00 78 K 7.76 4.54 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.36 7.81 79 D 7.74 4.72 0.00 2.81 2.95 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 0.00 0.00 0.00 80 K 7.12 4.13 0.00 1.65 1.87 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.48 7.81 81 G 8.79 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 82 L 8.18 5.34 0.00 1.73 1.48 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.71 5.20 0.00 3.00 2.96 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 84 Q 9.54 4.95 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 85 C 9.24 4.35 0.00 1.80 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 86 I 7.31 4.76 0.56 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 1.02 0.42 0.57 0.00 0.00 87 I 8.03 4.29 1.29 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.04 0.49 0.00 0.00 88 H 8.74 5.05 0.00 3.17 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 9.20 4.69 0.00 3.08 3.10 0.00 5.59 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.65 4.34 0.00 1.86 1.74 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 91 K 8.38 4.54 0.00 2.02 1.70 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.50 7.81 92 P 0.00 4.34 0.00 2.05 2.12 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 93 T 8.05 3.91 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 1.20 0.00 0.00 94 G 6.95 4.34 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 0.00 95 M 8.08 4.50 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.75 0.00 96 I 8.06 4.64 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.88 0.00 0.00 97 R 8.67 4.54 0.00 1.84 1.81 0.00 3.14 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 98 I 8.66 4.63 1.86 0.00 0.00 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 1.13 0.58 0.95 0.00 0.00 99 H 7.76 4.51 0.00 2.85 2.60 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.97 4.70 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.49 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 101 M 8.86 4.83 0.00 1.95 2.09 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 2.54 2.51 0.00 102 N 8.71 5.55 0.00 2.58 2.75 0.00 0.00 6.74 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 0.00 103 S 9.47 4.96 0.00 3.83 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 0.00 104 E 8.78 5.00 0.00 2.05 1.85 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 2.30 2.30 0.00 105 L 9.20 5.49 0.00 1.83 1.93 1.00 0.77 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 0.00 106 S 8.74 4.93 0.00 3.78 3.72 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 0.00 107 V 8.23 5.31 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 1.09 0.00 0.00 1.06 0.00 0.00 108 L 7.94 3.88 0.00 0.27 0.54 0.74 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.42 4.40 1.17 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