NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6120 8.2644 122.4786 51.7323 20.3584 175.5069 2 W 4.8877 9.3022 128.9422 54.6421 34.2882 172.2663 3 K 4.4863 7.5637 126.7503 54.5532 35.3502 174.6544 4 G 3.4126 7.3258 112.3048 45.8898 0.0000 171.1094 5 E 5.1448 8.8345 120.6917 54.6310 31.5384 175.3893 6 V 4.4603 8.8986 126.6230 61.0574 33.9869 174.4639 7 L 4.4679 8.5125 128.5762 54.1396 42.2614 178.4608 8 A 3.2177 8.4065 127.0010 54.6388 18.2983 178.0158 9 N 4.9717 7.9176 110.6919 53.1307 37.9632 175.4807 10 N 4.6060 7.9499 120.1759 52.0237 37.5609 174.6593 11 E 2.5627 8.2358 124.3283 58.1356 29.9933 178.0908 12 A 3.9035 7.7667 120.1862 53.0941 18.8190 178.2724 13 G 3.9010 7.8721 99.8089 45.3816 0.0000 172.6534 14 Q 4.5525 8.9089 121.1409 54.0884 30.0678 175.2237 15 V 3.9831 8.4021 127.4324 61.9723 32.3422 175.6731 16 T 3.6729 7.8091 114.1379 59.4452 71.0605 174.3136 17 S 4.3968 7.9936 114.0312 58.8590 63.7294 173.7939 18 I 4.1634 7.4471 123.9902 60.8762 38.2651 174.7373 19 I 4.6468 8.2511 128.3792 59.6368 38.5813 174.8106 20 Y 4.0907 9.0083 130.4583 57.4559 39.6815 174.1706 21 N 5.2501 8.5261 124.1017 50.2796 42.2488 172.6389 22 P 4.2913 0.0000 0.0000 64.7901 31.7207 177.0003 23 G 3.9608 8.9066 111.4269 45.2156 0.0000 173.5023 24 D 4.2966 7.3581 119.5567 54.2833 41.4696 175.5885 25 V 4.8450 8.2641 122.4856 61.1811 34.0490 174.3353 26 I 5.2546 9.1350 120.5110 59.4940 41.5196 174.2048 27 T 5.1913 8.8982 119.4056 61.9222 72.1405 173.0941 28 I 5.0639 8.8130 125.9713 59.4737 41.0628 174.6113 29 V 4.9336 8.7166 125.3549 61.0046 34.4574 173.9582 30 A 5.2895 8.8848 128.9532 50.1948 21.5792 174.9805 31 A 4.3865 9.4147 122.0182 50.9325 23.5732 174.7373 32 G 3.6753 7.8100 103.6001 43.6931 0.0000 172.3410 33 W 5.8528 8.7916 117.4256 55.1543 33.2145 174.6602 34 A 4.9669 9.5733 124.8866 50.8898 22.9701 174.5909 35 S 5.3403 9.1900 113.4077 56.8877 66.2258 173.9420 36 Y 5.1403 8.4627 121.7457 55.3394 38.4654 177.0935 37 G 4.8791 7.5547 120.4792 46.8268 0.0000 171.8891 38 P 4.4638 0.0000 0.0000 61.8282 31.9619 176.7396 39 T 3.9375 8.2581 109.8029 64.4537 69.0321 175.2668 40 Q 3.7691 7.7439 121.5567 55.9019 29.5097 174.9142 41 K 4.9751 7.5823 120.5435 54.4112 35.8915 175.2943 42 W 5.3159 9.9276 121.2663 55.0631 33.7934 176.1494 43 G 4.5096 8.8211 109.1626 44.8110 0.0000 172.2219 44 P 3.6906 0.0000 0.0000 64.0362 31.1899 177.4471 45 Q 4.3970 7.3740 116.6053 55.2108 29.5407 177.2313 46 G 3.7442 8.1651 107.0634 44.8087 0.0000 172.3631 47 D 4.3780 8.0494 121.5954 52.0891 40.9464 178.3350 48 R 2.0000 8.0772 123.6452 57.2427 29.5768 177.1555 49 E 4.2334 8.1139 117.2561 56.6512 30.2243 175.3009 50 H 4.5818 7.4599 119.6684 53.7646 30.7205 173.0845 51 P 4.2255 0.0000 0.0000 62.4736 31.7624 175.4642 52 D 4.4363 8.5075 120.6509 54.4884 41.0536 175.9682 53 Q 4.6077 8.3784 127.4090 56.4377 29.2921 175.5985 54 G 4.3128 8.6860 105.7541 45.9610 0.0000 175.0003 55 L 4.2436 8.2401 119.4660 54.0476 42.1921 178.2615 56 I 3.7208 7.9719 114.7402 63.0528 37.9046 175.7014 57 C 4.6019 8.1322 120.5567 56.6889 32.9906 173.5794 58 H 4.7928 8.7405 123.6053 56.8297 28.6974 175.6361 59 D 4.6585 7.8583 118.1846 53.7412 40.9544 175.4532 60 A 4.3535 7.1259 119.8520 50.2240 22.5732 176.5338 61 F 4.5629 7.9675 117.8187 56.7004 40.0077 175.0724 62 C 4.0695 8.3386 122.8098 61.1448 31.5014 174.5364 63 G 3.3465 8.6048 115.4993 44.1199 0.0000 173.1458 64 A 4.4472 7.4560 121.7415 51.0804 20.3681 176.6707 65 L 4.6392 8.5353 122.3573 55.0009 43.5183 176.4013 66 V 5.1500 8.9092 118.7215 59.9634 36.5265 173.7835 67 M 5.2858 8.8114 117.4072 54.1572 35.0462 174.0396 68 K 4.8587 9.0081 118.4344 54.6228 36.3888 175.4505 69 I 4.5989 8.6315 124.5871 59.2193 39.2811 175.6808 70 G 3.7524 9.0125 120.5801 46.9917 0.0000 173.9699 *71 N 4.8735 8.6985 118.7513 51.9094 37.7957 174.0320 72 S 4.4226 7.7611 114.4349 58.3552 63.7938 173.7321 73 G 3.8613 8.2250 110.6068 45.0041 0.0000 173.2882 74 T 4.3470 8.1693 109.3445 61.7309 70.3596 173.4671 75 I 4.8428 8.5516 124.1392 58.6998 40.7895 173.2648 76 P 4.4066 0.0000 0.0000 63.1390 31.5783 175.9578 77 V 3.9013 8.3958 122.0960 63.4445 33.8214 175.7285 78 N 4.0272 7.9869 118.0885 54.5833 37.5374 177.6651 79 T 3.7723 8.2753 115.2277 63.9066 68.9988 174.3731 80 G 4.6627 6.1721 108.7514 43.5875 0.0000 172.0522 81 L 4.6477 8.2510 119.3010 52.6319 44.8469 175.8421 82 F 4.8043 8.9948 125.1671 57.2046 40.8251 175.6712 83 R 3.7963 7.8237 129.1859 55.6550 27.9427 176.0643 84 W 4.8074 8.7601 127.8791 55.5993 32.8781 174.6326 85 V 4.4891 7.3348 123.6708 60.5742 33.2620 175.2092 86 A 2.8615 7.7649 129.5063 50.3799 18.9461 175.5351 87 P 4.3122 0.0000 0.0000 62.0753 32.0691 176.1322 88 N 4.3315 8.3308 117.2050 55.1318 38.8059 175.3670 89 N 4.2939 8.7916 117.1663 53.6246 36.3396 173.9731 90 V 4.2248 7.2981 119.1073 61.3773 32.4333 175.0015 91 Q 4.8363 8.2905 122.9263 56.0173 30.9456 172.5092 92 G 3.7844 8.7887 104.9562 43.3690 0.0000 172.8518 93 A 4.4813 8.5309 120.8755 52.2704 19.7796 176.9354 94 I 4.5326 8.5927 122.9658 60.7009 38.8510 174.9620 95 T 4.9044 8.7143 124.1734 61.6862 71.2393 173.3097 96 L 5.0064 8.6293 126.5322 53.5915 43.9888 175.7912 97 I 5.0229 8.7415 122.9721 59.6531 41.6385 173.9176 98 Y 4.5692 8.9091 127.5004 57.6286 40.3306 174.0412 99 N 4.6169 8.8300 126.3477 53.4328 40.0158 173.0591 100 D 4.6603 8.2088 125.1753 52.6049 45.8856 173.4684 101 V 4.4490 7.9563 119.4747 60.7467 32.7189 173.6996 102 P 4.7668 0.0000 0.0000 64.7197 31.5760 176.7521 103 G 4.0643 9.5696 111.0478 45.8364 0.0000 173.8028 104 T 4.6633 7.9421 108.0922 61.5738 69.2233 174.8197 105 Y 4.2170 8.3810 120.9770 60.3341 38.3400 177.9206 106 G 3.7132 8.3064 108.6253 48.0445 0.0000 173.8386 107 N 4.7694 8.1108 115.6215 52.5829 37.7997 174.5471 108 N 4.7490 8.0511 117.4234 53.4126 39.6182 174.1465 109 S 4.5544 8.4426 113.8829 57.9744 66.5788 175.2182 110 G 3.6766 9.4697 109.8365 45.9177 0.0000 172.0511 111 S 4.6490 7.4059 110.9925 57.7923 66.1847 174.9968 112 F 5.4037 8.5098 119.2881 55.9170 41.9799 174.5909 113 S 5.0964 9.1620 118.1378 57.2058 64.0670 172.9733 114 V 4.9591 8.8268 126.4856 61.2862 35.0013 173.5362 115 N 5.6185 9.1552 124.8485 51.6606 41.3278 173.7727 116 I 5.1850 9.2628 123.8184 59.6093 40.9834 174.8347 117 G 4.5609 9.1558 112.7492 44.3825 0.0000 171.4229 118 K 4.9100 8.6563 120.1151 55.5786 33.1455 176.3715 119 D 4.8807 9.0237 124.1648 52.2510 43.8123 175.9614 120 Q 4.0716 8.4581 118.6861 56.9724 29.2462 177.5111 121 S 4.1535 8.2903 114.4501 58.9603 62.5586 174.2265 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 A 8.26 4.61 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 2 W 9.30 4.89 0.00 3.39 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 3 K 7.56 4.49 0.00 1.68 1.29 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.01 1.34 7.81 4 G 7.33 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 5.14 0.00 1.99 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 2.32 0.00 6 V 8.90 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 1.14 0.00 0.00 1.18 0.00 0.00 7 L 8.51 4.47 0.00 1.69 1.69 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.41 3.22 0.30 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 9 N 7.92 4.97 0.00 3.01 3.08 0.00 0.00 5.92 8.04 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 10 N 7.95 4.61 0.00 2.86 2.91 0.00 0.00 6.81 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 11 E 8.24 2.56 0.00 1.37 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 0.00 1.92 1.47 0.00 12 A 7.77 3.90 1.23 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 0.00 0.00 13 G 7.87 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.91 4.55 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.72 2.39 0.00 15 V 8.40 3.98 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 0.76 0.00 0.00 0.85 0.00 0.00 16 T 7.81 3.67 2.69 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 -0.05 0.00 0.00 17 S 7.99 4.40 0.00 4.10 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 0.00 18 I 7.45 4.16 1.83 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 1.20 0.93 0.98 0.00 0.00 19 I 8.25 4.65 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.95 0.00 0.00 20 Y 9.01 4.09 0.00 3.15 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 21 N 8.53 5.25 0.00 2.55 2.56 0.00 0.00 6.54 8.75 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 22 P 0.00 4.29 0.00 2.00 2.03 0.00 3.62 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 2.03 2.14 0.00 23 G 8.91 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 24 D 7.36 4.30 0.00 1.58 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 0.00 0.00 0.00 0.00 25 V 8.26 4.85 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 1.10 0.00 0.00 0.93 0.00 0.00 26 I 9.14 5.25 2.08 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 1.87 1.17 1.18 0.00 0.00 27 T 8.90 5.19 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 1.32 0.00 0.00 28 I 8.81 5.06 1.78 0.00 0.00 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 1.11 0.86 0.94 0.00 0.00 29 V 8.72 4.93 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 0.95 0.00 0.00 0.98 0.00 0.00 30 A 8.88 5.29 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 31 A 9.41 4.39 1.14 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 0.00 0.00 0.00 32 G 7.81 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 0.00 0.00 0.00 33 W 8.79 5.85 0.00 3.32 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 34 A 9.57 4.97 0.85 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 35 S 9.19 5.34 0.00 4.12 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 36 Y 8.46 5.14 0.00 3.22 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 37 G 7.55 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.46 0.00 2.23 2.08 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 39 T 8.26 3.94 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 1.17 0.00 0.00 40 Q 7.74 3.77 0.00 1.72 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 41 K 7.58 4.98 0.00 1.53 1.97 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.33 7.81 42 W 9.93 5.32 0.00 3.53 3.28 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 0.00 43 G 8.82 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.69 0.00 1.86 1.09 0.00 3.37 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.45 0.00 45 Q 7.37 4.40 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 46 G 8.17 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.38 0.00 1.58 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 0.00 0.00 0.00 48 R 8.08 2.00 0.00 1.20 1.36 0.00 3.04 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 1.43 1.46 0.00 49 E 8.11 4.23 0.00 2.06 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 2.25 2.42 0.00 50 H 7.46 4.58 0.00 2.96 2.82 0.00 5.95 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 51 P 0.00 4.23 0.00 2.10 1.96 0.00 3.43 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 52 D 8.51 4.44 0.00 2.66 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 53 Q 8.38 4.61 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 54 G 8.69 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 0.00 0.00 0.00 0.00 55 L 8.24 4.24 0.00 1.51 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.97 3.72 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 1.06 0.00 0.00 57 C 8.13 4.60 0.00 2.87 2.81 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 0.00 0.00 0.00 58 H 8.74 4.79 0.00 3.16 3.26 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.86 4.66 0.00 2.59 2.60 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 60 A 7.13 4.35 1.06 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 61 F 7.97 4.56 0.00 3.23 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 62 C 8.34 4.07 0.00 2.67 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 0.00 0.00 0.00 63 G 8.60 3.35 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 0.00 64 A 7.46 4.45 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 65 L 8.54 4.64 0.00 1.74 1.57 1.20 0.92 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 66 V 8.91 5.15 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 0.66 0.00 0.00 0.98 0.00 0.00 67 M 8.81 5.29 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 68 K 9.01 4.86 0.00 1.64 1.67 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 69 I 8.63 4.60 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 1.03 0.00 0.00 70 G 9.01 3.75 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 0.00 0.00 0.00 *71 N 8.70 4.87 0.00 2.75 2.69 0.00 0.00 6.54 7.64 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 72 S 7.76 4.42 0.00 4.00 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 73 G 8.22 3.86 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 0.00 0.00 0.00 74 T 8.17 4.35 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 1.23 0.00 0.00 75 I 8.55 4.84 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.88 0.00 0.00 76 P 0.00 4.41 0.00 1.84 1.88 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 77 V 8.40 3.90 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 0.90 0.00 0.00 0.74 0.00 0.00 78 N 7.99 4.03 0.00 2.83 2.27 0.00 0.00 6.82 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 79 T 8.28 3.77 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 1.12 0.00 0.00 80 G 6.17 4.66 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 0.00 0.00 0.00 81 L 8.25 4.65 0.00 1.47 1.30 -0.29 0.64 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 82 F 8.99 4.80 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 83 R 7.82 3.80 0.00 1.70 1.77 0.00 2.82 0.00 0.00 2.83 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 84 W 8.76 4.81 0.00 3.28 3.14 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 0.00 85 V 7.33 4.49 1.82 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 0.76 0.00 0.00 0.88 0.00 0.00 86 A 7.76 2.86 0.66 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 0.00 0.00 87 P 0.00 4.31 0.00 2.14 1.93 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 88 N 8.33 4.33 0.00 2.68 2.74 0.00 0.00 7.01 8.00 0.00 0.00 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 N 8.79 4.29 0.00 2.89 2.97 0.00 0.00 6.84 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 90 V 7.30 4.22 2.18 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 0.77 0.00 0.00 0.97 0.00 0.00 91 Q 8.29 4.84 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.20 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 G 8.79 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 93 A 8.53 4.48 1.22 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 94 I 8.59 4.53 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.78 0.00 0.00 95 T 8.71 4.90 4.18 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 1.16 0.00 0.00 96 L 8.63 5.01 0.00 1.58 1.62 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.74 5.02 1.94 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 1.12 0.77 1.01 0.00 0.00 98 Y 8.91 4.57 0.00 3.16 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 99 N 8.83 4.62 0.00 2.86 2.58 0.00 0.00 6.31 8.07 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 0.00 100 D 8.21 4.66 0.00 2.19 1.54 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 0.00 0.00 0.00 0.00 101 V 7.96 4.45 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 1.18 0.00 0.00 0.92 0.00 0.00 102 P 0.00 4.77 0.00 2.13 2.06 0.00 3.88 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 103 G 9.57 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 0.00 104 T 7.94 4.66 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 1.34 0.00 0.00 105 Y 8.38 4.22 0.00 3.09 3.24 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 0.00 106 G 8.31 3.71 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 0.00 0.00 0.00 107 N 8.11 4.77 0.00 2.89 3.06 0.00 0.00 6.31 6.96 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 0.00 108 N 8.05 4.75 0.00 2.96 2.65 0.00 0.00 6.51 7.45 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 0.00 109 S 8.44 4.55 0.00 3.91 3.87 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 0.00 110 G 9.47 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 0.00 0.00 0.00 111 S 7.41 4.65 0.00 3.84 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 0.00 112 F 8.51 5.40 0.00 3.09 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 0.00 113 S 9.16 5.10 0.00 3.91 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 0.00 114 V 8.83 4.96 2.49 0.00 0.00 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 0.00 0.00 1.12 0.00 0.00 115 N 9.16 5.62 0.00 2.69 2.72 0.00 0.00 6.46 7.00 0.00 0.00 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 I 9.26 5.19 2.07 0.00 0.00 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 1.25 1.10 0.98 0.00 0.00 117 G 9.16 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 0.00 118 K 8.66 4.91 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 119 D 9.02 4.88 0.00 2.51 2.52 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 0.00 0.00 0.00 120 Q 8.46 4.07 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 121 S 8.29 4.15 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.