NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2721 8.2601 123.5866 52.4049 19.7846 176.1444 3 A 4.5164 8.5224 123.4435 50.0162 20.7527 170.2439 4 V 4.5725 8.5871 117.1214 61.9743 34.7124 172.9746 5 T 4.6721 9.7552 126.4716 62.0601 71.1686 174.1021 6 Q 5.1123 9.5713 124.9786 53.3718 32.5079 174.1238 7 S 5.5153 7.6160 125.7212 57.7040 65.7279 174.5911 8 P 4.7375 0.0000 0.0000 63.0585 31.4495 176.1061 9 R 4.4577 8.2624 115.3809 56.9437 31.5723 176.1155 10 N 5.1308 7.6820 116.0441 52.5868 41.7798 173.3381 11 K 4.7673 9.2512 127.0569 54.6229 36.3666 174.7565 12 V 4.6539 8.3903 123.5745 61.1464 34.3669 174.3385 13 A 4.7903 9.1691 127.9062 50.4156 23.3756 174.8108 14 V 4.4734 8.3373 118.8064 61.0730 33.9976 175.4385 15 T 4.0472 8.4969 122.4951 65.8661 68.6587 174.4974 16 G 4.2297 10.0618 115.1148 44.2658 0.0000 173.1006 17 E 4.4428 7.7770 118.0339 55.1499 32.3382 175.0503 18 K 4.8599 8.4018 120.5130 54.6743 34.4253 175.0541 19 V 4.4220 8.7749 127.6831 61.2858 34.8127 174.4173 20 T 4.7382 8.3057 122.8929 61.7889 71.4500 173.0767 21 L 4.3089 7.7427 127.4712 53.6426 42.8738 176.8208 22 S 5.1390 8.7220 119.8840 57.4800 66.3891 172.3816 23 C 5.4073 7.9915 115.3980 56.3382 46.0666 172.5629 24 Q 6.0194 9.5364 125.4263 53.0992 32.2719 174.2914 25 Q 4.9139 8.8025 120.7110 54.7480 31.0559 175.1517 26 T 4.3523 8.3788 109.8582 62.3078 70.5453 176.3307 27 N 4.0287 7.9988 119.5941 57.2048 39.0430 175.9468 28 N 4.6405 7.9750 113.6017 54.5458 35.1865 174.3567 29 H 4.9473 10.6223 115.1211 54.2685 31.1570 176.1457 30 N 3.9392 8.4268 122.1036 55.2528 38.7729 174.3451 31 N 5.0390 7.3477 112.4023 52.9149 40.1962 173.9633 32 M 4.7842 8.0005 120.4515 54.7837 37.5801 173.1033 33 Y 5.2624 9.6213 117.0473 56.4339 43.1140 174.4679 34 W 5.1282 9.2596 121.7677 55.2878 32.7944 174.3388 35 Y 5.9641 9.7035 121.1372 55.5385 41.7080 174.5172 36 R 5.0540 8.4919 116.1124 54.5477 32.7828 174.6022 37 Q 4.4477 8.9175 122.4467 55.8160 29.8344 175.8895 38 D 4.1635 9.1236 121.2484 55.1139 42.9359 175.2079 39 T 3.3238 8.3579 114.6189 66.9267 64.7277 172.8792 40 G 3.8883 9.5817 116.5569 45.1962 0.0000 171.3148 41 H 4.7869 7.6779 115.0973 53.4358 32.0477 173.7641 42 G 3.8258 8.7975 113.4861 45.1219 0.0000 172.1403 43 L 4.0659 8.2694 118.2473 55.7626 42.0797 177.4131 44 R 4.6693 8.5837 123.2473 54.6277 32.4486 175.5104 45 L 4.2545 8.6506 125.9351 55.3267 43.0273 176.5059 46 I 4.2460 9.3034 128.2634 62.7547 38.1427 175.2144 47 H 5.4635 8.0899 117.9143 54.3932 33.5675 171.6380 48 Y 5.2198 8.0199 119.5416 55.4932 41.7973 173.8834 49 S 4.3744 8.1284 112.0691 57.1119 65.9539 174.1595 50 Y 4.7197 8.3642 121.9642 56.6138 38.2250 175.6434 51 G 3.9834 7.2303 110.1030 44.8237 0.0000 172.2743 52 A 4.0434 8.2371 122.4512 53.8654 18.6044 176.9196 53 G 4.1368 8.7305 110.5762 45.0904 0.0000 173.9693 54 S 4.7820 7.3981 112.9851 56.4703 64.6570 172.7868 55 T 4.7350 7.9532 114.7952 60.3766 72.1526 172.2674 56 E 4.6194 8.8618 121.6242 53.9136 34.1410 175.3708 57 K 4.1006 8.5227 121.1581 56.4764 32.3788 178.3619 58 G 4.2199 8.6528 118.2974 47.1294 0.0000 173.9096 59 D 4.8813 8.9483 121.4127 54.6031 41.6074 177.5736 60 I 4.6720 7.2140 111.7272 58.7493 37.2300 173.2841 61 P 4.8809 0.0000 0.0000 63.1441 31.9850 175.4150 62 D 4.7569 8.2262 118.7085 53.8822 42.2058 176.0161 63 G 3.5408 8.4162 115.7233 46.8544 0.0000 172.1338 *65 Y 4.6874 7.6330 114.7863 57.6213 39.3785 175.2968 66 K 4.6583 9.0451 121.7927 54.7566 35.9484 174.5036 67 A 4.9561 7.9772 121.5090 51.0197 22.8363 175.8869 68 S 4.3019 8.3507 113.3658 57.6997 66.1433 173.1758 69 R 5.1332 9.1370 129.1832 53.7538 29.5816 174.1553 70 P 4.3854 0.0000 0.0000 63.5422 32.6214 176.5584 71 S 4.7906 7.6217 111.9303 55.4317 65.7882 174.1342 72 Q 3.9362 8.6864 121.5455 58.8341 28.6920 177.4663 73 E 4.4369 8.1510 113.5558 56.3038 30.9453 174.8536 74 Q 5.2952 7.5567 118.8633 54.2895 32.0397 174.7590 75 F 5.3225 9.1277 125.2680 57.3915 43.0356 172.8778 76 S 5.0448 8.4605 122.7740 56.4664 65.1163 173.9228 77 L 3.6797 6.5209 125.9494 54.8552 43.4783 175.6013 78 I 4.6971 8.4417 123.2893 59.5531 41.7461 174.1311 79 L 4.9192 9.1935 126.9855 53.1547 43.6943 176.9865 80 E 3.9747 8.8864 122.2186 57.2751 31.0468 175.6642 81 S 4.5525 7.5166 114.5813 55.3909 63.8500 172.9052 82 A 4.6759 10.1432 129.8242 51.7547 19.4351 176.1400 83 T 4.7432 8.1445 109.7121 58.9844 72.3419 173.2221 84 P 4.7770 0.0000 0.0000 65.0374 31.5033 179.3090 85 S 4.1787 7.5030 113.4319 61.1010 62.6540 175.0059 86 Q 4.5672 7.8181 117.8060 56.2217 28.9133 175.4608 87 T 4.3255 7.6767 116.5641 63.3037 69.3057 174.0160 88 S 4.5895 8.2335 119.4310 58.7015 67.7207 175.0410 89 V 5.1214 7.4413 119.9229 60.5996 33.7882 173.9821 90 Y 5.2882 8.4976 124.1811 56.3640 41.5072 174.1553 91 F 5.3347 9.2838 123.3879 55.8970 40.9039 175.1894 92 C 3.8822 10.6251 125.4453 55.1872 43.8164 171.7726 93 A 4.7788 7.6336 119.9856 51.5414 21.6093 176.3261 94 S 4.8740 7.6087 117.2804 56.6785 66.3825 173.3605 95 G 4.4691 8.1282 107.6157 45.8976 0.0000 174.3279 96 G 4.0195 8.5011 111.3706 44.4194 0.0000 174.1038 97 G 4.0457 8.3239 119.6716 45.9482 0.0000 173.4519 98 G 3.8371 8.7585 113.7162 45.6937 0.0000 173.3427 99 T 4.2008 7.5301 117.1087 62.5711 69.4421 173.7290 100 L 4.9425 8.1184 124.9057 53.3289 44.6416 176.0680 101 Y 4.6305 8.2138 119.0879 57.4685 37.9918 175.2738 *108 F 4.8263 8.0709 116.1393 57.7029 40.8817 177.0505 109 G 4.2306 8.3175 107.6476 45.5934 0.0000 172.9516 110 A 4.6539 9.0279 120.9544 51.6067 19.7348 176.9279 111 G 3.3733 7.5696 102.1011 43.5342 0.0000 173.7321 112 T 4.6961 8.4166 118.7465 61.2470 71.7459 173.4759 113 R 4.3084 8.4004 127.6044 56.2008 31.6265 175.0822 114 L 5.3844 8.9335 126.6118 52.7796 46.2639 175.0113 115 S 4.8383 8.6862 120.4678 56.9801 67.0303 172.9583 116 V 4.5984 8.3427 125.6032 60.8124 32.6288 175.5312 117 L 4.2855 9.1988 127.9540 54.8422 41.0836 177.2473 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 A 8.26 4.27 1.31 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 3 A 8.52 4.52 1.26 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 0.00 0.00 0.00 4 V 8.59 4.57 2.16 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 0.85 0.00 0.00 1.08 0.00 0.00 5 T 9.76 4.67 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 1.25 0.00 0.00 6 Q 9.57 5.11 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.26 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 7 S 7.62 5.52 0.00 3.90 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 8 P 0.00 4.74 0.00 2.37 2.06 0.00 3.76 0.00 0.00 3.63 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 9 R 8.26 4.46 0.00 1.77 2.02 0.00 3.36 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 10 N 7.68 5.13 0.00 2.70 2.66 0.00 0.00 6.70 6.68 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 11 K 9.25 4.77 0.00 1.80 1.55 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 12 V 8.39 4.65 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.17 4.79 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 14 V 8.34 4.47 2.07 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 0.98 0.00 0.00 0.92 0.00 0.00 15 T 8.50 4.05 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 1.26 0.00 0.00 16 G 10.06 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 0.00 0.00 0.00 0.00 17 E 7.78 4.44 0.00 2.07 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 0.00 2.40 2.21 0.00 18 K 8.40 4.86 0.00 1.93 1.67 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.43 7.81 19 V 8.77 4.42 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 0.81 0.00 0.00 0.88 0.00 0.00 20 T 8.31 4.74 4.14 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 1.14 0.00 0.00 21 L 7.74 4.31 0.00 0.43 1.11 0.08 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.72 5.14 0.00 3.96 3.85 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 23 C 7.99 5.41 0.00 3.21 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.54 6.02 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 25 Q 8.80 4.91 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 26 T 8.38 4.35 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 1.20 0.00 0.00 27 N 8.00 4.03 0.00 2.14 2.30 0.00 0.00 7.23 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 28 N 7.98 4.64 0.00 2.69 3.13 0.00 0.00 6.77 8.16 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 29 H 10.62 4.95 0.00 3.23 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.43 3.94 0.00 2.72 3.04 0.00 0.00 7.03 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 31 N 7.35 5.04 0.00 2.82 2.70 0.00 0.00 6.97 7.54 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 32 M 8.00 4.78 0.00 1.84 1.47 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 33 Y 9.62 5.26 0.00 2.99 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 0.00 0.00 0.00 0.00 34 W 9.26 5.13 0.00 3.14 3.02 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 35 Y 9.70 5.96 0.00 3.17 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 36 R 8.49 5.05 0.00 1.64 1.33 0.00 3.00 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 37 Q 8.92 4.45 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 38 D 9.12 4.16 0.00 2.77 2.61 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 0.00 0.00 0.00 0.00 39 T 8.36 3.32 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 1.20 0.00 0.00 40 G 9.58 3.89 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 0.00 0.00 0.00 41 H 7.68 4.79 0.00 3.40 3.16 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.80 3.83 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 0.00 0.00 0.00 43 L 8.27 4.07 0.00 1.30 1.46 0.20 0.96 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 44 R 8.58 4.67 0.00 1.79 1.91 0.00 3.09 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 45 L 8.65 4.25 0.00 1.86 1.61 0.65 1.22 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 46 I 9.30 4.25 1.88 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.94 0.80 0.00 0.00 47 H 8.09 5.46 0.00 3.11 3.28 0.00 5.56 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 48 Y 8.02 5.22 0.00 2.62 3.15 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 49 S 8.13 4.37 0.00 2.91 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 50 Y 8.36 4.72 0.00 2.91 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 51 G 7.23 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 52 A 8.24 4.04 1.25 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 0.00 0.00 53 G 8.73 4.14 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 0.00 54 S 7.40 4.78 0.00 3.75 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 55 T 7.95 4.74 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 1.30 0.00 0.00 56 E 8.86 4.62 0.00 1.16 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 1.77 2.04 0.00 57 K 8.52 4.10 0.00 1.65 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.48 7.81 58 G 8.65 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 59 D 8.95 4.88 0.00 2.64 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 60 I 7.21 4.67 1.97 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 1.67 1.01 0.95 0.00 0.00 61 P 0.00 4.88 0.00 2.12 2.24 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 62 D 8.23 4.76 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 63 G 8.42 3.54 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 0.00 0.00 0.00 *65 Y 7.63 4.69 0.00 3.11 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 66 K 9.05 4.66 0.00 1.56 1.60 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.31 7.81 67 A 7.98 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.35 4.30 0.00 3.80 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 69 R 9.14 5.13 0.00 2.03 1.82 0.00 3.65 0.00 0.00 3.08 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 70 P 0.00 4.39 0.00 2.23 2.17 0.00 3.99 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 71 S 7.62 4.79 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 72 Q 8.69 3.94 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 73 E 8.15 4.44 0.00 2.34 2.21 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 2.30 2.26 0.00 74 Q 7.56 5.30 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 75 F 9.13 5.32 0.00 2.93 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 76 S 8.46 5.04 0.00 3.60 3.63 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 77 L 6.52 3.68 0.00 0.27 0.52 0.74 0.36 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 78 I 8.44 4.70 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.27 0.81 0.00 0.00 79 L 9.19 4.92 0.00 1.56 1.45 0.78 0.72 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 80 E 8.89 3.97 0.00 2.01 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 2.14 2.17 0.00 81 S 7.52 4.55 0.00 3.83 3.70 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 82 A 10.14 4.68 1.28 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 0.00 0.00 83 T 8.14 4.74 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 1.21 0.00 0.00 84 P 0.00 4.78 0.00 2.21 2.15 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 85 S 7.50 4.18 0.00 3.81 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 86 Q 7.82 4.57 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 87 T 7.68 4.33 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 1.33 0.00 0.00 88 S 8.23 4.59 0.00 3.94 3.34 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 89 V 7.44 5.12 2.19 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 1.20 0.00 0.00 0.97 0.00 0.00 90 Y 8.50 5.29 0.00 3.10 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 91 F 9.28 5.33 0.00 3.24 3.32 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 92 C 10.63 3.88 0.00 2.08 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 93 A 7.63 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.61 4.87 0.00 4.07 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 95 G 8.13 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.50 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 97 G 8.32 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 0.00 0.00 0.00 98 G 8.76 3.84 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 0.00 0.00 0.00 99 T 7.53 4.20 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 0.81 0.00 0.00 100 L 8.12 4.94 0.00 1.58 1.05 0.87 0.37 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 0.00 101 Y 8.21 4.63 0.00 3.13 2.91 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 *108 F 8.07 4.83 0.00 2.94 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 0.00 109 G 8.32 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 0.00 0.00 0.00 0.00 110 A 9.03 4.65 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 0.00 111 G 7.57 3.37 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 0.00 112 T 8.42 4.70 4.42 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 1.27 0.00 0.00 113 R 8.40 4.31 0.00 1.94 1.99 0.00 3.07 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 114 L 8.93 5.38 0.00 1.90 1.72 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.69 4.84 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 0.00 116 V 8.34 4.60 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 1.00 0.00 0.00 0.97 0.00 0.00 117 L 9.20 4.29 0.00 1.59 1.57 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.