NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3983 8.3349 115.3000 57.5710 64.3222 173.0873 3 L 4.5668 7.8165 119.2847 52.9191 43.1654 173.8225 4 D 4.9046 9.6190 125.9998 52.9521 42.7029 175.3882 5 W 5.1502 8.8893 123.5274 55.6787 31.4818 175.5372 6 T 4.7812 8.4929 115.5731 61.2606 70.6488 171.9940 7 C 5.2755 8.8579 127.0164 57.9501 33.9257 172.8084 8 K 4.8320 9.0422 126.0772 54.4815 35.2713 175.7705 9 H 4.2356 8.7015 123.0052 55.7401 30.6534 175.8324 10 H 4.2422 8.6599 121.4189 58.8077 28.2336 177.2478 11 A 4.1004 8.0588 121.2247 54.2939 18.3702 177.4116 12 D 4.7416 8.1528 114.3917 54.1412 41.3830 177.0228 13 L 4.3895 7.5239 120.5967 54.9519 42.3052 177.4274 14 T 4.5023 8.5346 112.9284 60.3043 71.7174 176.0913 15 L 3.9712 8.3490 122.0205 58.0956 41.6599 179.5006 16 K 3.8770 8.1580 118.7711 59.8030 31.9940 178.3216 17 E 4.2745 8.4607 118.7206 59.4106 29.4777 178.9829 18 L 3.9507 8.2040 120.5094 58.3568 42.1392 178.3162 19 Y 3.9734 8.4323 119.4039 60.7752 38.7122 177.9458 20 A 4.0815 8.5027 122.0510 55.0832 18.4158 179.5956 21 L 3.6128 8.0365 118.3583 58.7315 40.5015 179.5680 22 L 3.8235 7.8244 119.9013 57.1966 41.4281 179.1411 23 Q 3.6763 8.1438 120.0616 58.9469 28.9033 178.0778 24 L 3.7614 7.9688 121.6279 58.1191 42.0743 179.0103 25 R 3.8079 7.9202 118.0800 59.6307 30.0397 179.1419 26 T 3.8878 8.2368 115.7359 66.7219 68.4549 176.0595 27 E 3.8345 8.2486 121.2732 58.9084 29.5373 178.6452 28 V 3.6634 7.2758 117.0644 65.2985 31.9259 178.0717 29 F 4.5228 7.7962 116.1000 59.7903 38.9456 177.3641 30 V 4.5371 7.7248 118.3716 64.6405 32.0165 177.8509 31 V 3.6396 7.8818 118.1674 65.9415 31.3466 177.9469 32 E 3.9954 8.0743 116.0935 58.9940 29.7050 177.6073 33 Q 4.2063 7.9494 115.7008 55.0200 29.5077 175.6991 34 K 3.7651 7.5866 117.0629 57.6631 29.9359 175.9230 35 C 4.6201 8.4712 118.0742 56.8156 33.5972 171.9397 36 P 4.8633 0.0000 0.0000 62.2515 28.9637 174.6014 37 Y 4.7347 7.7136 119.3617 55.5896 40.9510 177.3115 38 Q 3.9866 8.0918 121.7486 54.6416 27.3654 174.4283 39 E 3.2068 7.8109 123.8930 58.2931 29.9662 177.7566 40 V 3.9136 7.4547 119.6836 61.7608 29.7145 174.9751 41 D 4.4108 8.0669 120.8245 53.2308 40.0482 178.3299 42 G 3.9175 8.3092 108.1904 45.7712 0.0000 173.8037 43 L 4.5722 7.8882 117.8095 54.5743 42.2974 177.2745 44 D 4.6844 8.0780 119.3939 56.2759 41.2797 176.8627 45 L 4.6493 7.6688 118.1963 54.4247 42.5899 176.2043 46 V 4.5202 7.1980 110.0290 59.8290 37.0465 180.8251 47 G 3.9670 8.4855 111.3564 47.1139 0.0000 173.9247 48 D 5.1077 8.0008 119.3893 53.7946 42.1393 175.3516 49 T 4.3629 8.3832 113.6197 62.9130 68.6551 172.5843 50 H 5.5227 9.5223 123.9809 54.3713 33.0499 172.4098 51 H 5.2637 9.1891 116.9023 54.1707 32.3303 173.1536 52 L 5.4617 8.6886 124.4362 52.6054 45.3552 174.7107 *54 A 3.7679 8.2001 121.8101 51.3287 19.7498 175.8346 55 W 5.1871 8.5476 122.3495 55.2472 33.3566 175.1867 56 R 4.5312 9.2121 117.2605 57.2351 33.3514 174.1743 57 D 4.4204 9.9166 124.5741 55.6155 39.5716 173.4409 58 G 4.1572 8.4438 100.5282 46.3271 0.0000 173.3151 59 Q 4.6494 8.2773 117.5369 53.4470 31.9394 174.6289 60 L 3.3675 7.8593 123.1055 53.9237 42.3027 175.8320 61 L 4.4457 8.4370 126.7520 55.5227 43.6745 176.5941 62 A 5.1325 7.2544 117.8225 50.6675 22.4755 174.7816 63 Y 5.4532 9.3366 119.7705 57.8571 43.0141 173.1878 64 L 4.7468 6.9775 122.2774 55.3543 43.9421 173.5780 65 R 5.0040 8.9680 120.7673 54.5473 33.4729 174.4187 66 L 5.3252 8.7151 123.6572 53.0493 45.1882 175.3821 67 L 4.9201 8.6917 124.6588 52.8558 43.8831 176.0942 68 D 3.3700 8.3838 123.0657 51.7018 40.5184 175.4237 69 P 4.3576 0.0000 0.0000 65.2430 31.2439 178.8582 70 V 3.5450 7.6315 110.9644 63.9147 31.4998 176.9327 71 R 4.2345 7.4837 115.9046 56.8461 30.8427 175.9584 72 H 4.7331 7.0976 115.1919 56.3026 29.8367 172.9640 73 E 3.4742 9.1531 112.8160 57.6147 27.2922 176.5347 74 G 3.9059 8.4148 102.6729 45.6454 0.0000 173.1539 75 Q 4.8594 7.8697 118.6321 53.5526 32.5525 174.9736 76 V 3.8144 8.5126 124.0205 61.2573 33.0796 175.0809 77 V 4.7687 8.1074 125.0659 61.5293 33.2864 174.3146 78 I 4.8472 8.6668 129.0186 60.0243 39.1645 175.0867 79 G 3.8777 9.0895 111.9287 45.6402 0.0000 172.8825 80 R 4.0053 8.3342 115.1735 56.9456 27.6929 176.6421 81 V 4.2324 8.0786 117.8400 63.0466 31.9470 175.3171 82 V 4.6591 9.5095 127.4813 60.3101 35.2187 174.5356 83 S 5.0474 8.2661 116.4126 56.5767 67.0705 173.9369 84 S 3.9966 9.2899 119.5935 58.4600 62.5669 174.7265 85 S 4.0104 9.0836 120.9608 61.9801 61.7523 176.6653 86 A 4.0689 7.8513 121.0608 54.7372 18.2905 178.5619 87 A 4.1587 7.8759 117.6496 52.5340 18.7263 177.8383 88 R 4.1771 6.8243 115.6601 56.9219 30.7342 176.9069 89 G 4.0224 8.9713 109.0680 45.7425 0.0000 174.1974 90 Q 4.3443 7.3784 117.2996 55.7807 28.3429 176.1548 91 G 3.9969 8.2306 105.6976 46.8111 0.0000 176.2132 92 L 4.3698 8.1376 122.4917 57.1275 41.2693 179.1890 93 G 3.8162 8.2003 104.8951 48.2487 0.0000 174.6020 94 H 4.6127 8.2118 120.4410 58.5801 30.3177 176.8038 95 Q 4.0023 7.8725 118.5580 58.7525 28.3999 178.7328 96 L 4.1174 8.0367 115.9248 55.9625 41.1575 178.2633 *98 E 4.2639 8.0019 121.4891 56.3661 31.2898 178.2018 99 R 3.7696 8.1346 117.7610 58.8781 29.9078 178.9478 100 A 4.0200 8.3518 121.2874 55.1232 18.3699 179.7249 101 L 4.0571 7.8558 117.1018 57.9669 41.9601 179.2917 102 Q 3.9571 8.3234 119.5343 59.0441 28.9943 178.2141 103 A 4.0625 8.3621 122.0919 54.7847 18.4241 179.3935 104 A 4.2345 8.4737 119.7703 55.4465 18.1685 179.5310 105 E 3.9283 8.2940 118.1404 59.2581 29.4925 179.1707 106 R 3.9063 7.4114 114.1674 58.7523 29.7162 178.2807 107 L 3.7063 7.2812 118.5794 55.5783 42.9915 177.3775 108 W 5.2322 8.1514 117.7748 54.8376 29.9652 174.8467 109 L 4.0197 7.6699 117.5988 56.4007 42.2456 176.2999 110 D 4.5550 8.8651 123.1642 55.1419 38.4373 173.4054 111 T 4.5258 7.6896 116.4943 61.2795 70.0341 173.1220 112 P 4.6302 0.0000 0.0000 62.9461 33.0543 175.0333 113 V 5.0961 8.6097 120.8694 61.4769 34.6386 173.7521 114 Y 5.3995 9.0872 127.2042 56.0462 42.4128 173.8022 115 L 4.5918 7.1327 123.2051 54.3671 43.6573 174.5072 116 S 4.4311 8.2808 115.4839 57.1544 63.4125 172.9064 117 A 4.6222 8.5114 129.2108 49.5859 22.2686 175.4731 118 Q 3.9224 8.4900 119.5114 55.7998 29.1870 177.7604 119 A 3.9916 8.7786 128.2156 54.8158 18.5912 177.9873 120 H 4.6111 8.0272 109.9676 56.5230 29.2488 175.7349 121 L 4.6363 7.3493 120.4456 55.4419 40.7440 178.3767 122 Q 4.1034 8.3390 122.5354 60.3908 28.8750 177.5418 123 A 4.1285 8.0046 121.2777 55.2657 18.0850 178.5661 124 Y 3.9890 7.7829 117.7562 61.2290 38.7554 178.0142 125 Y 4.2139 7.9663 115.8102 60.1376 37.9801 178.0392 126 G 3.7783 8.2783 107.3472 48.0259 0.0000 175.6426 127 R 3.3832 7.1957 119.0868 59.0675 30.1564 176.9234 128 Y 4.3377 8.3457 113.2269 57.7904 38.3625 176.8060 129 G 3.9874 9.3063 110.1905 45.0587 0.0000 173.2570 130 F 4.7465 8.2326 118.4154 56.9019 40.4416 174.7261 131 V 4.6347 8.6942 122.0388 60.6519 34.4178 175.0704 132 A 4.3854 8.7972 128.8858 52.1842 18.7746 177.5976 133 V 4.4907 9.2479 114.2598 60.8475 33.3353 175.2227 134 T 4.7313 7.5884 108.8187 59.8279 71.6822 172.7298 135 E 4.2840 8.5096 123.0641 55.4876 30.5290 175.9287 136 V 4.2077 8.0499 121.6981 62.9784 32.3272 174.3041 137 Y 5.0152 8.4171 123.8325 55.5671 41.9963 173.3658 138 L 4.8176 8.6289 121.3750 53.8826 44.3853 176.0879 139 E 4.2999 8.7781 123.3180 55.3997 32.3924 175.1351 140 D 4.1869 9.4549 126.2660 56.0537 39.3268 172.8160 141 D 4.3771 7.9688 112.3900 54.9395 39.5334 173.4327 142 I 4.5380 7.6473 120.6294 58.1489 40.3362 173.0918 143 P 4.8562 0.0000 0.0000 63.5519 32.4908 175.0711 144 H 5.1882 9.3409 120.5368 54.4326 33.5764 171.7932 145 I 4.3622 8.3447 117.7090 60.0774 41.8130 174.6875 146 G 4.5802 10.0725 117.4664 45.0037 0.0000 172.2598 *148 R 4.8863 8.2576 115.0623 56.0297 31.4599 174.5508 149 R 4.6465 8.9931 120.7349 53.1029 32.3390 175.6477 150 A 4.1345 8.4853 128.3692 52.5238 18.3975 176.7268 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 S 8.33 4.40 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.57 0.00 1.78 1.64 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.62 4.90 0.00 2.70 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 5 W 8.89 5.15 0.00 3.21 3.21 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 6 T 8.49 4.78 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 7 C 8.86 5.28 0.00 3.08 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 8 K 9.04 4.83 0.00 1.85 1.74 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 H 8.70 4.24 0.00 3.07 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.66 4.24 0.00 3.61 3.79 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.06 4.10 1.24 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 0.00 0.00 12 D 8.15 4.74 0.00 2.77 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 13 L 7.52 4.39 0.00 1.64 1.66 0.90 0.98 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 14 T 8.53 4.50 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 1.19 0.00 0.00 15 L 8.35 3.97 0.00 1.70 1.77 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.16 3.88 0.00 1.77 1.82 0.00 1.84 0.00 0.00 2.02 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.55 1.48 7.81 17 E 8.46 4.27 0.00 2.38 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 0.00 2.60 2.35 0.00 18 L 8.20 3.95 0.00 1.91 1.88 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.43 3.97 0.00 3.12 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 20 A 8.50 4.08 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 0.00 0.00 21 L 8.04 3.61 0.00 1.01 1.63 0.72 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.82 3.82 0.00 1.64 1.58 0.87 0.57 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 23 Q 8.14 3.68 0.00 1.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 24 L 7.97 3.76 0.00 1.54 1.40 0.76 0.71 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 25 R 7.92 3.81 0.00 2.06 2.34 0.00 3.31 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.66 0.00 26 T 8.24 3.89 4.30 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 1.19 0.00 0.00 27 E 8.25 3.83 0.00 2.03 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 2.23 2.27 0.00 28 V 7.28 3.66 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.81 0.00 0.00 29 F 7.80 4.52 0.00 3.52 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 30 V 7.72 4.54 2.39 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 1.54 0.00 0.00 1.18 0.00 0.00 31 V 7.88 3.64 2.29 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 0.99 0.00 0.00 0.97 0.00 0.00 32 E 8.07 4.00 0.00 2.11 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 0.00 2.39 2.24 0.00 33 Q 7.95 4.21 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 34 K 7.59 3.77 0.00 1.86 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 35 C 8.47 4.62 0.00 3.01 2.98 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 36 P 0.00 4.86 0.00 2.26 2.12 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 37 Y 7.71 4.73 0.00 3.10 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 38 Q 8.09 3.99 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 39 E 7.81 3.21 0.00 1.67 1.77 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 2.28 2.30 0.00 40 V 7.45 3.91 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 0.81 0.00 0.00 0.85 0.00 0.00 41 D 8.07 4.41 0.00 2.81 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 42 G 8.31 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 43 L 7.89 4.57 0.00 1.68 1.72 0.97 1.09 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 44 D 8.08 4.68 0.00 2.72 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 45 L 7.67 4.65 0.00 1.58 1.62 0.95 0.88 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 46 V 7.20 4.52 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 0.84 0.00 0.00 0.97 0.00 0.00 47 G 8.49 3.97 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 0.00 48 D 8.00 5.11 0.00 2.93 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 49 T 8.38 4.36 4.36 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 1.40 0.00 0.00 50 H 9.52 5.52 0.00 3.31 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.19 5.26 0.00 3.27 3.64 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.69 5.46 0.00 1.82 1.64 1.19 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.20 3.77 -0.19 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 0.00 0.00 55 W 8.55 5.19 0.00 3.14 3.06 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 56 R 9.21 4.53 0.00 1.80 1.71 0.00 3.24 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 57 D 9.92 4.42 0.00 2.80 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 0.00 58 G 8.44 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 0.00 0.00 0.00 0.00 59 Q 8.28 4.65 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 60 L 7.86 3.37 0.00 0.69 1.06 0.61 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.44 4.45 0.00 1.39 1.55 0.86 0.38 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 62 A 7.25 5.13 1.05 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 63 Y 9.34 5.45 0.00 2.98 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 64 L 6.98 4.75 0.00 1.69 1.64 0.86 0.65 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 65 R 8.97 5.00 0.00 1.96 1.93 0.00 3.12 0.00 0.00 3.48 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 66 L 8.72 5.33 0.00 1.82 1.77 1.07 0.62 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 67 L 8.69 4.92 0.00 1.42 1.37 0.91 0.93 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 68 D 8.38 3.37 0.00 2.51 2.74 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 69 P 0.00 4.36 0.00 2.10 2.14 0.00 2.62 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 70 V 7.63 3.55 2.06 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 0.72 0.00 0.00 0.96 0.00 0.00 71 R 7.48 4.23 0.00 1.78 1.73 0.00 3.38 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 72 H 7.10 4.73 0.00 3.20 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.15 3.47 0.00 1.94 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 2.16 2.27 0.00 74 G 8.41 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 0.00 0.00 0.00 75 Q 7.87 4.86 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 76 V 8.51 3.81 1.71 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 0.79 0.00 0.00 0.95 0.00 0.00 77 V 8.11 4.77 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 1.14 0.00 0.00 0.87 0.00 0.00 78 I 8.67 4.85 1.84 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 1.21 0.82 0.86 0.00 0.00 79 G 9.09 3.88 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 80 R 8.33 4.01 0.00 2.23 2.43 0.00 3.30 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 81 V 8.08 4.23 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 0.86 0.00 0.00 0.95 0.00 0.00 82 V 9.51 4.66 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 0.98 0.00 0.00 0.55 0.00 0.00 83 S 8.27 5.05 0.00 3.67 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 84 S 9.29 4.00 0.00 3.74 3.65 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 85 S 9.08 4.01 0.00 3.86 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 86 A 7.85 4.07 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 87 A 7.88 4.16 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 88 R 6.82 4.18 0.00 1.97 1.85 0.00 3.10 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 89 G 8.97 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 90 Q 7.38 4.34 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 91 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.37 0.00 1.77 1.87 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.20 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 0.00 0.00 0.00 94 H 8.21 4.61 0.00 3.27 3.61 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.87 4.00 0.00 2.48 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 96 L 8.04 4.12 0.00 1.96 1.76 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 8.00 4.26 0.00 1.97 1.97 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 2.18 2.33 0.00 99 R 8.13 3.77 0.00 1.56 1.72 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.20 0.00 100 A 8.35 4.02 1.40 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 0.00 0.00 101 L 7.86 4.06 0.00 1.95 1.78 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.32 3.96 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 103 A 8.36 4.06 1.40 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 0.00 0.00 104 A 8.47 4.23 1.51 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 0.00 105 E 8.29 3.93 0.00 2.09 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 2.29 2.32 0.00 106 R 7.41 3.91 0.00 1.97 1.97 0.00 3.05 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 107 L 7.28 3.71 0.00 0.27 0.13 -0.06 0.36 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 0.00 108 W 8.15 5.23 0.00 3.44 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 0.00 109 L 7.67 4.02 0.00 1.73 1.64 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.87 4.55 0.00 2.91 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 0.00 111 T 7.69 4.53 4.44 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 1.23 0.00 0.00 112 P 0.00 4.63 0.00 2.12 2.17 0.00 3.65 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 2.20 1.96 0.00 113 V 8.61 5.10 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 1.18 0.00 0.00 1.01 0.00 0.00 114 Y 9.09 5.40 0.00 3.06 2.71 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 0.00 115 L 7.13 4.59 0.00 1.20 1.37 -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.28 4.43 0.00 4.00 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 0.00 117 A 8.51 4.62 0.76 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 0.00 0.00 118 Q 8.49 3.92 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 119 A 8.78 3.99 1.19 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 0.00 0.00 120 H 8.03 4.61 0.00 3.23 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.35 4.64 0.00 1.75 1.73 1.13 0.20 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 0.00 122 Q 8.34 4.10 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 123 A 8.00 4.13 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 0.00 124 Y 7.78 3.99 0.00 2.91 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 0.00 125 Y 7.97 4.21 0.00 3.32 2.89 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 0.00 126 G 8.28 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 0.00 127 R 7.20 3.38 0.00 1.30 1.41 0.00 3.32 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 128 Y 8.35 4.34 0.00 3.43 3.20 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 0.00 129 G 9.31 3.99 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 0.00 0.00 0.00 130 F 8.23 4.75 0.00 3.23 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 0.00 131 V 8.69 4.63 2.13 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 0.80 0.00 0.00 0.97 0.00 0.00 132 A 8.80 4.39 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 0.00 133 V 9.25 4.49 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 0.89 0.00 0.00 1.18 0.00 0.00 134 T 7.59 4.73 4.39 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 1.38 0.00 0.00 135 E 8.51 4.28 0.00 1.99 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 0.00 2.34 2.41 0.00 136 V 8.05 4.21 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 0.82 0.00 0.00 0.91 0.00 0.00 137 Y 8.42 5.02 0.00 3.06 2.98 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 0.00 138 L 8.63 4.82 0.00 1.71 1.63 0.92 0.85 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 0.00 139 E 8.78 4.30 0.00 1.81 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 2.17 2.31 0.00 140 D 9.45 4.19 0.00 2.62 2.56 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 0.00 141 D 7.97 4.38 0.00 2.84 2.71 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 0.00 142 I 7.65 4.54 1.87 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 1.20 1.44 1.02 0.00 0.00 143 P 0.00 4.86 0.00 2.09 2.13 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 144 H 9.34 5.19 0.00 2.13 2.76 0.00 5.84 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 0.00 145 I 8.34 4.36 1.76 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.64 0.87 0.00 0.00 146 G 10.07 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *148 R 8.26 4.89 0.00 2.15 2.39 0.00 2.94 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 149 R 8.99 4.65 0.00 0.67 0.98 0.00 3.20 0.00 0.00 2.64 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.00 150 A 8.49 4.13 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 * Residues marked with a * may have inaccurate shift predictions.