NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.1140 8.2649 123.5596 51.8024 19.0363 175.6970 7 K 4.4773 7.6564 120.2888 53.2622 34.7841 175.0610 8 L 4.3138 8.9807 121.7713 55.7035 43.1715 176.6994 9 N 4.2714 8.8133 116.5082 54.3036 37.2346 173.7256 10 H 5.1883 7.6098 114.5726 52.7611 32.3431 171.2335 11 P 4.6579 0.0000 0.0000 63.1369 31.0295 175.8125 12 A 4.1488 8.5974 126.5528 51.2081 19.2512 175.4633 13 P 4.0959 0.0000 0.0000 62.5402 31.8282 176.1510 14 E 4.1749 8.7546 125.0470 56.0643 30.3328 175.6573 15 F 5.1159 8.0992 121.1769 55.3637 41.4274 174.1503 16 D 5.0403 8.7685 121.2850 54.7684 42.8060 173.1295 17 D 4.5752 9.5331 133.4061 54.1142 47.3800 177.2520 *19 A 4.3552 9.1693 116.3807 51.5969 20.4820 177.6160 20 L 4.8029 8.5323 122.9000 54.1413 43.4390 174.9535 *22 P 4.4655 0.0000 0.0000 62.4631 32.3454 177.8016 23 N 4.1849 7.7574 114.0201 53.6385 37.3825 174.7368 24 G 4.4422 7.1987 114.8359 44.7642 0.0000 172.7739 25 T 4.0014 7.7712 116.7511 63.0758 69.2954 173.9149 26 F 5.3906 8.4650 121.1558 56.1053 40.4981 174.9399 27 K 4.6703 8.7362 125.0530 54.1331 35.0126 175.5526 28 K 4.4283 8.7606 128.2371 56.0395 32.7109 175.8187 29 V 4.5830 8.8197 128.7693 61.5037 33.8204 174.7154 30 S 5.2456 8.2666 119.5324 55.8304 65.5182 174.9867 31 L 3.5881 7.7074 123.5235 57.8607 41.6558 179.5386 32 S 4.1932 7.8798 114.1997 60.9043 62.7297 176.4738 33 S 4.0924 7.7091 118.7215 61.6633 62.7663 175.2792 34 Y 4.6066 7.8157 116.4283 57.0563 37.5935 174.3935 35 K 4.0433 7.8226 122.2533 60.0752 31.8742 174.7575 36 G 3.5964 6.9909 121.5491 45.0312 0.0000 171.9280 37 K 4.8658 8.1563 119.9030 54.3862 36.2877 175.3413 38 Y 4.4031 8.8414 119.1732 57.9451 39.3665 175.1463 39 V 4.7964 9.0202 122.1475 61.0857 35.4635 174.5664 40 V 4.7001 8.5439 126.8064 61.2513 33.7139 173.5876 41 L 4.9750 8.6932 131.3797 53.3879 43.6333 175.1831 42 F 5.5066 8.2779 119.8517 55.3114 41.1540 173.5872 43 F 5.2165 9.9807 119.6592 55.3845 42.1329 174.0864 44 Y 4.9024 7.7285 117.4958 55.1842 40.4401 172.9784 45 P 4.2288 0.0000 0.0000 66.0131 31.0998 177.2131 *47 D 3.6392 7.7806 116.1754 54.0542 42.6895 178.0403 48 F 3.1960 7.2511 116.9366 60.0024 39.2204 176.3271 49 T 2.9438 7.1026 105.0855 62.9640 70.0120 172.6779 50 F 5.0040 8.3823 122.3721 55.0031 37.8734 173.8534 51 V 3.5689 9.7834 120.7175 63.4091 28.9494 170.3359 52 C 4.7401 7.8389 123.4994 57.4004 32.2959 174.2000 53 P 4.4642 0.0000 0.0000 65.2125 30.9835 178.7655 54 T 3.5380 7.2998 105.8150 64.0477 69.2225 174.6841 55 E 3.9595 8.3065 122.1336 58.7712 29.6867 179.1071 56 I 4.0437 7.9597 118.8211 64.7281 37.1090 178.1123 57 I 3.6536 7.9541 120.2018 64.7416 36.9399 178.3478 58 Q 3.8621 8.3643 119.0578 59.2342 28.3174 180.0728 59 F 3.8994 7.6272 116.4488 60.6221 39.0628 177.0446 60 S 4.3363 7.6579 111.2830 61.8846 62.3355 175.8630 61 D 4.4965 8.4719 121.5254 57.4734 40.7340 178.0985 62 D 4.4654 8.3235 116.6853 55.2545 40.6093 178.0553 63 A 4.2304 7.9475 123.6724 55.2995 18.3788 179.7119 64 K 3.8464 8.0762 117.3003 59.8748 32.1597 178.5063 65 R 3.8561 8.0244 117.0650 59.5951 30.0949 178.0793 66 F 4.2190 8.6411 117.4641 60.6443 38.9132 177.3177 67 A 4.4399 8.5582 122.1560 54.6893 17.8300 179.1601 68 E 3.9621 8.2424 116.8236 58.3434 29.6405 177.1673 69 I 4.3398 8.3209 119.6981 60.8988 38.6349 175.0807 70 N 4.8612 8.1986 113.6755 54.1315 38.0199 172.2851 71 T 5.3492 7.5964 105.6031 59.4224 71.6296 172.3291 72 E 4.8964 9.2935 126.1672 54.6764 32.2904 174.8530 73 V 4.8756 8.1966 117.2659 59.8813 35.5865 174.7962 74 I 4.6940 8.5609 121.9049 60.1202 41.7857 174.6462 75 S 3.7308 7.9793 123.9414 56.7672 65.3453 172.5294 76 C 4.6356 7.4656 114.5535 59.5508 35.1998 172.6306 77 S 4.3990 7.4991 117.8201 57.3773 65.8041 173.9831 78 C 4.9727 8.3013 115.7031 60.3276 28.0956 173.5411 79 D 4.9115 7.2877 118.7491 52.3178 42.6510 177.4388 80 S 4.2417 8.2507 116.9846 58.0656 65.1032 174.9189 81 E 3.7787 8.7917 122.6998 60.4199 28.9696 179.3228 82 Y 4.2835 8.3327 116.8190 60.8886 37.8303 178.0267 83 S 4.4803 7.7349 112.0256 61.5420 62.7635 175.6902 84 H 4.7478 8.6252 120.6329 59.1850 28.3780 176.5791 85 L 3.8204 8.5073 120.1029 58.7030 41.4215 178.7119 86 Q 3.6352 8.5543 119.2733 59.0890 29.3078 179.5595 87 W 4.9165 8.6013 129.2817 60.0901 30.8184 177.8426 88 T 3.9117 9.2717 114.2015 64.2623 66.5355 176.5015 89 S 4.2713 8.0652 115.4890 60.1732 63.9691 175.0969 90 V 3.7442 7.0864 122.6836 62.2889 32.1443 174.7520 91 D 4.6342 8.6881 127.0021 54.0625 41.2575 177.0968 92 R 4.0287 8.7303 124.1614 58.7621 30.1869 177.1926 93 K 3.9941 8.1057 117.5813 58.5855 33.1319 177.0511 94 K 4.3470 8.4908 121.7664 55.6448 31.3296 176.9568 95 G 3.9309 8.0695 103.6641 46.3052 0.0000 174.0560 96 G 4.0373 7.3399 109.2885 44.4367 0.0000 173.5411 97 L 3.8276 7.3459 118.9090 54.1653 43.8849 177.1556 98 G 3.9029 7.1914 108.6849 43.5727 0.0000 170.8566 99 P 3.8759 0.0000 0.0000 61.3573 32.2882 176.2054 *101 A 4.3056 8.2567 119.7231 51.7515 20.0205 176.2995 102 I 4.6602 7.4446 116.5963 58.7441 40.2959 175.8737 103 P 4.7162 0.0000 0.0000 62.2609 31.6692 175.0462 *105 L 4.2666 8.2858 120.4234 55.7488 43.5851 176.4904 106 A 4.7338 8.3686 122.8816 50.7034 21.2383 175.3219 107 D 4.6853 8.4238 122.3938 52.2254 38.8650 177.5616 108 K 3.9685 8.4079 126.4521 59.7938 32.7202 178.5171 109 T 3.9082 7.8242 113.0961 62.7244 67.7500 175.9232 110 K 4.1819 8.2802 118.6135 56.7279 30.9626 177.3592 111 A 4.0237 7.5686 120.8328 55.3405 18.1276 180.0990 112 I 3.7653 7.8773 117.3157 64.5447 37.3281 177.9913 113 A 3.8621 8.1706 121.4114 55.4921 18.0480 179.9241 114 R 3.7959 7.9906 115.8897 59.4414 29.9617 179.0173 115 A 3.9124 7.7359 119.1885 54.9169 18.3675 178.2825 116 Y 3.8879 7.8592 112.1245 56.3353 38.8703 175.7267 117 G 3.9387 8.0689 108.3260 47.2255 0.0000 174.4849 118 V 4.2085 7.7978 116.8526 61.9934 33.5183 174.7068 119 L 4.4748 7.7362 121.2786 55.3106 42.6513 176.0996 120 D 4.8480 8.7382 126.2570 52.2051 40.0476 176.0431 121 E 3.9744 8.7726 125.1211 59.4517 29.9751 178.9089 122 D 4.5143 8.2907 117.3579 57.1464 41.0853 177.5166 123 S 4.2685 7.9391 112.1947 58.8525 63.7494 175.2947 124 G 3.9573 8.8531 107.8988 44.6648 0.0000 172.5715 125 V 4.5510 7.5522 112.0087 59.1305 35.8053 174.5098 126 A 5.0137 8.3009 122.9739 51.2764 20.5262 176.6511 127 Y 4.2025 8.5227 117.8731 56.8824 39.8436 177.6447 128 R 4.7032 8.0158 119.9064 56.0652 27.9860 175.9953 129 G 4.5154 8.4131 109.6830 44.7166 0.0000 170.0823 130 V 5.2170 8.5461 121.6056 61.3194 35.3010 173.8480 131 F 5.7405 9.8586 125.6919 54.6634 43.6262 173.8695 132 I 5.1033 8.5996 121.6210 59.8877 39.9987 174.3774 133 I 5.0161 8.9185 128.9659 59.6925 39.6759 175.5683 134 D 4.3433 8.8994 126.3604 51.4236 40.7433 175.5866 135 P 4.6075 0.0000 0.0000 64.6281 31.2811 177.7700 136 N 4.5618 8.1528 112.9793 53.0841 39.0321 175.4861 137 G 3.8655 8.7711 107.6306 45.7910 0.0000 172.9979 138 K 4.8371 8.3376 118.9187 53.8659 34.1794 175.5231 139 L 4.5343 8.3134 125.0843 55.2151 42.9774 177.0933 140 R 4.9975 8.9502 123.0080 55.4096 33.0681 174.7683 141 Q 4.5898 7.8678 118.1455 55.3759 32.4959 172.6192 142 I 4.6958 8.5170 126.7214 59.5706 40.6047 175.1489 143 I 4.4714 7.6281 126.1737 60.1095 41.8921 174.0373 144 I 4.9387 8.2479 126.9596 59.8009 39.7097 174.5148 145 N 4.9014 9.4606 125.6820 51.2445 40.8344 176.9268 146 D 4.9581 8.7908 122.5410 54.2798 40.5283 176.4813 *148 P 4.3672 0.0000 0.0000 61.6245 32.9245 175.7000 149 I 4.2687 7.4692 120.5655 59.1572 37.2107 175.9347 150 G 3.8680 8.5637 114.5168 45.7375 0.0000 171.7379 151 R 4.4955 8.7223 119.2346 54.4820 32.3633 176.3573 152 N 4.6793 8.1966 117.9152 51.6298 39.0792 174.8318 153 V 3.2724 8.1171 125.9168 65.9999 31.3354 177.1375 154 E 3.7916 8.1366 117.5483 59.3668 29.2318 178.7465 155 E 3.8655 8.0332 119.0428 59.3663 29.7106 178.7937 156 V 3.6792 7.9131 117.6580 66.2784 31.4585 177.8223 157 I 3.7258 7.7358 119.1641 64.3875 36.8803 177.9657 158 R 3.8203 8.1698 119.9688 59.7886 29.7928 178.1173 159 L 3.9583 8.2941 118.6697 57.8112 41.5627 179.8115 160 V 3.4981 7.8905 117.9155 66.0048 31.4902 177.6577 161 E 3.8649 8.6598 118.3322 59.5206 29.1606 178.9870 162 A 4.0241 8.6466 121.4063 55.4456 18.1282 179.6734 163 L 4.0581 8.0395 116.0715 58.2610 42.1057 179.4185 164 Q 4.2129 8.3217 118.2687 58.8267 28.5912 178.5311 165 F 3.9195 8.6413 122.1281 61.6597 39.2210 177.5672 166 V 3.9411 7.6868 115.6745 65.4039 31.2864 177.4396 167 E 4.1288 8.0191 118.7252 59.4973 29.6568 178.1330 168 E 3.9842 7.9647 116.6023 59.0220 29.9038 177.4927 169 H 4.6153 7.5895 114.3489 55.0233 30.7143 175.9465 170 G 4.1337 8.6831 108.2136 46.2281 0.0000 173.4497 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 6 A 8.26 4.11 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 7 K 7.66 4.48 0.00 1.97 1.81 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.53 7.81 8 L 8.98 4.31 0.00 1.77 1.59 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.81 4.27 0.00 2.76 2.83 0.00 0.00 6.74 7.86 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 10 H 7.61 5.19 0.00 3.24 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.66 0.00 2.05 2.12 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 12 A 8.60 4.15 1.39 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 0.00 0.00 0.00 13 P 0.00 4.10 0.00 1.62 1.78 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.68 0.00 14 E 8.75 4.17 0.00 1.91 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 0.00 2.24 2.30 0.00 15 F 8.10 5.12 0.00 3.11 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 16 D 8.77 5.04 0.00 2.67 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 17 D 9.53 4.58 0.00 2.80 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 0.00 0.00 0.00 *19 A 9.17 4.36 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 20 L 8.53 4.80 0.00 1.87 1.76 1.10 1.11 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 *22 P 0.00 4.47 0.00 2.13 2.16 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 23 N 7.76 4.18 0.00 2.81 2.84 0.00 0.00 5.84 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 24 G 7.20 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 0.00 0.00 0.00 0.00 25 T 7.77 4.00 4.26 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 1.21 0.00 0.00 26 F 8.47 5.39 0.00 2.86 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 27 K 8.74 4.67 0.00 1.81 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 28 K 8.76 4.43 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.60 1.36 7.81 29 V 8.82 4.58 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 1.25 0.00 0.00 1.03 0.00 0.00 30 S 8.27 5.25 0.00 4.04 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 31 L 7.71 3.59 0.00 0.27 1.13 0.93 0.73 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 32 S 7.88 4.19 0.00 4.00 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 33 S 7.71 4.09 0.00 3.74 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 34 Y 7.82 4.61 0.00 3.18 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 35 K 7.82 4.04 0.00 1.85 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 36 G 6.99 3.60 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 0.00 0.00 0.00 37 K 8.16 4.87 0.00 1.85 2.07 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 Y 8.84 4.40 0.00 3.06 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 39 V 9.02 4.80 2.04 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 0.68 0.00 0.00 0.86 0.00 0.00 40 V 8.54 4.70 1.78 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 0.91 0.00 0.00 0.78 0.00 0.00 41 L 8.69 4.98 0.00 1.62 1.45 -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.28 5.51 0.00 3.00 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 43 F 9.98 5.22 0.00 3.13 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 44 Y 7.73 4.90 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 45 P 0.00 4.23 0.00 2.06 2.10 0.00 3.87 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 2.04 2.29 0.00 *47 D 7.78 3.64 0.00 2.16 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 48 F 7.25 3.20 0.00 2.94 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 7.10 2.94 4.26 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 1.13 0.00 0.00 50 F 8.38 5.00 0.00 3.00 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 51 V 9.78 3.57 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 0.78 0.00 0.00 1.00 0.00 0.00 52 C 7.84 4.74 0.00 3.01 2.93 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 53 P 0.00 4.46 0.00 2.22 1.97 0.00 3.72 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 54 T 7.30 3.54 4.26 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 1.23 0.00 0.00 55 E 8.31 3.96 0.00 2.16 2.15 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 2.70 2.65 0.00 56 I 7.96 4.04 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.79 0.00 0.00 57 I 7.95 3.65 2.04 0.00 0.00 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 1.38 0.75 0.90 0.00 0.00 58 Q 8.36 3.86 0.00 2.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 59 F 7.63 3.90 0.00 3.05 2.88 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 60 S 7.66 4.34 0.00 3.86 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 61 D 8.47 4.50 0.00 2.83 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 62 D 8.32 4.47 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.23 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 64 K 8.08 3.85 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 65 R 8.02 3.86 0.00 1.74 1.97 0.00 3.17 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 66 F 8.64 4.22 0.00 3.39 3.27 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 0.00 0.00 0.00 0.00 67 A 8.56 4.44 1.47 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 68 E 8.24 3.96 0.00 2.24 2.05 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 2.33 2.33 0.00 69 I 8.32 4.34 1.85 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 1.14 1.19 1.01 0.00 0.00 70 N 8.20 4.86 0.00 2.99 2.95 0.00 0.00 6.78 8.24 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 71 T 7.60 5.35 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 72 E 9.29 4.90 0.00 2.35 2.05 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 2.90 2.53 0.00 73 V 8.20 4.88 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 0.37 0.00 0.00 1.00 0.00 0.00 74 I 8.56 4.69 1.88 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 0.99 1.34 0.65 0.00 0.00 75 S 7.98 3.73 0.00 3.11 3.66 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 76 C 7.47 4.64 0.00 2.22 1.48 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 77 S 7.50 4.40 0.00 3.20 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 78 C 8.30 4.97 0.00 2.90 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 79 D 7.29 4.91 0.00 2.67 2.53 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 0.00 0.00 0.00 0.00 80 S 8.25 4.24 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 3.78 0.00 1.16 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 2.59 0.00 82 Y 8.33 4.28 0.00 3.09 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 83 S 7.73 4.48 0.00 4.07 4.11 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 84 H 8.63 4.75 0.00 3.63 3.49 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.51 3.82 0.00 1.95 1.92 0.82 0.58 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 86 Q 8.55 3.64 0.00 2.43 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.80 0.00 87 W 8.60 4.92 0.00 3.37 3.33 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 88 T 9.27 3.91 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 1.25 0.00 0.00 89 S 8.07 4.27 0.00 4.10 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 90 V 7.09 3.74 2.24 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 1.06 0.00 0.00 1.15 0.00 0.00 91 D 8.69 4.63 0.00 2.83 2.58 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 92 R 8.73 4.03 0.00 1.68 1.96 0.00 3.02 0.00 0.00 3.75 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 93 K 8.11 3.99 0.00 1.72 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.49 7.81 94 K 8.49 4.35 0.00 1.75 1.73 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.53 7.81 95 G 8.07 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 0.00 0.00 0.00 96 G 7.34 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 0.00 0.00 0.00 97 L 7.35 3.83 0.00 0.27 1.15 0.05 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.19 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 99 P 0.00 3.88 0.00 2.03 2.04 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 *101 A 8.26 4.31 1.39 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 0.00 0.00 0.00 102 I 7.44 4.66 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.11 1.05 0.00 0.00 103 P 0.00 4.72 0.00 2.27 2.00 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 *105 L 8.29 4.27 0.00 1.49 1.37 0.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.37 4.73 1.13 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 0.00 0.00 107 D 8.42 4.69 0.00 2.69 2.78 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 0.00 108 K 8.41 3.97 0.00 1.72 1.87 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 109 T 7.82 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 1.29 0.00 0.00 110 K 8.28 4.18 0.00 2.04 1.94 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 111 A 7.57 4.02 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 0.00 112 I 7.88 3.77 2.13 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.59 1.02 0.00 0.00 113 A 8.17 3.86 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 0.00 114 R 7.99 3.80 0.00 2.05 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 115 A 7.74 3.91 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 0.00 116 Y 7.86 3.89 0.00 2.56 2.26 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 0.00 117 G 8.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 4.21 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 0.81 0.00 0.00 0.86 0.00 0.00 119 L 7.74 4.47 0.00 1.62 1.55 0.95 1.20 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 0.00 120 D 8.74 4.85 0.00 3.07 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 0.00 121 E 8.77 3.97 0.00 2.00 2.04 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 2.34 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.09 0.00 0.00 131 F 9.86 5.74 0.00 3.09 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 0.00 132 I 8.60 5.10 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 1.13 0.00 0.00 133 I 8.92 5.02 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.95 0.00 0.00 134 D 8.90 4.34 0.00 2.37 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 0.00 135 P 0.00 4.61 0.00 2.02 2.18 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 136 N 8.15 4.56 0.00 2.79 2.82 0.00 0.00 7.01 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 0.00 137 G 8.77 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 0.00 0.00 0.00 138 K 8.34 4.84 0.00 2.01 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 L 8.31 4.53 0.00 1.91 1.76 1.37 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.95 5.00 0.00 1.79 1.95 0.00 3.61 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 141 Q 7.87 4.59 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 142 I 8.52 4.70 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.90 0.00 0.00 143 I 7.63 4.47 1.87 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 1.20 0.46 0.92 0.00 0.00 144 I 8.25 4.94 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.86 0.00 0.00 145 N 9.46 4.90 0.00 2.89 2.93 0.00 0.00 6.30 8.73 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 0.00 146 D 8.79 4.96 0.00 2.77 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 0.00 0.00 0.00 *148 P 0.00 4.37 0.00 2.14 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 149 I 7.47 4.27 1.93 0.00 0.00 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 1.27 0.46 0.95 0.00 0.00 150 G 8.56 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 0.00 0.00 0.00 151 R 8.72 4.50 0.00 2.03 1.98 0.00 3.35 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 152 N 8.20 4.68 0.00 2.75 2.68 0.00 0.00 6.48 7.71 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 0.00 153 V 8.12 3.27 1.76 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 0.57 0.00 0.00 0.15 0.00 0.00 154 E 8.14 3.79 0.00 2.11 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 2.24 0.00 155 E 8.03 3.87 0.00 2.09 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 0.00 2.31 2.38 0.00 156 V 7.91 3.68 2.47 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 1.21 0.00 0.00 1.05 0.00 0.00 157 I 7.74 3.73 1.87 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.47 0.65 0.00 0.00 158 R 8.17 3.82 0.00 1.92 2.17 0.00 3.24 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 159 L 8.29 3.96 0.00 1.97 1.76 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.89 3.50 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 0.90 0.00 0.00 1.24 0.00 0.00 161 E 8.66 3.86 0.00 2.16 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 2.29 2.47 0.00 162 A 8.65 4.02 1.41 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 0.00 163 L 8.04 4.06 0.00 1.87 1.93 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.32 4.21 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 165 F 8.64 3.92 0.00 3.19 3.25 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 0.00 166 V 7.69 3.94 2.32 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 0.95 0.00 0.00 1.11 0.00 0.00 167 E 8.02 4.13 0.00 2.13 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 2.42 2.44 0.00 168 E 7.96 3.98 0.00 1.59 1.59 0.00 0.00 0.00 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 2.25 0.00 169 H 7.59 4.62 0.00 3.19 3.23 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 0.00 170 G 8.68 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.