NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6546 8.0232 122.1906 51.3921 21.3338 175.6720 3 Y 4.7086 6.8059 113.6786 55.6325 41.2563 173.2379 4 W 5.6045 9.3031 121.6828 55.9134 34.7308 172.4293 5 L 5.6565 8.3126 121.0050 53.3825 45.6957 174.6218 *7 K 4.6587 8.4097 119.2168 56.8218 33.4866 175.7508 8 S 4.5500 8.8500 115.6555 57.1410 66.5931 173.1412 9 E 4.7099 8.6938 128.1574 54.9898 29.3014 175.0742 10 P 4.1917 0.0000 0.0000 66.2424 31.2408 178.3237 11 D 4.5221 8.0525 115.2322 56.6104 40.7477 177.7821 12 E 4.4104 7.2751 119.6429 57.0393 30.0795 176.2934 13 L 4.1721 7.9699 120.8836 53.4577 44.4861 174.6648 14 S 4.9234 8.3220 121.6734 56.7199 66.7850 174.6144 15 I 2.6824 7.9467 120.9371 63.5803 37.5494 177.7094 16 E 3.8111 7.9495 118.9864 59.2833 29.3756 178.7768 17 A 3.9767 7.9909 120.8022 55.1699 18.3888 179.4302 18 L 3.9384 7.9684 118.5511 58.1417 41.9171 178.9873 19 A 3.8409 7.4679 119.6943 55.2708 18.3331 179.5769 20 R 4.0113 7.6729 115.4580 59.3434 30.2274 179.0213 21 L 4.1768 8.1306 118.5024 56.5067 41.5085 177.0597 22 G 4.1250 9.1957 114.4269 43.4882 0.0000 171.6703 23 E 5.1599 7.8015 119.4688 53.5386 33.0996 174.9326 24 A 4.9101 9.1446 126.8586 50.2261 23.3714 174.7081 25 R 5.0403 8.6325 119.7058 55.0362 31.1601 176.4127 26 W 4.4833 9.6668 135.0000 55.9352 30.6943 174.3839 27 D 4.6436 8.2129 125.4865 51.5721 41.8566 176.6590 28 G 2.5903 8.8061 106.3887 44.6040 0.0000 173.8655 29 V 3.5058 7.0864 119.7469 62.9187 31.5448 175.5033 30 R 2.5751 7.9991 125.9192 54.6975 31.2563 174.8615 31 N 4.8222 7.7384 116.8616 51.8718 40.7074 173.9117 32 Y 4.3195 8.8124 126.1682 61.6608 38.0746 178.7258 33 Q 3.7871 8.3365 119.3887 59.0595 29.3244 177.8119 34 A 4.1971 8.6307 122.0392 55.0278 18.3734 179.5809 35 R 3.8422 8.5447 117.6643 59.8526 30.0362 178.4881 36 N 4.3136 8.1214 114.9650 56.4517 38.7272 177.1168 37 F 4.7367 7.9848 119.1959 60.3740 38.7620 177.7453 38 L 3.6426 7.5255 117.9874 57.6710 41.5180 179.2901 39 R 4.0489 7.8662 115.5604 57.1641 31.3053 177.6230 40 A 4.4417 7.2798 123.4422 50.0945 16.4112 176.3555 *42 S 4.1882 6.9138 120.2194 57.2971 64.8437 174.4819 43 V 3.9990 8.1009 122.3568 64.5409 31.6646 176.2211 44 G 4.0646 9.0612 116.0814 45.2798 0.0000 173.7365 45 D 4.5998 8.0740 119.7761 54.5190 42.1699 175.4016 46 E 5.1721 8.5723 120.8293 54.7844 33.2522 175.0335 47 F 5.7086 8.8804 116.2189 55.4828 42.2852 173.5598 48 F 5.0155 9.3032 120.2233 57.4485 40.3124 174.5642 49 F 4.6292 9.6502 127.2397 57.7611 40.2793 173.5566 50 Y 5.0369 8.6088 128.7378 56.3523 40.6910 174.0754 51 H 5.2237 8.8608 125.8918 55.6241 29.8020 174.8966 52 S 4.8926 8.8026 118.0768 55.6799 66.7339 173.7362 53 S 3.8163 8.7062 113.0955 59.3369 60.0865 171.2787 54 C 4.8800 7.6017 111.7160 55.7507 32.9767 172.2317 55 P 4.3556 0.0000 0.0000 64.9851 31.2591 176.5199 56 Q 4.5694 7.5574 119.0108 53.0824 28.7962 172.3686 57 P 4.9880 0.0000 0.0000 60.8897 32.6472 177.4379 58 G 4.1644 6.9803 108.6913 44.3872 0.0000 171.1932 59 I 4.3059 7.8917 121.0082 61.1297 37.1952 177.0662 60 A 4.3032 9.0079 129.0099 51.6559 20.0239 176.6876 61 G 2.8762 6.2648 101.4568 45.2745 0.0000 171.1038 62 I 5.0215 7.5443 119.0701 59.5431 41.0624 174.9104 63 A 5.0650 8.1989 126.2389 50.3432 23.4000 174.5694 64 R 5.1980 9.0471 114.5156 54.6388 33.7005 174.5838 65 I 4.8042 8.8871 121.8875 61.0515 37.9913 176.5092 66 T 4.5061 8.9270 117.5380 61.7617 70.0507 174.9252 67 R 4.5409 7.6420 122.8033 55.2501 33.3299 174.1392 68 A 4.5614 8.8115 128.1779 51.2742 19.6191 176.3556 69 A 4.8404 8.7242 120.2609 52.6266 18.7520 176.7467 70 Y 4.8985 8.1968 117.8084 54.6301 41.9730 172.2187 71 P 4.5471 0.0000 0.0000 63.3146 32.3591 175.4468 72 D 4.2614 8.9318 125.2284 53.5899 41.4650 175.1520 73 P 4.4024 0.0000 0.0000 65.9337 30.9267 178.2661 74 T 3.9748 8.2645 109.4129 64.4758 68.5063 176.1661 75 A 4.3805 8.0066 124.6566 53.6748 18.2144 178.4925 76 L 4.6954 7.7723 115.1973 53.9358 42.6886 175.9819 77 D 4.7184 7.3592 118.8937 51.9411 40.9031 175.0576 78 P 4.3179 0.0000 0.0000 65.2548 31.5323 177.7771 79 E 4.0544 8.3381 118.4356 57.8083 29.8768 176.6515 80 S 4.6636 7.7800 113.6341 56.9182 64.6870 174.9854 81 H 4.1994 8.2445 118.6972 58.3901 28.3890 175.7411 82 Y 4.7126 7.3653 116.7981 57.8749 37.9057 174.7274 83 H 4.3897 7.7514 120.0964 56.2850 30.6826 174.3408 84 D 4.6688 8.4806 123.9741 52.0489 42.9620 176.2428 85 A 4.0728 8.7414 130.4488 55.1817 18.5469 178.2002 86 K 4.1768 8.3101 112.8938 57.4986 32.5465 177.2294 87 A 4.5625 7.6342 122.5008 51.7092 19.3266 176.4329 88 T 4.7952 7.9738 109.9666 59.9680 72.3347 174.4330 89 T 3.9739 8.5772 117.9325 66.7423 68.3755 175.3929 90 D 4.6048 7.9625 117.6734 55.3370 42.1530 176.5851 91 K 4.4601 7.7313 117.3847 55.1320 33.1521 173.3601 92 N 4.6948 7.8820 117.1014 50.8906 39.5359 172.7867 93 P 4.0885 0.0000 0.0000 63.8788 31.9965 176.2249 94 W 5.1058 7.9438 119.7718 55.4761 31.4045 175.3761 95 S 5.2247 8.7759 116.9601 56.8754 66.5390 172.7386 96 A 4.8366 8.5446 122.6767 50.5635 23.1583 175.1788 97 V 5.0222 8.2299 109.5317 60.1997 36.8987 174.3661 98 D 5.6058 8.7739 121.3625 53.0253 43.6834 176.0588 99 V 5.3834 9.1940 114.1307 59.8543 36.5346 174.2842 100 A 5.3077 8.9478 122.1466 49.4403 22.8739 175.2425 101 H 4.4635 8.9565 119.7484 56.6752 30.3121 174.2688 102 V 4.2560 7.8829 122.6065 64.0637 33.7105 175.2375 103 Q 4.5668 8.0580 119.8215 55.1399 33.0008 172.3527 104 T 4.6528 8.3999 120.5242 60.0047 68.9126 173.8831 105 F 4.7042 8.3361 128.2015 57.1898 39.2032 174.1357 106 P 4.4587 0.0000 0.0000 64.9378 31.4683 177.3519 107 R 4.6685 7.5724 112.0956 53.6456 32.2828 174.8311 108 V 3.8150 8.4055 120.9650 63.5764 32.5061 176.0522 109 L 4.3918 9.0789 128.4905 53.2374 41.5162 175.6434 110 E 4.3445 8.6268 123.1341 56.5755 30.4132 177.8982 111 L 4.1556 8.9150 124.8443 58.4540 41.8976 179.8780 112 G 3.6564 8.0398 104.1187 47.8248 0.0000 175.1355 113 R 4.0397 7.9122 120.6835 59.0917 30.1897 178.3897 114 L 3.9711 8.0194 118.7713 57.8583 41.4474 179.7352 115 K 4.0721 8.2909 117.2788 58.9135 32.0204 178.4830 116 Q 4.4882 7.5610 115.8009 55.5163 29.0094 175.7498 117 Q 4.2954 7.8883 121.2119 54.2018 28.6364 176.4874 118 A 3.9695 8.5534 127.5552 54.6655 18.6399 178.9658 119 G 3.8134 8.0434 102.9490 47.0811 0.0000 174.0443 120 L 4.6848 8.0470 119.9410 54.1851 42.3371 178.4463 121 V 3.5884 7.4771 120.8726 64.7899 31.0175 177.0239 122 E 4.2139 8.0098 116.7181 56.3907 30.0433 175.7464 123 L 4.2751 8.1003 123.6593 53.4666 42.6684 175.2155 124 P 4.2254 0.0000 0.0000 65.7778 31.6705 177.8970 125 L 3.7553 8.0908 118.4925 58.1986 41.7062 177.9717 126 V 4.1709 7.5760 108.3192 61.1461 31.7683 175.3882 127 Q 4.4845 8.0757 121.1348 53.6479 29.9301 175.1770 128 K 3.8487 8.6854 123.2927 58.3672 32.3330 176.7940 129 G 3.9408 8.9579 113.0610 45.5514 0.0000 173.5063 130 S 4.2501 7.8521 114.8172 58.5903 62.7732 173.8614 131 R 4.6589 8.3951 123.8255 55.6581 31.3109 175.1898 132 L 4.2729 7.7087 118.5543 54.7355 41.8978 177.1633 133 S 4.6799 8.6858 116.9706 58.1874 64.0879 174.0000 134 V 4.7615 7.5088 119.1452 59.6016 34.4960 171.9289 *136 P 3.9514 0.0000 0.0000 62.5992 32.5653 175.6940 137 V 4.6547 7.8860 119.7030 61.2631 34.1022 175.3462 138 T 4.1260 9.1452 118.4729 60.9258 69.8505 173.8517 139 P 4.2258 0.0000 0.0000 66.0766 31.3237 178.8609 140 E 4.0167 8.1645 116.7830 59.5453 29.5502 179.2858 141 Q 4.0802 8.1997 118.2190 58.4799 28.7589 178.3974 142 W 4.2182 8.6065 129.8142 60.3680 30.7581 177.9374 143 A 4.0864 8.3934 120.8954 55.3546 17.6247 180.1029 144 V 3.6084 7.4695 109.5137 64.4083 31.7224 178.6556 145 I 3.6684 7.5710 119.6085 64.1218 36.7610 178.8310 146 V 3.4339 7.7894 119.7264 64.3439 31.2547 178.0906 147 A 4.0063 7.8469 120.8938 54.1331 18.0648 178.9176 148 L 4.0262 7.2103 117.9401 57.4239 42.2132 178.5046 149 R 3.6639 7.0975 118.2593 58.8929 29.9308 176.0448 150 L 4.0881 7.1930 121.1693 54.8613 41.6483 176.5046 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 8.02 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 6.81 4.71 0.00 3.02 2.68 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 4 W 9.30 5.60 0.00 3.27 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 5 L 8.31 5.66 0.00 1.93 1.59 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *7 K 8.41 4.66 0.00 1.85 2.03 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.61 7.81 8 S 8.85 4.55 0.00 3.60 3.52 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 9 E 8.69 4.71 0.00 2.11 1.81 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 2.37 2.47 0.00 10 P 0.00 4.19 0.00 2.12 1.91 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 11 D 8.05 4.52 0.00 2.63 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 12 E 7.28 4.41 0.00 2.12 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 2.28 2.29 0.00 13 L 7.97 4.17 0.00 1.51 1.47 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.32 4.92 0.00 4.17 4.08 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 15 I 7.95 2.68 1.24 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.80 0.00 0.00 16 E 7.95 3.81 0.00 2.05 1.93 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 2.37 2.39 0.00 17 A 7.99 3.98 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 18 L 7.97 3.94 0.00 1.88 1.76 1.11 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.47 3.84 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 20 R 7.67 4.01 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 21 L 8.13 4.18 0.00 1.63 1.77 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.20 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 23 E 7.80 5.16 0.00 1.99 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 2.25 2.51 0.00 24 A 9.14 4.91 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 25 R 8.63 5.04 0.00 1.97 1.92 0.00 3.12 0.00 0.00 4.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 26 W 9.67 4.48 0.00 3.48 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 27 D 8.21 4.64 0.00 2.76 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 28 G 8.81 2.59 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 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.09 3.51 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 0.79 0.00 0.00 0.97 0.00 0.00 30 R 8.00 2.58 0.00 1.29 0.95 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.00 31 N 7.74 4.82 0.00 2.70 2.66 0.00 0.00 7.07 7.56 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 32 Y 8.81 4.32 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.34 3.79 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 34 A 8.63 4.20 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.54 3.84 0.00 2.15 2.31 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 36 N 8.12 4.31 0.00 2.57 2.73 0.00 0.00 7.15 8.17 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 37 F 7.98 4.74 0.00 3.26 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 38 L 7.53 3.64 0.00 1.80 1.59 0.90 0.61 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 39 R 7.87 4.05 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 40 A 7.28 4.44 1.58 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 *42 S 6.91 4.19 0.00 3.95 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 43 V 8.10 4.00 2.09 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 0.85 0.00 0.00 0.94 0.00 0.00 44 G 9.06 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 45 D 8.07 4.60 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.57 5.17 0.00 1.72 1.94 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 2.24 2.33 0.00 47 F 8.88 5.71 0.00 3.13 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 48 F 9.30 5.02 0.00 3.12 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 49 F 9.65 4.63 0.00 3.10 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 50 Y 8.61 5.04 0.00 3.24 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 51 H 8.86 5.22 0.00 3.09 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.80 4.89 0.00 4.09 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 3.82 0.00 4.02 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 54 C 7.60 4.88 0.00 3.00 2.85 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 55 P 0.00 4.36 0.00 2.20 2.23 0.00 3.70 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 1.98 1.95 0.00 56 Q 7.56 4.57 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 57 P 0.00 4.99 0.00 2.32 2.18 0.00 4.11 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 58 G 6.98 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 I 7.89 4.31 1.87 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.92 0.00 0.00 60 A 9.01 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 6.26 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 0.00 0.00 0.00 62 I 7.54 5.02 1.89 0.00 0.00 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 1.32 0.88 1.10 0.00 0.00 63 A 8.20 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.05 5.20 0.00 1.94 2.00 0.00 2.79 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 65 I 8.89 4.80 2.04 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.96 0.00 0.00 66 T 8.93 4.51 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 1.27 0.00 0.00 67 R 7.64 4.54 0.00 1.87 1.85 0.00 2.87 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 68 A 8.81 4.56 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 69 A 8.72 4.84 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 70 Y 8.20 4.90 0.00 3.00 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 71 P 0.00 4.55 0.00 2.03 2.11 0.00 3.88 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 2.10 2.15 0.00 72 D 8.93 4.26 0.00 2.57 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 73 P 0.00 4.40 0.00 2.37 2.40 0.00 3.70 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 74 T 8.26 3.97 4.40 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 1.35 0.00 0.00 75 A 8.01 4.38 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 76 L 7.77 4.70 0.00 1.80 1.76 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.36 4.72 0.00 2.86 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 78 P 0.00 4.32 0.00 2.07 2.06 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 79 E 8.34 4.05 0.00 1.96 2.09 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 2.30 2.23 0.00 80 S 7.78 4.66 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.24 4.20 0.00 2.40 3.04 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.37 4.71 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 83 H 7.75 4.39 0.00 3.28 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.48 4.67 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.74 4.07 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 86 K 8.31 4.18 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.43 7.81 87 A 7.63 4.56 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 88 T 7.97 4.80 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 1.22 0.00 0.00 89 T 8.58 3.97 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 1.23 0.00 0.00 90 D 7.96 4.60 0.00 2.63 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 91 K 7.73 4.46 0.00 1.78 1.62 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 92 N 7.88 4.69 0.00 2.83 2.72 0.00 0.00 7.33 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.09 0.00 1.13 1.78 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.62 0.00 94 W 7.94 5.11 0.00 3.31 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 95 S 8.78 5.22 0.00 3.68 3.64 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 0.00 0.00 0.00 96 A 8.54 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.23 5.02 2.17 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 0.63 0.00 0.00 0.77 0.00 0.00 98 D 8.77 5.61 0.00 2.66 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 99 V 9.19 5.38 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 0.85 0.00 0.00 1.46 0.00 0.00 100 A 8.95 5.31 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 0.00 101 H 8.96 4.46 0.00 3.13 3.22 0.00 5.87 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 0.00 102 V 7.88 4.26 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 0.87 0.00 0.00 0.89 0.00 0.00 103 Q 8.06 4.57 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 104 T 8.40 4.65 4.24 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 1.24 0.00 0.00 105 F 8.34 4.70 0.00 3.02 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 0.00 106 P 0.00 4.46 0.00 2.05 2.13 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 107 R 7.57 4.67 0.00 1.85 1.84 0.00 3.01 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 108 V 8.41 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 109 L 9.08 4.39 0.00 1.60 1.54 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.63 4.34 0.00 1.92 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 2.40 2.49 0.00 111 L 8.91 4.16 0.00 1.96 1.76 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.04 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 0.00 0.00 0.00 113 R 7.91 4.04 0.00 1.92 2.07 0.00 3.22 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 114 L 8.02 3.97 0.00 1.94 1.69 1.06 0.69 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 0.00 115 K 8.29 4.07 0.00 1.70 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 116 Q 7.56 4.49 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 117 Q 7.89 4.30 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 118 A 8.55 3.97 1.30 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 0.00 119 G 8.04 3.81 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 0.00 0.00 0.00 120 L 8.05 4.68 0.00 1.77 1.63 0.90 1.02 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 0.00 121 V 7.48 3.59 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 0.70 0.00 0.00 0.93 0.00 0.00 122 E 8.01 4.21 0.00 1.98 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 2.29 2.24 0.00 123 L 8.10 4.28 0.00 1.70 1.69 0.94 0.92 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 0.00 124 P 0.00 4.23 0.00 2.23 2.17 0.00 3.68 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 2.17 2.15 0.00 125 L 8.09 3.76 0.00 1.44 1.64 0.15 0.70 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 0.00 126 V 7.58 4.17 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 0.72 0.00 0.00 0.99 0.00 0.00 127 Q 8.08 4.48 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 128 K 8.69 3.85 0.00 1.72 1.76 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 129 G 8.96 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 0.00 130 S 7.85 4.25 0.00 3.98 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 0.00 131 R 8.40 4.66 0.00 1.82 1.89 0.00 3.44 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 132 L 7.71 4.27 0.00 1.75 1.70 1.24 0.94 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 0.00 133 S 8.69 4.68 0.00 4.04 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 0.00 134 V 7.51 4.76 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 *136 P 0.00 3.95 0.00 1.66 1.41 0.00 3.11 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 1.61 1.59 0.00 137 V 7.89 4.65 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.16 0.00 0.00 138 T 9.15 4.13 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 139 P 0.00 4.23 0.00 2.22 2.23 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 140 E 8.16 4.02 0.00 2.07 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 2.41 2.48 0.00 141 Q 8.20 4.08 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 142 W 8.61 4.22 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.39 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.47 3.61 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 0.86 0.00 0.00 0.91 0.00 0.00 145 I 7.57 3.67 1.57 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 1.31 1.32 -0.21 0.00 0.00 146 V 7.79 3.43 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 1.03 0.00 0.00 0.93 0.00 0.00 147 A 7.85 4.01 1.38 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 0.00 0.00 0.00 148 L 7.21 4.03 0.00 1.65 1.71 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.10 3.66 0.00 1.19 1.75 0.00 3.05 0.00 0.00 2.87 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 150 L 7.19 4.09 0.00 1.81 1.50 0.84 0.77 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 * Residues marked with a * may have inaccurate shift predictions.