NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0300 8.0501 120.3990 62.4284 33.5452 175.7403 8 A 3.9956 7.8609 122.1595 51.0665 18.8587 175.0428 9 L 4.4115 9.3308 124.6611 54.6492 43.7154 174.5500 10 K 4.7818 9.7366 126.5612 55.3151 34.0055 175.6238 11 I 4.9985 9.0084 125.9911 59.3285 40.5776 174.1222 12 L 5.2769 9.2918 129.1165 53.4587 44.5364 174.7725 13 I 4.8549 9.0889 127.6835 59.7209 39.5781 174.8217 14 V 4.6101 9.3881 127.8279 61.0764 33.6969 173.5080 15 E 4.9970 9.0133 128.9590 54.3930 32.4131 175.9339 16 D 4.9391 8.6637 125.1703 54.6605 40.2353 176.4522 17 D 4.5916 8.9784 121.3969 53.5207 42.2764 176.3819 18 T 3.8964 8.6017 124.1214 66.9878 68.6058 176.0343 19 D 4.3557 8.1124 119.7001 57.5666 40.9621 178.7316 20 A 4.1765 8.2385 121.0398 54.9582 18.2740 179.7325 21 R 3.9024 8.4365 117.7068 59.8512 30.1795 178.7422 22 E 4.0296 8.3359 118.4172 58.8330 29.3442 179.2322 23 W 4.1506 8.3322 128.6302 60.4572 30.8819 177.8800 24 L 3.5595 8.2715 118.9993 57.7970 41.0104 179.5124 25 S 4.0234 8.1903 112.8399 61.6748 62.1275 176.2635 26 T 3.7865 7.8351 117.2016 66.6975 68.0071 176.3554 27 I 3.6942 7.4401 121.5360 64.4281 37.0882 178.6628 28 I 3.8299 7.6452 120.8090 64.3289 35.4053 178.5101 29 S 5.2985 8.2869 115.9166 60.1549 62.6280 175.6227 30 N 4.3822 7.7101 119.4566 55.8903 38.7189 174.7522 31 H 4.5462 7.5348 113.6842 55.1374 31.4317 173.6460 32 F 4.6343 8.6008 118.9422 54.6329 41.3347 174.0380 33 P 4.0992 0.0000 0.0000 66.0298 31.6167 177.7161 34 E 3.7330 7.7801 121.8295 54.8594 27.8416 174.2613 35 V 4.5836 6.8434 120.6699 60.4289 34.7096 174.1381 36 W 5.2036 9.2257 127.0058 54.9650 33.3472 174.4249 37 S 5.3637 8.7908 115.1914 57.0270 65.7431 172.9046 38 A 4.8468 9.7560 124.0237 50.3885 22.7860 176.8044 39 G 4.1960 8.7673 107.3544 45.0008 0.0000 173.0449 40 D 4.8604 7.4996 118.2620 50.9416 42.0174 176.6069 41 G 3.6677 8.4584 106.0938 47.5781 0.0000 176.0809 42 E 3.9675 8.5650 121.0601 59.5232 29.6629 178.8874 43 E 4.0798 8.5553 118.1975 59.4033 29.5869 179.3993 44 G 3.7388 8.1956 105.6390 48.0632 0.0000 175.3081 45 E 4.0172 8.2386 121.9466 58.6851 29.5269 178.9443 46 R 3.8331 8.0871 118.8548 59.4957 30.2498 178.4422 47 L 3.8352 8.4443 119.1513 57.5901 41.4627 179.3707 48 F 3.9782 8.3899 120.7005 61.2996 39.1874 177.4762 49 G 3.5719 7.9056 103.8397 47.7568 0.0000 175.3165 50 L 3.9558 7.8155 120.6229 56.8756 41.6847 177.6582 51 H 4.1992 7.4256 111.5391 54.8144 30.2309 174.0930 52 A 2.8170 7.5163 120.5692 52.2794 15.7791 174.8834 53 P 4.5832 0.0000 0.0000 62.0948 33.0065 177.2610 54 D 4.5889 9.0437 120.0167 56.2007 42.3035 176.7234 55 V 4.8699 7.8112 117.2324 60.9251 35.0797 174.4596 56 I 5.0399 8.6248 127.2603 59.6235 40.4726 174.3931 57 I 4.9267 9.1387 128.6990 59.9370 39.0780 174.6115 58 T 5.1956 8.7065 121.6597 60.0168 71.4170 172.8875 59 D 4.7761 8.9829 126.9115 54.6200 42.6958 176.0815 60 I 4.0266 8.3307 119.6892 62.8166 38.6406 176.0783 61 R 4.1758 7.3560 119.2535 54.8236 30.9176 174.4548 *63 P 4.1079 0.0000 0.0000 63.4084 32.4930 176.1995 64 K 4.1464 9.0980 122.6631 57.0182 30.8366 176.3331 65 L 4.3979 7.2560 119.2040 53.4894 44.5453 175.1887 66 G 4.2154 8.3113 114.5401 44.6058 0.0000 174.3672 67 G 3.7390 8.4612 109.1975 47.7667 0.0000 175.5325 68 L 4.1687 7.9058 119.7661 57.6852 42.0120 179.7326 69 E 4.3252 7.6174 117.2289 56.5122 28.7632 179.1117 *71 L 4.0853 8.1318 120.1170 54.9047 43.8097 178.7611 72 D 4.2929 8.2360 117.5896 57.6222 40.7855 178.6703 73 R 3.8784 7.8079 117.2663 59.0799 30.0595 179.0093 74 I 3.7014 7.2726 118.2934 64.3935 37.1138 178.3132 75 K 4.1562 8.8974 119.9798 58.4711 32.1314 177.2562 76 A 4.5459 8.0049 122.0332 50.9821 18.5773 178.3731 77 G 3.9944 7.7709 106.2656 46.9263 0.0000 172.5110 78 G 4.2041 8.3493 110.3471 45.6216 0.0000 174.7816 79 A 4.1123 7.6739 120.7208 52.6362 19.1491 177.6180 80 K 4.5386 8.0615 118.1332 54.2093 32.7008 174.0189 81 P 4.4268 0.0000 0.0000 62.3709 33.3404 177.0928 82 Y 4.0862 8.4703 118.6357 57.6243 39.2912 175.0423 83 V 4.8581 8.5382 122.1545 61.1956 35.0604 173.8195 84 I 4.8873 9.0109 128.9248 59.5423 39.8985 174.5211 85 V 4.6526 8.3389 127.0765 61.2081 33.6383 174.7181 86 I 4.8115 8.7323 130.2143 60.8156 36.8966 175.3784 87 S 4.8035 8.5761 121.9613 56.6011 65.2737 174.6458 *90 S 4.5279 8.5919 113.6863 57.7369 64.6024 174.1106 91 E 4.6151 8.0068 122.3262 57.3875 30.5142 178.4695 *93 K 4.2282 8.6613 121.9067 55.9411 34.2533 175.1055 94 Y 4.4965 7.3527 117.5687 60.9510 37.5433 178.3200 95 F 4.3383 8.3999 119.4667 61.6005 39.7335 176.4741 96 I 3.1767 7.7208 118.5614 64.3336 36.9149 178.2009 97 K 3.9179 8.1314 119.8410 59.3989 31.9731 178.6319 98 A 4.0880 8.3305 121.2706 54.8441 18.3042 179.7822 99 I 3.7435 7.4928 118.7010 64.4182 37.0630 178.0571 100 E 3.9107 8.0486 117.6218 59.7076 29.4145 179.0857 101 L 4.1369 7.7721 117.4873 56.1350 41.6442 178.1932 102 G 4.0074 7.7220 106.4339 45.2576 0.0000 173.8103 103 V 3.5749 7.5232 118.9707 63.2157 32.1091 175.4020 104 H 4.7125 8.7315 123.3645 57.6299 29.7545 175.2261 105 L 4.9530 8.1116 118.5409 53.1922 46.1258 175.1908 106 F 5.0988 8.9018 121.5723 55.6449 41.9443 174.0830 107 L 4.8433 9.1397 127.3525 52.4157 43.9644 173.7460 108 P 4.8223 0.0000 0.0000 62.5986 32.2397 176.2794 109 K 4.4782 8.5441 121.8437 54.8150 33.2373 175.0692 110 P 4.2892 0.0000 0.0000 62.1989 31.7222 176.6273 111 I 3.7937 8.4636 123.8739 62.1538 37.7287 175.2205 112 E 4.5775 8.8062 124.9165 54.1378 29.8204 174.6125 113 P 4.2223 0.0000 0.0000 65.9746 31.2403 177.9034 114 G 3.7557 8.4609 108.9645 48.7686 0.0000 175.3245 115 R 4.0183 8.1684 118.9827 58.8598 29.6111 180.5027 116 L 4.1396 7.8672 116.4693 55.9875 41.8842 177.8328 *118 E 4.2028 8.2203 119.7676 56.2785 31.4953 177.9838 119 T 3.5557 8.1091 115.6506 66.4367 68.3816 176.7127 120 L 3.9383 7.9409 121.0205 57.7807 41.6454 179.2597 121 E 4.1214 8.2180 118.0141 59.7458 29.3601 179.1085 122 D 4.3855 7.7702 118.5603 57.3315 40.8325 178.8305 123 F 4.3225 7.7339 118.6296 60.2360 38.7336 178.0095 124 R 3.9861 8.1843 115.9631 59.7833 29.3037 178.3879 125 H 4.1617 7.9554 116.8595 58.8797 28.4725 177.7676 126 I 3.8409 7.5368 120.0765 63.9420 37.1483 178.1692 127 K 4.1995 8.0827 120.6424 59.4609 31.9859 178.7152 128 L 4.3109 8.4467 120.5521 57.3690 41.4346 179.3249 129 A 4.0956 7.5623 119.0003 54.4178 18.2768 178.0612 130 K 4.4311 7.4873 113.1801 54.7087 34.3455 176.2121 131 E 4.1843 8.7777 124.4592 56.8480 30.2233 174.4016 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 7 V 8.05 4.03 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 1.07 0.00 0.00 0.95 0.00 0.00 8 A 7.86 4.00 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 9 L 9.33 4.41 0.00 1.74 1.78 0.99 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.74 4.78 0.00 1.97 2.29 0.00 1.99 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.62 1.66 7.81 11 I 9.01 5.00 1.80 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 0.98 0.73 0.88 0.00 0.00 12 L 9.29 5.28 0.00 1.91 1.80 1.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 I 9.09 4.85 1.92 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 1.13 0.87 0.96 0.00 0.00 14 V 9.39 4.61 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 1.07 0.00 0.00 0.98 0.00 0.00 15 E 9.01 5.00 0.00 2.14 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 2.32 2.54 0.00 16 D 8.66 4.94 0.00 2.95 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 17 D 8.98 4.59 0.00 2.80 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 18 T 8.60 3.90 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 1.24 0.00 0.00 19 D 8.11 4.36 0.00 2.89 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 20 A 8.24 4.18 1.42 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 0.00 0.00 0.00 21 R 8.44 3.90 0.00 2.17 2.14 0.00 3.21 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 22 E 8.34 4.03 0.00 2.16 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 2.38 2.75 0.00 23 W 8.33 4.15 0.00 3.51 3.47 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 24 L 8.27 3.56 0.00 1.96 1.69 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.19 4.02 0.00 3.88 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 26 T 7.84 3.79 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 1.18 0.00 0.00 27 I 7.44 3.69 1.34 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.03 0.68 0.00 0.00 28 I 7.65 3.83 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.47 0.91 0.00 0.00 29 S 8.29 5.30 0.00 3.95 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 30 N 7.71 4.38 0.00 2.99 2.68 0.00 0.00 6.94 7.77 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 31 H 7.53 4.55 0.00 3.01 2.85 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.60 4.63 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 33 P 0.00 4.10 0.00 2.10 2.11 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 34 E 7.78 3.73 0.00 2.02 1.65 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 2.36 2.30 0.00 35 V 6.84 4.58 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 0.72 0.00 0.00 0.88 0.00 0.00 36 W 9.23 5.20 0.00 3.39 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 37 S 8.79 5.36 0.00 3.86 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 38 A 9.76 4.85 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 39 G 8.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.50 4.86 0.00 3.11 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 41 G 8.46 3.67 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 0.00 0.00 0.00 42 E 8.56 3.97 0.00 2.23 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 2.33 2.34 0.00 43 E 8.56 4.08 0.00 2.03 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 2.42 2.40 0.00 44 G 8.20 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.24 4.02 0.00 2.11 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 2.32 2.31 0.00 46 R 8.09 3.83 0.00 1.92 2.04 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 47 L 8.44 3.84 0.00 1.84 1.71 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.39 3.98 0.00 3.27 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 49 G 7.91 3.57 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 0.00 0.00 0.00 50 L 7.82 3.96 0.00 1.35 1.09 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 H 7.43 4.20 0.00 1.99 1.84 0.00 5.75 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 52 A 7.52 2.82 1.02 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 53 P 0.00 4.58 0.00 2.51 2.25 0.00 2.68 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 54 D 9.04 4.59 0.00 2.65 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 55 V 7.81 4.87 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 0.91 0.00 0.00 0.82 0.00 0.00 56 I 8.62 5.04 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.92 0.00 0.00 57 I 9.14 4.93 1.90 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 1.15 0.99 0.95 0.00 0.00 58 T 8.71 5.20 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 1.19 0.00 0.00 59 D 8.98 4.78 0.00 2.93 2.51 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 60 I 8.33 4.03 1.69 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 1.41 0.58 0.44 0.00 0.00 61 R 7.36 4.18 0.00 1.72 1.79 0.00 3.29 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 *63 P 0.00 4.11 0.00 2.21 2.10 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 64 K 9.10 4.15 0.00 1.94 1.99 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 65 L 7.26 4.40 0.00 1.66 1.53 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.31 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 67 G 8.46 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.91 4.17 0.00 1.75 1.75 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.62 4.33 0.00 2.01 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 2.34 2.34 0.00 *71 L 8.13 4.09 0.00 1.84 1.66 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.24 4.29 0.00 2.82 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 73 R 7.81 3.88 0.00 1.78 2.06 0.00 3.20 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 74 I 7.27 3.70 1.65 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.21 -0.04 0.00 0.00 75 K 8.90 4.16 0.00 1.57 1.80 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.53 7.81 76 A 8.00 4.55 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 77 G 7.77 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 78 G 8.35 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.67 4.11 1.43 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 0.00 0.00 80 K 8.06 4.54 0.00 1.59 1.62 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.54 7.81 81 P 0.00 4.43 0.00 2.10 2.26 0.00 3.66 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 1.88 1.79 0.00 82 Y 8.47 4.09 0.00 2.19 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 0.00 0.00 0.00 83 V 8.54 4.86 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 0.95 0.00 0.00 0.88 0.00 0.00 84 I 9.01 4.89 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.95 0.00 0.00 85 V 8.34 4.65 1.75 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 1.10 0.00 0.00 0.73 0.00 0.00 86 I 8.73 4.81 2.02 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 1.35 0.71 1.00 0.00 0.00 87 S 8.58 4.80 0.00 3.98 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 *90 S 8.59 4.53 0.00 3.94 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 91 E 8.01 4.62 0.00 1.60 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 2.25 2.27 0.00 *93 K 8.66 4.23 0.00 1.71 1.85 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 94 Y 7.35 4.50 0.00 3.25 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 95 F 8.40 4.34 0.00 2.80 3.09 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 96 I 7.72 3.18 1.92 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 1.38 0.42 0.79 0.00 0.00 97 K 8.13 3.92 0.00 2.03 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 98 A 8.33 4.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.49 3.74 1.78 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.85 0.00 0.00 100 E 8.05 3.91 0.00 2.06 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 2.28 2.50 0.00 101 L 7.77 4.14 0.00 1.76 1.70 0.97 0.86 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 0.00 102 G 7.72 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 0.00 0.00 0.00 103 V 7.52 3.57 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 0.12 0.00 0.00 0.84 0.00 0.00 104 H 8.73 4.71 0.00 3.39 3.52 0.00 5.70 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 0.00 105 L 8.11 4.95 0.00 1.77 1.49 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.90 5.10 0.00 3.00 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 0.00 107 L 9.14 4.84 0.00 1.76 1.58 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.82 0.00 2.14 2.06 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 109 K 8.54 4.48 0.00 1.78 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 110 P 0.00 4.29 0.00 1.99 1.89 0.00 3.69 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 1.98 2.06 0.00 111 I 8.46 3.79 2.36 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.47 1.10 0.00 0.00 112 E 8.81 4.58 0.00 2.08 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 2.37 2.54 0.00 113 P 0.00 4.22 0.00 2.23 2.36 0.00 3.95 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 114 G 8.46 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.17 4.02 0.00 1.75 1.96 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 116 L 7.87 4.14 0.00 1.76 1.80 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *118 E 8.22 4.20 0.00 2.26 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 2.22 2.31 0.00 119 T 8.11 3.56 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 0.58 0.00 0.00 120 L 7.94 3.94 0.00 1.53 1.05 0.69 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.22 4.12 0.00 2.19 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 2.49 2.37 0.00 122 D 7.77 4.39 0.00 2.57 2.45 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 0.00 123 F 7.73 4.32 0.00 3.10 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 0.00 124 R 8.18 3.99 0.00 2.14 2.36 0.00 3.18 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 125 H 7.96 4.16 0.00 3.39 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.54 3.84 2.09 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 1.09 0.00 0.00 127 K 8.08 4.20 0.00 1.98 2.02 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.56 7.81 128 L 8.45 4.31 0.00 1.77 1.75 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.56 4.10 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 0.00 130 K 7.49 4.43 0.00 1.70 1.83 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.64 7.81 131 E 8.78 4.18 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.