NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.3361 8.3193 115.4297 58.0180 65.0305 173.4666 12 D 4.4427 8.0523 120.6318 52.0047 38.5531 173.7692 13 L 4.3556 8.8052 125.5090 54.5152 43.1845 179.9299 14 D 4.4795 8.4202 120.8487 56.3176 41.2348 177.9814 15 W 4.3537 8.1661 115.9965 59.0968 28.6383 177.3810 16 L 3.9199 6.3832 118.8872 55.0903 40.8365 179.0940 *18 S 4.0935 8.3291 116.7708 58.5810 65.0034 176.3778 19 G 3.7238 7.9193 106.3989 47.8460 0.0000 175.0531 20 L 3.8566 7.7460 123.1016 57.9066 41.8645 179.1675 21 V 3.8740 7.5291 117.4049 65.7230 31.6184 177.6697 22 Q 4.1318 8.2808 116.5871 58.4950 28.6180 178.2135 23 R 4.4029 7.8962 118.0597 56.4779 30.6621 176.3551 24 V 4.1024 7.3758 118.3803 59.8513 31.7660 172.6015 25 P 4.2318 0.0000 0.0000 64.8822 31.6229 176.7064 26 H 4.3259 9.0067 118.4527 55.8075 26.5577 174.7357 27 T 4.6783 7.7275 110.9644 61.3543 69.9078 175.2102 28 T 4.6036 8.8162 113.6086 62.6349 71.8141 173.7393 29 S 5.0149 7.7973 114.0200 57.2702 66.7094 173.2164 30 A 5.2244 8.8302 121.7699 50.5408 22.7747 175.3736 31 V 4.6566 8.9312 121.7893 60.9983 35.1451 173.7794 32 L 5.0585 9.1477 130.6827 53.5539 43.8354 175.0694 33 L 5.2788 8.7839 125.7349 53.8444 44.4032 176.0106 34 S 4.7699 8.7818 115.3182 58.3165 64.1074 175.0961 35 C 4.1596 8.9226 119.2807 62.0369 27.9913 174.6450 36 D 4.4963 7.9549 117.5667 53.7577 39.5119 176.8739 37 G 4.0640 8.3769 109.2646 45.5677 0.0000 173.1590 38 L 4.5990 7.6951 119.4758 52.3930 43.3597 176.2779 39 V 3.9775 8.2206 122.5937 62.9206 32.1609 175.4084 40 K 4.4756 8.8736 126.5590 57.8219 34.0301 176.7225 41 S 4.7282 7.6025 111.9365 57.2609 65.7893 173.5621 42 V 4.7764 8.6192 125.0764 61.6902 34.9700 173.3690 43 H 4.8047 9.5598 126.9561 55.6304 32.4438 174.1773 44 G 4.0268 9.2733 112.6307 45.9760 0.0000 173.0526 45 L 4.8074 7.2509 118.3060 51.9463 45.2810 176.5676 46 D 4.5986 8.3399 121.4605 52.4036 41.5205 175.6328 47 P 4.1997 0.0000 0.0000 66.0216 31.3423 178.3655 48 D 4.3071 8.1194 115.9341 57.5061 40.9679 178.2399 49 S 4.1443 8.0898 114.0915 61.6524 62.9311 176.1521 50 A 4.1339 8.0026 122.3346 55.2719 18.3536 179.1061 51 D 4.4850 8.1167 117.3429 57.6634 40.9071 179.8736 52 H 4.4387 8.0666 115.7040 55.8752 28.6415 177.4358 *54 A 4.2036 8.0832 125.4252 52.2465 20.8596 179.6984 55 A 3.9942 8.1763 117.5153 55.4576 18.3614 179.9683 56 L 3.9464 7.9626 117.1491 57.8956 41.7002 179.5692 57 A 4.0418 8.0037 120.5303 55.2263 18.3521 179.6807 58 S 4.2834 8.5226 113.0270 61.1446 63.1150 177.0289 59 G 3.6064 7.9524 109.2232 47.7623 0.0000 175.5965 60 L 4.0212 8.0938 122.2478 57.4337 41.6399 179.0160 61 Y 3.9909 8.2377 119.3491 60.8853 38.7812 178.3851 62 S 4.0663 8.3109 115.9564 61.5927 62.9875 176.6640 63 L 4.0898 8.1099 121.7709 57.7593 41.4963 179.8230 64 G 3.5622 8.2575 105.8449 47.7528 0.0000 175.7265 65 R 3.7426 7.7303 121.2082 59.2477 30.1247 178.7403 66 S 4.1019 8.4993 115.1353 61.4006 62.6662 176.6054 67 A 4.2622 8.2105 123.6644 55.2580 18.2153 179.6639 68 G 3.7034 7.9468 103.8132 48.2431 0.0000 175.9407 69 I 3.7178 7.4928 120.9460 64.1833 37.2909 178.2018 70 R 3.8308 8.2240 118.3508 58.0411 29.9231 176.8177 71 F 4.9344 8.3181 114.4256 56.5149 41.9626 175.8726 72 G 4.2911 7.9101 110.7774 45.3805 0.0000 173.9205 73 D 4.7832 8.7430 125.1142 52.9640 39.7185 176.5892 74 G 3.7758 8.2572 106.1823 47.0801 0.0000 174.8794 75 G 3.8441 7.3846 108.2775 44.8033 0.0000 173.6529 76 D 4.5720 8.2532 119.0846 53.0755 41.6191 177.1302 77 V 3.6122 8.1979 122.9546 63.4620 31.7063 175.8969 78 R 4.1949 8.6790 127.3034 58.3318 30.5447 175.8734 79 Q 5.1338 7.5705 113.1478 55.2646 31.8070 172.7542 80 V 4.4296 8.9650 120.7822 61.1452 34.1096 174.4520 81 V 4.5780 8.2847 126.8362 61.0505 34.0185 174.4164 82 V 4.0713 8.4907 128.8576 61.4637 33.0145 174.0329 83 E 4.5463 8.6566 129.7093 55.0553 30.3753 175.3970 84 L 4.5233 8.3064 128.6620 52.9780 44.0859 175.7562 85 D 4.5186 8.7750 118.4357 57.7868 40.9438 177.5221 86 S 4.8572 7.9857 109.1185 57.6973 65.2975 172.3192 87 T 5.1972 7.8861 110.2073 60.1230 72.6140 172.4731 88 L 5.0876 9.1711 121.0690 52.8224 46.1573 175.4223 89 L 5.0747 8.5424 124.7127 53.4536 44.3704 174.7910 90 F 5.1102 9.6873 125.8160 55.7441 41.5560 174.8879 91 V 4.9508 9.2251 124.0172 61.1778 34.0943 174.4394 92 S 5.2309 9.3514 122.0431 56.2966 66.9555 173.4338 93 T 4.0542 8.1153 117.5196 63.3685 68.6217 174.5525 94 A 4.4977 8.8092 128.5851 52.0382 19.7942 175.1539 95 G 3.6796 8.3181 104.8014 45.1422 0.0000 173.2702 96 S 4.1485 8.4838 113.0257 59.8956 62.2770 174.1844 97 G 3.9801 9.1151 115.0173 46.0266 0.0000 172.0242 98 T 5.0933 7.9392 115.4789 61.7774 72.7952 172.8256 99 C 5.1880 9.1282 121.5688 57.8110 33.1530 172.5364 100 L 5.1166 8.9472 122.5802 53.2200 44.7616 174.9127 101 A 5.2827 9.0905 127.5718 50.1355 22.0992 174.8683 102 V 4.8259 9.3565 122.7581 61.0696 34.9509 174.0846 103 L 5.2935 8.7567 127.3361 53.3371 43.8464 175.4568 104 A 5.1010 9.0811 124.1433 50.1326 23.2836 175.6955 105 G 3.9044 9.4223 107.4875 45.9552 0.0000 174.7150 106 R 3.9961 8.6439 122.9443 59.4970 29.9317 177.8831 107 E 3.9226 8.3448 116.9471 58.7544 29.6835 177.4890 108 A 4.0459 7.8201 121.8815 52.1827 18.9682 177.0381 109 D 4.3720 8.6296 121.4543 54.1525 42.1510 176.9182 110 A 3.9866 8.5834 128.9211 53.7406 18.7866 178.7779 111 A 3.8961 8.6521 120.5338 54.9809 18.5339 180.0063 112 V 2.1319 7.6185 116.2293 65.5258 31.4516 177.6079 113 L 3.7182 7.4569 118.9343 58.0880 41.8633 178.8778 114 G 3.6641 7.4344 104.5310 47.9551 0.0000 174.9681 115 Y 4.4364 7.3470 118.7849 59.3354 38.1979 177.6225 116 E 4.2992 7.8182 119.2865 56.2962 30.1121 177.0054 *118 A 4.0976 7.8938 119.6042 52.0794 20.4840 179.3517 *120 L 4.1363 7.9282 122.7131 56.6859 43.9781 178.9923 121 V 3.5835 7.7439 117.1648 66.0938 31.2169 178.0465 122 K 4.0152 7.8169 116.7765 59.3983 31.8835 179.1138 123 S 4.4069 7.8305 114.3181 61.1172 63.3141 176.2762 124 V 3.8139 8.0191 121.1592 65.4377 31.0401 177.7466 125 R 3.9380 7.7706 119.4062 59.1882 29.6632 176.6789 126 P 4.2896 0.0000 0.0000 65.6503 31.3194 177.5425 127 Y 4.2013 7.9184 116.4789 60.4950 38.3289 176.5952 128 L 4.2923 7.6183 119.9229 55.0463 41.5839 177.1401 *130 T 4.1134 7.8642 119.9367 63.9615 68.7874 174.4073 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 11 S 8.32 4.34 0.00 4.01 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 12 D 8.05 4.44 0.00 2.92 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 13 L 8.81 4.36 0.00 1.43 1.17 0.59 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.42 4.48 0.00 2.71 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 15 W 8.17 4.35 0.00 3.61 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 6.38 3.92 0.00 1.25 1.26 0.43 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *18 S 8.33 4.09 0.00 3.86 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 19 G 7.92 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.75 3.86 0.00 1.71 1.62 0.84 0.88 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 21 V 7.53 3.87 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 1.38 0.00 0.00 0.96 0.00 0.00 22 Q 8.28 4.13 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 23 R 7.90 4.40 0.00 1.87 1.99 0.00 3.15 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 24 V 7.38 4.10 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 0.88 0.00 0.00 0.80 0.00 0.00 25 P 0.00 4.23 0.00 2.11 1.98 0.00 3.73 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 2.03 2.13 0.00 26 H 9.01 4.33 0.00 3.36 3.56 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.73 4.68 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 1.16 0.00 0.00 28 T 8.82 4.60 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 1.23 0.00 0.00 29 S 7.80 5.01 0.00 3.94 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 30 A 8.83 5.22 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 31 V 8.93 4.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 32 L 9.15 5.06 0.00 1.66 1.42 0.89 0.20 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 33 L 8.78 5.28 0.00 1.75 1.65 0.91 1.01 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 34 S 8.78 4.77 0.00 3.90 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 35 C 8.92 4.16 0.00 2.96 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 36 D 7.95 4.50 0.00 2.79 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 37 G 8.38 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 38 L 7.70 4.60 0.00 1.67 1.56 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.22 3.98 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 0.77 0.00 0.00 0.94 0.00 0.00 40 K 8.87 4.48 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.32 7.81 41 S 7.60 4.73 0.00 3.76 3.53 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 42 V 8.62 4.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 43 H 9.56 4.80 0.00 3.23 3.09 0.00 5.79 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 44 G 9.27 4.03 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 0.00 0.00 0.00 45 L 7.25 4.81 0.00 1.58 1.52 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.34 4.60 0.00 2.94 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 47 P 0.00 4.20 0.00 2.17 2.15 0.00 3.60 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 2.12 2.16 0.00 48 D 8.12 4.31 0.00 2.71 2.82 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 49 S 8.09 4.14 0.00 4.09 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 50 A 8.00 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.48 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.07 4.44 0.00 3.41 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.08 4.20 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 55 A 8.18 3.99 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 56 L 7.96 3.95 0.00 1.74 1.74 0.93 0.78 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 57 A 8.00 4.04 1.33 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 0.00 0.00 58 S 8.52 4.28 0.00 4.35 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 59 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.09 4.02 0.00 1.92 1.77 0.93 0.62 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 61 Y 8.24 3.99 0.00 3.17 3.13 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 62 S 8.31 4.07 0.00 3.92 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 63 L 8.11 4.09 0.00 1.69 1.72 0.93 0.76 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 64 G 8.26 3.56 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 0.00 0.00 0.00 65 R 7.73 3.74 0.00 1.57 1.85 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 66 S 8.50 4.10 0.00 3.97 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 67 A 8.21 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.49 3.72 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.85 0.00 0.00 70 R 8.22 3.83 0.00 1.48 1.44 0.00 2.85 0.00 0.00 2.95 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 71 F 8.32 4.93 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.74 4.78 0.00 2.75 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 74 G 8.26 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 75 G 7.38 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.25 4.57 0.00 2.71 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 77 V 8.20 3.61 1.96 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 0.84 0.00 0.00 0.60 0.00 0.00 78 R 8.68 4.19 0.00 1.96 1.98 0.00 3.23 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 79 Q 7.57 5.13 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 80 V 8.96 4.43 2.14 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 0.83 0.00 0.00 1.02 0.00 0.00 81 V 8.28 4.58 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 0.26 0.00 0.00 0.86 0.00 0.00 82 V 8.49 4.07 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 0.81 0.00 0.00 0.89 0.00 0.00 83 E 8.66 4.55 0.00 1.92 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 0.00 2.18 2.27 0.00 84 L 8.31 4.52 0.00 1.78 1.59 0.90 1.30 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 85 D 8.77 4.52 0.00 2.60 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 86 S 7.99 4.86 0.00 3.87 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 87 T 7.89 5.20 4.33 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 1.22 0.00 0.00 88 L 9.17 5.09 0.00 1.66 1.08 1.02 0.47 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 89 L 8.54 5.07 0.00 1.72 1.43 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.69 5.11 0.00 2.90 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 91 V 9.23 4.95 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.97 0.00 0.00 92 S 9.35 5.23 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.12 4.05 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 1.31 0.00 0.00 94 A 8.81 4.50 1.16 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 95 G 8.32 3.68 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 0.00 0.00 0.00 96 S 8.48 4.15 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.12 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.94 5.09 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 99 C 9.13 5.19 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.95 5.12 0.00 1.63 1.43 0.94 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 0.00 101 A 9.09 5.28 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 0.00 102 V 9.36 4.83 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 0.95 0.00 0.00 0.91 0.00 0.00 103 L 8.76 5.29 0.00 1.67 1.58 0.93 0.55 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 0.00 104 A 9.08 5.10 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 0.00 105 G 9.42 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 0.00 106 R 8.64 4.00 0.00 1.84 2.11 0.00 3.27 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 107 E 8.34 3.92 0.00 1.67 1.33 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 2.14 2.27 0.00 108 A 7.82 4.05 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 0.00 109 D 8.63 4.37 0.00 2.73 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 0.00 110 A 8.58 3.99 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 0.00 111 A 8.65 3.90 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 0.00 112 V 7.62 2.13 1.83 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 0.75 0.00 0.00 0.92 0.00 0.00 113 L 7.46 3.72 0.00 1.45 1.29 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.43 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 0.00 115 Y 7.35 4.44 0.00 3.04 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 0.00 116 E 7.82 4.30 0.00 1.79 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 2.27 2.36 0.00 *118 A 7.89 4.10 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 *120 L 7.93 4.14 0.00 1.75 1.65 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.74 3.58 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 1.02 0.00 0.00 0.95 0.00 0.00 122 K 7.82 4.02 0.00 1.82 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.78 7.81 123 S 7.83 4.41 0.00 3.94 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 0.00 124 V 8.02 3.81 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 0.99 0.00 0.00 0.84 0.00 0.00 125 R 7.77 3.94 0.00 2.02 2.13 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 126 P 0.00 4.29 0.00 2.04 2.09 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 127 Y 7.92 4.20 0.00 3.16 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 0.00 128 L 7.62 4.29 0.00 1.62 1.70 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *130 T 7.86 4.11 4.50 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.