NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1812 8.4401 121.4652 55.4773 30.7987 175.2051 2 A 3.8388 8.3915 127.5816 51.4957 19.1633 175.7587 3 A 4.0069 8.9859 125.7262 54.5525 20.3256 175.8624 4 V 4.7598 7.6252 113.2869 61.5005 34.5038 174.7664 5 T 4.7115 9.2024 124.8887 61.9841 70.8141 173.5147 6 Q 5.3004 8.6812 124.4118 54.6095 31.8351 175.0704 7 S 4.7515 9.0228 116.3824 56.5088 66.2049 172.3223 8 P 4.8084 0.0000 0.0000 62.5960 32.3913 176.1819 9 R 4.3455 8.4135 117.0219 58.1236 31.4521 176.4305 10 N 5.5751 7.9859 114.6604 51.3966 42.6546 174.1214 11 K 4.5869 9.1566 123.6495 54.8994 36.2919 174.6595 12 V 4.8668 8.8013 126.3398 60.2572 33.5227 174.2488 13 A 5.0329 9.2642 129.4965 50.1894 22.6476 175.2295 14 V 4.3974 8.6892 113.0005 60.0455 33.7497 176.3355 15 T 4.1499 8.4245 120.1300 65.7321 68.6459 174.8362 16 G 4.1145 9.2759 115.0488 44.3543 0.0000 173.3726 17 E 4.1109 7.9063 121.4448 55.9032 31.0438 175.4188 18 K 4.6912 8.4655 127.1291 55.7329 33.3187 175.7974 19 V 4.4123 8.7070 127.5979 61.2736 34.4133 174.0936 20 T 4.9315 8.4413 123.5702 61.7008 71.3087 173.0882 21 L 4.6982 8.6012 126.8135 53.1928 43.9147 175.6370 22 S 5.3273 9.3792 120.2944 57.1746 65.6237 172.3859 23 C 5.4061 9.1991 123.3859 54.8612 43.6409 172.2221 24 Q 5.2512 9.5688 127.7166 54.4483 31.1919 174.5041 25 Q 5.1208 9.0961 125.5587 55.2990 30.7192 175.5126 26 T 4.5484 8.4101 108.0578 61.6105 68.5020 174.4605 27 N 4.5447 8.2618 118.9629 52.6584 39.3213 174.5352 28 N 4.3339 7.4577 114.5671 54.2713 36.8500 174.4436 29 H 4.5260 7.5792 112.8004 55.7548 29.5511 176.1748 30 N 4.4588 8.8259 119.9253 55.7130 38.6080 175.2455 31 N 4.9827 7.8242 115.3895 51.8536 40.6988 174.5443 32 M 4.9137 8.0049 121.6670 53.9305 36.9324 173.9053 33 Y 5.2218 9.0200 117.1534 56.4699 43.2245 174.0976 34 W 5.2398 9.4287 122.6846 55.2780 32.1655 174.3755 35 Y 5.5609 9.9916 122.4166 56.1475 41.4965 174.7813 36 R 4.9654 8.9472 117.3804 54.4476 32.9052 174.1079 37 Q 4.7507 8.7179 123.5587 55.1804 30.2768 174.8695 38 D 4.6034 9.1292 127.8456 54.0632 41.9117 175.9891 39 T 3.8835 8.7823 114.3096 63.3275 68.5642 173.9144 40 G 3.9511 8.9974 113.2292 46.1221 0.0000 172.8243 41 H 4.7096 8.6172 118.1811 55.2327 29.9096 172.4434 42 G 4.0564 8.4385 113.2566 45.6920 0.0000 171.9036 43 L 4.9009 8.1576 119.4593 54.1169 42.8690 176.9736 44 R 4.7596 9.0043 122.6188 54.1105 33.0047 175.0466 45 L 4.1515 8.7623 126.6265 55.5895 42.9611 176.4477 46 I 4.0429 8.9987 128.1169 63.2200 38.1610 175.2067 47 H 5.6006 7.9602 117.3175 54.7059 33.8419 171.2548 48 Y 5.5302 8.9353 118.1931 55.8147 42.3288 173.5821 49 S 4.5404 8.1602 112.6735 57.0503 65.7007 173.9678 50 Y 4.6631 9.0739 123.1239 56.6350 38.4278 175.6443 51 G 3.9887 7.0039 108.8251 44.5645 0.0000 171.8629 52 V 3.8840 7.7868 119.6209 64.2054 31.6898 176.1149 53 G 3.9311 9.1460 114.9492 45.5929 0.0000 172.2980 54 N 5.1893 8.1159 117.9302 51.6752 41.1938 173.7877 55 T 4.9098 8.4163 114.4331 60.1511 72.3662 172.7658 56 E 4.6732 8.8246 121.5975 54.2958 34.1326 175.0612 57 K 4.3488 8.7675 122.2593 56.5585 32.6458 177.6574 58 G 4.2434 8.6691 116.1350 46.6022 0.0000 174.1476 59 D 4.7495 9.0305 120.3567 55.7457 41.6171 177.1328 60 I 4.8286 7.4629 110.5317 59.1073 35.3686 174.5008 61 P 4.4054 0.0000 0.0000 65.9625 32.5762 178.8589 62 D 4.3704 8.1606 120.3776 55.8573 41.2399 176.7231 63 G 3.5953 8.6928 111.2916 45.6540 0.0000 172.2478 *65 Y 5.4166 7.2387 115.5818 58.2006 39.3560 173.9943 66 E 4.8537 9.2025 121.1951 54.8518 33.6103 174.3008 67 A 4.9264 8.0244 120.2179 51.2483 22.5024 175.6992 68 S 4.5491 8.8866 113.2756 56.8854 66.4005 173.1373 69 R 5.0802 8.9307 126.8521 53.2188 29.3673 173.6846 70 P 4.4374 0.0000 0.0000 63.9235 32.3385 176.8506 71 S 4.6335 7.5419 112.4108 56.7217 65.8194 174.6224 72 Q 3.9457 8.6938 122.0259 58.7967 28.9661 176.9860 73 E 4.2603 7.8250 115.1140 56.9471 30.4718 175.1998 74 Q 5.1818 7.9076 121.7296 54.1568 31.8283 173.9391 75 F 5.4630 9.2487 128.3297 56.9487 41.9998 173.8524 76 S 5.0855 9.3253 123.3103 56.9912 65.3346 172.9697 77 L 4.5938 8.4342 125.9050 53.0765 44.3098 174.9756 78 I 4.7472 8.5681 126.7151 59.4911 40.5788 174.4321 79 L 4.6189 8.7883 128.3395 52.9466 42.0936 177.1911 80 E 3.7597 8.6872 126.1734 58.6638 30.0257 176.6266 81 S 4.5197 7.5106 113.1996 56.4387 64.4619 172.3782 82 A 4.5291 9.3128 129.9739 52.1002 19.2543 176.2687 83 T 4.7978 8.8522 112.5228 59.0259 71.7667 173.7755 84 P 4.4859 0.0000 0.0000 65.0791 31.5214 178.8475 85 S 4.2696 8.0549 111.1320 60.5351 62.8718 174.7008 86 Q 4.4907 8.0039 119.0467 56.2215 29.0073 175.8598 87 T 4.1576 7.6505 116.0736 64.5983 68.9902 173.4660 88 S 4.5023 8.7985 120.1946 58.2376 67.2654 174.9655 89 V 4.7265 7.5816 121.5431 61.5878 33.1676 173.8071 90 Y 5.2865 9.2626 125.2960 56.2943 41.1696 174.6242 91 F 5.3577 9.6751 121.7555 55.9894 42.6797 173.5673 92 C 4.6293 9.3125 123.3958 55.4023 46.3354 172.0608 93 A 5.3024 9.0294 124.9312 50.2723 22.8629 175.0696 94 S 5.1745 9.0161 113.5866 56.7904 66.3027 173.3389 95 G 4.3510 9.0971 108.1019 44.2126 0.0000 172.2231 96 G 4.2595 9.0551 115.3200 45.8358 0.0000 172.5327 97 G 4.0406 9.0296 107.0634 46.4523 0.0000 173.9841 98 G 3.8482 8.4288 104.8156 46.3315 0.0000 174.3328 99 T 4.4030 7.4651 107.5658 59.1451 71.7308 172.5032 100 L 4.6941 7.6259 123.9522 53.9459 44.7164 174.6651 101 Y 4.7589 8.6623 124.3923 56.3279 40.9343 175.1192 *108 F 4.9193 8.5167 119.9162 57.3607 40.4404 175.1100 109 G 4.1028 9.1260 109.2851 45.8552 0.0000 173.6225 110 A 4.4904 8.7006 121.2508 52.2678 18.9815 178.4768 111 G 3.4226 8.6153 102.6217 44.9636 0.0000 173.2329 112 T 4.8017 8.5557 116.9248 61.5656 72.2077 173.1925 113 R 4.8521 8.7868 126.0851 54.9394 31.8723 175.1066 114 L 5.3228 9.2374 127.1865 53.0901 44.6547 174.9918 115 S 4.9117 9.1270 120.8887 56.5340 65.6196 173.0596 116 V 4.5680 9.3738 126.0790 60.8767 32.7986 175.3547 117 L 4.3183 8.5213 127.8028 55.8280 40.2274 176.7614 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 1 E 8.44 4.18 0.00 1.92 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 2.17 2.30 0.00 2 A 8.39 3.84 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 3 A 8.99 4.01 0.81 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 4 V 7.63 4.76 2.20 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 0.87 0.00 0.00 1.05 0.00 0.00 5 T 9.20 4.71 4.27 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 1.24 0.00 0.00 6 Q 8.68 5.30 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 7 S 9.02 4.75 0.00 3.89 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 8 P 0.00 4.81 0.00 2.41 2.05 0.00 3.79 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 1.97 1.96 0.00 9 R 8.41 4.35 0.00 1.78 2.03 0.00 3.41 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 10 N 7.99 5.58 0.00 2.55 2.66 0.00 0.00 6.60 7.61 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 11 K 9.16 4.59 0.00 1.81 1.57 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 12 V 8.80 4.87 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 1.05 0.00 0.00 0.94 0.00 0.00 13 A 9.26 5.03 1.20 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 14 V 8.69 4.40 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 0.73 0.00 0.00 0.91 0.00 0.00 15 T 8.42 4.15 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 1.24 0.00 0.00 16 G 9.28 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 0.00 0.00 0.00 17 E 7.91 4.11 0.00 2.17 1.82 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 2.26 2.23 0.00 18 K 8.47 4.69 0.00 1.76 1.65 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.37 7.81 19 V 8.71 4.41 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 0.75 0.00 0.00 0.86 0.00 0.00 20 T 8.44 4.93 4.17 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 0.00 0.00 0.00 1.18 0.00 0.00 21 L 8.60 4.70 0.00 0.61 1.26 0.17 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.38 5.33 0.00 3.79 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 23 C 9.20 5.41 0.00 2.69 3.15 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 0.00 0.00 0.00 24 Q 9.57 5.25 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 25 Q 9.10 5.12 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 26 T 8.41 4.55 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 1.28 0.00 0.00 27 N 8.26 4.54 0.00 2.59 2.65 0.00 0.00 7.20 6.92 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 28 N 7.46 4.33 0.00 2.66 2.86 0.00 0.00 6.96 8.04 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 29 H 7.58 4.53 0.00 3.32 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.83 4.46 0.00 2.74 3.07 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.82 4.98 0.00 2.77 2.27 0.00 0.00 6.71 7.33 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 32 M 8.00 4.91 0.00 1.83 1.25 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 33 Y 9.02 5.22 0.00 2.93 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 34 W 9.43 5.24 0.00 3.35 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 35 Y 9.99 5.56 0.00 3.32 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.95 4.97 0.00 1.30 1.60 0.00 2.81 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 37 Q 8.72 4.75 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 38 D 9.13 4.60 0.00 2.94 2.64 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 39 T 8.78 3.88 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 1.22 0.00 0.00 40 G 9.00 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 0.00 0.00 0.00 41 H 8.62 4.71 0.00 3.13 3.05 0.00 5.84 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 42 G 8.44 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 43 L 8.16 4.90 0.00 1.25 1.42 0.25 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.00 4.76 0.00 1.76 1.89 0.00 3.31 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 45 L 8.76 4.15 0.00 1.85 1.58 0.53 0.93 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 46 I 9.00 4.04 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.55 0.43 0.00 0.00 47 H 7.96 5.60 0.00 3.14 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.94 5.53 0.00 2.53 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 49 S 8.16 4.54 0.00 3.05 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 50 Y 9.07 4.66 0.00 3.06 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 51 G 7.00 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 52 V 7.79 3.88 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 0.90 0.00 0.00 1.00 0.00 0.00 53 G 9.15 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 54 N 8.12 5.19 0.00 2.72 2.82 0.00 0.00 6.84 6.98 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 55 T 8.42 4.91 4.34 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 1.38 0.00 0.00 56 E 8.82 4.67 0.00 1.16 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 2.01 2.18 0.00 57 K 8.77 4.35 0.00 1.72 1.82 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.53 7.81 58 G 8.67 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 0.00 0.00 0.00 0.00 59 D 9.03 4.75 0.00 2.63 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 60 I 7.46 4.83 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.03 0.96 0.00 0.00 61 P 0.00 4.41 0.00 2.16 2.15 0.00 3.83 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 2.04 2.04 0.00 62 D 8.16 4.37 0.00 2.74 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 63 G 8.69 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 *65 Y 7.24 5.42 0.00 3.06 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 66 E 9.20 4.85 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 67 A 8.02 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.89 4.55 0.00 3.88 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 69 R 8.93 5.08 0.00 1.97 1.77 0.00 3.58 0.00 0.00 2.93 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 70 P 0.00 4.44 0.00 2.25 2.19 0.00 4.19 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 2.04 2.00 0.00 71 S 7.54 4.63 0.00 4.08 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 72 Q 8.69 3.95 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 73 E 7.82 4.26 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 74 Q 7.91 5.18 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 75 F 9.25 5.46 0.00 2.88 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 76 S 9.33 5.09 0.00 3.76 3.69 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 77 L 8.43 4.59 0.00 0.27 0.13 0.62 0.15 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 78 I 8.57 4.75 1.78 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 1.15 0.28 0.89 0.00 0.00 79 L 8.79 4.62 0.00 1.43 1.43 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.69 3.76 0.00 1.84 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 2.25 2.31 0.00 81 S 7.51 4.52 0.00 3.84 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 82 A 9.31 4.53 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 83 T 8.85 4.80 4.21 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 1.20 0.00 0.00 84 P 0.00 4.49 0.00 2.20 2.16 0.00 3.86 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 2.11 2.04 0.00 85 S 8.05 4.27 0.00 4.00 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 86 Q 8.00 4.49 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 87 T 7.65 4.16 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 1.28 0.00 0.00 88 S 8.80 4.50 0.00 3.75 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 89 V 7.58 4.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 90 Y 9.26 5.29 0.00 3.03 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 91 F 9.68 5.36 0.00 3.17 3.18 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 0.00 92 C 9.31 4.63 0.00 1.23 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.03 5.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 9.02 5.17 0.00 4.05 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 95 G 9.10 4.35 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 0.00 96 G 9.06 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 0.00 0.00 0.00 0.00 97 G 9.03 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 98 G 8.43 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 0.00 0.00 0.00 99 T 7.47 4.40 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 1.26 0.00 0.00 100 L 7.63 4.69 0.00 1.34 1.29 0.57 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.66 4.76 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 F 8.52 4.92 0.00 2.97 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 0.00 109 G 9.13 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.70 4.49 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 0.00 111 G 8.62 3.42 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 0.00 112 T 8.56 4.80 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 1.29 0.00 0.00 113 R 8.79 4.85 0.00 1.94 1.88 0.00 3.24 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 114 L 9.24 5.32 0.00 1.77 1.77 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.13 4.91 0.00 3.90 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 0.00 116 V 9.37 4.57 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 0.93 0.00 0.00 0.94 0.00 0.00 117 L 8.52 4.32 0.00 1.67 1.63 0.98 0.71 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 * Residues marked with a * may have inaccurate shift predictions.