NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4150 8.3344 115.4111 57.8526 63.5811 172.8515 -1 N 4.0948 8.7728 125.8882 56.5075 38.9020 175.7006 0 A 3.8570 8.8408 119.2837 53.5204 19.6327 178.2139 0 E 3.8870 9.0208 115.6837 57.6204 30.4327 177.0139 3 R 3.9464 8.5199 117.8774 60.1162 30.0468 178.7615 4 H 4.3302 8.1882 114.9870 58.8173 28.6596 177.7586 5 Q 3.9976 8.0638 119.4099 59.1972 28.5919 178.0366 6 H 4.2131 8.2347 118.6179 59.2685 30.0756 176.6831 7 L 3.9252 8.0874 122.0582 58.0612 41.8890 178.6395 8 L 3.9658 8.1945 120.3556 58.2757 42.0837 178.6572 9 S 4.3737 8.6059 114.9615 60.8212 62.1866 175.9231 10 E 3.8702 8.3813 121.2269 59.8799 29.2048 179.1234 11 Y 3.8079 7.9932 116.2773 60.9253 37.5391 178.5660 12 Q 4.0652 8.6642 119.5404 59.1508 28.9024 178.9745 13 Q 4.0319 8.4516 119.3165 58.9692 28.6632 178.9410 14 I 3.6444 7.8811 120.9154 64.3189 37.1393 178.3007 15 L 4.0233 8.3517 121.5205 58.3461 41.8790 178.8246 16 T 4.0179 8.1390 115.8794 66.9929 68.2598 176.3963 17 L 4.0187 7.6836 118.9886 57.9547 41.7142 179.3165 18 S 4.1549 8.3111 112.5857 61.3368 62.4750 175.8053 19 E 4.1916 8.6357 121.8777 59.1960 29.1777 179.5708 20 Q 4.2675 8.0883 116.0255 56.1581 28.5494 178.1105 *22 L 4.1492 7.8523 122.6885 55.2842 44.0730 179.3315 23 V 3.5757 7.4055 111.6292 64.1297 31.2132 178.6219 24 L 3.8093 7.6678 118.3198 57.6973 41.5408 179.4190 25 A 2.9300 7.5152 120.1291 55.0877 18.1218 179.6905 26 T 3.8543 7.7242 113.6366 65.8998 68.5467 175.8135 27 E 4.4192 7.6083 117.3282 54.8229 30.9541 175.7264 28 G 3.1662 7.1891 105.7659 46.8485 0.0000 175.3337 29 N 4.8015 7.3233 116.4564 51.6704 38.4812 176.8580 30 W 4.4215 7.4440 116.7021 58.3985 29.8001 177.8703 31 D 4.4108 7.8049 119.3587 56.2095 39.1165 177.9957 32 A 4.0812 7.8541 120.8970 52.5467 18.8123 178.6286 33 L 4.0239 8.5712 119.7953 57.6888 42.2919 179.0585 34 V 3.9151 7.7225 118.4991 64.1180 31.2548 177.5109 35 D 4.4073 7.9447 117.6595 57.3759 41.7673 177.6661 36 L 4.1530 7.5064 119.0758 57.5657 41.6466 179.1072 37 E 4.1383 7.6565 118.0476 57.1131 29.5603 178.3566 *39 T 4.3978 7.9311 116.2599 63.2571 70.8608 175.8771 40 Y 4.0332 8.0410 121.6744 60.7015 38.7918 177.6560 41 L 3.8507 8.3958 120.1340 57.6801 41.6511 179.7282 42 K 3.9891 8.0077 117.8958 59.3064 32.1071 179.1057 43 A 3.9315 7.8409 121.1954 54.7690 18.1392 179.8296 44 V 3.1727 7.7028 117.0652 65.9934 31.6314 177.4464 45 E 3.8186 8.2861 119.5137 59.7676 29.1596 178.9560 46 S 4.0774 7.7246 111.1768 61.7417 62.7817 175.9132 47 T 4.0028 7.8095 118.0235 66.1667 68.0998 176.8772 48 A 4.0093 8.2323 123.1495 55.1391 18.3132 179.3631 49 N 4.3815 8.3431 114.7010 55.7868 38.0795 177.5228 50 I 3.7118 7.4756 121.6900 64.8737 37.0370 178.3839 51 T 3.9574 7.7858 114.2908 66.5848 68.6644 176.4098 52 I 3.8584 7.5298 121.6010 64.7037 37.0026 178.8217 53 S 4.2339 8.2722 114.8698 60.9730 62.6762 175.9177 54 S 4.5235 7.4125 113.4177 57.6534 63.4254 173.5206 55 C 4.3708 7.5157 124.4181 58.7361 32.0028 173.4928 56 S 4.1622 8.7405 122.1321 61.1888 63.0805 174.6005 57 S 4.2845 7.9274 116.8671 57.5704 62.2553 174.9499 58 L 4.0511 8.2876 130.7689 54.8729 41.2274 179.0624 *60 L 4.2318 8.0834 121.8591 55.2494 44.1280 178.2065 61 Q 4.0066 8.0437 117.4995 59.3013 28.5388 179.0502 62 D 4.3308 7.9197 119.5647 57.0834 40.8979 178.4053 63 L 3.9314 7.8699 120.3194 58.2713 42.0566 178.8381 64 L 3.9925 8.1583 119.0114 57.9172 41.5181 179.6857 65 R 3.8500 8.0836 117.8874 59.3179 29.9362 178.9254 66 E 3.9625 8.3261 118.2497 59.5053 29.5152 179.6863 67 K 3.9787 8.4414 118.8947 59.1135 32.0876 179.2172 68 L 3.8928 8.7081 121.7555 58.2342 41.9750 179.0530 69 R 3.8797 8.3926 118.8193 59.3171 29.9991 178.3659 70 A 3.9855 8.2430 120.7450 55.1116 18.4154 179.5012 71 I 3.6495 8.2911 118.6778 64.7894 37.2463 178.7523 72 L 4.0684 8.0715 119.3779 57.5560 41.3750 179.1202 73 D 4.4738 7.9641 118.6806 56.8237 40.8424 178.5268 74 N 4.3641 8.2200 117.2511 56.1767 38.5291 177.0029 75 E 3.8951 8.3179 120.7156 59.2455 29.5690 178.9146 76 I 3.6918 7.7781 119.7659 64.3974 37.1674 177.8513 77 E 4.0436 8.6780 120.3161 59.4603 29.2111 178.7206 78 I 3.6896 8.1428 119.0392 64.5904 37.4245 178.2882 79 K 4.1303 8.2043 119.0429 59.3961 31.7935 179.3319 80 R 3.8769 8.9665 120.2055 59.3755 29.4877 177.7229 81 L 4.1688 8.4216 118.8295 56.3220 42.1189 177.5616 82 L 4.1260 7.9386 119.7016 57.0701 43.2208 177.6449 83 Q 3.8976 7.9473 119.0870 58.9905 28.9944 177.6944 84 L 3.9135 7.5831 121.5990 58.4578 42.1997 179.3471 85 R 3.9356 7.4177 115.4463 59.0435 29.5391 178.4488 86 L 3.8505 8.3253 121.4997 58.0092 41.8483 178.7615 87 D 4.3271 8.5015 118.2226 57.2098 41.0583 178.2290 88 R 4.0022 8.0978 119.2781 59.4918 29.9632 178.4671 89 L 4.0579 7.8514 118.7494 57.5499 41.6292 179.0530 90 S 4.2883 7.8000 111.1525 59.9678 62.6019 174.9881 91 D 4.5901 7.9704 123.0426 56.7693 41.1992 178.3069 92 L 3.9063 7.2059 119.4265 58.2179 42.9450 178.6898 93 V 3.6743 7.4962 110.1455 62.2387 30.8555 176.3977 94 G 3.7264 8.4937 116.3492 46.2670 0.0000 172.4182 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 S 8.33 4.41 0.00 3.98 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 -1 N 8.77 4.09 0.00 2.81 2.85 0.00 0.00 6.96 7.27 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 A 8.84 3.86 1.22 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 E 9.02 3.89 0.00 1.80 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 0.00 2.37 2.27 0.00 3 R 8.52 3.95 0.00 1.89 2.03 0.00 3.13 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 1.68 1.72 0.00 4 H 8.19 4.33 0.00 3.18 3.33 0.00 5.64 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 5 Q 8.06 4.00 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.58 2.38 0.00 6 H 8.23 4.21 0.00 3.23 3.51 0.00 5.88 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 7 L 8.09 3.93 0.00 1.94 1.85 1.09 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.19 3.97 0.00 1.84 1.90 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.61 4.37 0.00 3.92 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 0.00 10 E 8.38 3.87 0.00 2.09 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 2.33 2.26 0.00 11 Y 7.99 3.81 0.00 3.04 3.02 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 12 Q 8.66 4.07 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 13 Q 8.45 4.03 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 14 I 7.88 3.64 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.77 0.00 0.00 15 L 8.35 4.02 0.00 1.88 1.72 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.14 4.02 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 1.23 0.00 0.00 17 L 7.68 4.02 0.00 2.07 1.93 1.04 0.97 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 18 S 8.31 4.15 0.00 4.01 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 0.00 19 E 8.64 4.19 0.00 2.19 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 0.00 2.34 2.48 0.00 20 Q 8.09 4.27 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.39 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 *22 L 7.85 4.15 0.00 1.80 1.80 0.90 0.97 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 23 V 7.41 3.58 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 0.92 0.00 0.00 0.91 0.00 0.00 24 L 7.67 3.81 0.00 1.59 1.50 0.85 1.05 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 25 A 7.52 2.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.72 3.85 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 1.18 0.00 0.00 27 E 7.61 4.42 0.00 1.84 1.87 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 2.21 2.22 0.00 28 G 7.19 3.17 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 0.00 0.00 0.00 0.00 29 N 7.32 4.80 0.00 2.59 2.77 0.00 0.00 7.09 8.19 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 30 W 7.44 4.42 0.00 3.30 3.28 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 31 D 7.80 4.41 0.00 2.81 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 32 A 7.85 4.08 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 33 L 8.57 4.02 0.00 1.75 1.76 0.95 0.83 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 34 V 7.72 3.92 2.33 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 1.04 0.00 0.00 0.95 0.00 0.00 35 D 7.94 4.41 0.00 2.70 2.73 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 0.00 0.00 0.00 0.00 36 L 7.51 4.15 0.00 1.88 1.72 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.66 4.14 0.00 2.25 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 2.35 2.28 0.00 *39 T 7.93 4.40 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 1.23 0.00 0.00 40 Y 8.04 4.03 0.00 3.15 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 41 L 8.40 3.85 0.00 1.77 1.71 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.01 3.99 0.00 2.02 1.83 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.56 7.81 43 A 7.84 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.70 3.17 1.99 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 0.93 0.00 0.00 0.38 0.00 0.00 45 E 8.29 3.82 0.00 2.07 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 0.00 2.29 2.32 0.00 46 S 7.72 4.08 0.00 3.89 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 47 T 7.81 4.00 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 0.93 0.00 0.00 48 A 8.23 4.01 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 49 N 8.34 4.38 0.00 2.88 2.88 0.00 0.00 6.95 6.72 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 50 I 7.48 3.71 2.02 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 1.56 1.37 0.95 0.00 0.00 51 T 7.79 3.96 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 1.22 0.00 0.00 52 I 7.53 3.86 1.87 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 1.52 1.08 0.94 0.00 0.00 53 S 8.27 4.23 0.00 3.87 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 54 S 7.41 4.52 0.00 4.07 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 55 C 7.52 4.37 0.00 2.97 3.06 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 56 S 8.74 4.16 0.00 4.02 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 57 S 7.93 4.28 0.00 3.88 3.79 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 58 L 8.29 4.05 0.00 1.75 1.66 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *60 L 8.08 4.23 0.00 1.75 1.85 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.04 4.01 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 62 D 7.92 4.33 0.00 2.64 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 63 L 7.87 3.93 0.00 1.75 1.83 0.92 0.65 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 64 L 8.16 3.99 0.00 1.84 1.70 0.92 1.16 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 65 R 8.08 3.85 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.03 0.00 66 E 8.33 3.96 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 2.53 0.00 67 K 8.44 3.98 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 68 L 8.71 3.89 0.00 1.76 1.89 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.39 3.88 0.00 1.92 2.12 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 70 A 8.24 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 71 I 8.29 3.65 2.02 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 1.52 1.06 0.91 0.00 0.00 72 L 8.07 4.07 0.00 1.70 1.72 0.90 0.84 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 73 D 7.96 4.47 0.00 2.66 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 74 N 8.22 4.36 0.00 2.90 2.87 0.00 0.00 6.57 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 75 E 8.32 3.90 0.00 2.19 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 2.37 2.44 0.00 76 I 7.78 3.69 2.03 0.00 0.00 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 1.43 0.89 0.93 0.00 0.00 77 E 8.68 4.04 0.00 2.07 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 2.31 2.41 0.00 78 I 8.14 3.69 2.10 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 1.52 0.75 0.91 0.00 0.00 79 K 8.20 4.13 0.00 1.94 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.77 7.81 80 R 8.97 3.88 0.00 1.75 2.16 0.00 3.09 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 81 L 8.42 4.17 0.00 2.06 1.68 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.94 4.13 0.00 1.92 1.71 0.86 0.66 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 83 Q 7.95 3.90 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 84 L 7.58 3.91 0.00 1.75 1.76 0.96 0.88 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 85 R 7.42 3.94 0.00 1.94 2.29 0.00 2.83 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 86 L 8.33 3.85 0.00 1.56 1.85 0.48 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.50 4.33 0.00 2.68 2.70 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 88 R 8.10 4.00 0.00 1.97 2.11 0.00 3.07 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 89 L 7.85 4.06 0.00 1.91 1.63 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.80 4.29 0.00 4.04 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 91 D 7.97 4.59 0.00 2.93 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 92 L 7.21 3.91 0.00 1.71 1.88 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.50 3.67 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 0.69 0.00 0.00 0.93 0.00 0.00 94 G 8.49 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.