NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6001 8.1627 120.3649 54.8929 33.4891 174.4793 2 Q 3.7328 8.5941 127.0934 57.2912 29.4765 175.8925 3 F 4.2871 9.8983 123.7097 57.8547 38.4917 173.9238 4 K 4.8117 7.7437 120.7491 55.3142 34.1520 175.8362 5 V 4.6093 8.1557 116.9991 60.0236 33.9248 174.7420 6 Y 5.1477 8.5053 121.5520 55.2810 42.2687 174.1517 7 T 4.8836 7.7707 109.8854 59.9035 71.8997 174.1833 8 Y 5.0567 8.6465 116.6516 59.7469 39.2090 176.1711 *14 Y 4.5617 7.3943 117.9379 57.4499 39.5065 174.0200 15 R 4.4850 7.5693 121.3718 55.1008 32.3536 175.8271 16 L 4.8564 7.9642 120.9808 53.0325 45.0956 175.2669 17 F 5.2815 7.7371 114.9465 55.8310 41.7519 172.9123 18 V 4.7315 8.9831 121.8768 61.4098 33.6501 174.1891 19 D 4.9353 9.2543 128.5360 54.3024 41.9285 176.4579 20 V 4.2911 8.5849 118.1476 61.0214 32.9216 175.8285 21 Q 4.1720 8.1019 121.9605 54.9179 29.8085 175.6492 22 S 4.1544 8.2898 117.8374 58.5591 62.9450 174.6687 23 D 4.5586 8.4301 124.7438 55.8799 40.9592 177.4972 24 I 3.9543 7.3305 119.7379 63.0786 37.4411 176.5334 25 I 4.0968 7.0927 121.6983 60.2377 35.4692 174.3028 26 D 4.5915 8.1642 123.7286 55.9437 42.2796 177.9911 27 T 4.0158 7.8590 114.8118 65.7136 68.7206 173.4411 28 P 4.2709 0.0000 0.0000 63.0070 31.8284 176.4979 29 G 4.0144 8.6133 110.1973 45.7700 0.0000 172.7995 30 R 4.8521 7.5481 117.1141 54.1736 34.2898 174.8214 31 R 4.6419 8.6972 121.0589 54.5084 33.5858 174.9960 32 M 4.6354 8.4566 122.7327 55.2420 33.2932 175.7684 33 V 4.9879 8.8655 116.4871 59.5408 36.7072 174.6075 34 I 4.8541 8.6281 123.8768 58.7129 39.7362 173.6880 35 P 4.9974 0.0000 0.0000 62.9700 32.6226 175.1807 36 L 5.3791 8.6306 121.4682 53.3803 43.8493 175.7845 37 A 5.0930 9.0501 122.8949 49.7895 23.2922 175.6641 38 S 3.4829 8.7354 114.2790 58.0002 63.0774 175.3951 39 A 4.0290 8.3499 131.1020 55.0187 18.3168 179.6846 40 R 3.9769 7.6646 111.2018 58.7806 29.6475 177.8071 41 L 4.1561 7.7280 117.6081 55.9604 41.9168 176.8003 42 L 4.7233 7.3268 118.1603 52.3962 44.7272 176.6310 43 S 4.4405 8.2376 116.8130 57.7380 63.9492 174.7689 44 D 4.5245 8.3982 119.9526 56.4439 40.6445 178.0112 45 K 4.1098 7.3834 117.5065 57.8653 32.3023 177.2457 46 V 3.7863 7.3669 119.6060 61.6293 32.0819 175.3949 47 S 4.0763 8.9263 120.9799 59.3968 62.0200 174.9214 48 R 4.6025 8.5577 124.9022 57.0834 30.9398 178.6181 49 E 3.9634 8.1503 118.8362 59.2808 29.7174 178.9506 50 L 3.9377 7.8660 118.5693 57.0760 42.1979 175.9973 51 Y 4.9632 7.6833 116.7080 53.8497 37.9782 173.5095 52 P 4.5695 0.0000 0.0000 62.0835 33.3421 174.9731 53 V 4.7776 8.3230 122.2374 61.5312 32.9925 175.2054 54 V 4.7037 9.1178 120.6204 59.8687 35.8775 173.9973 55 H 5.5161 8.8622 118.4756 54.3078 31.7079 174.1644 56 I 4.4691 8.8269 122.8897 61.0514 39.8742 175.7551 57 G 4.2106 8.5590 117.7355 46.2358 0.0000 173.7519 58 D 4.8115 8.8500 124.0962 53.8121 42.0861 175.8247 59 E 4.4720 7.7566 118.7340 55.4213 31.1848 174.8777 60 S 5.1805 8.0093 116.0484 56.7436 65.8252 173.3743 61 W 5.4201 9.2817 122.9587 55.0390 33.6229 174.2733 62 R 5.1269 9.4114 121.7850 54.9314 32.0138 175.3618 63 M 4.6112 8.9558 123.4571 54.5043 33.1697 176.7552 64 M 4.9552 8.9074 127.9466 53.7799 30.9445 176.9042 65 T 3.8157 8.1436 119.9244 66.9806 69.1246 176.4144 66 T 4.0937 7.8991 107.5324 63.0377 68.9870 174.2560 67 D 4.8923 8.0365 121.9620 54.2317 41.2748 175.8276 68 M 4.3962 7.4371 119.1319 56.5910 32.6756 175.3441 69 A 4.8073 8.8967 125.4277 50.6324 23.5733 175.0541 70 S 4.8900 8.5467 114.9424 57.5204 64.3340 173.9355 71 V 4.4617 8.4250 124.0974 58.7870 34.4068 173.6259 72 P 4.7038 0.0000 0.0000 62.4318 32.0190 178.0453 73 V 3.6321 8.1022 116.3276 64.1929 31.6234 178.6491 74 S 4.2539 8.0360 112.9990 60.2333 63.3024 175.0245 75 V 4.2759 7.7382 113.6483 61.0843 32.0949 175.2812 76 I 4.3544 7.4581 122.4202 60.8630 37.9551 175.9200 77 G 4.2651 9.4935 120.9601 46.2682 0.0000 173.0954 78 E 4.4416 8.7956 120.8750 55.9792 31.5039 176.3039 79 E 3.7321 8.7195 123.2256 56.4369 29.5705 176.0934 80 V 4.0946 8.3288 127.3870 64.5575 33.1288 174.9547 81 A 4.5069 7.1374 119.6285 51.2163 22.9239 174.5339 82 D 4.9731 8.5209 117.7604 52.7911 43.6473 175.4656 83 L 4.7528 9.1215 127.4875 54.4646 42.6487 179.0106 84 S 4.0130 8.3424 118.3135 61.8727 62.8705 176.5308 85 H 4.3250 8.1928 113.8992 57.4382 28.6611 176.4744 86 R 4.3296 7.4997 119.1706 55.8058 30.0518 176.9599 87 E 2.9212 7.4908 122.5526 59.4198 29.3675 178.7027 88 N 4.2493 7.9133 116.0629 56.8273 39.1112 176.4531 89 D 4.3386 7.8937 119.7716 57.3443 41.0315 178.6453 90 I 3.7304 7.6983 120.3580 64.1735 37.0438 178.3494 91 K 4.0228 8.2888 120.6899 59.6443 32.0416 178.3480 92 N 4.3032 8.2772 117.1033 56.4480 38.8625 176.6755 93 A 4.0937 7.9852 123.5024 54.7202 18.4464 179.7255 94 I 3.5778 7.7875 118.2218 64.7022 37.1415 178.5555 95 N 4.5414 8.5177 117.4973 56.0797 38.2239 177.3469 96 L 3.9284 8.0788 122.0211 58.3255 41.9923 178.6637 97 M 3.7415 7.5168 116.9527 58.0981 32.0838 177.6961 98 F 4.0303 7.1342 116.2817 58.9087 39.5360 176.7785 99 W 4.9355 7.3830 115.7692 57.4350 31.0476 176.4254 100 G 4.1140 6.9333 105.0867 44.8108 0.0000 174.2161 101 I 4.1439 8.1740 114.9275 60.7636 37.7369 175.2761 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 M 8.16 4.60 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 2 Q 8.59 3.73 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.86 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 3 F 9.90 4.29 0.00 3.28 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 4 K 7.74 4.81 0.00 2.06 1.16 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.36 7.81 5 V 8.16 4.61 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 0.58 0.00 0.00 0.65 0.00 0.00 6 Y 8.51 5.15 0.00 2.17 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.77 4.88 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 0.77 0.00 0.00 8 Y 8.65 5.06 0.00 3.00 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 *14 Y 7.39 4.56 0.00 2.90 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 15 R 7.57 4.49 0.00 2.22 2.02 0.00 3.08 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 16 L 7.96 4.86 0.00 1.01 1.02 -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.74 5.28 0.00 3.10 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 18 V 8.98 4.73 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 1.13 0.00 0.00 0.95 0.00 0.00 19 D 9.25 4.94 0.00 3.01 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 20 V 8.58 4.29 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 0.88 0.00 0.00 0.96 0.00 0.00 21 Q 8.10 4.17 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 22 S 8.29 4.15 0.00 3.85 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 23 D 8.43 4.56 0.00 2.68 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 24 I 7.33 3.95 1.85 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 1.29 0.35 0.90 0.00 0.00 25 I 7.09 4.10 1.83 0.00 0.00 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 1.15 0.73 0.92 0.00 0.00 26 D 8.16 4.59 0.00 2.59 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 27 T 7.86 4.02 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 1.20 0.00 0.00 28 P 0.00 4.27 0.00 2.14 1.95 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 29 G 8.61 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 30 R 7.55 4.85 0.00 1.59 1.72 0.00 3.09 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 31 R 8.70 4.64 0.00 1.54 1.69 0.00 3.36 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 32 M 8.46 4.64 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 33 V 8.87 4.99 1.97 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 0.49 0.00 0.00 0.56 0.00 0.00 34 I 8.63 4.85 1.94 0.00 0.00 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 1.31 0.79 0.99 0.00 0.00 35 P 0.00 5.00 0.00 2.23 2.31 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 36 L 8.63 5.38 0.00 1.41 1.75 0.54 0.61 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 37 A 9.05 5.09 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 38 S 8.74 3.48 0.00 3.53 3.59 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 39 A 8.35 4.03 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 40 R 7.66 3.98 0.00 1.86 1.99 0.00 2.93 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 41 L 7.73 4.16 0.00 1.86 1.73 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.33 4.72 0.00 1.49 1.44 0.86 0.92 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 43 S 8.24 4.44 0.00 3.98 3.97 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 44 D 8.40 4.52 0.00 2.68 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 45 K 7.38 4.11 0.00 1.83 1.86 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.41 7.81 46 V 7.37 3.79 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 0.51 0.00 0.00 0.82 0.00 0.00 47 S 8.93 4.08 0.00 3.96 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 48 R 8.56 4.60 0.00 1.95 1.98 0.00 3.48 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 49 E 8.15 3.96 0.00 1.97 1.97 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 2.33 2.26 0.00 50 L 7.87 3.94 0.00 1.42 1.44 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.68 4.96 0.00 3.06 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 52 P 0.00 4.57 0.00 2.10 1.99 0.00 3.87 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 2.11 1.93 0.00 53 V 8.32 4.78 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 0.78 0.00 0.00 0.96 0.00 0.00 54 V 9.12 4.70 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 0.73 0.00 0.00 1.03 0.00 0.00 55 H 8.86 5.52 0.00 3.05 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.83 4.47 1.95 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 1.16 0.96 0.88 0.00 0.00 57 G 8.56 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 0.00 0.00 0.00 0.00 58 D 8.85 4.81 0.00 2.68 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 59 E 7.76 4.47 0.00 2.36 1.60 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 2.22 2.32 0.00 60 S 8.01 5.18 0.00 3.61 3.62 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 0.00 0.00 0.00 0.00 61 W 9.28 5.42 0.00 3.24 3.14 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 62 R 9.41 5.13 0.00 1.74 1.91 0.00 3.33 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 63 M 8.96 4.61 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 64 M 8.91 4.96 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 65 T 8.14 3.82 3.87 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 0.00 0.00 1.01 0.00 0.00 66 T 7.90 4.09 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 1.11 0.00 0.00 67 D 8.04 4.89 0.00 2.86 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 68 M 7.44 4.40 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 69 A 8.90 4.81 1.18 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 0.00 0.00 70 S 8.55 4.89 0.00 3.84 3.86 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 71 V 8.42 4.46 1.76 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 0.41 0.00 0.00 0.85 0.00 0.00 72 P 0.00 4.70 0.00 2.19 1.99 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 73 V 8.10 3.63 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 0.89 0.00 0.00 0.89 0.00 0.00 74 S 8.04 4.25 0.00 3.98 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 75 V 7.74 4.28 2.37 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 0.92 0.00 0.00 1.13 0.00 0.00 76 I 7.46 4.35 1.85 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 1.16 0.49 0.47 0.00 0.00 77 G 9.49 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 0.00 0.00 0.00 0.00 78 E 8.80 4.44 0.00 2.08 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 0.00 2.39 2.31 0.00 79 E 8.72 3.73 0.00 1.86 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 2.04 1.75 0.00 80 V 8.33 4.09 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 0.74 0.00 0.00 0.83 0.00 0.00 81 A 7.14 4.51 1.13 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 82 D 8.52 4.97 0.00 2.57 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 83 L 9.12 4.75 0.00 1.81 1.51 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.34 4.01 0.00 3.98 3.97 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 85 H 8.19 4.32 0.00 3.25 3.40 0.00 5.50 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 86 R 7.50 4.33 0.00 1.73 1.80 0.00 3.23 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.61 0.00 87 E 7.49 2.92 0.00 1.57 1.74 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 2.25 2.24 0.00 88 N 7.91 4.25 0.00 2.78 2.76 0.00 0.00 7.18 8.49 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 89 D 7.89 4.34 0.00 2.80 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 90 I 7.70 3.73 1.85 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 1.41 0.97 1.14 0.00 0.00 91 K 8.29 4.02 0.00 2.13 1.97 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.58 7.81 92 N 8.28 4.30 0.00 3.02 2.93 0.00 0.00 7.14 7.82 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 93 A 7.99 4.09 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 94 I 7.79 3.58 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 1.17 0.00 0.00 95 N 8.52 4.54 0.00 2.91 3.08 0.00 0.00 6.71 7.16 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 96 L 8.08 3.93 0.00 2.02 1.68 0.95 0.68 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 97 M 7.52 3.74 0.00 1.51 1.69 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.85 0.00 98 F 7.13 4.03 0.00 1.67 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 99 W 7.38 4.94 0.00 3.29 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 0.00 100 G 6.93 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 0.00 101 I 8.17 4.14 1.90 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 1.32 0.81 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.