NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7615 8.4201 118.1212 53.4145 41.8933 175.9031 0 A 4.4993 7.5032 122.8599 51.1351 17.4889 178.3107 2 R 4.3316 8.6870 117.6220 56.9313 32.9137 174.0625 3 Q 4.5115 8.1258 123.0307 54.5817 29.5195 174.8525 4 S 4.7841 8.4844 120.8234 57.6386 64.7528 173.3281 5 G 3.9161 7.6404 107.8556 44.5860 0.0000 175.2951 6 S 4.2456 8.7737 117.2966 60.5073 63.4035 174.9668 7 W 4.4932 6.9401 118.3189 56.0290 27.7665 175.2226 *9 T 4.0375 7.4108 108.2575 62.0097 70.1381 174.7586 10 I 3.4324 7.7259 120.1630 63.8263 37.7346 177.6426 11 W 4.4182 7.0097 120.1278 59.4823 28.6933 178.1306 12 D 4.4461 7.8683 119.1140 57.4825 40.2209 178.5727 13 D 4.4106 7.9620 118.8951 57.4736 40.7861 178.9418 14 R 4.2703 7.8775 119.3773 58.8458 30.1249 179.0898 15 I 3.7860 8.3651 119.9308 64.3599 37.0958 178.5134 16 L 4.0679 8.3106 120.1682 57.8187 41.0542 179.4264 17 E 4.0418 8.7129 118.9497 59.4278 29.3264 179.5353 18 I 3.7883 8.0714 119.9193 64.5313 37.2440 178.4357 19 I 3.8641 7.8841 120.6220 64.7611 36.7161 177.7089 20 H 4.1551 8.4636 118.2414 59.5789 29.6798 176.8105 21 E 4.0300 7.9163 118.9097 59.2308 29.4969 178.5544 22 E 4.3069 8.4299 116.6360 56.4758 30.0048 177.7653 23 G 3.9643 10.0654 107.3767 44.9168 0.0000 172.1455 24 N 4.8552 7.6009 114.7239 52.7576 40.0064 173.6813 25 G 4.5140 8.9271 105.1299 45.9042 0.0000 172.3726 26 S 5.2180 8.5000 115.0125 55.3081 66.5107 173.1337 27 P 4.2453 0.0000 0.0000 65.6740 31.1903 178.7952 28 K 3.9040 8.1052 117.1086 60.3334 31.9609 178.7609 29 E 4.1151 7.9642 119.5353 58.4335 29.4562 179.0829 30 L 3.9948 8.0193 120.0944 57.6629 41.5796 178.9546 31 E 3.9028 8.3004 117.8352 58.7135 29.5846 177.8525 32 D 4.5046 7.5007 116.0798 55.1939 41.5885 177.0314 33 R 4.1591 7.6073 119.8834 55.9181 30.7071 177.6193 34 D 4.4182 8.6363 121.4856 57.3895 41.0604 177.8024 35 E 4.1255 8.2375 117.0467 58.0231 29.6504 176.4773 36 I 4.2258 7.3565 120.0178 59.9767 37.6795 175.3052 37 R 4.2810 6.7113 124.3520 55.4318 30.3076 175.9685 38 I 4.1554 6.3952 110.7936 58.3713 40.3055 175.5128 39 S 4.3472 7.9411 116.1040 57.3970 65.1669 174.9889 40 K 3.8299 8.4475 122.7609 59.7806 32.0016 178.7538 41 S 4.1799 7.9963 113.9092 61.5838 62.8878 176.5585 42 S 4.0760 7.8637 118.3706 61.1890 62.5118 176.6319 43 V 3.5293 8.2172 121.2545 66.1324 31.3438 177.6551 44 S 4.0780 8.5206 113.0663 61.8486 62.0717 176.5980 45 R 3.9675 7.9279 120.0300 59.2143 29.8031 179.2275 46 R 3.9728 8.0903 117.9139 59.1615 30.0915 178.8659 47 L 3.6071 8.0312 119.0327 57.7364 41.5587 179.8443 48 K 4.0471 7.8030 117.8482 59.4267 32.0987 179.4014 49 K 3.9520 8.2164 119.9348 59.4397 32.0288 178.8722 50 L 4.1161 8.5048 119.5757 57.6592 41.4074 179.4179 51 A 4.6694 8.0492 122.1452 54.7688 18.1645 179.0675 52 D 4.3173 8.2749 116.7782 57.8029 40.9274 178.1521 53 H 4.4977 7.5570 113.3160 55.0095 28.8349 175.2131 54 D 4.4966 7.9151 118.7378 55.3036 39.0007 174.7319 55 L 4.3218 8.1459 121.8750 56.1732 43.1341 176.6877 56 L 5.3052 7.8830 117.4267 52.7925 46.1322 175.1186 57 Q 4.9149 9.5068 124.4999 54.0420 30.7408 172.7024 58 P 4.3339 0.0000 0.0000 62.4215 32.5953 175.8344 59 L 4.6064 8.3884 124.3496 52.6761 44.5556 175.7434 60 A 4.0154 8.3189 122.1399 53.0448 18.8079 176.3675 61 N 4.3785 9.1511 114.3378 54.8826 37.1323 174.2971 62 G 3.9388 8.1591 100.4189 46.0590 0.0000 173.9268 63 V 4.6263 7.1830 118.2318 61.2768 33.9187 174.2802 64 Y 5.3284 9.4043 122.9707 56.4084 42.2065 174.8318 65 V 4.8910 8.7196 114.3098 59.3862 36.1341 174.9443 66 I 4.4793 8.4192 122.7114 61.2864 39.0217 175.3012 67 T 4.4379 8.3844 118.3591 60.2344 71.2791 175.2168 68 E 3.9596 8.9150 121.4431 59.5981 29.3826 178.4548 69 E 3.7875 8.1902 117.1482 59.0256 29.5502 179.2697 70 G 3.5651 7.9194 106.8015 47.4840 0.0000 175.2453 71 E 3.9179 8.4281 122.0005 58.9713 29.6345 178.5820 72 A 4.0831 8.4400 121.1360 55.4214 18.4046 178.6716 73 Y 4.1558 8.2956 118.1252 61.2354 38.6834 178.4853 74 L 3.6145 7.8582 118.1445 57.5043 41.7761 178.4427 75 N 4.6846 7.8509 113.6905 52.7057 38.7106 175.7066 76 G 3.7969 7.8197 108.5800 46.1258 0.0000 174.0726 77 E 4.7353 8.4986 117.0841 55.8354 31.2459 174.8003 78 Y 4.7135 7.7532 120.7210 55.7002 42.0248 174.1590 79 D 4.7861 8.6242 127.1466 53.1280 41.2864 176.4631 80 A 4.2950 9.0074 128.8860 54.0561 18.4198 178.7426 81 G 3.8352 8.6205 104.5985 47.9901 0.0000 175.8025 82 K 4.0372 8.2201 117.6094 56.1333 33.0319 176.4779 83 E 3.7815 8.1028 118.1586 56.1259 26.8889 173.6752 84 R 4.6405 6.0880 114.3996 54.8579 33.2364 176.0723 85 Y 4.6428 8.8195 118.2379 58.3521 39.0614 176.0901 86 I 4.2013 8.5909 121.8160 61.5627 37.2848 175.6991 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 N 8.42 4.76 0.00 2.70 2.94 0.00 0.00 6.91 6.46 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 A 7.50 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.69 4.33 0.00 1.57 1.56 0.00 3.09 0.00 0.00 2.93 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 3 Q 8.13 4.51 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 4 S 8.48 4.78 0.00 3.71 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 5 G 7.64 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 0.00 0.00 0.00 6 S 8.77 4.25 0.00 3.94 3.96 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 0.00 0.00 0.00 0.00 7 W 6.94 4.49 0.00 3.67 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 *9 T 7.41 4.04 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 1.28 0.00 0.00 10 I 7.73 3.43 1.48 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 0.97 0.97 -0.35 0.00 0.00 11 W 7.01 4.42 0.00 3.71 3.27 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 12 D 7.87 4.45 0.00 2.69 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 13 D 7.96 4.41 0.00 2.91 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 14 R 7.88 4.27 0.00 2.17 2.14 0.00 3.49 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 15 I 8.37 3.79 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.92 0.00 0.00 16 L 8.31 4.07 0.00 1.97 1.82 1.00 1.20 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 17 E 8.71 4.04 0.00 2.22 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 2.35 2.49 0.00 18 I 8.07 3.79 1.92 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 1.57 0.87 0.94 0.00 0.00 19 I 7.88 3.86 1.93 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 1.59 0.82 0.95 0.00 0.00 20 H 8.46 4.16 0.00 3.13 3.65 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.92 4.03 0.00 2.15 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 0.00 2.35 2.37 0.00 22 E 8.43 4.31 0.00 1.94 2.01 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 2.51 2.48 0.00 23 G 10.07 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.60 4.86 0.00 2.70 2.79 0.00 0.00 5.86 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.93 4.51 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 0.00 0.00 0.00 26 S 8.50 5.22 0.00 3.92 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 27 P 0.00 4.25 0.00 2.20 2.32 0.00 3.69 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 28 K 8.11 3.90 0.00 2.02 2.09 0.00 1.40 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.59 7.81 29 E 7.96 4.12 0.00 2.21 2.27 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 2.38 2.44 0.00 30 L 8.02 3.99 0.00 1.95 1.75 0.92 0.59 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 31 E 8.30 3.90 0.00 2.09 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 2.36 2.49 0.00 32 D 7.50 4.50 0.00 2.89 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 33 R 7.61 4.16 0.00 2.01 2.09 0.00 3.30 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 34 D 8.64 4.42 0.00 2.69 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 35 E 8.24 4.13 0.00 2.02 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 0.00 2.37 2.45 0.00 36 I 7.36 4.23 1.80 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.74 0.00 0.00 37 R 6.71 4.28 0.00 1.43 1.78 0.00 3.32 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 38 I 6.40 4.16 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.27 0.16 0.00 0.00 39 S 7.94 4.35 0.00 4.02 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 40 K 8.45 3.83 0.00 1.81 1.83 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.56 7.81 41 S 8.00 4.18 0.00 4.08 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 42 S 7.86 4.08 0.00 4.05 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 43 V 8.22 3.53 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 1.05 0.00 0.00 0.87 0.00 0.00 44 S 8.52 4.08 0.00 3.93 4.05 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 0.00 0.00 0.00 45 R 7.93 3.97 0.00 2.04 1.97 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 46 R 8.09 3.97 0.00 1.97 2.19 0.00 3.38 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 47 L 8.03 3.61 0.00 1.50 0.26 0.84 0.72 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 48 K 7.80 4.05 0.00 2.01 1.88 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.58 7.81 49 K 8.22 3.95 0.00 2.00 1.89 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.34 7.81 50 L 8.50 4.12 0.00 1.79 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.05 4.67 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.32 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.56 4.50 0.00 2.96 3.25 0.00 5.79 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.92 4.50 0.00 2.78 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 55 L 8.15 4.32 0.00 1.75 1.71 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.88 5.31 0.00 1.66 1.77 0.77 0.81 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 57 Q 9.51 4.91 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 58 P 0.00 4.33 0.00 1.87 1.79 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 59 L 8.39 4.61 0.00 1.48 1.60 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.32 4.02 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 61 N 9.15 4.38 0.00 2.80 2.85 0.00 0.00 6.93 7.98 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 62 G 8.16 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 0.00 0.00 0.00 63 V 7.18 4.63 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 0.96 0.00 0.00 0.93 0.00 0.00 64 Y 9.40 5.33 0.00 2.89 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 65 V 8.72 4.89 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 0.83 0.00 0.00 0.96 0.00 0.00 66 I 8.42 4.48 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 1.04 0.00 0.00 67 T 8.38 4.44 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 1.25 0.00 0.00 68 E 8.91 3.96 0.00 2.10 2.09 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 2.48 2.44 0.00 69 E 8.19 3.79 0.00 1.37 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 2.31 2.19 0.00 70 G 7.92 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 71 E 8.43 3.92 0.00 2.29 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 0.00 2.35 2.38 0.00 72 A 8.44 4.08 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 0.00 0.00 0.00 0.00 0.00 73 Y 8.30 4.16 0.00 3.24 3.30 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 0.00 74 L 7.86 3.61 0.00 1.72 1.63 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.85 4.68 0.00 2.82 2.94 0.00 0.00 7.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.82 3.80 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 0.00 0.00 0.00 77 E 8.50 4.74 0.00 2.16 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 2.28 2.25 0.00 78 Y 7.75 4.71 0.00 2.68 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 79 D 8.62 4.79 0.00 2.62 2.42 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 80 A 9.01 4.30 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 81 G 8.62 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 82 K 8.22 4.04 0.00 1.70 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.56 7.81 83 E 8.10 3.78 0.00 2.17 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 2.54 2.49 0.00 84 R 6.09 4.64 0.00 1.83 1.94 0.00 2.93 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 85 Y 8.82 4.64 0.00 2.95 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 86 I 8.59 4.20 1.91 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 1.06 0.57 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.