NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 5.1789 8.1648 122.9877 52.0135 20.7685 177.2801 2 D 4.3310 7.8822 116.4233 54.8884 41.4110 174.2681 3 D 4.4275 8.9298 121.9055 55.3855 39.3729 174.4315 4 A 4.6037 7.3341 122.2894 49.9294 17.4572 176.3232 5 K 4.2991 8.4298 119.9377 54.7920 34.7159 174.4462 6 P 4.4257 0.0000 0.0000 61.8582 32.5971 176.0798 7 R 4.5440 9.1006 120.0008 54.5920 32.3420 174.1627 8 V 4.6634 8.4605 123.2785 60.6557 34.4974 174.7584 9 K 4.4719 9.1075 127.1275 54.6845 34.3641 174.8841 10 V 4.6370 8.1076 126.3299 60.1850 34.7791 173.4237 11 P 4.4789 0.0000 0.0000 62.5763 31.9287 176.9425 12 S 4.5924 8.6504 115.9482 60.6127 64.1183 173.5020 13 S 5.6956 8.1216 113.0078 57.4524 66.1544 173.0289 14 A 4.7067 8.2581 119.9994 50.6013 22.5885 176.2844 15 K 4.2341 8.9660 119.6058 55.9943 32.8951 176.7518 16 A 4.3020 8.3385 125.3523 53.7411 18.7283 178.1777 17 G 4.0847 9.1958 111.9470 44.5536 0.0000 173.7629 18 E 4.1508 7.8187 120.8735 56.7053 30.9659 175.6791 19 T 4.9203 8.4072 121.8622 62.7087 69.9082 174.5187 20 V 4.5531 8.5116 119.3048 59.7129 35.1628 175.0612 21 T 4.7054 8.4465 121.0225 62.5478 69.6043 174.0960 22 V 4.2921 8.6343 126.1022 60.8104 34.3345 174.1917 23 K 4.7884 8.7398 126.8229 54.3673 35.1283 174.9052 24 A 4.8196 8.8212 126.5813 49.9983 21.9554 174.4580 25 L 5.2219 8.9217 124.3278 53.5589 45.9550 175.1080 26 I 4.7675 7.9933 123.7497 59.1389 42.1217 173.7952 27 S 4.8121 8.0642 123.2244 58.3077 64.3282 172.5328 28 H 4.6064 8.9389 122.0629 55.4749 33.7710 172.8645 29 K 4.2321 8.6811 126.7346 56.9440 30.8778 179.7227 *31 E 4.1430 9.2691 129.5692 56.8344 30.5927 176.6661 32 S 4.0699 8.7482 119.3920 59.5154 63.4664 175.4944 33 G 4.3276 8.5356 107.3042 45.2171 0.0000 173.3403 34 Q 4.4987 8.0889 117.0566 55.2736 29.8143 175.4688 35 R 4.8424 7.5793 114.4821 54.3112 33.8191 176.8265 36 K 4.5194 8.6362 121.7450 57.1448 36.4390 177.5729 *42 L 4.1203 8.8998 113.1737 54.1737 43.5813 177.7348 43 I 3.7248 9.5505 120.5893 60.8762 37.8096 174.9763 44 P 4.6898 0.0000 0.0000 62.4114 32.0730 176.1837 45 R 4.1737 8.4779 121.7440 57.1717 30.7204 176.4532 46 S 4.7643 9.0348 121.4365 57.0867 64.0245 172.5792 47 I 4.7924 9.3893 120.3073 58.2607 41.3867 175.1176 48 I 4.3304 8.2568 124.3160 61.7798 37.3294 175.7898 49 N 5.0986 9.1973 122.4106 52.1924 39.0429 174.3605 50 R 5.1904 7.8065 118.8973 55.5277 33.8438 172.9865 51 F 5.3948 9.1833 127.6635 56.6014 42.9329 173.4534 52 T 4.5399 7.8929 115.0835 59.7146 72.4978 172.2017 53 C 4.6881 8.1434 122.9301 57.5561 34.9068 172.4792 54 E 5.0299 8.8952 125.0502 54.3005 33.4421 174.6379 55 L 4.5837 8.5964 124.6377 53.3102 44.7657 176.2777 56 N 4.1773 9.2638 125.7455 54.4878 36.5245 175.5595 57 G 3.8619 8.3150 103.2385 45.5501 0.0000 173.9127 58 V 4.2819 7.2829 119.9556 59.0055 33.2756 174.8586 59 N 4.4721 8.5802 122.9836 53.8487 39.4413 174.1474 60 V 4.0836 8.7082 127.1837 64.8345 32.1267 176.2001 61 V 4.3268 7.0191 118.6784 59.9442 35.0391 173.0513 62 D 4.7730 8.3705 121.4773 52.6871 43.5709 174.4254 63 V 4.1481 8.9110 127.6924 61.0213 33.1492 174.5266 64 A 4.5901 8.5625 130.6910 51.6237 19.2691 176.1433 65 I 4.5505 8.8638 124.4617 59.8244 39.9151 175.4635 66 D 4.9882 8.5614 125.7559 51.6656 43.3285 175.4063 67 P 4.3680 0.0000 0.0000 64.7602 31.2446 177.3401 68 A 4.3331 7.8166 119.6950 52.5120 19.1594 177.7802 69 V 3.8427 7.6399 116.4654 62.2625 32.1872 176.1969 70 S 4.3460 8.3979 122.0055 58.2317 63.4234 174.1212 71 T 3.8306 8.4067 118.3479 65.7555 69.0049 173.8256 72 N 4.8201 9.1098 121.4284 52.3535 36.0890 172.3677 73 P 4.3099 0.0000 0.0000 63.0964 33.1380 176.1498 74 Y 4.7607 7.8199 122.2865 55.8233 41.8626 174.4057 75 F 4.8705 8.1777 123.8201 55.6144 43.4575 173.2641 76 E 4.9654 8.7945 123.2295 54.4899 32.6474 174.2926 77 F 4.9627 8.0238 120.1117 56.5110 42.3833 171.9930 78 D 5.4863 8.9667 117.4230 52.5301 43.9708 175.2013 79 A 5.0316 8.9645 124.8520 50.0474 22.1710 175.4184 80 K 4.5264 8.6836 122.6949 55.6049 33.3006 176.3547 81 V 4.0522 8.7469 129.4041 62.0129 31.8448 175.7657 82 D 4.6951 8.7213 128.4562 55.3852 41.9751 176.7246 83 A 4.5860 7.4488 118.5677 49.7033 22.2854 175.3990 84 A 4.3676 8.6196 123.0071 51.7690 20.1753 179.7773 85 G 4.1864 7.2756 108.1329 45.8801 0.0000 172.4283 86 E 5.1217 7.6799 121.2967 54.5581 33.2716 174.6928 87 F 4.7483 9.4666 122.0201 57.1181 40.7099 174.3118 88 K 4.9242 9.0469 124.3380 54.6725 34.8243 174.4413 89 F 4.9147 9.5510 126.7390 55.9777 41.4911 174.8373 90 T 5.0760 8.3234 120.1586 61.4592 72.1695 172.8496 91 W 5.4030 9.8585 126.1485 55.1824 32.4450 174.1400 92 Y 5.0485 9.2443 122.2285 56.3567 39.9723 174.2974 93 D 5.0813 9.0736 124.9439 52.9897 42.5929 176.8433 94 D 4.4769 9.4563 126.4950 57.8489 41.0036 177.7822 95 D 4.5643 8.7644 115.7520 53.7776 39.4940 177.0179 96 G 4.0458 8.2462 109.2342 45.4302 0.0000 174.5514 97 S 4.2690 8.3465 116.0137 58.5214 64.1792 173.5037 98 V 4.4675 7.6964 121.0316 61.2819 34.3860 174.0400 99 Y 5.0353 8.9137 125.2444 56.3589 40.8018 174.6122 100 E 5.5766 9.0472 121.8705 54.9399 34.0311 174.5636 101 D 4.9772 9.6117 121.5169 52.9228 45.1605 173.9780 102 V 5.0968 8.7076 124.9280 61.1401 34.4199 174.7326 103 K 4.7636 9.2910 128.4158 54.2408 35.1432 173.6354 104 P 5.0107 0.0000 0.0000 62.8651 32.6509 175.5235 105 I 4.8824 9.0160 121.3277 59.3691 41.5202 173.5524 106 A 4.7570 9.0158 131.5900 49.9332 20.5617 178.1989 107 V 5.1171 8.1570 118.8949 59.7064 30.9489 176.1897 108 A 4.1973 7.5887 126.1268 52.4763 18.4224 177.7592 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 A 8.16 5.18 1.57 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 2 D 7.88 4.33 0.00 2.82 2.57 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 3 D 8.93 4.43 0.00 2.72 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 4 A 7.33 4.60 0.30 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 0.00 0.00 5 K 8.43 4.30 0.00 1.74 1.83 0.00 1.24 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 1.27 7.81 6 P 0.00 4.43 0.00 2.14 1.26 0.00 3.51 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 2.00 1.71 0.00 7 R 9.10 4.54 0.00 1.73 1.92 0.00 2.70 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 8 V 8.46 4.66 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 0.22 0.00 0.00 0.25 0.00 0.00 9 K 9.11 4.47 0.00 1.78 1.57 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.36 7.81 10 V 8.11 4.64 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 0.62 0.00 0.00 0.74 0.00 0.00 11 P 0.00 4.48 0.00 2.25 1.99 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 12 S 8.65 4.59 0.00 3.94 4.16 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 13 S 8.12 5.70 0.00 3.91 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 14 A 8.26 4.71 1.36 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 0.00 0.00 0.00 15 K 8.97 4.23 0.00 1.85 1.76 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.58 7.81 16 A 8.34 4.30 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 17 G 9.20 4.08 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 0.00 0.00 0.00 18 E 7.82 4.15 0.00 2.21 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 2.33 2.32 0.00 19 T 8.41 4.92 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 1.25 0.00 0.00 20 V 8.51 4.55 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 0.84 0.00 0.00 1.07 0.00 0.00 21 T 8.45 4.71 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 1.22 0.00 0.00 22 V 8.63 4.29 0.95 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 0.82 0.00 0.00 0.55 0.00 0.00 23 K 8.74 4.79 0.00 1.65 1.67 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.27 7.81 24 A 8.82 4.82 1.23 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 0.00 0.00 0.00 25 L 8.92 5.22 0.00 1.89 1.68 1.01 0.59 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 26 I 7.99 4.77 0.56 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.60 0.46 0.00 0.00 27 S 8.06 4.81 0.00 3.83 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 28 H 8.94 4.61 0.00 3.12 3.07 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.68 4.23 0.00 1.71 1.20 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.39 7.81 *31 E 9.27 4.14 0.00 2.06 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 0.00 2.31 2.27 0.00 32 S 8.75 4.07 0.00 4.00 4.02 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 33 G 8.54 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 0.00 0.00 0.00 0.00 34 Q 8.09 4.50 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 35 R 7.58 4.84 0.00 1.96 2.01 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 36 K 8.64 4.52 0.00 1.94 1.38 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.46 7.81 *42 L 8.90 4.12 0.00 1.71 1.70 0.93 0.84 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 43 I 9.55 3.72 1.93 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 1.36 1.11 0.98 0.00 0.00 44 P 0.00 4.69 0.00 2.09 2.07 0.00 3.79 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 2.00 1.98 0.00 45 R 8.48 4.17 0.00 2.02 1.91 0.00 3.25 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 46 S 9.03 4.76 0.00 3.92 3.77 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 47 I 9.39 4.79 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 1.00 0.00 0.00 48 I 8.26 4.33 2.01 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 1.80 0.54 1.41 0.00 0.00 49 N 9.20 5.10 0.00 2.82 3.25 0.00 0.00 6.27 7.84 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 50 R 7.81 5.19 0.00 1.89 1.91 0.00 2.87 0.00 0.00 2.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 51 F 9.18 5.39 0.00 3.01 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 0.00 0.00 0.00 0.00 52 T 7.89 4.54 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 1.17 0.00 0.00 53 C 8.14 4.69 0.00 2.71 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 5.03 0.00 1.75 1.65 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 2.05 2.03 0.00 55 L 8.60 4.58 0.00 1.37 1.32 -0.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.26 4.18 0.00 2.79 2.78 0.00 0.00 7.09 7.76 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 57 G 8.32 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 0.00 0.00 0.00 58 V 7.28 4.28 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 0.89 0.00 0.00 0.88 0.00 0.00 59 N 8.58 4.47 0.00 2.60 2.68 0.00 0.00 7.06 7.71 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 60 V 8.71 4.08 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 1.01 0.00 0.00 1.06 0.00 0.00 61 V 7.02 4.33 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 -0.39 0.00 0.00 0.68 0.00 0.00 62 D 8.37 4.77 0.00 2.48 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.15 1.69 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 0.68 0.00 0.00 0.63 0.00 0.00 64 A 8.56 4.59 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 65 I 8.86 4.55 2.04 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 1.16 0.00 0.00 66 D 8.56 4.99 0.00 2.81 2.60 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 67 P 0.00 4.37 0.00 2.07 2.29 0.00 3.70 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 2.06 2.13 0.00 68 A 7.82 4.33 1.30 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 0.00 0.00 69 V 7.64 3.84 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 0.85 0.00 0.00 1.09 0.00 0.00 70 S 8.40 4.35 0.00 3.86 3.75 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 71 T 8.41 3.83 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 1.28 0.00 0.00 72 N 9.11 4.82 0.00 2.77 2.83 0.00 0.00 6.97 8.12 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 73 P 0.00 4.31 0.00 2.06 2.20 0.00 3.73 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 2.16 2.08 0.00 74 Y 7.82 4.76 0.00 2.76 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 75 F 8.18 4.87 0.00 2.81 2.94 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 76 E 8.79 4.97 0.00 1.76 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 2.16 2.30 0.00 77 F 8.02 4.96 0.00 3.27 3.19 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 78 D 8.97 5.49 0.00 2.66 2.62 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 79 A 8.96 5.03 1.56 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 80 K 8.68 4.53 0.00 1.82 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.57 7.81 81 V 8.75 4.05 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 1.08 0.00 0.00 82 D 8.72 4.70 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 83 A 7.45 4.59 1.14 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 0.00 0.00 84 A 8.62 4.37 1.26 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 85 G 7.28 4.19 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 0.00 86 E 7.68 5.12 0.00 2.04 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 2.21 2.31 0.00 87 F 9.47 4.75 0.00 3.22 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 88 K 9.05 4.92 0.00 1.71 1.52 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.38 7.81 89 F 9.55 4.91 0.00 3.19 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 5.08 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 0.69 0.00 0.00 91 W 9.86 5.40 0.00 3.54 3.23 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 0.00 92 Y 9.24 5.05 0.00 3.02 2.90 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 93 D 9.07 5.08 0.00 2.93 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 94 D 9.46 4.48 0.00 2.78 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 95 D 8.76 4.56 0.00 2.79 2.84 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 96 G 8.25 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 0.00 0.00 0.00 97 S 8.35 4.27 0.00 3.58 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 4.47 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 0.53 0.00 0.00 0.93 0.00 0.00 99 Y 8.91 5.04 0.00 3.04 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 0.00 100 E 9.05 5.58 0.00 1.90 1.92 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 2.24 2.29 0.00 101 D 9.61 4.98 0.00 3.12 2.90 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 0.00 102 V 8.71 5.10 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 1.05 0.00 0.00 1.02 0.00 0.00 103 K 9.29 4.76 0.00 2.17 1.97 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.57 7.81 104 P 0.00 5.01 0.00 2.17 2.08 0.00 3.87 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 2.06 2.02 0.00 105 I 9.02 4.88 2.16 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.86 0.79 0.00 0.00 106 A 9.02 4.76 1.26 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 0.00 107 V 8.16 5.12 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 0.61 0.00 0.00 0.95 0.00 0.00 108 A 7.59 4.20 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 * Residues marked with a * may have inaccurate shift predictions.