NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2593 8.2544 120.8592 56.4918 30.1641 174.4885 6 S 4.2684 8.1329 119.6830 56.4743 65.0840 172.1554 7 I 3.9115 8.7151 131.2238 60.7444 38.4317 175.0144 8 A 4.1212 8.4493 128.8895 51.7083 19.0308 176.8416 9 I 4.1391 8.1394 124.2432 60.1889 36.9641 175.3547 10 D 4.5233 8.7071 126.6608 56.7337 41.5266 176.4684 11 S 4.6757 7.4796 109.9487 57.2970 65.3872 172.9968 12 Y 4.7250 8.4233 122.4987 55.9086 40.9772 174.1354 13 Q 4.1975 8.3191 128.3494 54.2332 30.0556 174.4431 14 E 3.8045 8.1884 126.8301 58.2594 30.2226 176.5936 15 D 4.5813 7.6405 116.9829 52.8163 41.5700 174.3840 16 P 4.3602 0.0000 0.0000 63.0690 31.3302 175.4515 17 S 4.4318 7.8824 115.6304 58.2642 66.0734 174.5693 18 V 4.2810 7.3443 115.3377 58.6434 33.8084 175.5016 19 V 4.2278 7.9164 120.1265 61.0037 33.8687 174.9012 20 V 4.0730 8.2807 126.5755 61.3027 31.9682 174.5621 21 S 4.3819 8.2792 122.0586 56.4540 63.6829 172.7118 22 N 4.8732 8.1315 124.6644 51.9976 41.7319 173.1858 23 F 4.6480 8.9472 124.5080 57.2865 38.2926 178.5819 24 F 5.1119 8.3021 122.6088 55.1369 41.2823 174.2880 25 K 3.9864 8.7122 121.4762 58.0770 32.1210 177.6317 26 G 3.9810 8.9791 111.9059 45.1077 0.0000 173.6004 27 V 3.0808 6.7885 119.0155 61.4958 31.4399 175.9657 28 R 4.3318 8.2926 121.3076 54.4646 31.8844 175.0747 29 V 4.1797 8.0510 123.2495 59.9230 33.0717 173.6453 30 P 4.3590 0.0000 0.0000 62.3443 31.7129 177.6017 31 K 4.0437 8.7396 122.0599 59.7124 32.5047 177.8536 32 D 4.4508 8.0075 117.9107 55.5113 39.8249 176.8095 33 T 3.7148 7.6972 117.1581 64.0967 68.7503 172.9301 34 E 4.6875 8.4501 125.6051 54.6004 31.3503 175.3396 35 F 5.0542 8.7285 120.9971 55.7019 42.5657 174.4458 36 Q 4.5793 8.6185 120.3462 53.9873 32.0953 174.6425 37 L 4.7138 8.0653 122.5463 53.3192 44.1961 175.1633 38 Y 4.7714 8.4145 121.9554 55.9523 41.2708 174.6570 39 K 4.6159 8.4818 124.1832 54.0361 34.6767 175.4807 40 K 4.0978 8.4653 126.6645 55.9321 32.7664 176.5746 41 R 4.0222 8.6342 125.7126 56.1905 29.9849 175.9549 42 K 4.6856 8.4338 121.5020 54.8465 35.4773 175.2072 43 Q 4.5766 8.1979 116.9228 54.1725 31.8452 175.5169 44 D 4.5926 8.7246 122.1161 53.8445 41.9691 175.4526 45 Q 4.7455 8.0217 119.4417 54.2940 31.1247 175.2070 46 F 5.0912 8.9320 119.7143 55.6697 43.6601 173.9054 47 V 4.8964 8.5591 119.4584 61.1012 34.3116 174.1977 48 L 4.8359 9.3877 129.8700 53.5069 44.5240 174.3160 49 H 5.3839 9.0330 125.4748 54.4058 32.7053 172.3888 50 G 4.3230 8.9664 111.7510 44.8582 0.0000 170.5070 51 E 5.3280 7.9973 119.6338 55.7947 33.1931 173.0497 52 N 4.3261 7.9009 118.3130 52.9111 40.1985 174.7113 53 E 4.3381 8.8863 115.6402 56.8368 29.7350 177.3015 54 R 4.5629 7.9011 119.5760 56.7702 32.9380 174.9508 55 L 5.2404 7.8160 116.1847 52.9130 46.8977 175.1600 56 E 4.8609 8.9175 119.6151 54.7920 33.2263 174.6791 57 Y 5.0843 8.6176 121.3881 56.3211 40.9907 174.6136 58 D 5.2580 9.1966 123.6756 52.8120 45.3219 174.8755 59 G 4.6543 9.6170 109.7509 45.1070 0.0000 171.0330 60 E 5.4897 8.6865 117.7546 54.6544 33.5281 174.8707 61 T 4.8013 8.3948 110.9453 60.8248 70.5005 173.5255 62 D 4.6861 8.5251 122.1316 53.0104 42.5310 176.2841 63 E 3.9394 9.1548 127.5432 59.6503 29.6236 178.6787 64 L 4.0803 7.8987 119.7308 58.2466 42.2350 178.5898 65 T 3.8915 8.0786 109.6084 65.4085 68.3017 176.1650 66 T 3.8749 7.7634 117.4404 66.4865 68.5475 176.2488 67 K 4.1619 7.4921 117.8436 59.0307 32.2010 178.9503 68 T 4.2750 7.5411 114.5045 64.2100 69.2971 174.7537 69 N 5.0222 8.1623 115.7968 51.0802 42.4544 173.5283 70 Q 4.5749 8.1942 117.2149 54.6103 31.3742 174.5010 71 Y 4.8276 8.0481 117.6452 56.2389 42.0771 173.8475 *73 V 4.1440 8.1678 118.3513 63.3807 32.8551 175.0832 74 G 4.5860 8.8511 113.9681 44.4126 0.0000 172.1240 75 L 4.8169 8.9296 123.4770 53.1625 43.5686 174.6230 76 Y 5.1619 8.6488 125.4105 56.0789 40.7286 174.4695 77 D 4.4359 8.3340 126.6936 52.4249 41.9951 176.5861 78 K 3.5457 8.5527 126.2099 59.7760 32.2242 178.7924 79 Q 4.0666 7.9142 115.7194 59.0488 28.8004 178.0657 80 S 4.1384 8.4264 111.6733 59.0463 63.4086 174.3586 81 G 3.8851 8.0189 109.1911 46.7745 0.0000 173.2957 82 K 4.7870 7.7235 117.2181 54.0907 35.7184 175.3617 83 I 5.1436 8.4448 122.6638 59.3228 41.4894 174.2342 84 N 4.8975 9.0280 125.1081 51.6298 40.7929 173.5088 85 L 5.0966 8.2505 123.9374 53.6100 43.7113 176.1136 86 Y 4.6501 8.6643 119.7764 56.0274 41.2015 175.3087 87 R 4.3679 8.9020 125.4858 56.4521 30.9036 175.5107 88 A 4.8515 8.8155 127.4154 49.4400 22.2143 174.1720 89 P 4.3848 0.0000 0.0000 62.4797 32.2981 175.9012 90 V 4.1180 8.3073 120.0064 61.3852 33.3331 174.1091 91 V 4.7036 8.3074 128.4367 61.3184 33.4382 174.6799 92 T 4.4747 8.6675 118.6490 60.7517 69.9923 174.1189 93 S 5.1155 8.6715 121.7299 56.5467 66.9080 173.0170 94 K 4.6946 9.1205 120.3456 54.7524 35.8915 175.2979 95 I 4.7219 8.2915 123.3976 59.4861 39.4974 175.1899 96 V 4.3576 8.2637 126.1651 60.7097 34.6326 174.6069 97 S 4.3963 8.7466 122.7962 58.2472 63.1990 173.5800 98 K 4.2200 8.2591 126.6319 56.5573 31.5711 175.9470 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 5 R 8.25 4.26 0.00 1.78 1.95 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 6 S 8.13 4.27 0.00 3.89 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 7 I 8.72 3.91 1.86 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 1.34 0.91 0.91 0.00 0.00 8 A 8.45 4.12 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 9 I 8.14 4.14 1.86 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 1.28 0.59 0.94 0.00 0.00 10 D 8.71 4.52 0.00 2.63 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 11 S 7.48 4.68 0.00 3.99 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 12 Y 8.42 4.73 0.00 2.82 2.87 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 0.00 13 Q 8.32 4.20 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 14 E 8.19 3.80 0.00 1.72 1.84 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 2.25 2.24 0.00 15 D 7.64 4.58 0.00 2.82 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 16 P 0.00 4.36 0.00 2.00 1.95 0.00 3.59 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 2.00 2.05 0.00 17 S 7.88 4.43 0.00 3.87 3.76 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 0.00 0.00 0.00 0.00 18 V 7.34 4.28 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 0.69 0.00 0.00 0.91 0.00 0.00 19 V 7.92 4.23 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 0.70 0.00 0.00 0.87 0.00 0.00 20 V 8.28 4.07 2.03 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.28 4.38 0.00 3.62 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 22 N 8.13 4.87 0.00 2.57 2.55 0.00 0.00 6.96 7.02 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 23 F 8.95 4.65 0.00 2.71 2.21 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 24 F 8.30 5.11 0.00 3.27 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 25 K 8.71 3.99 0.00 1.86 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.51 7.81 26 G 8.98 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 0.00 0.00 0.00 27 V 6.79 3.08 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 0.00 0.00 0.53 0.00 0.00 0.06 0.00 0.00 28 R 8.29 4.33 0.00 1.76 1.85 0.00 3.33 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 29 V 8.05 4.18 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 0.99 0.00 0.00 0.62 0.00 0.00 30 P 0.00 4.36 0.00 2.20 1.95 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 31 K 8.74 4.04 0.00 1.88 1.97 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 D 8.01 4.45 0.00 2.80 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 33 T 7.70 3.71 4.28 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 0.71 0.00 0.00 34 E 8.45 4.69 0.00 1.88 1.86 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 2.23 2.46 0.00 35 F 8.73 5.05 0.00 2.94 2.93 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 36 Q 8.62 4.58 0.00 2.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 37 L 8.07 4.71 0.00 1.49 1.41 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.41 4.77 0.00 2.95 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 39 K 8.48 4.62 0.00 1.69 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 40 K 8.47 4.10 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.63 4.02 0.00 1.85 1.89 0.00 3.23 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 42 K 8.43 4.69 0.00 1.82 1.78 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.42 7.81 43 Q 8.20 4.58 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 44 D 8.72 4.59 0.00 2.63 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 0.00 0.00 0.00 45 Q 8.02 4.75 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 46 F 8.93 5.09 0.00 2.88 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 47 V 8.56 4.90 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 0.84 0.00 0.00 0.98 0.00 0.00 48 L 9.39 4.84 0.00 1.76 1.51 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.03 5.38 0.00 3.17 3.18 0.00 5.92 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 50 G 8.97 4.32 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 0.00 0.00 0.00 51 E 8.00 5.33 0.00 1.99 1.84 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 2.22 2.33 0.00 52 N 7.90 4.33 0.00 2.91 2.93 0.00 0.00 7.43 7.54 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 53 E 8.89 4.34 0.00 1.99 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 0.00 2.32 2.24 0.00 54 R 7.90 4.56 0.00 1.97 1.86 0.00 3.04 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 1.50 1.57 0.00 55 L 7.82 5.24 0.00 1.34 1.03 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.92 4.86 0.00 1.90 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 2.23 2.24 0.00 57 Y 8.62 5.08 0.00 2.81 2.83 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 0.00 0.00 0.00 58 D 9.20 5.26 0.00 2.58 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 59 G 9.62 4.65 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 0.00 0.00 0.00 60 E 8.69 5.49 0.00 2.00 2.05 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 2.22 2.29 0.00 61 T 8.39 4.80 4.37 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 1.46 0.00 0.00 62 D 8.53 4.69 0.00 2.82 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 63 E 9.15 3.94 0.00 2.09 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 2.40 2.40 0.00 64 L 7.90 4.08 0.00 1.81 1.81 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.08 3.89 4.32 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 1.36 0.00 0.00 66 T 7.76 3.87 4.57 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 1.24 0.00 0.00 67 K 7.49 4.16 0.00 1.97 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 68 T 7.54 4.27 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 1.19 0.00 0.00 69 N 8.16 5.02 0.00 2.28 2.24 0.00 0.00 6.87 8.35 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 70 Q 8.19 4.57 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 71 Y 8.05 4.83 0.00 3.12 2.87 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 0.00 *73 V 8.17 4.14 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 0.95 0.00 0.00 0.93 0.00 0.00 74 G 8.85 4.59 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 0.00 0.00 0.00 75 L 8.93 4.82 0.00 1.76 1.69 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.65 5.16 0.00 2.88 2.87 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 0.00 77 D 8.33 4.44 0.00 2.60 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 78 K 8.55 3.55 0.00 1.70 1.86 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.50 7.81 79 Q 7.91 4.07 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 80 S 8.43 4.14 0.00 3.93 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 81 G 8.02 3.89 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 0.00 0.00 0.00 82 K 7.72 4.79 0.00 1.65 1.68 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.54 7.81 83 I 8.44 5.14 2.07 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 1.42 1.22 0.96 0.00 0.00 84 N 9.03 4.90 0.00 2.89 2.67 0.00 0.00 6.98 6.19 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 85 L 8.25 5.10 0.00 1.43 1.55 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.66 4.65 0.00 2.88 2.83 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 0.00 0.00 0.00 87 R 8.90 4.37 0.00 1.87 1.90 0.00 3.23 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 88 A 8.82 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.38 0.00 2.00 1.81 0.00 3.49 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.00 90 V 8.31 4.12 1.80 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 0.73 0.00 0.00 0.06 0.00 0.00 91 V 8.31 4.70 2.05 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 0.90 0.00 0.00 0.92 0.00 0.00 92 T 8.67 4.47 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 1.21 0.00 0.00 93 S 8.67 5.12 0.00 3.81 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 94 K 9.12 4.69 0.00 1.63 1.63 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.38 7.81 95 I 8.29 4.72 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.40 0.00 0.00 96 V 8.26 4.36 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 0.97 0.00 0.00 0.89 0.00 0.00 97 S 8.75 4.40 0.00 3.88 3.71 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 98 K 8.26 4.22 0.00 1.81 1.73 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.