NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3745 8.2893 120.3487 55.2762 33.3868 175.5501 2 D 4.5898 8.3533 123.7822 51.2309 41.3951 174.1040 3 N 5.3686 8.6485 115.0471 52.2632 38.9946 175.1792 4 V 4.8359 8.3098 119.0367 62.3036 34.0080 175.0072 5 V 4.3500 8.8930 126.6739 61.0614 34.2189 174.3285 6 L 4.6993 8.5758 128.8637 53.9849 42.2603 176.5944 7 I 2.7995 8.6442 126.9157 59.2851 37.3549 175.4388 8 G 4.1474 8.2100 118.9022 45.6547 0.0000 174.5646 9 K 4.2698 8.8746 123.3139 57.1737 32.4573 177.2358 10 K 4.2287 8.0094 118.1952 55.1251 32.8700 174.9371 11 P 4.3925 0.0000 0.0000 62.4335 32.2144 177.6895 12 V 3.7341 8.7593 121.3236 66.9404 31.1599 178.1954 13 M 4.0569 8.0580 116.9177 58.6164 32.0444 177.6842 14 N 4.1557 7.9710 116.7803 56.5696 38.5754 176.9455 15 Y 4.2821 7.4532 117.4432 60.6486 38.0696 178.1552 16 V 3.5053 7.8092 119.5058 66.0333 31.5479 178.3211 17 V 3.4689 7.9461 117.8760 65.7705 31.3162 177.8610 18 A 3.9554 7.9722 120.7227 55.0698 18.2121 179.8066 19 V 3.5492 8.1244 117.1050 66.0906 31.3760 178.2809 20 L 3.9446 7.6447 117.7875 57.9589 41.8310 179.2652 21 T 4.0023 8.1392 115.9430 66.8891 68.2878 176.7226 22 Q 4.0449 8.1094 119.8424 58.8274 28.5420 178.4173 23 L 4.4146 8.1559 119.7568 56.2473 41.7127 178.8681 24 T 4.1364 7.5923 109.2603 63.5484 69.0595 175.3189 25 S 4.7029 7.9825 114.4679 58.0820 64.4332 173.3456 26 N 5.1107 8.0545 117.4288 51.6136 42.1395 174.4416 27 D 4.8126 8.5262 118.7662 54.9721 42.3477 175.8632 28 E 5.2505 7.9717 117.2574 54.4808 33.5114 175.1738 29 V 4.5985 9.0013 122.7266 61.2565 35.6556 173.9348 30 I 4.7506 8.8545 128.5953 59.8708 39.3233 174.4583 31 I 4.8276 8.6768 128.9698 59.6571 39.1189 175.0484 32 K 5.1445 8.6784 125.8281 54.8089 35.8394 175.1183 33 A 4.8022 8.5080 123.3870 51.1582 23.2673 175.3152 34 R 4.9283 8.1885 117.0871 53.8889 34.8664 177.6685 35 G 3.7193 9.3678 110.7701 46.5447 0.0000 177.3517 36 K 3.9912 8.6068 124.0646 58.4338 32.3030 177.8042 37 A 3.9730 7.9642 119.7799 53.7038 18.3463 179.1710 38 I 3.6145 7.6901 119.5321 64.3423 37.1971 178.0702 39 N 4.4147 7.7587 117.4425 55.6082 37.0854 177.2739 40 K 4.0018 7.9149 121.5442 59.0788 32.3890 178.4914 41 A 3.9198 8.0865 121.4537 55.0510 18.2183 179.8306 42 V 3.5492 7.7911 116.7663 66.1019 31.5801 177.8651 43 D 4.3897 8.1310 118.7381 57.4234 40.6732 179.0807 44 V 3.5926 8.2206 118.6805 66.0667 31.6185 177.9530 45 A 4.0330 8.1070 120.4787 55.2669 18.1916 179.5012 46 E 3.9929 8.6947 117.5748 59.6476 29.5111 179.4871 47 M 4.1544 8.3382 118.9259 58.4182 32.0392 178.7185 48 I 3.9503 7.8445 119.9610 64.6136 37.4361 178.5090 49 R 3.9541 8.0175 119.3373 59.5238 29.7010 178.2760 50 N 4.4397 8.7379 115.5462 55.3300 38.8100 176.2002 51 R 4.3592 8.5488 116.4040 55.6325 32.5377 176.1054 52 F 4.7402 8.4315 113.8602 58.6020 41.2607 176.0989 53 I 4.6348 8.0927 121.9256 58.5285 37.0476 176.0317 54 K 4.6436 8.5549 121.9187 58.3633 32.3994 177.8257 55 D 4.5685 7.9559 115.7332 53.7223 40.0803 176.3248 56 I 3.8005 7.7251 121.6423 61.8451 38.5445 175.0173 57 K 4.6667 9.3021 127.6369 54.7469 35.5850 175.7325 58 I 4.5347 8.2076 124.2046 60.0427 36.5667 175.4622 59 K 4.1528 8.7861 130.3056 59.1204 32.8696 176.8972 60 K 4.5212 7.6060 117.6596 55.5836 35.5463 174.1854 61 I 5.1003 8.2806 125.5159 59.7188 40.9608 174.2181 62 E 4.8228 9.4056 127.4134 54.3645 33.1067 174.0928 63 I 4.9128 8.1804 118.9994 59.8570 40.8666 175.2130 64 G 4.1558 8.2504 108.0359 46.4512 0.0000 171.6105 65 T 5.2144 8.5292 115.7003 62.1010 72.3589 173.3791 66 D 5.1178 9.3844 125.8570 52.6768 44.8678 174.5965 67 K 5.2326 8.1506 119.3520 55.7559 36.1500 176.9740 *75 E 4.3133 8.5367 112.7256 55.3915 31.3992 172.7889 76 V 4.5385 7.3364 118.2080 61.9234 34.5911 174.5081 77 N 5.0062 8.5848 123.5001 52.8596 39.6536 174.9523 78 V 4.5495 8.2561 120.3691 60.1126 35.1401 174.8901 79 S 4.9414 8.7914 120.4343 58.8571 64.2845 173.1242 80 T 5.1541 9.0053 112.4708 60.1514 72.5731 172.4690 81 I 5.1269 8.6362 121.7411 59.4789 42.2938 173.4566 82 E 5.0291 9.2242 127.8495 54.6135 33.0333 173.9315 83 I 4.8070 9.1096 127.9801 59.5378 40.4638 174.5461 84 V 4.6082 9.1198 128.1558 61.4016 33.1510 174.3490 85 L 5.2085 8.8792 128.4784 53.3327 43.9751 175.6145 86 A 5.1592 9.0438 124.1216 50.0273 23.0240 176.2372 87 K 4.2021 8.9365 119.7632 56.6793 31.8477 177.1320 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 8.29 4.37 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 D 8.35 4.59 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 3 N 8.65 5.37 0.00 2.88 3.02 0.00 0.00 6.24 7.68 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 4 V 8.31 4.84 2.17 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 0.73 0.00 0.00 0.92 0.00 0.00 5 V 8.89 4.35 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 1.00 0.00 0.00 0.95 0.00 0.00 6 L 8.58 4.70 0.00 1.57 1.58 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.64 2.80 1.59 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.43 0.00 0.00 8 G 8.21 4.15 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 0.00 0.00 0.00 9 K 8.87 4.27 0.00 1.81 1.91 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 10 K 8.01 4.23 0.00 1.09 1.43 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 P 0.00 4.39 0.00 2.27 1.95 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 12 V 8.76 3.73 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 1.10 0.00 0.00 1.00 0.00 0.00 13 M 8.06 4.06 0.00 2.14 2.05 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 2.65 2.72 0.00 14 N 7.97 4.16 0.00 2.44 2.48 0.00 0.00 6.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.45 4.28 0.00 3.20 2.95 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 16 V 7.81 3.51 2.17 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 0.52 0.00 0.00 1.02 0.00 0.00 17 V 7.95 3.47 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 0.99 0.00 0.00 0.87 0.00 0.00 18 A 7.97 3.96 1.42 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 0.00 0.00 19 V 8.12 3.55 2.17 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 1.00 0.00 0.00 1.01 0.00 0.00 20 L 7.64 3.94 0.00 1.72 1.63 0.41 0.69 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 21 T 8.14 4.00 4.42 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 1.20 0.00 0.00 22 Q 8.11 4.04 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 23 L 8.16 4.41 0.00 1.88 1.72 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.59 4.14 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 1.28 0.00 0.00 25 S 7.98 4.70 0.00 3.84 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 26 N 8.05 5.11 0.00 2.92 2.73 0.00 0.00 6.82 8.08 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 27 D 8.53 4.81 0.00 2.60 2.69 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 0.00 0.00 0.00 0.00 28 E 7.97 5.25 0.00 1.79 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 2.20 2.27 0.00 29 V 9.00 4.60 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 1.14 0.00 0.00 0.93 0.00 0.00 30 I 8.85 4.75 1.86 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 1.22 0.46 0.90 0.00 0.00 31 I 8.68 4.83 1.84 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 1.20 0.60 0.84 0.00 0.00 32 K 8.68 5.14 0.00 1.63 1.61 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.32 7.81 33 A 8.51 4.80 1.11 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 34 R 8.19 4.93 0.00 1.70 1.76 0.00 3.28 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 35 G 9.37 3.72 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 0.00 0.00 0.00 36 K 8.61 3.99 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 37 A 7.96 3.97 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 I 7.69 3.61 1.95 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 1.55 0.79 0.90 0.00 0.00 39 N 7.76 4.41 0.00 2.74 3.07 0.00 0.00 6.65 6.61 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 40 K 7.91 4.00 0.00 1.86 1.99 0.00 1.89 0.00 0.00 2.19 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 A 8.09 3.92 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 42 V 7.79 3.55 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 1.09 0.00 0.00 0.99 0.00 0.00 43 D 8.13 4.39 0.00 2.97 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 44 V 8.22 3.59 2.23 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 1.04 0.00 0.00 1.07 0.00 0.00 45 A 8.11 4.03 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 46 E 8.69 3.99 0.00 2.06 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 2.45 2.51 0.00 47 M 8.34 4.15 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.67 0.00 48 I 7.84 3.95 2.07 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.87 0.96 0.00 0.00 49 R 8.02 3.95 0.00 2.03 2.18 0.00 3.10 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 1.64 1.69 0.00 50 N 8.74 4.44 0.00 2.76 2.85 0.00 0.00 6.88 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.55 4.36 0.00 1.30 1.30 0.00 3.10 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 52 F 8.43 4.74 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 53 I 8.09 4.63 1.93 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 1.38 0.91 0.98 0.00 0.00 54 K 8.55 4.64 0.00 1.74 1.90 0.00 1.77 0.00 0.00 2.40 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 55 D 7.96 4.57 0.00 2.79 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 56 I 7.73 3.80 2.04 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 1.25 0.70 1.00 0.00 0.00 57 K 9.30 4.67 0.00 1.71 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 58 I 8.21 4.53 1.87 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 1.24 0.53 0.91 0.00 0.00 59 K 8.79 4.15 0.00 1.79 1.95 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.39 7.81 60 K 7.61 4.52 0.00 1.82 1.56 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.41 7.81 61 I 8.28 5.10 1.87 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 1.22 0.77 0.90 0.00 0.00 62 E 9.41 4.82 0.00 1.97 1.70 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 2.18 2.23 0.00 63 I 8.18 4.91 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 1.27 0.84 0.90 0.00 0.00 64 G 8.25 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 0.00 0.00 0.00 65 T 8.53 5.21 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 1.28 0.00 0.00 66 D 9.38 5.12 0.00 2.52 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 67 K 8.15 5.23 0.00 1.67 1.68 0.00 1.83 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.38 7.81 *75 E 8.54 4.31 0.00 2.01 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 2.13 1.88 0.00 76 V 7.34 4.54 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 0.98 0.00 0.00 0.93 0.00 0.00 77 N 8.58 5.01 0.00 2.75 2.72 0.00 0.00 6.75 7.68 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 78 V 8.26 4.55 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 0.83 0.00 0.00 0.93 0.00 0.00 79 S 8.79 4.94 0.00 3.79 3.81 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 80 T 9.01 5.15 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 81 I 8.64 5.13 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 1.09 1.56 0.88 0.00 0.00 82 E 9.22 5.03 0.00 2.00 1.70 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 2.18 2.25 0.00 83 I 9.11 4.81 1.86 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 1.10 0.68 0.91 0.00 0.00 84 V 9.12 4.61 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 0.96 0.00 0.00 0.92 0.00 0.00 85 L 8.88 5.21 0.00 1.62 1.56 0.93 0.89 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 86 A 9.04 5.16 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 87 K 8.94 4.20 0.00 1.63 1.74 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.