NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5288 8.1933 115.5581 57.6896 65.0491 173.7875 4 C 5.2690 8.2354 115.4136 54.9543 42.9963 172.3584 5 T 4.3847 8.7722 119.0227 62.4499 69.8923 173.3345 6 N 4.9988 8.7166 126.6817 52.6356 40.0710 174.6750 7 T 4.2580 9.3025 125.5233 61.4067 70.1322 174.0763 8 N 4.2010 8.3332 128.9890 54.9277 37.2844 173.3869 9 S 5.0730 8.3159 112.3533 56.9012 67.2438 175.3057 10 Q 4.6177 8.8701 122.3500 54.2588 30.1944 175.0310 11 L 5.0550 8.3438 124.0742 52.5639 44.3700 176.7805 12 S 4.3807 8.9205 118.2312 57.9171 63.9024 175.2115 13 A 3.9994 8.7582 123.6609 54.9671 18.1520 178.3044 14 N 4.7657 7.9028 110.0563 53.3929 39.4435 175.3805 15 S 4.6540 7.5480 114.6425 58.3907 64.0816 173.8867 16 K 4.6403 9.2009 121.1709 54.8232 35.8756 174.5225 17 C 5.3917 8.8681 124.0752 54.8711 44.0584 172.8567 18 E 4.7224 9.4372 124.5607 55.4892 33.8872 175.9180 19 K 4.7020 9.4198 125.3280 56.7988 30.7397 173.8912 20 S 5.1843 7.6241 112.3751 57.1313 68.1474 174.2110 21 T 4.9369 8.9497 118.6920 62.0593 70.5253 173.7215 22 L 4.9077 9.0180 127.5419 53.3326 44.4697 175.9297 23 T 4.7115 8.9050 121.9615 61.5436 71.5322 174.5659 24 N 4.9479 8.6895 126.3394 54.1556 37.2199 172.0592 25 C 5.8557 7.9314 117.8233 54.7907 45.6494 174.1602 *27 V 4.2743 8.2348 120.4141 63.8869 32.7807 175.0328 28 D 5.0263 9.4390 128.6680 52.9395 43.5199 176.2273 29 K 4.2100 8.5351 126.2467 58.0684 32.2610 172.8635 30 S 4.8371 8.5910 115.3861 57.6050 68.4858 174.4797 31 E 4.9329 9.1359 120.5263 54.4119 32.7614 175.6740 32 V 4.4897 8.6778 124.0727 59.8985 34.3324 174.4799 33 F 5.3249 8.9248 125.0588 55.6790 41.8273 176.2879 34 G 4.6535 9.0784 115.1055 47.1225 0.0000 171.9907 35 T 5.1454 8.5172 113.3792 61.8458 73.6890 174.9032 36 T 4.9281 8.7957 120.6028 62.3197 70.7876 172.7910 37 C 5.2313 9.7225 128.8050 55.1669 41.2870 172.6334 38 T 4.8598 8.9694 123.9026 61.6282 71.3332 174.8422 39 G 4.4967 8.9114 118.6979 47.4786 0.0000 171.3606 40 S 5.2421 7.4076 111.9362 56.4215 68.2724 174.2781 41 R 4.7261 8.9050 119.1373 54.4964 33.6841 174.9798 42 F 5.7350 8.5061 120.6347 55.9431 43.3543 173.7109 43 D 4.7658 8.9370 122.7694 53.2321 44.5667 175.2842 44 G 4.0597 9.0777 117.2638 46.0026 0.0000 172.6015 45 V 4.7380 7.9551 117.6606 59.7212 35.3113 175.2471 46 T 4.8464 8.8011 119.3349 62.0345 71.0231 172.3776 47 I 4.8757 8.5036 127.5910 59.2401 40.7543 174.2811 48 T 5.0910 8.9631 125.9612 62.7548 71.9805 174.4459 49 T 4.3022 8.5095 115.2401 62.1303 68.2354 170.0124 50 S 5.0924 8.2198 118.5919 57.7982 68.7969 174.7513 51 T 4.9656 8.9335 116.5098 62.1668 71.6545 173.5037 52 S 5.2775 9.2608 122.4041 56.9155 64.9716 172.7192 53 T 4.8215 9.1251 125.1119 61.9536 71.1303 175.0333 54 G 4.5763 9.0369 117.7399 47.1798 0.0000 171.7930 55 S 5.2351 8.3657 112.8471 56.8106 68.6263 175.0364 56 R 5.1206 9.6935 121.8629 54.6552 32.7478 175.2354 57 I 4.9907 9.2012 124.7960 59.5021 41.1129 174.7409 58 S 5.0583 8.5010 120.3804 56.4494 67.1514 176.6812 59 G 3.9191 8.8644 107.4767 45.7344 0.0000 175.5526 60 P 4.5685 0.0000 0.0000 62.8830 31.7698 176.2632 61 G 3.8708 8.6616 105.6820 45.8639 0.0000 174.3499 62 C 4.8299 7.7127 120.9993 56.0682 42.4151 172.4678 63 K 5.1450 9.3290 125.4193 54.7384 35.6179 175.3296 64 I 5.2038 8.9453 124.8975 59.7760 41.7526 174.5054 65 S 4.8614 9.2000 122.0062 57.7409 66.7588 174.3144 66 T 4.5306 8.3967 120.6237 64.0292 66.3279 170.1383 67 C 5.1950 8.2727 118.4781 55.0002 46.8912 174.7198 68 I 4.8280 8.2334 120.3037 59.5304 40.3133 174.0401 69 I 4.8664 8.9658 131.5912 59.9719 39.5777 174.8906 70 T 4.8168 8.5295 124.5744 61.7433 71.3189 174.9557 71 G 4.4059 10.3003 117.4454 46.5601 0.0000 174.3733 72 G 3.9991 9.0024 107.4749 44.8851 0.0000 174.3528 73 V 4.1090 7.5364 114.3074 58.6136 32.8376 172.9305 74 P 4.7747 0.0000 0.0000 61.9288 31.8461 176.0461 75 A 4.2407 8.4590 127.2013 50.8702 19.1724 175.3908 76 P 4.4208 0.0000 0.0000 62.8211 32.2361 175.9106 77 S 4.4783 8.2182 114.4443 57.3213 65.1468 176.0279 78 A 3.8998 8.7701 128.2091 55.2399 18.3621 179.1565 79 A 4.0512 7.8722 117.3481 54.8566 18.8486 177.8736 80 C 4.9205 7.4873 115.9122 56.5257 41.7534 173.3621 81 K 4.8430 9.0205 126.5115 54.6707 34.5747 175.5964 82 I 5.1968 8.2995 124.1070 59.7810 41.4438 175.0047 83 S 4.2671 9.3430 120.9963 57.1224 65.7225 174.1825 84 G 4.0252 8.8386 117.5122 47.3508 0.0000 172.9709 85 C 5.2918 8.0259 114.0447 54.8247 39.7088 174.8102 86 T 4.6688 8.0621 112.1158 59.9646 70.6852 173.1736 87 F 5.1800 8.7113 123.6744 56.2610 41.8565 174.4045 88 S 4.7092 8.7682 114.2530 57.4656 66.3202 173.4537 89 A 4.5037 8.5340 124.7684 51.4711 19.6491 177.0855 90 N 4.5812 8.4137 117.5164 53.8045 39.1158 174.1215 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 3 S 8.19 4.53 0.00 3.95 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 4 C 8.24 5.27 0.00 2.94 2.99 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 5 T 8.77 4.38 4.25 0.00 0.00 0.00 0.00 0.00 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 6 N 8.72 5.00 0.00 2.72 2.73 0.00 0.00 7.07 7.70 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 7 T 9.30 4.26 4.23 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 1.20 0.00 0.00 8 N 8.33 4.20 0.00 2.84 2.90 0.00 0.00 6.86 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 9 S 8.32 5.07 0.00 3.84 3.74 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 0.00 0.00 0.00 10 Q 8.87 4.62 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 11 L 8.34 5.06 0.00 1.46 1.54 0.89 0.93 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 12 S 8.92 4.38 0.00 3.89 4.09 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 0.00 0.00 0.00 13 A 8.76 4.00 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 14 N 7.90 4.77 0.00 2.71 2.86 0.00 0.00 6.94 7.57 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 15 S 7.55 4.65 0.00 3.96 3.78 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 0.00 0.00 0.00 0.00 16 K 9.20 4.64 0.00 1.48 1.64 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.53 7.81 17 C 8.87 5.39 0.00 2.92 2.91 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 18 E 9.44 4.72 0.00 2.33 1.98 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 2.35 2.47 0.00 19 K 9.42 4.70 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.40 7.81 20 S 7.62 5.18 0.00 3.75 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 21 T 8.95 4.94 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 1.22 0.00 0.00 22 L 9.02 4.91 0.00 1.52 1.52 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.90 4.71 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 24 N 8.69 4.95 0.00 2.84 2.82 0.00 0.00 6.65 8.09 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 25 C 7.93 5.86 0.00 2.67 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 *27 V 8.23 4.27 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 1.11 0.00 0.00 0.82 0.00 0.00 28 D 9.44 5.03 0.00 2.76 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 29 K 8.54 4.21 0.00 2.02 2.07 0.00 1.39 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 30 S 8.59 4.84 0.00 3.74 3.83 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 31 E 9.14 4.93 0.00 1.65 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 0.00 0.00 0.00 2.07 2.14 0.00 32 V 8.68 4.49 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 0.87 0.00 0.00 1.01 0.00 0.00 33 F 8.92 5.32 0.00 3.02 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 34 G 9.08 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 35 T 8.52 5.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 36 T 8.80 4.93 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 1.24 0.00 0.00 37 C 9.72 5.23 0.00 3.04 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 38 T 8.97 4.86 4.25 0.00 0.00 0.00 0.00 0.00 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 39 G 8.91 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 5.24 0.00 3.46 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 41 R 8.90 4.73 0.00 1.70 1.74 0.00 3.02 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 42 F 8.51 5.73 0.00 2.86 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 43 D 8.94 4.77 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.08 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.96 4.74 1.88 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 0.65 0.00 0.00 0.64 0.00 0.00 46 T 8.80 4.85 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 I 8.50 4.88 1.52 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.61 0.00 0.00 48 T 8.96 5.09 4.31 0.00 0.00 0.00 0.00 0.00 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 49 T 8.51 4.30 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 50 S 8.22 5.09 0.00 3.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.93 4.97 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 1.24 0.00 0.00 52 S 9.26 5.28 0.00 4.11 4.06 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 0.00 0.00 0.00 53 T 9.13 4.82 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 1.22 0.00 0.00 54 G 9.04 4.58 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 0.00 55 S 8.37 5.24 0.00 3.90 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 56 R 9.69 5.12 0.00 1.76 1.84 0.00 3.08 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 1.56 1.60 0.00 57 I 9.20 4.99 1.84 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 1.47 1.16 0.54 0.00 0.00 58 S 8.50 5.06 0.00 3.73 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 59 G 8.86 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 60 P 0.00 4.57 0.00 2.03 2.01 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 61 G 8.66 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 0.00 0.00 0.00 0.00 62 C 7.71 4.83 0.00 3.14 3.10 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 63 K 9.33 5.14 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.57 7.81 64 I 8.95 5.20 1.83 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.95 0.00 0.00 65 S 9.20 4.86 0.00 3.69 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 66 T 8.40 4.53 4.41 0.00 0.00 0.00 0.00 0.00 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 67 C 8.27 5.19 0.00 2.87 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 68 I 8.23 4.83 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 1.35 1.51 0.89 0.00 0.00 69 I 8.97 4.87 1.98 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 1.38 0.39 0.96 0.00 0.00 70 T 8.53 4.82 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 1.22 0.00 0.00 71 G 10.30 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 9.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.11 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 0.72 0.00 0.00 1.00 0.00 0.00 74 P 0.00 4.77 0.00 1.69 1.11 0.00 3.44 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.00 75 A 8.46 4.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 1.93 1.96 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 77 S 8.22 4.48 0.00 3.78 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 78 A 8.77 3.90 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 79 A 7.87 4.05 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 80 C 7.49 4.92 0.00 3.18 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 81 K 9.02 4.84 0.00 1.77 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.43 7.81 82 I 8.30 5.20 1.94 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 1.32 0.63 1.15 0.00 0.00 83 S 9.34 4.27 0.00 3.82 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 84 G 8.84 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 8.03 5.29 0.00 2.57 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 0.00 0.00 0.00 0.00 86 T 8.06 4.67 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 1.18 0.00 0.00 87 F 8.71 5.18 0.00 2.92 3.16 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 88 S 8.77 4.71 0.00 3.92 3.69 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 89 A 8.53 4.50 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 90 N 8.41 4.58 0.00 2.68 2.63 0.00 0.00 6.88 7.56 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 * Residues marked with a * may have inaccurate shift predictions.