NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7772 8.2833 119.4695 53.4838 40.5950 172.9655 3 K 4.5709 9.2645 125.5146 53.6839 36.2657 170.0955 4 V 4.8945 8.5332 122.1621 61.6264 35.2594 173.5098 5 Y 5.2963 9.2733 124.7843 56.1037 41.9650 174.1393 6 L 5.3754 9.0158 122.7209 53.6251 45.4171 175.3176 7 A 5.0973 9.0425 126.4676 51.2469 23.1648 175.7451 8 N 4.8761 8.9748 112.8161 52.1550 38.0360 174.2160 9 A 4.4704 7.3890 119.7852 51.8825 21.9052 174.9151 10 F 5.0258 8.6330 121.4821 56.3991 41.5591 174.8360 11 S 4.2822 7.4633 120.4800 55.7712 65.5309 174.5154 12 I 3.5987 7.9386 126.4070 64.6249 36.9586 177.9457 13 N 4.5233 8.0790 116.6311 55.6783 38.6795 176.2091 14 M 4.3979 7.7991 117.7823 56.8923 32.3925 176.5996 15 L 4.3715 7.6933 119.0126 54.6574 42.5188 176.3834 16 T 4.3211 7.7259 112.5531 62.6234 70.1483 175.0935 17 K 4.5189 7.2363 119.6791 54.1267 34.1066 175.6718 18 F 4.9089 8.1917 119.6656 55.0197 42.9284 173.0400 19 P 4.7361 0.0000 0.0000 62.8799 32.1108 175.5335 20 T 4.5552 8.1947 113.1100 60.1391 70.4897 172.6186 21 K 4.7321 8.2928 129.2891 54.8313 34.2544 175.3133 22 V 4.8423 8.2252 125.6980 59.9167 34.4074 174.6192 23 V 4.3318 8.7667 124.4738 61.2885 33.5325 174.3230 24 I 4.9667 8.2866 127.6747 59.5681 40.0761 174.2827 25 D 4.9632 9.0698 125.7876 52.2877 45.0556 173.8370 26 K 4.8235 8.8149 126.0857 55.2698 33.0970 175.5113 27 I 4.8576 8.6004 121.1657 58.9867 40.9708 174.9220 28 D 4.8457 8.4966 122.7950 52.1530 41.1247 177.2924 29 R 3.4265 8.6930 118.5815 59.3469 29.8230 178.0911 30 L 3.9311 7.9099 118.2202 57.9257 41.6224 178.9561 31 E 3.9024 8.4344 119.0333 59.1240 29.6738 178.5495 32 F 3.9332 8.1486 120.5482 61.5863 39.3374 176.4436 33 C 4.0682 8.3504 116.4087 59.7982 39.7355 175.6114 34 E 3.7786 7.7315 119.8963 59.4543 29.2839 178.2813 35 N 4.3698 7.3911 114.2356 54.8052 38.8898 176.8395 36 I 3.8226 6.7817 112.6540 61.6405 39.3909 176.7279 37 D 4.6306 7.2099 122.4939 51.1605 38.0583 173.6130 38 N 4.8198 6.9449 118.2375 51.5418 40.5345 175.4465 39 E 4.0874 8.5900 117.8884 58.9202 29.7099 178.0403 40 D 4.5470 7.9968 116.4472 55.1061 41.6023 176.4737 41 I 3.9575 7.6222 120.1589 61.1019 38.8314 175.3854 42 I 4.3006 8.6527 130.7774 59.7347 38.4087 174.3253 43 N 4.7780 8.8170 127.3448 52.8669 39.4499 174.6073 44 S 5.2637 8.8244 120.2100 57.1547 64.6037 173.5126 45 I 4.1779 7.8985 122.1855 61.1131 37.6930 176.5730 46 G 3.9866 8.7885 114.9664 45.8574 0.0000 173.4630 47 H 4.6809 7.8895 118.4831 55.0229 30.3920 175.4517 48 D 4.3618 8.7577 125.2719 57.4850 41.3011 178.2499 49 S 4.4525 8.1282 115.6407 61.2022 62.6260 176.6292 50 T 3.8572 7.9020 118.4287 66.6363 68.4036 176.3712 51 I 3.8002 7.7557 121.6259 64.6566 37.2164 178.5737 52 Q 4.0488 8.8244 119.0620 58.8310 28.7042 178.3415 53 L 4.1290 7.9687 121.6444 58.3022 42.1118 179.1566 54 I 4.0008 7.9898 112.9543 64.1257 37.3494 177.9375 55 N 4.5434 8.4371 119.5396 55.2427 38.0439 177.4612 56 S 4.1406 8.1479 114.2144 61.4820 62.7598 175.4777 57 L 4.1921 7.8099 119.4941 56.9766 41.5468 177.2169 58 C 4.7802 8.2886 113.3707 55.6273 41.0206 173.8165 59 G 3.8990 7.6939 107.3188 46.6769 0.0000 173.9020 60 T 4.3792 7.6428 109.7766 59.9488 71.3490 173.7382 61 T 4.7009 7.3377 109.0649 59.7791 68.1696 173.0868 62 F 4.7532 9.1108 126.1189 57.2259 40.8924 175.6302 63 Q 4.7705 8.3803 121.2689 53.3315 31.6225 175.6849 64 K 4.1557 8.6272 120.6344 57.7745 33.1882 176.3027 65 N 4.7897 9.0676 124.7966 52.1009 41.2029 173.1597 66 R 4.3517 8.4944 125.2445 56.2330 30.8594 176.4438 67 V 4.4617 8.1105 121.9468 61.2722 35.1527 174.3847 68 E 4.2277 8.8713 127.9807 55.0759 28.6965 175.4129 69 I 4.0501 7.9152 120.4362 59.4802 39.0545 174.9253 70 K 4.6468 8.1138 122.1418 54.5924 34.2322 175.6541 71 L 4.5259 9.0232 126.4342 54.2724 43.2107 176.2290 72 E 4.9864 9.5028 121.9201 53.6891 33.6469 175.5001 73 K 3.8560 8.5311 119.4644 58.5607 32.4036 177.5728 74 E 3.9303 8.6992 120.6676 56.6438 28.6461 174.6824 75 D 5.1356 7.9324 119.1421 53.5401 42.4159 175.4452 76 K 5.0918 8.7965 120.0480 54.5289 35.9483 174.9287 77 L 5.2353 9.1215 125.6088 53.5323 45.4854 174.4557 78 Y 5.1969 9.1047 123.7232 56.2834 40.6687 174.7727 79 V 5.5914 9.4085 123.8838 60.1010 34.6574 174.2584 80 V 4.8412 8.6675 126.9067 60.2340 33.7419 174.7037 81 Q 4.7328 9.0192 122.7775 54.2446 32.6372 174.6509 82 I 4.7030 7.9365 121.3903 60.7780 39.0338 176.0433 *92 L 4.2792 8.5697 121.0073 55.0578 43.7079 177.8375 93 T 3.7547 7.7620 110.6512 63.7967 67.9292 172.4723 94 L 3.9822 8.6152 123.4540 58.2976 41.3838 179.7648 95 E 3.9352 8.0981 116.1323 59.4244 29.7610 178.3453 96 E 4.0820 8.2365 118.6093 59.7524 29.4078 178.7377 97 I 3.7209 7.4532 117.8167 64.5856 37.2222 178.1973 98 L 4.1277 7.6870 118.2273 56.4247 41.7950 178.1695 99 K 3.9843 7.3288 118.0089 56.3690 32.5665 176.7549 *105 K 4.2475 8.4380 122.3300 55.6937 33.8712 176.0760 106 V 4.4964 7.3635 109.9878 59.6798 33.7402 175.5313 107 Q 4.0463 8.4397 121.3203 53.9832 33.5605 174.0638 108 F 5.2179 7.6905 118.8468 55.7685 42.9337 174.0866 109 F 5.4341 9.5792 120.8578 55.6637 43.6871 173.2972 110 E 4.8799 9.5404 122.2563 54.4439 32.3561 174.5353 111 I 4.8627 8.8933 127.8817 59.5260 40.2023 174.4063 112 I 4.5758 8.5041 128.2909 59.3789 39.9155 174.8983 113 V 4.4914 8.4018 127.2436 61.8743 33.2571 175.5556 114 D 4.5018 9.4832 127.1017 54.5448 41.8653 175.4165 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 2 N 8.28 4.78 0.00 2.87 2.77 0.00 0.00 6.86 5.83 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 3 K 9.26 4.57 0.00 1.67 1.27 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.43 7.81 4 V 8.53 4.89 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 1.21 0.00 0.00 0.95 0.00 0.00 5 Y 9.27 5.30 0.00 2.91 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 6 L 9.02 5.38 0.00 1.65 1.37 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 A 9.04 5.10 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 8 N 8.97 4.88 0.00 2.87 2.96 0.00 0.00 6.17 7.26 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 9 A 7.39 4.47 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 10 F 8.63 5.03 0.00 2.87 2.92 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 11 S 7.46 4.28 0.00 3.64 3.41 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 12 I 7.94 3.60 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.91 0.00 0.00 13 N 8.08 4.52 0.00 2.61 2.84 0.00 0.00 7.06 7.73 0.00 0.00 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 M 7.80 4.40 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 15 L 7.69 4.37 0.00 1.90 1.19 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.73 4.32 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 17 K 7.24 4.52 0.00 1.57 1.66 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.31 7.81 18 F 8.19 4.91 0.00 2.97 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 19 P 0.00 4.74 0.00 2.23 2.12 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 20 T 8.19 4.56 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 1.23 0.00 0.00 21 K 8.29 4.73 0.00 1.86 1.76 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.36 7.81 22 V 8.23 4.84 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 0.75 0.00 0.00 0.61 0.00 0.00 23 V 8.77 4.33 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 1.01 0.00 0.00 0.91 0.00 0.00 24 I 8.29 4.97 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.65 0.85 0.00 0.00 25 D 9.07 4.96 0.00 2.75 2.50 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 26 K 8.81 4.82 0.00 1.95 1.70 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.67 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.11 0.63 7.81 27 I 8.60 4.86 2.10 0.00 0.00 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 1.52 1.07 1.15 0.00 0.00 28 D 8.50 4.85 0.00 2.98 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 29 R 8.69 3.43 0.00 2.07 2.01 0.00 3.23 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 30 L 7.91 3.93 0.00 1.73 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.43 3.90 0.00 2.09 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 0.00 2.42 2.37 0.00 32 F 8.15 3.93 0.00 2.91 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 33 C 8.35 4.07 0.00 2.91 3.05 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 34 E 7.73 3.78 0.00 2.11 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 2.26 2.31 0.00 35 N 7.39 4.37 0.00 1.90 2.12 0.00 0.00 7.10 8.80 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 36 I 6.78 3.82 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.45 -0.01 0.00 0.00 37 D 7.21 4.63 0.00 2.70 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 38 N 6.94 4.82 0.00 2.76 2.68 0.00 0.00 6.40 7.66 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 39 E 8.59 4.09 0.00 1.95 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 2.26 2.29 0.00 40 D 8.00 4.55 0.00 2.63 2.67 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 41 I 7.62 3.96 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 1.16 0.00 0.00 42 I 8.65 4.30 1.51 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 1.06 0.00 0.00 43 N 8.82 4.78 0.00 2.74 2.80 0.00 0.00 7.02 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 44 S 8.82 5.26 0.00 4.04 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 45 I 7.90 4.18 1.85 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 1.30 0.62 0.94 0.00 0.00 46 G 8.79 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 0.00 0.00 0.00 0.00 47 H 7.89 4.68 0.00 3.22 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.76 4.36 0.00 2.78 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 49 S 8.13 4.45 0.00 4.11 4.14 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 50 T 7.90 3.86 4.45 0.00 0.00 0.00 0.00 0.00 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 51 I 7.76 3.80 2.08 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 1.73 1.35 1.03 0.00 0.00 52 Q 8.82 4.05 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 53 L 7.97 4.13 0.00 1.95 1.96 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.99 4.00 2.10 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.88 1.18 0.00 0.00 55 N 8.44 4.54 0.00 3.06 2.97 0.00 0.00 6.32 6.85 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 56 S 8.15 4.14 0.00 4.03 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 57 L 7.81 4.19 0.00 1.81 1.77 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.29 4.78 0.00 3.12 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 59 G 7.69 3.90 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 0.00 0.00 0.00 60 T 7.64 4.38 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 1.20 0.00 0.00 61 T 7.34 4.70 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 1.14 0.00 0.00 62 F 9.11 4.75 0.00 3.08 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 63 Q 8.38 4.77 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 64 K 8.63 4.16 0.00 1.89 1.90 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 N 9.07 4.79 0.00 2.82 2.75 0.00 0.00 6.77 7.73 0.00 0.00 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 R 8.49 4.35 0.00 1.75 1.86 0.00 3.22 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 67 V 8.11 4.46 2.16 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 0.81 0.00 0.00 1.09 0.00 0.00 68 E 8.87 4.23 0.00 1.96 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 0.00 2.24 2.26 0.00 69 I 7.92 4.05 0.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.91 0.00 0.00 70 K 8.11 4.65 0.00 1.58 1.72 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.36 7.81 71 L 9.02 4.53 0.00 1.54 1.57 1.02 0.62 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 72 E 9.50 4.99 0.00 1.98 1.81 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 2.19 2.26 0.00 73 K 8.53 3.86 0.00 1.72 1.78 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.47 7.81 74 E 8.70 3.93 0.00 2.17 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 2.21 2.26 0.00 75 D 7.93 5.14 0.00 2.79 2.78 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 76 K 8.80 5.09 0.00 1.73 1.50 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.33 7.81 77 L 9.12 5.24 0.00 1.74 1.41 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 9.10 5.20 0.00 2.97 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 79 V 9.41 5.59 2.35 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 1.52 0.00 0.00 1.12 0.00 0.00 80 V 8.67 4.84 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 0.91 0.00 0.00 0.93 0.00 0.00 81 Q 9.02 4.73 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.47 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 82 I 7.94 4.70 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.89 0.00 0.00 *92 L 8.57 4.28 0.00 1.68 1.79 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.76 3.75 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 1.26 0.00 0.00 94 L 8.62 3.98 0.00 1.69 1.75 0.93 0.91 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 95 E 8.10 3.94 0.00 1.92 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 2.44 0.00 96 E 8.24 4.08 0.00 2.07 2.22 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 2.39 2.50 0.00 97 I 7.45 3.72 2.04 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 1.56 0.78 1.01 0.00 0.00 98 L 7.69 4.13 0.00 1.85 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.33 3.98 0.00 1.84 1.75 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 *105 K 8.44 4.25 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.44 7.81 106 V 7.36 4.50 1.59 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 0.68 0.00 0.00 0.70 0.00 0.00 107 Q 8.44 4.05 0.00 1.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 108 F 7.69 5.22 0.00 3.09 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.58 5.43 0.00 2.96 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 0.00 110 E 9.54 4.88 0.00 2.05 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 1.99 1.60 0.00 111 I 8.89 4.86 1.63 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 0.39 0.00 0.00 112 I 8.50 4.58 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.87 0.00 0.00 113 V 8.40 4.49 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 0.90 0.00 0.00 0.89 0.00 0.00 114 D 9.48 4.50 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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.