NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3793 8.2649 123.5920 51.8700 19.9830 175.7173 3 I 4.0077 8.2121 120.4426 59.6298 38.1942 174.1004 4 D 4.5088 8.4461 125.4763 53.3532 42.7142 176.6367 5 V 2.5786 8.3218 127.2519 64.9225 30.7950 178.2727 6 L 4.6264 7.7542 119.3096 56.6523 41.4758 178.6319 7 D 4.4395 7.8174 118.0060 56.0860 40.7972 178.1262 8 V 3.9805 7.2494 117.6814 63.3471 32.6275 175.9253 9 I 4.3628 7.5631 119.7252 58.3938 40.6136 175.3508 10 S 4.5889 8.2797 120.3859 57.8046 65.1674 174.8557 11 L 4.1594 8.5041 124.3960 58.4817 41.7411 179.4182 12 S 4.1768 8.0437 113.7765 61.3880 62.8345 176.4100 13 L 3.8627 7.6110 122.4716 57.4471 40.7696 179.3013 14 F 3.8043 7.6780 117.2491 60.4667 38.6618 177.9199 15 K 4.1582 8.2904 118.0230 59.5951 31.8690 179.4810 16 Q 3.9807 8.3856 118.5780 58.8111 28.3674 178.2494 17 Q 4.0478 8.1398 120.4380 58.9481 29.0801 178.1348 18 I 4.2633 7.3041 109.0927 59.4271 38.4085 175.0451 19 E 3.7366 7.9176 118.3173 57.7306 27.5176 174.6494 20 F 4.6579 8.3962 120.0781 56.8005 40.4879 174.8119 21 E 4.3446 7.9898 126.7391 56.6889 30.4209 176.3621 22 E 4.1337 6.8144 118.0201 56.1585 30.1113 176.1129 23 D 4.8901 8.5710 118.7978 53.4165 39.9750 176.3293 24 D 4.9323 8.1481 117.8300 53.5480 39.8371 176.4676 25 R 4.7427 7.8471 117.2237 55.9809 31.6393 177.0474 26 D 4.4190 8.3959 121.3133 57.4295 40.6810 178.1046 27 E 3.8494 8.0718 119.3407 59.0471 29.7649 178.4442 28 L 3.6072 7.6992 119.7825 58.1875 42.1862 178.6651 29 I 3.8841 7.9707 120.0982 64.8575 37.0593 178.5173 30 T 3.6890 8.1210 116.7054 66.3807 68.1701 176.3382 31 L 4.0415 7.7341 122.1792 58.4208 42.0381 178.5969 32 Y 4.4077 7.7919 116.3314 61.1862 37.7967 178.5599 33 A 3.7679 8.3167 121.7140 55.2278 18.2682 179.7234 34 Q 4.0028 8.6349 116.6531 58.9599 28.6873 178.8466 35 A 4.0784 8.4383 121.7910 55.2007 18.4536 179.4957 36 A 4.1017 8.5807 119.7028 55.3691 18.2821 179.6542 37 F 4.2665 8.4252 118.0757 61.4804 39.5842 176.4582 38 D 4.4829 8.3367 116.5852 57.4910 41.3535 177.1897 39 Y 4.3792 8.3949 120.1519 61.0115 38.8073 179.3641 40 C 4.3676 8.2406 115.1990 60.3739 27.0209 175.8688 *42 R 4.2048 7.9871 122.0724 56.0713 31.8147 177.8253 43 W 3.9584 8.1583 126.6920 60.5773 30.9383 176.9857 44 C 4.3000 8.7310 116.1612 61.0943 28.2260 173.3053 45 D 4.1097 7.1164 117.7042 55.3690 39.6856 174.7627 46 E 4.0053 6.9564 120.3301 53.5078 29.4160 173.7874 47 P 4.3478 0.0000 0.0000 63.9253 31.8144 177.8620 48 A 3.9854 7.7411 121.9701 54.1427 18.3352 177.8555 49 W 4.8950 7.4192 115.6505 56.1205 27.9023 175.9415 50 K 4.3178 9.5781 124.0342 57.5679 32.5432 177.6718 51 V 4.5704 7.6630 109.6053 58.7156 35.6959 176.0902 52 A 3.9693 8.7715 123.1768 55.6317 18.0565 179.8724 53 A 4.1526 7.8857 116.2068 54.4983 18.6272 178.2738 54 D 4.4500 7.9593 115.3685 56.5668 41.1597 177.1367 55 I 2.7572 7.1556 120.3537 60.1036 37.4664 174.9221 56 P 4.2115 0.0000 0.0000 61.9006 33.2112 177.1509 57 A 3.9256 8.5429 122.2858 55.5472 18.2899 180.2077 58 A 4.0026 7.8838 118.6566 55.1380 18.4581 179.8833 59 V 3.5897 7.6215 116.5170 65.9454 31.6536 178.2321 60 K 4.0481 7.9309 118.0701 59.2591 31.9870 179.3075 61 G 3.6931 8.0892 105.7877 47.9586 0.0000 175.5153 62 A 4.0544 7.9574 123.4070 54.7283 18.3133 179.7983 63 V 3.7523 8.1764 117.0022 66.3169 31.5711 178.2939 64 L 4.2418 8.1762 118.6787 57.8155 41.4224 179.5343 65 L 4.0580 7.9658 118.5965 57.7871 41.3496 179.7693 66 V 3.5766 7.7912 117.2147 65.7347 31.5611 177.4953 67 F 4.2995 8.4564 119.3344 61.4880 39.6006 176.6404 68 A 3.7725 8.4209 120.3387 54.8362 17.9910 179.3232 69 D 4.3193 7.7642 113.4175 55.3188 41.0558 177.7375 *71 F 3.7152 7.9525 120.9975 57.2920 40.8912 175.8167 72 E 3.9754 7.9648 118.5054 57.8978 29.5627 175.9725 73 H 4.6911 7.8498 115.1807 54.0597 29.4323 173.3699 74 R 4.2190 8.2694 122.2525 56.2426 30.8519 176.8595 75 T 4.6187 7.3171 107.9623 59.2876 71.3358 174.9698 76 A 4.0454 8.5000 125.5379 54.3064 18.8174 177.7326 77 Q 4.6551 7.3283 110.8802 54.1331 32.5380 174.5484 78 S 4.7387 8.1054 113.7565 56.3704 66.2682 173.9933 79 E 4.0663 8.7364 118.8944 58.2346 29.8594 177.3372 80 V 4.2723 7.3544 112.5205 58.9067 33.3367 175.3605 81 Q 3.8657 8.5503 125.8609 56.1074 29.4997 175.1732 82 L 4.5494 7.8854 124.1053 53.0686 43.8483 175.2820 83 Y 4.6169 8.0612 119.1882 55.6046 40.2916 175.4320 84 E 3.8909 8.7953 125.4453 56.2344 30.0413 175.5262 85 N 4.5755 8.7533 124.9607 52.5855 39.3479 175.3574 86 A 4.0146 8.6592 128.3179 54.7891 18.2169 178.5589 87 A 3.9296 8.1099 118.9028 55.3942 18.3870 179.3975 88 A 4.0398 7.4385 117.7233 55.4357 18.6226 179.1812 89 E 3.7384 7.9310 115.7853 58.6215 31.1260 178.2149 90 R 4.2269 7.6754 119.3329 56.3905 27.8189 176.3901 *93 F 5.2030 8.0771 123.7747 58.1960 41.3456 176.6198 94 I 4.0033 7.6541 109.3152 62.7587 37.2974 175.8214 95 H 5.0492 8.0201 116.5163 55.4595 30.2084 173.1043 96 R 4.1923 7.8960 120.5484 56.0571 30.4885 176.0009 97 N 4.3373 8.6354 122.6923 53.7983 38.8327 174.5082 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 A 8.26 4.38 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 3 I 8.21 4.01 2.27 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 1.00 0.00 0.00 4 D 8.45 4.51 0.00 2.66 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 5 V 8.32 2.58 1.64 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 0.81 0.00 0.00 0.93 0.00 0.00 6 L 7.75 4.63 0.00 1.71 1.76 0.89 1.21 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 7 D 7.82 4.44 0.00 2.75 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 8 V 7.25 3.98 1.99 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 0.87 0.00 0.00 0.79 0.00 0.00 9 I 7.56 4.36 1.33 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.87 -0.20 0.00 0.00 10 S 8.28 4.59 0.00 4.02 3.93 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 11 L 8.50 4.16 0.00 1.81 1.74 0.90 0.82 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 12 S 8.04 4.18 0.00 4.08 4.11 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 13 L 7.61 3.86 0.00 1.54 1.47 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.68 3.80 0.00 2.97 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 0.00 0.00 0.00 15 K 8.29 4.16 0.00 2.05 2.17 0.00 1.96 0.00 0.00 1.91 0.00 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.72 7.81 16 Q 8.39 3.98 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 17 Q 8.14 4.05 0.00 2.10 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 18 I 7.30 4.26 1.53 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.88 0.80 0.00 0.00 19 E 7.92 3.74 0.00 2.16 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 0.00 2.28 2.38 0.00 20 F 8.40 4.66 0.00 2.70 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 21 E 7.99 4.34 0.00 1.82 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 2.18 2.23 0.00 22 E 6.81 4.13 0.00 1.30 2.09 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 2.21 2.24 0.00 23 D 8.57 4.89 0.00 2.79 2.77 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 24 D 8.15 4.93 0.00 2.85 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 25 R 7.85 4.74 0.00 1.90 1.89 0.00 3.32 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 26 D 8.40 4.42 0.00 2.70 2.73 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 0.00 0.00 0.00 0.00 27 E 8.07 3.85 0.00 2.01 1.90 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 2.31 2.32 0.00 28 L 7.70 3.61 0.00 1.64 1.63 0.55 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.97 3.88 1.97 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 1.63 0.52 1.05 0.00 0.00 30 T 8.12 3.69 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 1.15 0.00 0.00 31 L 7.73 4.04 0.00 1.74 1.59 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.79 4.41 0.00 3.39 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 33 A 8.32 3.77 0.23 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 34 Q 8.63 4.00 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 35 A 8.44 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.58 4.10 1.64 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 0.00 0.00 37 F 8.43 4.27 0.00 3.16 3.35 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 0.00 0.00 0.00 0.00 38 D 8.34 4.48 0.00 2.91 2.97 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 39 Y 8.39 4.38 0.00 3.22 3.22 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 40 C 8.24 4.37 0.00 3.07 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 *42 R 7.99 4.20 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 43 W 8.16 3.96 0.00 2.88 3.18 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 0.00 0.00 0.00 0.00 44 C 8.73 4.30 0.00 3.22 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 45 D 7.12 4.11 0.00 2.96 2.46 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 0.00 0.00 0.00 0.00 46 E 6.96 4.01 0.00 1.16 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 1.47 1.47 0.00 47 P 0.00 4.35 0.00 2.15 2.07 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 48 A 7.74 3.99 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 49 W 7.42 4.90 0.00 3.49 3.06 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 50 K 9.58 4.32 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.60 7.81 51 V 7.66 4.57 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 1.01 0.00 0.00 52 A 8.77 3.97 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 53 A 7.89 4.15 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 54 D 7.96 4.45 0.00 2.98 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 55 I 7.16 2.76 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.64 0.00 0.00 56 P 0.00 4.21 0.00 1.73 1.68 0.00 2.37 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 57 A 8.54 3.93 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 58 A 7.88 4.00 1.41 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 59 V 7.62 3.59 1.89 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 1.12 0.00 0.00 0.88 0.00 0.00 60 K 7.93 4.05 0.00 1.96 1.76 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 61 G 8.09 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 0.00 0.00 0.00 62 A 7.96 4.05 1.41 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 63 V 8.18 3.75 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 1.25 0.00 0.00 64 L 8.18 4.24 0.00 1.94 1.77 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.97 4.06 0.00 1.94 1.75 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.79 3.58 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 0.75 0.00 0.00 1.00 0.00 0.00 67 F 8.46 4.30 0.00 3.21 3.60 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 68 A 8.42 3.77 1.45 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 0.00 0.00 69 D 7.76 4.32 0.00 2.88 2.76 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 *71 F 7.95 3.72 0.00 2.35 2.80 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 0.00 0.00 0.00 0.00 72 E 7.96 3.98 0.00 1.55 1.71 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 2.54 2.37 0.00 73 H 7.85 4.69 0.00 3.06 3.12 0.00 5.66 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 74 R 8.27 4.22 0.00 1.71 1.89 0.00 3.21 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 75 T 7.32 4.62 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 1.18 0.00 0.00 76 A 8.50 4.05 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 77 Q 7.33 4.66 0.00 2.04 1.92 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 2.25 2.23 0.00 78 S 8.11 4.74 0.00 3.86 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 79 E 8.74 4.07 0.00 2.08 2.10 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 2.25 2.26 0.00 80 V 7.35 4.27 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 0.71 0.00 0.00 0.91 0.00 0.00 81 Q 8.55 3.87 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 82 L 7.89 4.55 0.00 1.47 1.39 0.72 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.06 4.62 0.00 2.95 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 84 E 8.80 3.89 0.00 1.94 1.90 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 2.30 2.30 0.00 85 N 8.75 4.58 0.00 2.78 2.70 0.00 0.00 7.09 8.15 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 86 A 8.66 4.01 1.31 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 0.00 0.00 0.00 87 A 8.11 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.04 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 89 E 7.93 3.74 0.00 1.89 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 2.08 2.37 0.00 90 R 7.68 4.23 0.00 1.94 1.90 0.00 3.19 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 *93 F 8.08 5.20 0.00 3.44 3.35 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 0.00 0.00 0.00 0.00 94 I 7.65 4.00 1.87 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 1.40 0.82 1.09 0.00 0.00 95 H 8.02 5.05 0.00 3.37 3.79 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.90 4.19 0.00 1.88 1.59 0.00 2.55 0.00 0.00 2.75 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.00 97 N 8.64 4.34 0.00 2.55 2.73 0.00 0.00 7.04 7.29 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 * Residues marked with a * may have inaccurate shift predictions.