NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.1910 8.1701 115.2402 60.3114 69.6324 173.9539 6 A 4.4433 7.9462 121.1491 50.1889 20.2798 176.1966 7 L 4.3899 7.8276 119.4276 57.2475 41.6874 177.2587 8 G 3.5266 7.9682 106.3111 47.0897 0.0000 175.5845 9 A 3.9310 7.9123 122.3318 54.9828 18.4845 179.1922 10 A 3.9003 7.7483 118.7714 55.2649 18.4558 179.5109 11 L 3.8181 7.9803 118.8937 58.2424 42.3271 178.7952 12 K 3.7713 8.1081 119.6215 59.7685 31.7740 178.6220 13 S 4.0767 8.1164 113.9431 61.5558 63.1092 176.0781 14 A 4.1615 8.0721 123.2933 55.6305 17.9482 180.2512 15 V 3.7120 7.7477 109.0971 64.4276 31.6902 178.4775 16 Q 4.2120 7.8681 116.3753 57.6191 29.1940 176.3992 17 T 4.1730 7.5421 111.9047 61.3451 68.9984 174.5825 *19 S 4.2591 7.6336 116.1044 58.7556 65.8248 173.7030 20 K 3.9044 8.2514 121.8838 59.5720 32.0143 178.5659 21 K 3.9278 7.9917 119.4687 59.4081 31.9273 178.5074 22 K 3.9846 7.8060 118.9374 59.3811 32.1676 178.6663 23 Q 4.1345 7.9172 117.8043 59.2403 29.0427 178.5058 24 T 3.9819 7.8730 110.7924 64.5721 68.6690 176.7133 25 E 4.1023 8.0787 120.1519 56.5075 29.4580 178.9483 *27 I 3.2776 7.8338 121.6644 61.1410 39.3891 178.1226 28 A 3.8635 7.9821 121.8930 55.1417 18.1609 179.3086 29 D 4.3517 8.0164 117.4457 57.7944 40.8441 178.3398 30 H 4.0158 8.1813 117.9971 59.4789 29.8012 176.9694 31 I 3.5847 7.5754 121.1530 64.7710 36.7195 178.2423 32 Y 4.1954 7.8618 116.1888 60.8222 37.6828 178.4879 33 G 3.7331 7.9695 106.1908 46.9344 0.0000 175.2173 34 K 4.1735 8.0062 121.0371 56.6342 32.7725 176.0497 35 Y 4.8525 7.5554 117.9747 56.0639 39.4095 176.0685 36 D 4.4678 8.9992 125.9393 57.6228 40.9429 179.1379 37 V 3.5253 7.9300 112.3146 64.3836 31.5907 178.5657 38 F 3.5962 8.1371 116.9397 60.2581 38.7382 177.6052 39 K 4.2243 8.1351 117.9587 58.9346 32.0001 178.0253 40 R 4.5643 8.1348 115.8515 54.4647 31.3100 176.3641 41 F 3.8037 7.4945 115.9977 58.4404 37.0637 175.7535 42 K 4.4389 7.7527 118.1952 54.8973 33.7698 177.2206 43 P 4.3337 0.0000 0.0000 63.2330 32.3207 175.4369 44 L 5.0176 9.1197 124.4034 53.3116 42.8591 176.6022 45 A 4.1206 8.9373 124.5119 52.2901 19.4422 177.4517 46 L 3.9883 8.5199 121.1257 56.1412 42.1921 177.5284 47 G 3.9119 8.9169 109.4452 46.7666 0.0000 175.4106 48 I 3.7004 7.4168 121.1927 63.4532 37.7560 177.6127 49 D 4.3894 8.0872 119.9866 56.6386 39.1667 178.4728 50 Q 4.0014 8.0400 119.0130 58.7118 28.8002 178.3380 51 D 4.3615 7.7589 119.5945 57.3034 40.8223 178.8708 52 L 3.9499 8.3752 119.8657 57.7887 41.3981 179.6456 53 I 3.6990 7.6770 118.3400 64.4127 37.1536 178.0750 54 A 4.1072 7.8257 120.1190 55.0750 18.2541 179.2062 55 A 4.1944 7.7105 117.8395 53.5513 20.1037 177.7604 56 L 4.9596 8.1563 116.1607 51.5425 41.9325 175.7899 57 P 4.2993 0.0000 0.0000 65.5931 31.4625 178.5903 58 Q 3.9221 7.8651 116.6012 58.2433 28.7763 175.5871 59 Y 4.7064 7.2112 115.6506 56.2281 39.6873 175.3687 60 D 4.3847 8.6890 121.1228 54.3250 42.0456 176.5020 61 A 3.9876 8.8884 129.8468 55.6356 18.2904 178.8548 62 A 3.9614 7.9573 118.8695 55.3885 18.3809 179.9389 63 L 3.9767 7.8629 117.0058 57.6849 41.6618 179.4773 64 I 3.5838 7.9313 119.7340 64.4543 37.1035 178.2473 65 A 3.9782 8.0181 121.4310 55.0155 18.1350 179.6506 66 R 3.8156 7.8631 117.2124 59.6449 30.2263 178.9668 67 V 3.5777 8.0359 118.3745 65.8943 31.5180 177.6953 68 L 3.9938 8.2906 120.2876 58.0726 41.6721 178.8837 69 A 4.0325 7.9552 119.9458 55.1916 18.3111 179.0110 70 N 4.4795 8.3864 115.1195 56.5715 38.6936 177.0721 71 H 4.3805 8.4216 119.5983 59.6511 29.9053 176.7845 72 C 3.8054 7.9616 115.4106 60.6718 28.0651 174.8039 73 R 4.5923 7.3993 116.4865 55.3758 30.3238 177.1808 74 R 4.1964 7.5927 119.7696 55.4421 32.0519 175.2575 75 P 4.2548 0.0000 0.0000 66.2389 31.3507 179.2948 76 R 3.7205 7.5517 115.8593 59.0495 29.7095 178.4619 77 Y 4.1696 7.8509 119.0250 60.6637 38.9189 177.4368 78 L 3.9602 8.2295 120.0373 57.8970 41.6625 179.6703 79 K 3.9071 8.4677 118.4432 59.4217 32.0343 179.2564 80 A 3.9299 7.8666 120.8745 55.0347 18.0552 179.6243 81 L 3.7666 7.6426 116.5145 57.9125 41.7597 179.3141 82 A 4.0983 7.8586 119.6773 55.1510 18.3486 179.3754 83 R 3.9313 8.0477 116.9216 59.1311 30.5804 178.0076 84 G 3.7121 8.3145 106.5766 45.1573 0.0000 171.7584 85 G 3.7717 8.3680 104.9517 43.9000 0.0000 172.7175 86 K 4.3003 8.0755 118.2190 56.6166 32.8644 177.2167 87 R 4.8609 8.3148 121.8460 55.3465 32.6081 175.4362 88 F 5.4249 9.0642 119.1966 55.8764 43.2052 174.9501 89 D 4.9465 8.9588 122.4133 51.9674 41.4116 177.2140 90 L 3.8701 8.5483 117.6906 57.8207 41.5115 178.1405 91 N 4.6852 8.2762 113.3556 52.8217 38.5727 174.2219 92 N 4.4145 8.4342 116.0421 54.8341 37.9505 173.9308 93 R 4.5638 8.1799 114.2501 53.3513 32.4813 176.0573 94 F 4.4736 7.9015 118.9140 58.1493 39.2619 176.3308 95 K 4.3662 8.8753 126.6013 55.5940 33.6028 177.0231 96 G 3.7615 9.7571 114.0980 45.2479 0.0000 168.9951 97 E 4.7821 7.8777 116.3187 55.5104 32.3693 175.6412 98 V 4.1566 8.7697 121.5540 62.3645 31.6070 175.9130 99 T 4.0665 8.7620 119.1868 61.0430 69.7414 173.8393 100 P 4.2014 0.0000 0.0000 65.7990 31.3427 178.6349 101 E 3.9154 8.1077 117.5962 59.1841 29.5966 178.5401 102 E 3.9607 8.1371 118.6378 59.4260 29.5118 179.1018 103 Q 3.9035 8.2756 119.4105 59.0963 29.0033 178.0517 104 A 4.0000 8.2174 121.9767 55.3718 18.1913 179.7440 105 I 3.6792 7.7105 116.9758 64.2762 37.3969 178.2238 106 A 4.1490 8.0371 121.7538 55.3669 18.0471 179.7728 107 Q 4.0146 8.3058 115.5232 58.6516 28.8148 177.8493 108 N 4.5984 7.5365 115.4794 53.1161 39.3974 174.6452 109 H 4.3003 7.9138 122.4503 54.9011 30.8077 174.0929 110 P 4.2293 0.0000 0.0000 65.7697 30.5197 178.6595 111 F 4.5453 8.0083 116.0139 61.0732 38.9240 177.8587 112 V 3.7415 7.9699 116.9871 65.6764 31.1376 177.6414 113 Q 3.9601 7.8256 117.3390 59.3028 28.7355 178.5451 114 Q 4.0890 7.7704 118.4931 59.0154 29.0731 177.9323 115 A 4.1639 7.4728 120.2038 54.5080 18.5779 177.2712 116 L 4.2947 7.7153 120.2745 54.9410 42.2419 176.4191 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 T 8.17 4.19 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 6 A 7.95 4.44 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 7 L 7.83 4.39 0.00 1.90 1.91 0.93 0.37 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 8 G 7.97 3.53 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 0.00 0.00 0.00 9 A 7.91 3.93 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 10 A 7.75 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.82 0.00 1.78 1.66 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.11 3.77 0.00 1.93 1.95 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.62 7.81 13 S 8.12 4.08 0.00 4.01 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 14 A 8.07 4.16 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.75 3.71 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 0.86 0.00 0.00 1.08 0.00 0.00 16 Q 7.87 4.21 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.61 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 17 T 7.54 4.17 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 1.29 0.00 0.00 *19 S 7.63 4.26 0.00 4.10 4.10 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 20 K 8.25 3.90 0.00 1.89 1.84 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.56 7.81 21 K 7.99 3.93 0.00 1.86 1.79 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.50 7.81 22 K 7.81 3.98 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.52 7.81 23 Q 7.92 4.13 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 24 T 7.87 3.98 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 1.26 0.00 0.00 25 E 8.08 4.10 0.00 2.17 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 0.00 2.33 2.52 0.00 *27 I 7.83 3.28 1.57 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 -0.16 0.21 0.59 0.00 0.00 28 A 7.98 3.86 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 29 D 8.02 4.35 0.00 2.77 2.74 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 30 H 8.18 4.02 0.00 3.21 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.58 3.58 1.57 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.30 -0.36 0.00 0.00 32 Y 7.86 4.20 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 3.73 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 0.00 0.00 0.00 34 K 8.01 4.17 0.00 1.58 1.13 0.00 1.60 0.00 0.00 1.06 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.41 1.13 7.81 35 Y 7.56 4.85 0.00 3.34 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 36 D 9.00 4.47 0.00 2.76 2.74 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 37 V 7.93 3.53 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 0.96 0.00 0.00 0.87 0.00 0.00 38 F 8.14 3.60 0.00 3.15 2.59 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 39 K 8.14 4.22 0.00 2.08 2.08 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.59 7.81 40 R 8.13 4.56 0.00 1.87 1.95 0.00 3.35 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 F 7.49 3.80 0.00 3.22 3.19 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 0.00 0.00 0.00 0.00 42 K 7.75 4.44 0.00 1.48 1.50 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.16 1.21 7.81 43 P 0.00 4.33 0.00 2.16 1.94 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 44 L 9.12 5.02 0.00 1.54 1.52 0.25 0.16 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 45 A 8.94 4.12 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 L 8.52 3.99 0.00 1.66 1.63 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.92 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 0.00 0.00 0.00 48 I 7.42 3.70 2.09 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 1.59 1.09 0.93 0.00 0.00 49 D 8.09 4.39 0.00 2.94 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 50 Q 8.04 4.00 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 51 D 7.76 4.36 0.00 2.86 2.68 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 52 L 8.38 3.95 0.00 1.77 1.66 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.68 3.70 2.01 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 1.46 0.60 0.92 0.00 0.00 54 A 7.83 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.71 4.19 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 56 L 8.16 4.96 0.00 1.85 1.70 1.01 0.77 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 57 P 0.00 4.30 0.00 2.12 2.17 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 58 Q 7.87 3.92 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 59 Y 7.21 4.71 0.00 3.00 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 60 D 8.69 4.38 0.00 2.76 2.61 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 0.00 0.00 0.00 0.00 61 A 8.89 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.96 3.96 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 63 L 7.86 3.98 0.00 1.82 1.68 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.93 3.58 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.87 0.00 0.00 65 A 8.02 3.98 1.37 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 0.00 0.00 0.00 66 R 7.86 3.82 0.00 2.07 2.01 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 67 V 8.04 3.58 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 0.79 0.00 0.00 0.90 0.00 0.00 68 L 8.29 3.99 0.00 1.77 1.80 1.03 1.01 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 69 A 7.96 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.39 4.48 0.00 2.96 2.96 0.00 0.00 6.66 7.77 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 71 H 8.42 4.38 0.00 3.37 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 7.96 3.81 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 73 R 7.40 4.59 0.00 2.04 2.20 0.00 3.14 0.00 0.00 3.31 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 74 R 7.59 4.20 0.00 2.24 1.89 0.00 3.35 0.00 0.00 3.51 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 75 P 0.00 4.25 0.00 1.76 1.47 0.00 3.39 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.00 76 R 7.55 3.72 0.00 0.67 1.03 0.00 2.85 0.00 0.00 2.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 77 Y 7.85 4.17 0.00 3.35 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 78 L 8.23 3.96 0.00 1.95 1.75 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.47 3.91 0.00 1.85 1.83 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 80 A 7.87 3.93 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 81 L 7.64 3.77 0.00 1.66 1.66 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.86 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.05 3.93 0.00 1.85 2.16 0.00 3.35 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 84 G 8.31 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 0.00 0.00 0.00 85 G 8.37 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 0.00 0.00 0.00 0.00 86 K 8.08 4.30 0.00 1.08 1.06 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.01 0.56 7.81 87 R 8.31 4.86 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 88 F 9.06 5.42 0.00 2.92 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 89 D 8.96 4.95 0.00 2.75 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 90 L 8.55 3.87 0.00 1.57 1.47 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.28 4.69 0.00 2.86 2.88 0.00 0.00 6.88 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.43 4.41 0.00 2.86 2.95 0.00 0.00 6.99 7.19 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 93 R 8.18 4.56 0.00 2.02 1.74 0.00 3.16 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 94 F 7.90 4.47 0.00 2.92 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 95 K 8.88 4.37 0.00 1.63 1.67 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 96 G 9.76 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 0.00 0.00 0.00 97 E 7.88 4.78 0.00 2.03 1.76 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 2.06 2.11 0.00 98 V 8.77 4.16 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 0.74 0.00 0.00 0.95 0.00 0.00 99 T 8.76 4.07 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 0.00 100 P 0.00 4.20 0.00 2.16 2.13 0.00 3.58 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 2.09 2.12 0.00 101 E 8.11 3.92 0.00 2.07 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 2.37 2.46 0.00 102 E 8.14 3.96 0.00 2.22 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 2.34 2.32 0.00 103 Q 8.28 3.90 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 104 A 8.22 4.00 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 0.00 105 I 7.71 3.68 1.88 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 1.46 0.83 0.92 0.00 0.00 106 A 8.04 4.15 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 0.00 107 Q 8.31 4.01 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 108 N 7.54 4.60 0.00 2.77 2.84 0.00 0.00 6.95 8.02 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 0.00 109 H 7.91 4.30 0.00 3.19 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.23 0.00 1.94 2.02 0.00 2.87 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 1.82 2.03 0.00 111 F 8.01 4.55 0.00 3.10 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 0.00 112 V 7.97 3.74 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 1.09 0.00 0.00 0.99 0.00 0.00 113 Q 7.83 3.96 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 114 Q 7.77 4.09 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 115 A 7.47 4.16 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.72 4.29 0.00 1.63 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.