NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 T 4.2695 8.2745 112.9196 60.6223 70.3904 173.4314 27 R 4.4513 8.1480 118.9169 56.0420 32.9138 170.5329 28 E 5.0609 9.2572 124.8397 53.8423 33.9890 175.3645 29 C 5.0465 9.8789 117.9540 55.0912 45.6320 173.3670 30 I 4.7264 8.3737 121.7863 61.6747 37.2964 175.1640 31 Y 4.9639 8.7641 128.0201 56.1549 41.3451 173.5476 32 Y 4.8469 7.6062 126.2334 56.1119 43.0283 173.0543 33 N 4.9701 8.1856 124.8480 51.8091 40.9202 173.9197 34 A 4.2318 9.0725 129.5145 53.6339 19.4442 177.2659 35 N 4.7900 8.1409 113.7456 53.0587 39.8571 176.7624 36 W 4.3252 8.4590 116.8916 59.3950 28.0283 176.6411 37 E 3.3954 6.5183 118.5906 58.9391 28.5974 179.1908 38 L 3.9101 7.3804 116.8937 57.8796 41.9805 178.9100 39 E 4.2025 7.6847 114.2251 55.7184 30.6118 177.4859 40 R 3.7113 7.5097 115.4194 57.1503 27.6896 174.6261 41 T 4.7671 8.5053 112.2194 60.0477 71.3394 172.9823 42 N 4.6187 8.5386 121.8008 53.3704 39.2994 175.1997 43 Q 3.8556 8.0194 121.0833 58.7079 30.1243 175.3538 44 S 5.6440 7.4684 110.1017 57.8708 65.4561 173.6603 *46 L 4.5840 8.3538 126.5767 55.0911 42.3591 175.1745 47 E 4.7206 10.1561 130.1428 55.0613 32.5388 175.0980 48 R 4.7180 8.3796 126.4774 55.3002 31.0232 175.1091 49 C 4.6001 9.0949 123.9855 55.5873 40.6443 173.9108 50 E 4.1084 8.9727 122.9611 56.0286 29.9337 176.5710 51 G 3.8246 8.5847 113.0214 44.3816 0.0000 173.2999 52 E 4.1662 8.7787 123.2445 54.9654 29.3226 173.1603 53 Q 3.2472 9.3656 129.8139 57.7176 26.4575 176.0087 54 D 4.4561 7.8481 114.4853 53.8389 37.0291 174.7214 55 K 4.7955 7.5089 119.6928 53.9079 36.6027 176.8555 56 R 4.1913 8.5265 121.3087 57.1529 30.8134 176.0408 57 L 4.7780 8.4248 120.8195 53.4935 45.1345 175.3112 58 H 5.2451 8.9902 118.6155 54.7164 34.0967 171.2191 59 C 5.8162 9.3799 115.1113 55.9227 43.2654 173.1223 60 Y 5.1464 9.2432 118.6458 54.4848 41.9961 173.7925 61 A 4.7331 7.7770 118.3350 50.9463 22.8535 175.5410 62 S 5.1638 9.4168 116.3284 55.8165 66.9982 173.5700 63 W 5.4776 7.5311 117.3097 56.3152 31.0016 172.6084 64 R 4.7245 8.9964 117.2306 55.0893 34.0408 174.7656 65 N 4.8631 8.5444 124.2736 52.6275 38.4543 174.6896 66 S 4.3504 8.8389 121.1699 60.9399 63.2175 176.6165 67 S 4.6834 8.3128 114.0092 57.8748 64.5741 177.0912 68 G 5.0370 7.1660 115.1087 45.6134 0.0000 172.1447 69 T 4.6667 7.2535 109.4108 59.4897 72.2152 172.4308 70 I 4.8045 8.5718 128.1132 60.9818 38.5844 175.3281 71 E 4.7487 9.0645 126.2936 54.4818 31.9590 172.3830 72 L 4.1102 8.6290 124.8742 54.2813 42.3921 175.1232 73 V 4.4990 8.8628 116.7745 63.3926 33.6710 175.1925 74 K 5.3448 8.7206 116.4405 55.3715 37.7164 174.8239 75 K 4.0507 8.5128 119.6348 54.3883 37.1956 176.8418 76 G 4.2973 6.8728 109.3052 45.4883 0.0000 171.0232 77 C 5.1130 8.7428 117.2800 57.1413 41.8754 173.9174 78 W 5.2940 9.7304 131.4924 55.6598 33.6449 174.5278 79 L 4.3845 8.6540 127.0442 55.0028 42.1606 176.4624 80 D 4.2616 7.7243 120.2032 53.4716 40.8836 175.7375 81 D 4.7728 8.7747 126.3651 52.1424 43.6252 175.5037 82 F 3.7397 9.1586 129.4317 61.3006 39.2951 175.1692 83 N 4.1686 8.9708 116.7775 53.7324 38.8707 174.2312 84 C 4.6743 8.0700 114.3058 58.0169 38.6048 174.2112 85 Y 4.7188 7.1442 117.0436 59.6878 37.8878 176.1534 86 D 4.4268 9.5477 120.9499 55.1148 39.5940 174.0271 87 R 4.3611 7.7107 122.1978 55.6497 29.9931 177.7575 88 Q 4.4991 8.6061 122.0371 55.9566 28.8531 172.3254 89 E 4.7797 7.8151 114.7310 54.9370 32.7350 176.5686 90 C 4.5120 8.8179 124.2811 56.3280 44.4528 172.0356 91 V 5.1047 8.1913 125.6699 60.9268 34.2574 174.4575 92 A 4.5908 9.5751 130.7769 51.8069 19.0166 178.1397 93 T 4.5019 8.5867 112.6855 63.1550 69.9799 175.3807 94 E 3.8914 8.2682 123.7341 57.1791 29.8617 176.6471 95 E 4.3953 8.6410 119.6487 55.9275 31.2229 172.5763 96 N 4.1287 8.6109 120.6463 53.2100 37.3960 171.9142 97 P 4.5422 0.0000 0.0000 61.4802 33.3409 176.1198 98 Q 4.0905 8.4386 117.4499 58.1072 28.8875 176.8641 99 V 4.5574 7.3743 116.7529 61.1618 33.6213 175.0823 100 Y 3.9812 8.6416 125.8479 57.7960 39.3191 174.3783 101 F 5.0110 7.7183 121.8375 57.3542 42.0222 172.0585 102 C 4.8940 7.9681 119.0179 53.7245 45.4061 171.8924 103 C 4.9137 8.2921 119.4500 55.1687 47.1442 171.4787 104 C 5.0613 8.5288 116.8236 54.6023 45.1732 171.9744 105 E 4.9720 9.4180 120.9932 55.2469 32.2050 175.1149 106 G 4.1139 9.5294 114.6036 44.4496 0.0000 172.8402 107 N 4.1800 8.9430 120.7908 55.2862 38.6933 174.3100 108 F 4.0301 8.2351 120.2154 58.5245 37.3320 174.7896 109 C 4.5530 8.2512 114.6357 57.0535 40.0871 173.6070 110 N 4.8060 7.9806 117.7102 52.6707 37.2860 176.2699 111 E 4.1003 7.9600 121.0255 58.2958 29.9503 176.7494 112 R 4.4829 7.1791 114.9648 54.1406 32.4834 174.3805 113 F 5.1507 7.1600 117.4617 56.1838 41.1800 173.2072 114 T 4.6848 8.7718 116.0200 62.6955 73.6031 171.5061 115 H 5.6325 8.9267 121.1459 54.9151 32.4706 172.9566 116 L 4.5152 9.7628 128.5905 52.7533 43.9979 174.7153 117 P 4.1954 0.0000 0.0000 65.1833 31.6398 177.2636 118 E 4.2654 7.7945 117.2055 56.1392 30.6122 177.4440 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 26 T 8.27 4.27 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 1.21 0.00 0.00 27 R 8.15 4.45 0.00 1.52 1.79 0.00 3.15 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 0.00 28 E 9.26 5.06 0.00 1.39 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 29 C 9.88 5.05 0.00 2.82 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 30 I 8.37 4.73 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.97 0.00 0.00 31 Y 8.76 4.96 0.00 3.19 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 32 Y 7.61 4.85 0.00 2.89 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 33 N 8.19 4.97 0.00 2.51 2.68 0.00 0.00 7.16 5.12 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 34 A 9.07 4.23 1.53 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 35 N 8.14 4.79 0.00 2.82 2.90 0.00 0.00 6.97 7.95 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 36 W 8.46 4.33 0.00 4.02 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 37 E 6.52 3.40 0.00 1.16 1.55 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 1.65 1.47 0.00 38 L 7.38 3.91 0.00 1.53 1.68 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.68 4.20 0.00 1.95 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 0.00 2.36 2.70 0.00 40 R 7.51 3.71 0.00 1.95 1.94 0.00 3.14 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 41 T 8.51 4.77 4.37 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 1.53 0.00 0.00 42 N 8.54 4.62 0.00 2.82 2.74 0.00 0.00 6.87 7.69 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 43 Q 8.02 3.86 0.00 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 44 S 7.47 5.64 0.00 4.07 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 *46 L 8.35 4.58 0.00 1.97 1.74 1.25 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 E 10.16 4.72 0.00 1.99 1.85 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 2.20 2.11 0.00 48 R 8.38 4.72 0.00 1.63 1.70 0.00 3.32 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.21 0.00 49 C 9.09 4.60 0.00 2.88 3.08 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 0.00 0.00 0.00 0.00 50 E 8.97 4.11 0.00 2.07 1.95 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 2.27 2.30 0.00 51 G 8.58 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.78 4.17 0.00 2.00 1.80 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 2.20 1.89 0.00 53 Q 9.37 3.25 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 54 D 7.85 4.46 0.00 2.82 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 55 K 7.51 4.80 0.00 1.69 1.71 0.00 2.01 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 56 R 8.53 4.19 0.00 2.14 2.12 0.00 3.76 0.00 0.00 3.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 57 L 8.42 4.78 0.00 1.46 1.53 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.99 5.25 0.00 3.25 3.50 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 9.38 5.82 0.00 2.85 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 60 Y 9.24 5.15 0.00 2.45 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 61 A 7.78 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.42 5.16 0.00 3.94 4.19 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 63 W 7.53 5.48 0.00 3.40 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 64 R 9.00 4.72 0.00 1.82 1.85 0.00 3.12 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 65 N 8.54 4.86 0.00 2.03 2.63 0.00 0.00 6.98 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 66 S 8.84 4.35 0.00 3.62 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 67 S 8.31 4.68 0.00 3.57 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 68 G 7.17 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.25 4.67 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 1.22 0.00 0.00 70 I 8.57 4.80 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.88 0.00 0.00 71 E 9.06 4.75 0.00 1.60 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 2.14 2.13 0.00 72 L 8.63 4.11 0.00 1.30 1.48 -0.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.86 4.50 2.26 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 1.09 0.00 0.00 1.07 0.00 0.00 74 K 8.72 5.34 0.00 2.02 1.74 0.00 1.86 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.61 7.81 75 K 8.51 4.05 0.00 1.60 1.65 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.20 7.81 76 G 6.87 4.30 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 0.00 77 C 8.74 5.11 0.00 3.01 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 78 W 9.73 5.29 0.00 3.61 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 79 L 8.65 4.38 0.00 1.30 1.47 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.72 4.26 0.00 2.77 2.60 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 81 D 8.77 4.77 0.00 3.21 2.60 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 82 F 9.16 3.74 0.00 3.10 3.21 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 0.00 0.00 0.00 0.00 83 N 8.97 4.17 0.00 2.66 2.76 0.00 0.00 7.04 7.71 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 84 C 8.07 4.67 0.00 2.21 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 85 Y 7.14 4.72 0.00 3.05 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 86 D 9.55 4.43 0.00 2.83 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 87 R 7.71 4.36 0.00 1.98 1.86 0.00 3.22 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 88 Q 8.61 4.50 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 89 E 7.82 4.78 0.00 1.80 1.85 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 2.19 2.26 0.00 90 C 8.82 4.51 0.00 3.20 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 91 V 8.19 5.10 2.12 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 0.94 0.00 0.00 0.96 0.00 0.00 92 A 9.58 4.59 1.57 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 0.00 0.00 93 T 8.59 4.50 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 1.22 0.00 0.00 94 E 8.27 3.89 0.00 1.88 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 2.28 2.20 0.00 95 E 8.64 4.40 0.00 1.98 1.72 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 2.18 1.85 0.00 96 N 8.61 4.13 0.00 2.80 2.82 0.00 0.00 7.08 7.69 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 97 P 0.00 4.54 0.00 2.03 1.74 0.00 3.00 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.19 0.00 98 Q 8.44 4.09 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 99 V 7.37 4.56 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 0.83 0.00 0.00 0.93 0.00 0.00 100 Y 8.64 3.98 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.72 5.01 0.00 2.80 2.65 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 0.00 102 C 7.97 4.89 0.00 3.11 3.25 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 0.00 103 C 8.29 4.91 0.00 2.73 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 0.00 104 C 8.53 5.06 0.00 3.18 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 0.00 105 E 9.42 4.97 0.00 2.15 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 0.00 2.30 2.60 0.00 106 G 9.53 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 0.00 0.00 0.00 107 N 8.94 4.18 0.00 2.77 2.80 0.00 0.00 7.25 7.45 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 0.00 108 F 8.24 4.03 0.00 3.35 3.04 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 0.00 0.00 0.00 109 C 8.25 4.55 0.00 3.26 3.31 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 0.00 110 N 7.98 4.81 0.00 2.89 3.05 0.00 0.00 5.89 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 0.00 111 E 7.96 4.10 0.00 1.98 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 0.00 2.27 2.23 0.00 112 R 7.18 4.48 0.00 1.71 1.64 0.00 3.19 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.35 0.00 113 F 7.16 5.15 0.00 2.74 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 0.00 114 T 8.77 4.68 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 1.22 0.00 0.00 115 H 8.93 5.63 0.00 3.42 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.76 4.52 0.00 1.64 1.51 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.20 0.00 2.05 2.09 0.00 3.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 118 E 7.79 4.27 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.