NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4064 8.3349 115.5589 57.4636 64.6726 173.3707 3 F 4.2668 8.0698 118.4954 54.7003 41.5405 172.3534 4 R 4.9175 8.4626 123.8651 54.8287 32.5559 176.1058 5 F 4.9339 8.5970 126.0791 56.9668 40.9514 175.1175 6 G 3.8796 8.1441 118.6232 46.4718 0.0000 171.8562 7 Q 4.5648 8.4762 123.1886 55.3990 29.1965 174.5266 8 H 5.0748 7.5448 112.1065 53.5794 31.3342 172.2380 9 L 4.9162 8.4851 121.3053 54.2539 42.9097 175.9161 10 I 4.5285 8.9863 124.3128 59.5723 39.4655 175.4325 11 K 4.4212 8.6145 126.3911 55.3936 33.1005 176.5354 12 P 4.3516 0.0000 0.0000 65.3008 31.5353 178.5098 13 S 4.1976 8.1482 113.6291 60.5391 63.3369 175.6103 14 V 4.2386 7.8280 113.2189 60.8621 31.8923 174.9248 15 V 4.3965 7.3242 121.1275 61.2066 32.0627 175.3625 16 F 4.8470 7.7156 121.3320 56.4150 38.8171 175.3172 17 L 4.2002 6.6432 121.5806 54.0868 44.6312 173.2296 18 K 4.9156 8.3815 125.7880 54.9770 34.4811 175.0276 19 T 4.8169 9.0451 116.6535 59.5083 71.5027 174.2664 20 E 4.2571 8.8377 119.5439 59.1745 29.5966 177.7522 21 L 4.9075 7.7083 115.9385 54.0817 44.4876 176.2178 22 S 5.4158 8.5863 114.5964 57.0835 67.9775 172.5061 23 F 5.1503 8.7286 114.0003 55.8321 41.4582 173.1057 24 A 4.7008 8.5211 121.7515 49.8178 22.0378 175.1548 25 L 5.0189 8.1766 120.5249 53.9988 44.4414 176.1708 26 V 4.5007 8.3480 113.2018 60.7281 33.0723 175.5708 27 N 4.6882 8.2928 119.4612 52.1001 39.4867 175.7251 28 R 3.8895 8.5443 121.7163 58.7651 30.7243 176.0895 29 K 4.8525 7.4625 115.8091 53.2935 31.0879 173.0606 30 P 4.3681 0.0000 0.0000 62.4263 32.2111 179.1981 31 V 3.8891 8.5866 115.2339 63.9397 32.0654 176.4726 32 V 4.4759 7.1510 109.8619 58.7459 35.7128 172.2472 33 P 4.1360 0.0000 0.0000 64.3320 31.4411 177.1249 34 G 2.5719 7.9325 110.4164 44.7243 0.0000 172.4133 35 H 4.4316 7.5971 120.0025 56.4623 30.1731 174.7745 36 V 4.5858 8.6941 118.6088 59.4530 36.0087 174.4841 37 L 5.1686 8.4623 120.3682 53.0019 45.5584 176.2116 38 V 4.4749 8.1632 121.1312 61.3079 34.4857 174.1829 39 C 5.1505 8.2976 124.5178 57.0158 32.7506 171.9944 40 P 4.9036 0.0000 0.0000 62.3651 31.9403 176.6133 41 L 4.4458 8.9634 121.6994 57.9229 41.7663 178.2542 42 R 4.1091 7.9311 119.0915 55.2955 30.3407 175.0350 43 P 4.1864 0.0000 0.0000 62.0828 29.9983 175.4528 44 V 4.3124 7.4313 119.7060 60.2690 34.0020 176.9845 45 E 4.0684 8.7518 123.5607 58.5125 30.0818 177.0725 46 R 4.9146 7.4320 115.2243 53.7671 33.4508 176.4960 47 F 4.4861 9.2547 123.2287 61.7738 39.4592 177.2876 48 H 4.1901 8.0318 114.3241 57.8968 28.4825 175.9526 49 D 4.4985 7.7240 119.2707 55.9615 40.9608 176.7743 50 L 4.3965 7.3087 118.8410 54.3613 42.5098 177.5308 51 R 4.3394 8.9229 121.0652 54.8607 32.5074 176.1001 52 P 4.2110 0.0000 0.0000 66.0302 31.2324 178.2619 53 D 4.3324 8.0894 116.0656 57.7308 41.1538 178.2022 54 E 4.0560 8.1385 118.3720 59.1708 29.4953 179.5399 55 V 3.8100 8.0845 118.2696 65.9314 31.5966 177.8869 56 A 4.0411 8.0931 120.4523 55.3192 18.2720 178.9792 57 D 4.2834 8.1162 116.4902 57.4097 41.2787 177.9911 58 L 3.8802 8.1958 122.4683 57.6779 42.1883 178.9296 59 F 4.2218 8.3147 116.7322 59.7291 39.0955 178.0904 60 Q 4.1044 8.5696 118.7165 59.0925 28.4255 178.5688 61 T 3.9120 8.1196 116.9164 66.9646 68.4886 176.8126 62 T 3.9107 7.8475 117.6889 66.6449 68.5328 176.4876 63 Q 4.0504 8.1039 121.1775 59.2428 28.9719 178.4645 64 R 4.0864 8.0352 118.7893 59.3023 30.0881 179.2619 65 V 4.2073 8.5164 118.6676 66.0411 31.5674 178.3015 66 G 3.7682 8.5114 105.5523 48.2684 0.0000 175.7357 67 T 3.9279 7.9681 117.9143 66.2212 68.4141 177.0002 68 V 3.1927 7.4588 120.0884 66.1027 31.5576 178.6824 69 V 3.8565 8.1253 112.5069 64.2458 31.2794 178.2501 70 E 3.9098 8.1789 119.4106 58.8791 29.3026 178.8273 71 K 3.7986 7.5538 119.8777 59.6839 32.1478 178.3283 72 H 3.7789 7.9006 117.9025 59.0564 29.7369 175.9410 73 F 4.4958 8.1569 115.0155 56.9668 38.9668 175.3545 74 H 3.9547 7.4840 116.3440 56.8574 26.1552 174.6028 75 G 4.0590 8.0867 107.6589 44.8679 0.0000 173.5982 76 T 4.6317 8.7476 107.4232 61.4786 70.1092 173.4229 77 S 4.7642 7.6399 117.3154 58.2472 67.8562 172.5082 78 L 5.0218 8.3000 118.8781 53.8268 45.7932 176.0770 79 T 4.6424 8.5258 118.8582 61.8040 71.1775 173.0833 80 F 5.2489 8.9510 124.6927 56.1645 41.7972 174.9401 81 S 4.3263 8.7654 116.1596 57.8329 65.9910 172.6427 *83 Q 4.2810 8.6227 117.0706 56.3559 28.2617 173.9961 84 D 4.5091 8.1217 122.5408 52.2637 40.1908 175.1189 85 G 4.1568 8.5738 111.5080 42.6832 0.0000 171.0464 86 P 4.2321 0.0000 0.0000 65.6218 31.3351 178.3838 87 E 4.2056 8.1565 113.7512 57.1143 29.7425 176.8977 88 A 4.3283 7.7143 121.1938 52.2097 19.8793 177.5017 89 G 3.9236 7.6484 101.3098 45.0557 0.0000 174.1537 90 Q 4.0503 7.9435 121.6294 57.0525 29.5728 175.7758 91 T 4.4227 8.7453 120.3853 64.5358 70.5303 174.9129 92 V 4.2047 7.4822 119.0758 59.8551 33.4299 176.9922 93 K 4.3178 8.1899 124.4233 54.9682 30.3411 175.8536 94 H 4.9456 7.4189 117.4794 54.4936 33.3420 173.2065 95 V 4.0754 8.4117 121.3099 62.0969 31.9350 175.2500 96 H 4.9029 8.4373 117.9394 54.7353 31.4516 172.6917 97 V 4.4471 8.6250 120.6575 61.6767 33.8644 174.0897 98 H 5.1301 9.4526 125.2666 54.7235 30.7420 174.2140 99 V 4.3886 8.7280 123.3616 61.0401 33.9323 174.2322 100 L 4.8975 8.2358 128.3215 52.0677 44.3957 174.6152 101 P 4.6988 0.0000 0.0000 62.6146 32.2210 176.1940 102 R 5.0486 9.1124 122.0642 54.5293 34.2888 174.5706 103 K 4.9121 8.5558 118.9794 55.1867 36.8583 175.2151 104 A 4.1350 8.4907 124.0778 53.5458 18.3238 178.1884 105 G 3.9734 9.0105 110.6879 45.5953 0.0000 174.8969 106 D 3.9864 7.9786 122.3094 54.7759 39.7555 179.1090 *107 F 3.7550 8.0660 122.9824 56.5374 37.7018 179.3576 *108 H 4.0342 8.2544 119.4629 55.8141 25.9233 177.6585 *125 F 4.1311 7.8800 123.8900 56.7926 38.6353 170.8000 126 P 3.8566 0.0000 0.0000 59.9347 36.5183 176.4214 127 A 4.2087 8.6799 119.9888 52.2080 13.9748 179.0277 128 S 4.6815 9.2260 115.1471 58.8703 63.5272 173.8073 129 W 4.5651 8.2883 130.8656 57.5890 30.8812 174.9288 130 R 4.2103 6.7863 120.5400 54.2777 32.0888 174.3070 131 S 3.9029 7.7899 114.5756 57.7530 63.5536 174.0530 132 E 3.9286 8.6215 121.1775 59.1383 29.8615 177.6333 133 E 4.0344 8.1361 119.3874 59.1622 29.9826 178.4256 134 E 4.2071 7.9891 117.2317 56.4635 29.2480 178.0509 *136 A 4.6743 8.3691 121.4838 51.7731 20.8806 179.8847 137 A 3.9533 8.2010 117.7781 55.3035 18.4400 179.3910 138 E 3.8625 8.4435 117.9333 59.5357 29.7480 178.9577 139 A 4.0517 8.0327 119.9748 55.0061 18.2415 179.3209 140 A 4.0072 7.8197 118.4272 55.1714 18.2852 179.4207 141 A 4.0283 8.0146 119.4202 55.2033 18.5146 179.8958 142 L 4.0801 7.8123 117.6389 57.8309 41.6088 179.7673 143 R 4.3510 8.2950 117.9324 58.9743 29.5004 179.1412 144 V 3.6222 7.5464 117.2953 65.8023 31.2481 177.0406 145 Y 4.1413 7.8120 114.1758 59.1075 37.7995 176.5997 146 F 4.8668 7.4817 117.2903 57.1831 39.6559 175.5050 147 Q 4.2368 7.7518 123.5718 56.3197 28.5297 175.9671 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 S 8.33 4.41 0.00 3.93 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 3 F 8.07 4.27 0.00 2.76 1.87 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 4 R 8.46 4.92 0.00 1.76 1.87 0.00 3.22 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 5 F 8.60 4.93 0.00 3.20 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 6 G 8.14 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 0.00 0.00 0.00 7 Q 8.48 4.56 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 8 H 7.54 5.07 0.00 3.33 3.40 0.00 5.25 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.49 4.92 0.00 1.60 1.67 0.94 0.83 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 10 I 8.99 4.53 1.96 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 1.45 1.30 0.89 0.00 0.00 11 K 8.61 4.42 0.00 1.72 1.74 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.46 7.81 12 P 0.00 4.35 0.00 2.29 2.55 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 13 S 8.15 4.20 0.00 4.03 4.18 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 14 V 7.83 4.24 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 0.71 0.00 0.00 0.94 0.00 0.00 15 V 7.32 4.40 1.74 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 0.14 0.00 0.00 0.45 0.00 0.00 16 F 7.72 4.85 0.00 3.18 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 17 L 6.64 4.20 0.00 0.97 0.83 0.59 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.38 4.92 0.00 1.83 1.67 0.00 2.08 0.00 0.00 1.86 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.60 7.81 19 T 9.05 4.82 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 1.19 0.00 0.00 20 E 8.84 4.26 0.00 2.00 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 0.00 2.33 2.30 0.00 21 L 7.71 4.91 0.00 1.94 1.67 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.59 5.42 0.00 3.68 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 23 F 8.73 5.15 0.00 2.86 3.03 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 24 A 8.52 4.70 0.35 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 0.00 0.00 25 L 8.18 5.02 0.00 1.54 1.55 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.35 4.50 2.21 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 0.84 0.00 0.00 0.92 0.00 0.00 27 N 8.29 4.69 0.00 2.44 2.62 0.00 0.00 6.90 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 28 R 8.54 3.89 0.00 1.78 1.89 0.00 3.06 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.39 0.00 29 K 7.46 4.85 0.00 1.77 1.74 0.00 1.90 0.00 0.00 1.86 0.00 0.00 3.48 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.47 7.81 30 P 0.00 4.37 0.00 2.34 2.06 0.00 3.88 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 2.01 1.89 0.00 31 V 8.59 3.89 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 0.73 0.00 0.00 0.79 0.00 0.00 32 V 7.15 4.48 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 33 P 0.00 4.14 0.00 1.96 1.96 0.00 3.63 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 2.01 2.05 0.00 34 G 7.93 2.57 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 0.00 35 H 7.60 4.43 0.00 3.12 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.69 4.59 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 0.73 0.00 0.00 1.08 0.00 0.00 37 L 8.46 5.17 0.00 1.18 1.18 0.47 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.16 4.47 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 0.83 0.00 0.00 0.83 0.00 0.00 39 C 8.30 5.15 0.00 2.46 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 40 P 0.00 4.90 0.00 2.26 2.11 0.00 4.10 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 2.11 2.07 0.00 41 L 8.96 4.45 0.00 1.73 1.84 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.93 4.11 0.00 1.81 1.96 0.00 3.24 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 43 P 0.00 4.19 0.00 2.23 2.20 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 44 V 7.43 4.31 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 0.72 0.00 0.00 1.00 0.00 0.00 45 E 8.75 4.07 0.00 1.91 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 2.29 2.32 0.00 46 R 7.43 4.91 0.00 1.61 1.69 0.00 3.38 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 47 F 9.25 4.49 0.00 3.03 3.23 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 48 H 8.03 4.19 0.00 3.24 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.72 4.50 0.00 2.81 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 50 L 7.31 4.40 0.00 1.60 1.61 1.15 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.92 4.34 0.00 1.84 1.83 0.00 3.15 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 52 P 0.00 4.21 0.00 2.15 2.11 0.00 3.59 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 2.10 2.14 0.00 53 D 8.09 4.33 0.00 2.79 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 54 E 8.14 4.06 0.00 2.23 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 2.44 2.39 0.00 55 V 8.08 3.81 2.28 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 1.19 0.00 0.00 0.87 0.00 0.00 56 A 8.09 4.04 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 0.00 0.00 57 D 8.12 4.28 0.00 2.87 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 58 L 8.20 3.88 0.00 1.90 1.91 0.69 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.31 4.22 0.00 3.16 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 60 Q 8.57 4.10 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 61 T 8.12 3.91 4.35 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 1.09 0.00 0.00 62 T 7.85 3.91 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 1.40 0.00 0.00 63 Q 8.10 4.05 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 64 R 8.04 4.09 0.00 2.31 2.34 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 65 V 8.52 4.21 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 1.36 0.00 0.00 1.01 0.00 0.00 66 G 8.51 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 67 T 7.97 3.93 4.43 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 1.20 0.00 0.00 68 V 7.46 3.19 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 0.48 0.00 0.00 0.35 0.00 0.00 69 V 8.13 3.86 2.19 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 0.76 0.00 0.00 1.00 0.00 0.00 70 E 8.18 3.91 0.00 2.19 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 0.00 2.30 2.31 0.00 71 K 7.55 3.80 0.00 1.89 1.60 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.39 7.81 72 H 7.90 3.78 0.00 2.29 2.74 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.16 4.50 0.00 3.09 2.98 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 0.00 0.00 0.00 74 H 7.48 3.95 0.00 3.25 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.09 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 76 T 8.75 4.63 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 77 S 7.64 4.76 0.00 3.75 3.79 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 78 L 8.30 5.02 0.00 1.52 0.96 1.14 0.64 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 79 T 8.53 4.64 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 1.19 0.00 0.00 80 F 8.95 5.25 0.00 2.89 3.01 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 0.00 0.00 0.00 0.00 81 S 8.77 4.33 0.00 3.89 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 *83 Q 8.62 4.28 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 84 D 8.12 4.51 0.00 2.63 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 85 G 8.57 4.16 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 0.00 0.00 0.00 86 P 0.00 4.23 0.00 2.20 2.13 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 87 E 8.16 4.21 0.00 1.95 2.00 0.00 0.00 0.00 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 2.37 0.00 88 A 7.71 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.65 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 90 Q 7.94 4.05 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 91 T 8.75 4.42 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 1.24 0.00 0.00 92 V 7.48 4.20 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 0.57 0.00 0.00 0.14 0.00 0.00 93 K 8.19 4.32 0.00 1.72 1.79 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.39 7.81 94 H 7.42 4.95 0.00 2.86 2.87 0.00 5.75 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 95 V 8.41 4.08 2.19 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 0.88 0.00 0.00 1.05 0.00 0.00 96 H 8.44 4.90 0.00 3.12 3.31 0.00 5.50 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.63 4.45 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 1.07 0.00 0.00 0.53 0.00 0.00 98 H 9.45 5.13 0.00 3.07 3.19 0.00 5.61 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 99 V 8.73 4.39 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 0.68 0.00 0.00 0.99 0.00 0.00 100 L 8.24 4.90 0.00 1.49 1.39 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.70 0.00 1.88 1.97 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 102 R 9.11 5.05 0.00 1.60 1.75 0.00 3.20 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 103 K 8.56 4.91 0.00 1.77 1.87 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.39 7.81 104 A 8.49 4.14 1.26 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 0.00 0.00 0.00 105 G 9.01 3.97 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 0.00 0.00 0.00 106 D 7.98 3.99 0.00 2.82 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 *107 F 8.07 3.76 0.00 2.33 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 0.00 0.00 0.00 0.00 *108 H 8.25 4.03 0.00 2.99 3.32 0.00 7.20 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 F 7.88 4.13 0.00 2.32 2.19 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 0.00 126 P 0.00 3.86 0.00 2.18 2.11 0.00 3.45 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 127 A 8.68 4.21 1.26 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 0.00 0.00 0.00 128 S 9.23 4.68 0.00 3.90 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 0.00 129 W 8.29 4.57 0.00 3.42 3.11 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 0.00 130 R 6.79 4.21 0.00 1.54 1.66 0.00 2.98 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.40 0.00 131 S 7.79 3.90 0.00 3.83 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 0.00 132 E 8.62 3.93 0.00 1.92 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 2.26 2.26 0.00 133 E 8.14 4.03 0.00 2.03 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 2.36 2.29 0.00 134 E 7.99 4.21 0.00 1.98 1.84 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 2.26 2.23 0.00 *136 A 8.37 4.67 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 0.00 137 A 8.20 3.95 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 0.00 138 E 8.44 3.86 0.00 2.15 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 2.40 2.53 0.00 139 A 8.03 4.05 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 0.00 140 A 7.82 4.01 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 0.00 141 A 8.01 4.03 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 0.00 142 L 7.81 4.08 0.00 1.50 1.22 0.19 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.30 4.35 0.00 2.12 2.09 0.00 3.18 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 144 V 7.55 3.62 1.91 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 0.75 0.00 0.00 0.89 0.00 0.00 145 Y 7.81 4.14 0.00 2.62 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 0.00 146 F 7.48 4.87 0.00 3.09 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 0.00 147 Q 7.75 4.24 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.