NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8744 8.3549 109.7361 45.6084 0.0000 173.4149 4 D 4.4784 8.3123 126.1487 52.5549 42.6951 174.7994 5 T 4.5723 8.0752 117.1969 62.6506 70.6628 174.1581 6 T 5.4093 8.5759 116.6307 59.6300 71.5975 173.6119 7 I 4.5421 7.9295 113.4234 60.3274 40.9222 173.1050 8 T 4.9572 8.4585 120.4763 61.9912 70.4505 173.9180 9 V 4.3779 8.7702 126.5874 60.9828 34.2879 174.1130 10 V 4.7371 8.1183 127.6540 61.2749 33.4540 175.4840 11 G 3.9702 7.4072 113.9582 45.8486 0.0000 171.1989 12 N 6.1652 7.4066 115.4912 50.2300 42.7045 174.2888 13 L 4.6267 8.3637 122.3304 54.9962 42.0571 178.0193 14 T 4.0080 8.6249 115.5638 64.8327 69.5033 173.6902 15 A 4.4934 7.4662 122.4772 51.2476 21.4932 174.5690 16 D 4.7349 8.4837 114.7310 53.5954 41.6329 174.6335 17 P 4.4350 0.0000 0.0000 62.8431 32.4599 175.6579 18 E 4.4386 8.9925 125.1351 54.7228 31.0296 174.1414 19 L 5.0160 8.4389 130.1675 53.6958 43.6899 175.2649 20 R 4.9974 8.3241 123.3344 54.6348 33.2839 173.7039 21 F 5.3121 8.6638 115.9621 56.1330 42.8762 175.4147 22 T 4.2607 9.1111 113.9417 60.4358 69.5091 173.4500 23 P 4.3010 0.0000 0.0000 66.0524 30.9588 177.7572 24 S 4.2705 7.4937 111.9273 58.5453 63.3510 174.3276 25 G 4.0690 8.1338 109.1477 45.7943 0.0000 174.5934 26 A 4.0773 7.8621 123.2961 52.6671 18.8467 176.6149 27 A 4.1748 8.3978 124.0995 51.5888 19.9477 177.0347 28 V 4.2190 7.9322 118.4897 61.0484 35.3566 173.8070 29 A 5.8331 8.3190 128.5511 49.4347 22.1098 174.7792 30 N 5.1555 8.1661 117.2188 51.5088 43.2159 173.2672 31 F 4.9557 7.5291 114.7962 56.7919 41.8380 172.4981 32 T 5.2018 8.2992 109.2458 60.1600 71.7566 173.0403 33 V 4.8301 8.9050 123.1035 61.1957 35.0115 174.4609 34 A 4.3983 8.7544 128.2563 50.1700 20.8526 175.5123 35 S 4.8092 8.3968 119.0279 58.5690 63.7334 174.5602 36 T 4.7499 8.3554 116.5907 59.2096 69.9051 172.6318 37 P 4.6691 0.0000 0.0000 62.9862 33.5297 175.8374 38 R 5.7537 8.6336 123.1765 55.4387 31.7486 176.7547 39 M 4.4722 8.6086 124.9815 52.9517 32.8168 173.6861 40 F 3.3031 8.9487 128.2119 60.0419 40.2485 175.1708 41 D 4.1691 7.9974 119.7548 54.1390 36.0223 177.7639 42 R 4.3656 7.7076 121.8998 55.7262 29.3534 179.4903 43 Q 4.4565 10.1545 117.1769 56.7743 32.8643 174.6744 44 S 3.3758 9.9449 121.1496 58.0593 61.3016 168.2436 45 G 4.1075 8.6611 118.1219 44.5175 0.0000 174.4109 46 E 4.3888 8.2424 120.5028 55.0176 29.4505 177.7598 47 W 4.5293 9.6222 121.1376 59.8696 29.8707 177.0218 *48 K 4.6395 9.5035 129.8521 53.9828 34.6995 171.1966 49 D 4.9925 8.6843 116.3114 55.0390 41.8404 177.5235 50 G 4.2520 9.3674 116.2673 45.9859 0.0000 173.0333 *51 E 3.8395 9.0149 121.4602 57.2782 30.0148 173.1541 52 A 4.0956 8.8718 119.7683 50.8937 19.8508 174.8076 53 L 3.4758 7.9042 128.9775 54.3259 40.3040 172.9982 54 F 4.8325 8.7309 123.2384 55.5020 41.0764 174.9141 55 L 4.6836 8.7580 124.8020 52.7199 44.4743 175.9179 56 R 4.7402 8.6373 125.2620 55.8053 31.0831 174.4173 57 C 5.1448 8.7248 122.9335 56.2520 32.5811 172.4667 58 N 5.0173 8.5007 118.5750 50.9482 39.8937 173.0884 59 I 4.8849 8.3672 121.9218 59.0421 42.2474 173.6992 60 W 5.1122 8.3667 124.8363 54.2833 32.9705 177.8789 61 R 3.6938 8.5725 113.1744 55.7584 32.3628 179.7815 62 E 4.1261 8.7529 119.8017 58.3377 29.0611 177.8490 63 A 4.0853 8.0441 120.7809 54.7078 18.6381 179.2477 64 A 4.0273 8.2624 119.5244 55.1406 18.1385 179.7321 65 E 3.9279 7.5621 116.0514 59.6711 29.5601 178.9520 66 N 4.4933 7.8366 116.1567 55.9863 38.5118 177.8125 67 V 3.5211 7.5551 119.4177 65.9460 31.5139 178.0234 68 A 3.9875 7.8603 118.7645 54.2863 18.2256 178.1724 69 E 4.3170 7.5911 115.8502 56.8071 30.2052 176.4872 70 S 4.5929 7.8872 112.5574 58.6662 65.4463 174.0042 71 L 4.7054 7.7872 118.8467 52.9909 43.6367 175.5759 72 T 4.7776 7.6081 110.1400 59.6851 71.4470 173.2326 73 R 4.1267 8.3963 120.5489 57.7230 30.5377 176.7442 74 G 4.0794 8.5755 113.0405 46.7379 0.0000 173.0987 75 S 4.7239 7.1963 110.1474 56.8566 65.9287 174.7936 76 R 4.7917 8.3491 123.2429 55.8199 31.0896 175.5740 77 V 4.9934 8.8514 118.9652 59.6244 36.5175 174.2938 78 I 4.6943 8.5202 122.4146 59.6652 39.9798 175.2347 79 V 4.9589 8.6460 125.3965 61.4367 35.2576 173.9784 80 T 5.0987 8.0479 120.6243 59.6467 71.3050 173.2389 81 G 4.3080 7.8586 112.2138 46.3204 0.0000 171.7290 82 R 5.1865 8.4511 118.0108 54.2716 33.9728 175.2283 83 L 4.8650 8.6436 122.6423 53.9654 42.5711 176.5084 84 K 4.7236 9.0585 123.6686 54.5971 35.6348 174.9876 85 Q 5.0695 8.5211 122.3918 54.5696 31.5722 174.5862 86 R 4.7632 8.6810 124.9286 54.6181 33.5774 175.2406 87 S 5.4666 8.9343 118.0396 56.4487 64.0511 173.4645 88 F 5.0856 9.6091 122.6989 55.6208 40.1544 175.7285 89 E 4.1831 8.6510 117.5558 54.6859 30.4471 176.5073 90 T 3.7482 7.9880 116.8930 61.9255 69.0260 174.7909 91 R 3.8513 8.4773 120.3868 56.9393 27.0007 173.0347 *95 K 3.8234 7.7437 119.8906 56.2115 32.9399 180.9158 *96 R 4.8758 7.9387 132.4002 57.0292 32.6913 172.7796 97 T 5.1556 8.7817 112.9297 61.4693 73.1522 170.6168 98 V 4.4382 8.6056 118.1349 62.3719 35.7144 174.0727 99 V 4.8441 8.2627 123.3044 61.2240 33.7567 174.1928 100 E 4.8836 9.0031 126.0734 54.4915 34.4831 174.5808 101 V 4.6568 8.3831 119.9592 61.1627 34.1344 174.1528 102 E 4.5535 9.0210 130.5995 55.5164 30.3564 175.7639 103 V 3.9484 8.2123 128.0625 63.5376 31.8156 175.0304 104 D 4.7869 9.1699 128.4823 56.0501 41.5965 176.4267 105 E 4.8897 7.6816 115.8725 54.9520 34.2516 173.9073 106 I 5.2009 7.3565 118.3097 61.6597 40.8841 173.3566 107 G 4.2070 8.0217 111.8108 44.5388 0.0000 170.7283 108 P 4.8014 0.0000 0.0000 62.5209 31.9480 175.9676 109 S 4.1769 8.6196 119.9072 57.7413 62.9328 173.4805 110 L 5.2556 8.2488 125.7125 54.4718 41.4163 178.0660 111 R 3.7858 7.4835 119.5964 59.2233 29.8936 177.0424 112 Y 4.8693 7.5190 111.6015 57.5739 39.1287 175.3082 113 A 4.8036 7.6128 122.5299 50.4856 22.4926 175.2187 114 T 4.7959 8.3072 109.1716 59.8560 71.1816 173.8484 115 A 4.5894 8.3051 126.6544 50.9516 22.2135 176.7849 116 K 4.4203 8.4937 121.7418 52.7915 33.0260 176.6292 117 V 4.2536 8.0660 124.5257 60.7642 32.8132 175.0904 118 N 4.9558 8.3379 121.9279 51.4412 41.6218 174.6419 119 K 4.2920 8.6154 122.2201 55.6756 33.5271 176.7908 120 A 4.3176 8.3460 122.4037 52.4390 19.1348 177.1781 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 3 G 8.35 3.87 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 0.00 0.00 0.00 4 D 8.31 4.48 0.00 2.74 2.62 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 0.00 0.00 0.00 5 T 8.08 4.57 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 1.21 0.00 0.00 6 T 8.58 5.41 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 1.23 0.00 0.00 7 I 7.93 4.54 1.87 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 1.35 0.60 0.91 0.00 0.00 8 T 8.46 4.96 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 9 V 8.77 4.38 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 0.93 0.00 0.00 0.93 0.00 0.00 10 V 8.12 4.74 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 nan 0.00 0.00 0.90 0.00 0.00 11 G 7.41 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 12 N 7.41 6.17 0.00 2.67 2.66 0.00 0.00 6.98 6.83 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 13 L 8.36 4.63 0.00 1.64 1.75 0.67 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.62 4.01 4.38 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 1.49 0.00 0.00 15 A 7.47 4.49 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 16 D 8.48 4.73 0.00 2.68 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 17 P 0.00 4.44 0.00 1.90 1.93 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 18 E 8.99 4.44 0.00 2.07 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 2.19 2.22 0.00 19 L 8.44 5.02 0.00 1.61 1.53 0.66 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.32 5.00 0.00 1.94 2.03 0.00 2.71 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 21 F 8.66 5.31 0.00 2.84 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 22 T 9.11 4.26 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 1.42 0.00 0.00 23 P 0.00 4.30 0.00 2.23 2.29 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 24 S 7.49 4.27 0.00 4.00 4.07 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 25 G 8.13 4.07 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 0.00 0.00 0.00 26 A 7.86 4.08 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 27 A 8.40 4.17 0.95 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 0.00 0.00 28 V 7.93 4.22 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 0.16 0.00 0.00 0.68 0.00 0.00 29 A 8.32 5.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.17 5.16 0.00 2.56 2.46 0.00 0.00 6.69 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.53 4.96 0.00 3.04 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 32 T 8.30 5.20 4.41 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 1.26 0.00 0.00 33 V 8.90 4.83 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 1.02 0.00 0.00 1.10 0.00 0.00 34 A 8.75 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.40 4.81 0.00 3.73 3.80 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 36 T 8.36 4.75 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 1.19 0.00 0.00 37 P 0.00 4.67 0.00 2.19 2.25 0.00 3.94 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 38 R 8.63 5.75 0.00 1.58 1.74 0.00 3.15 0.00 0.00 3.92 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.00 39 M 8.61 4.47 0.00 1.70 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.09 0.00 40 F 8.95 3.30 0.00 2.03 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 41 D 8.00 4.17 0.00 2.81 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 42 R 7.71 4.37 0.00 1.82 1.85 0.00 3.30 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 43 Q 10.15 4.46 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.88 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 44 S 9.94 3.38 0.00 3.74 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 45 G 8.66 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 46 E 8.24 4.39 0.00 2.00 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 2.19 1.89 0.00 47 W 9.62 4.53 0.00 3.12 3.28 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 *48 K 9.50 4.64 0.00 1.36 1.71 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.27 7.81 49 D 8.68 4.99 0.00 2.56 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 50 G 9.37 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 0.00 0.00 0.00 0.00 *51 E 9.01 3.84 0.00 1.76 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 2.24 1.93 0.00 52 A 8.87 4.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.48 0.00 1.86 1.65 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.73 4.83 0.00 2.89 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 55 L 8.76 4.68 0.00 1.54 1.53 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.64 4.74 0.00 1.89 1.75 0.00 3.23 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 57 C 8.72 5.14 0.00 2.54 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 58 N 8.50 5.02 0.00 2.25 2.59 0.00 0.00 6.29 7.43 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 59 I 8.37 4.88 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.97 0.00 0.00 60 W 8.37 5.11 0.00 3.43 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 61 R 8.57 3.69 0.00 2.11 1.91 0.00 3.15 0.00 0.00 3.40 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 62 E 8.75 4.13 0.00 2.04 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 2.44 2.35 0.00 63 A 8.04 4.09 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 64 A 8.26 4.03 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 65 E 7.56 3.93 0.00 2.20 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 0.00 2.35 2.46 0.00 66 N 7.84 4.49 0.00 2.91 2.86 0.00 0.00 6.65 7.34 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 67 V 7.56 3.52 2.24 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 0.86 0.00 0.00 1.00 0.00 0.00 68 A 7.86 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 69 E 7.59 4.32 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 2.33 0.00 70 S 7.89 4.59 0.00 3.81 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 71 L 7.79 4.71 0.00 1.41 1.39 0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.61 4.78 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 1.18 0.00 0.00 73 R 8.40 4.13 0.00 1.83 1.85 0.00 3.29 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 74 G 8.58 4.08 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 0.00 0.00 0.00 75 S 7.20 4.72 0.00 3.74 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 76 R 8.35 4.79 0.00 1.89 1.75 0.00 2.90 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 77 V 8.85 4.99 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 0.59 0.00 0.00 0.89 0.00 0.00 78 I 8.52 4.69 1.85 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 1.07 0.65 0.89 0.00 0.00 79 V 8.65 4.96 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 1.08 0.00 0.00 1.01 0.00 0.00 80 T 8.05 5.10 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 1.27 0.00 0.00 81 G 7.86 4.31 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 0.00 82 R 8.45 5.19 0.00 1.75 1.80 0.00 3.12 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 83 L 8.64 4.86 0.00 1.65 1.61 0.92 1.16 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 84 K 9.06 4.72 0.00 1.74 1.70 0.00 1.50 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.42 7.81 85 Q 8.52 5.07 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 86 R 8.68 4.76 0.00 1.78 1.81 0.00 3.18 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 87 S 8.93 5.47 0.00 3.80 3.87 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 88 F 9.61 5.09 0.00 3.03 2.86 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 89 E 8.65 4.18 0.00 2.01 1.78 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 2.19 1.86 0.00 90 T 7.99 3.75 4.13 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 91 R 8.48 3.85 0.00 1.97 2.19 0.00 3.30 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 0.00 *95 K 7.74 3.82 0.00 1.79 1.72 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *96 R 7.94 4.88 0.00 1.47 1.65 0.00 3.15 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 97 T 8.78 5.16 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 98 V 8.61 4.44 1.86 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 0.70 0.00 0.00 0.22 0.00 0.00 99 V 8.26 4.84 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 0.87 0.00 0.00 0.96 0.00 0.00 100 E 9.00 4.88 0.00 1.90 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 2.12 2.14 0.00 101 V 8.38 4.66 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 0.94 0.00 0.00 0.92 0.00 0.00 102 E 9.02 4.55 0.00 2.18 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 2.58 2.59 0.00 103 V 8.21 3.95 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 104 D 9.17 4.79 0.00 2.72 2.71 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 0.00 105 E 7.68 4.89 0.00 1.84 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 2.30 2.23 0.00 106 I 7.36 5.20 1.94 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 1.20 0.27 0.95 0.00 0.00 107 G 8.02 4.21 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 0.00 0.00 0.00 108 P 0.00 4.80 0.00 2.05 2.03 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.62 4.18 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 0.00 110 L 8.25 5.26 0.00 1.63 1.63 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.48 3.79 0.00 1.45 1.44 0.00 3.02 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 112 Y 7.52 4.87 0.00 2.98 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 0.00 113 A 7.61 4.80 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 0.00 114 T 8.31 4.80 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 0.00 115 A 8.31 4.59 1.19 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 0.00 0.00 116 K 8.49 4.42 0.00 1.75 1.61 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.95 7.81 117 V 8.07 4.25 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 0.96 0.00 0.00 0.92 0.00 0.00 118 N 8.34 4.96 0.00 2.69 2.66 0.00 0.00 6.99 7.61 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 0.00 119 K 8.62 4.29 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 120 A 8.35 4.32 1.23 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 * Residues marked with a * may have inaccurate shift predictions.