NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3409 8.3049 120.3257 54.9490 32.7105 174.9890 2 I 3.8844 7.9265 121.5275 60.1609 36.8314 175.6335 3 S 4.3598 9.0489 123.3256 59.4655 64.0161 175.1982 4 G 3.8148 6.2849 105.5845 45.0629 0.0000 171.0479 5 L 4.0952 7.9507 122.1467 55.0171 42.7315 177.1472 6 S 4.4717 8.4070 121.0906 59.3967 62.9913 173.2000 7 H 4.6822 6.9475 111.6535 55.1616 31.0906 172.1438 8 I 4.4981 7.9632 117.8106 59.9339 40.8904 174.7841 9 T 5.1315 8.5524 123.3338 61.7109 70.6800 173.6420 10 L 4.8498 8.9299 125.7834 52.9773 45.2760 175.3613 11 I 5.0143 8.4280 122.9248 60.1802 38.8554 175.4789 12 V 4.7498 8.8974 118.8557 59.7270 35.9002 176.6452 13 K 4.3136 10.0055 124.7179 58.1897 32.4286 177.0638 14 D 4.9340 7.8235 119.1129 51.7651 43.0552 175.5764 15 L 4.0680 8.5775 129.8385 58.2979 42.0776 178.4160 16 N 4.4061 8.2860 115.8477 56.3987 38.6708 177.3681 17 K 4.0020 8.7958 120.0674 59.8883 32.1639 179.5902 18 T 4.2610 8.1289 116.0147 66.9654 68.2643 176.7108 19 T 3.8909 8.3646 117.5374 66.8305 68.5656 176.4527 20 A 4.2256 8.0261 122.4850 54.9461 18.3459 179.4258 21 F 4.1942 8.3262 118.9658 61.7429 39.5902 177.4758 22 L 3.9323 8.5356 118.8799 57.6625 41.1473 179.7328 23 Q 4.0547 8.3569 118.4411 58.9297 28.5207 178.3194 24 N 4.2479 8.4431 116.4918 56.2238 38.6762 177.2971 25 I 3.6375 7.1378 119.4727 63.6318 37.5230 177.1590 26 F 4.4186 7.4007 113.9745 56.6053 39.2056 175.3955 27 N 4.5227 8.3785 115.6862 52.6316 35.9995 174.0844 28 A 4.2257 7.8319 118.5136 52.8429 19.6180 178.3557 29 E 4.5968 9.1393 121.8492 53.7610 31.2028 174.2706 30 E 4.1841 9.0788 127.2707 56.6373 29.8463 176.1648 31 I 4.6905 8.7267 117.9468 60.5486 39.4135 174.4047 32 Y 4.7007 7.5898 122.6030 57.0024 42.1464 172.9228 33 S 4.8219 6.9541 118.0060 57.2315 65.6432 173.1852 34 S 4.3226 9.0827 120.7428 57.0150 66.8538 172.5260 35 G 4.2966 8.6519 106.4534 44.1491 0.0000 173.8992 36 D 4.3645 9.2595 116.6441 53.0478 43.1139 176.2148 37 K 3.9244 8.6289 127.5524 60.0434 32.4997 179.2768 38 T 4.1186 7.9433 107.2628 62.9815 68.9784 174.4053 39 F 4.9853 8.3052 123.6436 57.2475 40.0988 174.9892 40 S 3.6663 7.8862 113.0089 59.8904 60.6987 173.1485 41 L 4.7339 7.3520 118.4773 52.6962 44.8475 178.1252 42 S 4.5024 8.8411 120.2113 59.0372 64.2853 174.0739 43 K 4.6929 8.6027 121.8958 56.2466 33.8359 175.5350 44 E 5.2626 8.8049 118.8420 55.7363 33.1952 174.3269 45 K 5.0071 9.2465 120.0275 54.7836 37.0579 174.9762 46 F 5.9607 8.8016 120.3632 56.1530 41.9523 174.7759 47 F 5.5451 10.1669 121.2582 55.7180 43.6696 173.7557 48 L 5.3948 8.7732 119.3242 53.2453 44.8762 175.9853 49 I 4.7195 8.5525 123.6479 59.4850 40.7859 175.6977 50 A 3.7052 9.7334 132.5773 53.2213 15.8836 177.4393 51 G 4.0064 8.1737 106.6639 45.9091 0.0000 173.2416 52 L 4.5671 8.1651 120.8954 52.8327 43.4535 175.6150 53 W 4.8122 8.7658 133.2774 57.1955 31.5248 174.5071 54 I 4.9288 9.2375 129.6478 59.8145 39.0976 174.6513 55 C 5.5352 9.1285 125.4136 58.2007 30.8512 172.9073 56 I 5.1070 9.3327 123.7324 59.7957 40.1328 174.1528 57 M 5.2127 9.1908 126.7890 53.5331 35.4730 173.9413 58 E 4.6554 8.8656 127.2406 56.3232 30.6119 176.2977 59 G 4.1286 8.9534 113.8262 46.8841 0.0000 171.5960 60 D 5.0571 8.9523 122.3385 53.7885 41.9114 177.2016 61 S 4.4000 8.5769 118.3537 57.6024 63.6499 174.2229 62 L 3.9964 7.9850 122.9796 55.6321 41.7019 178.8026 63 Q 4.0949 8.6303 121.6567 57.8494 29.0758 175.5666 64 E 4.6575 7.4356 116.2794 55.0354 33.8429 174.3935 65 R 4.5013 8.3544 119.8514 54.9176 31.2452 176.1282 66 T 4.6984 8.3228 112.0865 59.9559 71.6561 172.8735 67 Y 4.6336 8.4402 119.8833 57.5869 38.7397 174.7630 68 N 4.3845 7.8027 116.4893 53.9441 39.0475 173.7909 69 H 4.7233 7.6758 115.9616 55.6266 31.7972 172.4721 70 I 4.3963 7.8867 118.8733 59.2870 39.9679 174.5602 71 A 5.1641 8.2129 127.1906 50.1881 21.6258 175.2746 72 F 4.7795 9.1171 120.5960 55.8228 42.1925 174.5199 73 Q 5.1035 8.7081 122.5742 55.1175 30.2114 174.6640 74 I 4.8161 8.6146 118.6562 59.0437 41.8459 174.8002 75 Q 4.4555 9.4728 122.6515 55.5414 29.5349 177.9391 76 S 4.2874 8.5174 114.7960 60.7905 63.3304 175.7057 77 E 4.2692 8.1377 119.1706 57.8445 29.7115 176.8217 78 E 4.5977 8.0268 117.9756 55.9983 30.5093 177.8341 79 V 3.6225 7.6407 119.1670 66.4256 31.5260 177.6245 80 D 4.3787 8.1383 117.9133 57.4687 40.6843 178.1329 81 E 3.7647 8.1439 119.0169 59.8611 29.7452 178.5283 82 Y 3.9219 8.4529 116.7705 60.9584 37.8547 178.7972 83 T 3.8743 8.2425 117.6274 66.5396 68.4025 176.3234 84 E 3.9434 8.2079 121.2910 59.1618 29.4442 178.9024 85 R 3.8286 7.7036 117.3540 59.2189 30.2494 178.8050 86 I 3.6716 7.5320 119.3830 63.9800 37.3307 178.2531 87 K 3.8575 8.0316 120.0942 59.0814 31.7102 177.9961 88 A 4.3033 7.4642 119.2010 53.4249 18.8451 178.2590 89 L 4.4259 8.1395 117.1296 54.3599 41.9237 178.3810 90 G 4.1499 7.8081 106.8359 45.6531 0.0000 174.9126 91 V 3.7375 7.1613 111.9013 61.8338 32.3032 175.1367 92 E 4.4240 8.8094 123.5711 56.1985 30.5002 175.5849 93 M 4.9809 8.9827 128.9242 54.8344 34.1621 177.2941 94 K 4.6985 8.2194 124.6387 52.8214 30.8066 174.4138 95 P 4.1983 0.0000 0.0000 63.3378 32.5864 176.9168 *103 E 4.3551 8.4480 119.6162 55.6849 30.8065 171.2136 104 G 4.4071 8.4616 105.1508 46.6770 0.0000 173.8948 105 R 4.4528 8.7388 125.7649 57.0746 30.8258 172.4500 106 S 5.1681 8.6042 116.8859 56.4598 67.2959 173.3293 107 I 4.5894 8.5304 123.3305 59.8105 39.9765 174.1117 108 Y 5.2661 8.4879 124.3450 56.3416 40.8752 174.6420 109 F 5.2251 8.5040 116.1630 56.5571 41.5869 172.7234 110 Y 5.3510 8.9526 117.9355 56.2645 40.1197 175.5161 111 D 4.1430 8.4011 120.4014 52.5171 41.6812 176.9854 112 F 4.8195 7.8151 122.5274 58.4198 38.8986 175.6473 113 D 4.7576 7.7709 117.6471 53.9416 42.6773 175.3899 114 N 4.4067 8.3889 114.3238 54.7237 35.4410 173.6160 115 H 4.7667 8.9536 116.8232 54.2431 30.0814 174.5245 116 L 3.7925 8.3946 126.8291 54.6577 43.0701 175.7542 117 F 4.7901 8.8073 125.0552 55.7960 42.6110 174.1406 118 E 4.9770 8.8296 119.4665 54.6812 33.6012 173.9089 119 L 5.1388 9.0077 125.9462 53.4480 44.3214 174.6712 120 H 5.0435 9.4824 125.0061 54.2562 32.1662 173.0257 121 A 5.5691 8.2772 127.8977 51.4666 20.3324 175.4370 122 G 4.0247 8.3441 108.2258 44.3340 0.0000 172.6763 123 T 4.7233 8.0685 110.7026 58.7528 73.0968 174.6933 124 L 3.8821 8.3027 120.8866 58.6301 42.0478 177.9872 125 E 3.9815 8.4458 120.2006 60.4519 29.1634 179.5441 126 E 3.9665 7.6125 116.7315 61.5131 29.8943 180.9632 127 R 4.2551 8.1397 118.8703 59.9672 30.1953 177.8745 128 L 4.1973 8.0510 119.9400 57.4736 41.8103 177.9423 129 K 4.0553 8.2602 125.1080 55.2723 31.6249 178.6874 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 1 M 8.30 4.34 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 I 7.93 3.88 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.92 0.00 0.00 3 S 9.05 4.36 0.00 3.86 3.95 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 4 G 6.28 3.81 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 0.00 0.00 0.00 5 L 7.95 4.10 0.00 1.57 1.57 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.41 4.47 0.00 3.88 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 7 H 6.95 4.68 0.00 2.34 2.33 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.96 4.50 1.84 0.00 0.00 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 1.11 0.53 0.84 0.00 0.00 9 T 8.55 5.13 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 1.23 0.00 0.00 10 L 8.93 4.85 0.00 1.64 1.51 1.16 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.43 5.01 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 1.03 0.00 0.00 12 V 8.90 4.75 2.33 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 0.95 0.00 0.00 1.12 0.00 0.00 13 K 10.01 4.31 0.00 1.69 1.86 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.40 7.81 14 D 7.82 4.93 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.07 0.00 1.84 1.73 1.12 0.96 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 16 N 8.29 4.41 0.00 2.97 2.90 0.00 0.00 7.11 7.01 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 17 K 8.80 4.00 0.00 1.86 1.56 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.32 1.72 7.81 18 T 8.13 4.26 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 1.40 0.00 0.00 19 T 8.36 3.89 4.62 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 1.55 0.00 0.00 20 A 8.03 4.23 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 21 F 8.33 4.19 0.00 3.44 3.43 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 22 L 8.54 3.93 0.00 1.38 1.33 0.38 0.86 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 23 Q 8.36 4.05 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 24 N 8.44 4.25 0.00 2.62 2.79 0.00 0.00 7.12 7.57 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 25 I 7.14 3.64 0.79 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.04 -0.33 0.00 0.00 26 F 7.40 4.42 0.00 2.82 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 27 N 8.38 4.52 0.00 2.88 2.91 0.00 0.00 7.22 7.35 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 28 A 7.83 4.23 1.11 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 29 E 9.14 4.60 0.00 2.12 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 2.25 2.26 0.00 30 E 9.08 4.18 0.00 1.85 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 2.13 1.88 0.00 31 I 8.73 4.69 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.02 1.00 0.00 0.00 32 Y 7.59 4.70 0.00 2.97 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 6.95 4.82 0.00 3.79 3.39 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 34 S 9.08 4.32 0.00 3.82 3.54 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 35 G 8.65 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 36 D 9.26 4.36 0.00 2.71 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 37 K 8.63 3.92 0.00 2.00 2.10 0.00 1.57 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.47 7.81 38 T 7.94 4.12 4.29 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 1.24 0.00 0.00 39 F 8.31 4.99 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 3.67 0.00 3.88 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 41 L 7.35 4.73 0.00 1.70 1.58 1.20 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.84 4.50 0.00 3.82 3.84 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 43 K 8.60 4.69 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.45 7.81 44 E 8.80 5.26 0.00 2.25 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 2.26 2.49 0.00 45 K 9.25 5.01 0.00 1.74 1.28 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.39 7.81 46 F 8.80 5.96 0.00 3.09 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 47 F 10.17 5.55 0.00 3.04 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 48 L 8.77 5.39 0.00 1.70 1.62 0.94 0.76 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 49 I 8.55 4.72 1.82 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.56 0.00 0.00 50 A 9.73 3.71 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 51 G 8.17 4.01 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 0.00 0.00 0.00 52 L 8.17 4.57 0.00 1.90 1.70 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.77 4.81 0.00 3.37 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 54 I 9.24 4.93 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.16 1.01 0.00 0.00 55 C 9.13 5.54 0.00 2.72 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 56 I 9.33 5.11 2.25 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 1.11 0.00 0.00 57 M 9.19 5.21 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 58 E 8.87 4.66 0.00 2.12 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 2.36 2.56 0.00 59 G 8.95 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 0.00 0.00 0.00 0.00 60 D 8.95 5.06 0.00 2.59 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 S 8.58 4.40 0.00 3.86 3.95 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 62 L 7.98 4.00 0.00 1.71 1.61 0.98 1.20 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 63 Q 8.63 4.09 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 E 7.44 4.66 0.00 2.03 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 2.23 2.41 0.00 65 R 8.35 4.50 0.00 1.67 1.80 0.00 2.67 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 0.00 66 T 8.32 4.70 4.29 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 1.23 0.00 0.00 67 Y 8.44 4.63 0.00 2.85 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 68 N 7.80 4.38 0.00 2.73 2.63 0.00 0.00 6.70 7.74 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 69 H 7.68 4.72 0.00 3.01 2.95 0.00 5.08 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 70 I 7.89 4.40 1.66 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 1.05 0.74 0.47 0.00 0.00 71 A 8.21 5.16 1.10 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 0.00 0.00 72 F 9.12 4.78 0.00 3.16 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 73 Q 8.71 5.10 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 74 I 8.61 4.82 1.83 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 1.31 0.58 0.49 0.00 0.00 75 Q 9.47 4.46 0.00 2.19 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 76 S 8.52 4.29 0.00 4.00 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 77 E 8.14 4.27 0.00 1.98 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 2.32 2.40 0.00 78 E 8.03 4.60 0.00 2.28 2.17 0.00 0.00 0.00 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 2.41 0.00 79 V 7.64 3.62 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 1.12 0.00 0.00 0.97 0.00 0.00 80 D 8.14 4.38 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.76 0.00 1.91 1.93 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 1.96 2.19 0.00 82 Y 8.45 3.92 0.00 3.14 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 83 T 8.24 3.87 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 1.22 0.00 0.00 84 E 8.21 3.94 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 2.26 2.34 0.00 85 R 7.70 3.83 0.00 1.80 1.80 0.00 2.79 0.00 0.00 2.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 86 I 7.53 3.67 1.77 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.44 0.48 0.00 0.00 87 K 8.03 3.86 0.00 1.93 1.96 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 88 A 7.46 4.30 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 89 L 8.14 4.43 0.00 1.87 1.88 0.99 1.22 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 90 G 7.81 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.16 3.74 2.35 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 0.45 0.00 0.00 1.04 0.00 0.00 92 E 8.81 4.42 0.00 2.14 1.96 0.00 0.00 0.00 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 2.45 0.00 93 M 8.98 4.98 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 94 K 8.22 4.70 0.00 1.54 1.60 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.25 7.81 95 P 0.00 4.20 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 *103 E 8.45 4.36 0.00 2.01 1.77 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 2.13 1.89 0.00 104 G 8.46 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 0.00 0.00 0.00 0.00 105 R 8.74 4.45 0.00 1.52 1.82 0.00 3.19 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 106 S 8.60 5.17 0.00 3.75 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.53 4.59 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 1.03 0.00 0.00 108 Y 8.49 5.27 0.00 3.01 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 0.00 109 F 8.50 5.23 0.00 3.25 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 0.00 110 Y 8.95 5.35 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.14 0.00 2.04 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 0.00 112 F 7.82 4.82 0.00 3.05 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 0.00 113 D 7.77 4.76 0.00 2.61 2.53 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 0.00 114 N 8.39 4.41 0.00 2.85 2.94 0.00 0.00 7.02 8.16 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 0.00 115 H 8.95 4.77 0.00 3.35 2.75 0.00 5.61 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.39 3.79 0.00 1.48 1.55 0.28 0.76 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 0.00 117 F 8.81 4.79 0.00 2.14 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 0.00 118 E 8.83 4.98 0.00 1.66 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 1.82 1.47 0.00 119 L 9.01 5.14 0.00 1.60 1.46 0.56 0.78 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 0.00 120 H 9.48 5.04 0.00 3.30 3.14 0.00 5.76 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 0.00 121 A 8.28 5.57 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.34 4.02 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 0.00 0.00 0.00 123 T 8.07 4.72 4.32 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 1.27 0.00 0.00 124 L 8.30 3.88 0.00 1.77 1.71 0.91 0.87 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 0.00 125 E 8.45 3.98 0.00 2.10 2.01 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 2.41 2.47 0.00 126 E 7.61 3.97 0.00 1.99 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 2.27 2.21 0.00 127 R 8.14 4.26 0.00 1.90 2.20 0.00 3.31 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 128 L 8.05 4.20 0.00 1.67 1.65 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.26 4.06 0.00 1.78 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.29 7.81 * Residues marked with a * may have inaccurate shift predictions.