NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5421 8.2114 120.1662 54.3151 43.2605 177.4709 6 G 3.2587 7.5947 107.7419 47.9678 0.0000 174.7504 7 F 4.2863 8.3117 119.8917 60.1239 39.6952 175.0524 8 L 4.4252 7.3528 116.0854 55.3833 41.4650 178.4072 9 E 4.0144 7.9753 121.6428 58.7841 29.2467 178.7310 10 L 3.7848 7.5134 118.3545 57.8860 41.6711 178.8637 11 E 4.2897 8.2309 119.8504 58.5751 29.3992 178.5626 12 R 3.9922 7.7971 118.6801 58.2418 30.3224 176.7832 13 S 4.5762 7.4932 112.4079 57.9623 63.9153 173.1956 14 S 4.4779 9.0123 114.9237 57.6843 65.3153 174.5106 15 G 4.1437 8.8098 111.9360 45.9495 0.0000 174.1448 16 K 4.0645 8.5435 120.8924 59.0217 32.2479 179.0492 17 L 3.9668 7.9310 120.2433 58.1887 42.0560 178.4331 18 E 3.9340 8.1859 118.6217 58.9660 29.6302 178.0551 19 W 4.1112 8.1331 128.1373 60.7727 30.7194 177.7985 20 S 4.1215 8.7276 112.9065 61.3460 61.8041 175.8765 21 A 4.0086 8.1843 123.4642 55.1524 17.8791 179.6769 22 I 3.5221 7.6021 117.2305 64.4179 37.3008 177.9882 23 L 3.8229 7.3248 119.6799 58.2323 42.1188 178.6787 24 Q 4.1999 8.3819 118.2623 58.7015 28.6281 179.6350 25 K 4.1261 8.0190 117.8737 56.8386 31.9759 178.2367 *27 A 4.3840 7.9531 121.9382 51.8277 20.6968 179.7683 28 S 4.4418 8.5693 110.0635 61.0573 62.5369 176.2174 29 D 4.3846 8.4445 119.1474 56.9409 40.5630 177.2921 30 L 4.2097 7.7068 116.6464 54.8764 42.0823 177.2241 31 G 3.6329 7.8831 106.9129 44.9019 0.0000 173.4586 32 F 4.8600 8.5175 120.1113 55.6118 39.8148 176.6788 33 S 4.3941 8.7621 120.9189 59.4630 63.9172 174.2891 34 K 5.1403 7.9885 119.7826 54.6366 35.5178 175.1873 35 I 5.2638 9.7511 124.2242 59.3255 42.1500 173.3727 36 L 4.9975 8.9425 129.4418 53.0794 45.4449 174.6193 37 F 5.0964 9.7641 129.0231 56.5337 41.5640 174.0845 38 G 4.4313 8.7348 114.0245 44.3865 0.0000 171.0295 39 L 5.1940 8.9392 124.3890 53.5785 46.1690 174.3574 40 L 5.5404 9.5007 125.2909 52.1451 46.1314 174.4298 41 P 4.1466 0.0000 0.0000 61.4563 33.0312 175.4358 42 K 4.2288 8.0806 120.3100 57.4176 32.3088 176.9336 43 D 4.5783 8.6348 122.1805 54.6609 39.3949 174.0515 44 S 4.4490 7.5031 113.6593 57.4907 63.0379 173.7137 45 Q 4.1119 8.1732 126.2146 55.6486 29.9988 176.2860 46 D 4.4601 7.4084 118.0126 52.9585 39.7021 176.2628 47 Y 4.3619 7.0972 120.9370 61.0139 38.3019 178.5933 48 E 4.3034 8.2496 117.6901 58.0898 29.8498 177.2328 49 N 4.9160 8.0086 115.6287 52.6149 39.8363 174.3748 50 A 4.3843 7.6320 119.9054 51.6474 19.7442 178.0923 51 F 4.3085 9.1362 122.3591 58.3699 40.2875 174.1802 52 I 4.8790 7.8773 126.8296 59.3916 39.7251 175.2340 53 V 4.2227 10.0124 126.2108 61.4159 34.9218 175.6104 54 G 3.7258 7.7735 112.3991 44.7898 0.0000 173.5662 55 N 5.1546 8.2476 121.8535 52.4989 38.1076 174.2022 56 Y 4.4890 8.4331 115.5705 58.5092 38.7076 175.3098 57 P 4.3537 0.0000 0.0000 63.0799 32.7480 177.4088 58 A 4.0632 8.9336 124.0259 55.4762 18.3200 179.6200 59 A 4.1644 8.0946 118.6598 54.8948 18.4473 179.5792 60 W 4.4033 8.1938 126.4289 60.8689 31.0038 177.9424 61 R 3.7781 8.2837 118.1313 59.5131 29.4876 178.7997 62 E 3.9175 8.3759 117.9484 59.6618 29.5308 178.8330 63 H 4.0413 8.2594 118.1449 59.3729 29.5246 176.2117 64 Y 3.3944 7.8972 121.4995 60.8872 38.3224 178.1964 65 D 4.4102 8.2180 119.3776 57.3558 40.7198 178.9611 66 R 3.8276 7.9472 117.5386 59.1431 30.2605 178.4298 67 A 4.0745 7.9878 117.4585 51.5084 18.9925 177.1938 68 G 3.7820 7.6103 105.7876 46.3752 0.0000 175.9964 69 Y 4.0983 7.5942 119.3240 59.9606 38.0817 178.6181 70 A 3.5283 7.5371 121.3531 54.2150 18.3267 178.3814 71 R 4.1895 7.6671 112.2920 56.9540 30.6705 177.2188 72 V 3.9208 7.0759 116.4646 63.6036 33.5325 175.4703 73 D 3.4256 8.0489 120.9072 53.6869 41.7226 175.2808 74 P 4.2463 0.0000 0.0000 65.7278 31.3854 178.4498 75 T 3.9038 8.1816 110.1186 64.4476 68.4647 176.8668 76 V 3.3810 7.5532 120.6863 65.7962 31.4032 177.5533 77 S 3.9917 7.9077 111.0427 61.9072 62.3270 175.1218 78 H 4.1914 8.1808 120.3708 59.7488 29.3489 176.7702 79 C 4.0957 7.8105 117.1308 63.0550 28.0345 175.8735 80 T 4.1847 7.6639 109.2459 63.4358 68.6301 174.9595 81 Q 4.5399 7.8544 118.6385 55.7522 30.7926 175.1548 82 S 4.5756 7.5516 110.3782 57.1272 65.3083 173.6361 83 V 4.2505 8.3108 116.6612 61.1666 31.9085 175.9043 84 L 4.6789 7.7432 120.7706 51.8554 43.4654 174.7809 85 P 4.1798 0.0000 0.0000 62.8052 31.8483 175.2142 86 I 4.2702 8.1966 121.0129 59.2757 40.0186 174.3842 87 F 4.8153 8.8020 128.1345 56.6188 40.3034 176.2282 88 W 4.9576 9.3961 124.2427 56.1153 28.4913 175.4760 89 E 5.0159 8.6009 121.9606 53.2542 32.7050 175.2295 90 P 4.2051 0.0000 0.0000 65.8742 31.5313 178.9403 91 S 4.1954 8.1565 111.6035 61.0944 62.8052 175.4365 92 I 3.7412 7.6542 113.1379 62.4427 37.5885 175.8975 93 Y 4.4684 7.3588 119.6319 56.8915 36.7250 174.9849 94 Q 4.2490 8.9231 123.0974 58.0551 29.9830 177.8097 95 T 4.2682 7.6804 107.6757 60.8891 71.2571 175.1975 96 R 3.9885 8.4724 121.0416 59.7561 30.0654 178.7476 97 K 4.3693 7.9295 119.0660 58.9337 32.0799 179.2996 98 Q 4.1412 8.3116 118.5625 59.1532 28.6376 178.1597 99 H 4.2266 8.4035 117.4317 59.0074 28.7572 177.4877 100 E 3.9591 8.1727 119.9936 59.5057 29.3575 179.2142 101 F 3.8801 8.3102 120.5280 61.1365 39.4217 176.7298 102 F 3.2575 8.4016 120.5806 61.0988 39.1125 176.9233 103 E 3.5667 7.9734 117.9978 59.2209 28.7971 179.2683 104 E 3.8115 7.7980 118.2301 59.2315 29.5768 179.2315 105 A 2.5800 7.2819 120.9919 54.6490 18.1877 179.6876 106 S 3.4742 7.3853 113.6078 61.5809 62.5219 176.9220 107 A 3.7508 7.1337 121.6502 54.6623 18.1435 178.6582 108 A 4.0203 6.6085 116.1427 52.1558 18.5212 178.2778 109 G 3.6551 7.6584 105.9466 45.6568 0.0000 175.1099 110 L 4.5773 6.9315 120.0997 53.4137 40.6253 176.7163 111 V 3.7891 7.4685 120.5856 64.6971 32.6857 175.2968 112 Y 5.1545 7.9434 116.9768 55.3859 40.4143 175.7827 113 G 3.2881 7.7967 109.9441 45.7130 0.0000 170.7797 114 L 4.5401 6.5603 117.9487 54.7476 44.4236 175.5094 115 T 5.3181 8.3418 116.1563 60.4439 72.5788 171.0628 *117 P 4.5144 0.0000 0.0000 63.0303 32.8670 176.2310 118 L 4.6986 8.4059 122.1438 53.3102 44.8254 175.4257 119 H 5.0830 8.7809 120.0061 53.9833 31.6663 173.6462 120 G 3.9009 9.1015 113.3433 44.2108 0.0000 173.3058 121 A 4.0791 8.5430 121.8505 54.3951 18.3964 178.7469 122 R 4.4651 8.3132 113.9119 56.0615 30.4898 177.2518 123 G 3.9378 8.2914 106.0497 45.1061 0.0000 173.8450 124 E 4.2213 7.9455 119.5213 56.6800 30.8442 175.4742 125 L 4.9925 8.7946 125.7472 53.4927 44.9093 175.5627 126 G 4.2101 8.7886 111.7713 45.8601 0.0000 171.0449 127 A 4.8301 8.7410 120.6314 50.2073 23.2521 175.3013 128 L 5.0465 8.5697 124.0821 53.6402 44.3159 174.8843 129 S 5.1846 9.5155 123.9530 56.9044 65.6076 173.5278 130 L 5.0560 8.6648 123.5581 52.9351 44.8445 175.2563 131 S 5.0481 9.5643 119.3285 56.3588 64.8768 172.8953 132 V 4.6455 8.4889 126.3899 59.9619 33.5271 175.1248 133 E 4.4615 8.8074 122.8005 55.7258 30.3191 175.7380 134 A 5.0242 8.4234 124.9181 50.7579 22.4145 175.7673 135 E 4.2007 9.6399 120.2008 59.1427 29.8930 176.6650 136 N 5.0870 7.2162 113.3038 51.3904 40.0713 174.8839 137 R 3.3969 8.5434 116.7766 59.2109 29.9960 177.9077 138 A 3.8402 7.8697 120.1808 55.1635 18.2694 179.0999 139 E 3.2936 8.3668 117.4547 59.0897 29.4686 178.5183 140 A 3.8615 7.1793 119.4194 55.4427 18.3857 179.0953 141 N 4.3786 7.9508 113.6404 56.3318 38.9777 177.4266 142 R 4.0714 7.7254 119.4126 59.3869 29.7047 179.2804 143 F 4.3395 7.7278 113.6125 59.1208 38.6503 176.5166 *145 E 4.4213 8.1073 122.0454 56.1825 31.1386 177.9405 146 S 4.2497 8.1208 112.9369 60.5925 63.0868 175.8965 147 V 4.4461 7.2265 110.0571 60.5816 32.1618 177.0015 148 L 4.1607 7.8977 122.5914 57.9683 41.7225 177.1504 149 P 4.4132 0.0000 0.0000 65.9417 31.4042 178.3134 150 T 4.2835 8.0341 112.9192 66.8871 68.7160 176.2106 151 L 4.2746 8.3961 120.9552 57.3022 40.4068 179.4278 152 W 4.3406 8.3854 125.2291 58.1012 30.3373 177.1622 *154 L 3.7056 7.8642 121.1083 54.1842 43.3545 178.8459 155 K 4.1161 8.1849 118.4489 60.2625 32.2366 178.8888 156 D 4.3465 7.6413 117.0907 57.0476 40.6894 178.3448 157 Y 3.9034 7.7889 116.6497 60.9287 37.8897 178.1615 158 A 4.1504 8.6247 122.0737 55.1259 18.4744 179.3988 159 L 4.2770 8.4836 119.1088 58.4796 40.8949 179.0232 160 Q 3.9603 8.3489 119.5535 59.1937 29.1438 178.0817 161 S 4.5824 7.9214 115.6097 61.0902 62.6144 176.2205 162 G 2.9223 8.9194 108.6713 47.3708 0.0000 175.1724 163 A 3.9681 8.2358 123.1519 54.9450 18.4038 179.9584 164 G 3.3836 7.3404 101.4784 47.8324 0.0000 175.4129 165 L 3.6162 6.9204 121.3471 57.5411 41.9590 178.7687 166 A 2.5800 7.1527 119.2589 53.9569 18.1964 178.7746 167 F 4.9376 7.0906 111.8999 57.0326 40.4774 175.5140 168 E 4.1623 8.0945 122.1166 56.4486 29.6351 176.4428 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 D 8.21 4.54 0.00 2.73 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 6 G 7.59 3.26 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 0.00 7 F 8.31 4.29 0.00 2.16 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 0.00 0.00 0.00 0.00 8 L 7.35 4.43 0.00 1.70 1.74 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.98 4.01 0.00 1.98 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 2.25 2.34 0.00 10 L 7.51 3.78 0.00 1.85 1.78 0.66 -0.42 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 11 E 8.23 4.29 0.00 2.21 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 2.45 2.35 0.00 12 R 7.80 3.99 0.00 2.02 2.28 0.00 3.32 0.00 0.00 3.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 13 S 7.49 4.58 0.00 4.28 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 14 S 9.01 4.48 0.00 3.81 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 15 G 8.81 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 0.00 0.00 0.00 0.00 16 K 8.54 4.06 0.00 1.91 1.87 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.55 1.62 7.81 17 L 7.93 3.97 0.00 1.75 1.69 0.95 0.89 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 18 E 8.19 3.93 0.00 2.12 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 0.00 2.42 2.39 0.00 19 W 8.13 4.11 0.00 3.61 3.36 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 20 S 8.73 4.12 0.00 4.12 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 21 A 8.18 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 22 I 7.60 3.52 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.74 0.00 0.00 23 L 7.32 3.82 0.00 0.74 1.47 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.38 4.20 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 25 K 8.02 4.13 0.00 1.89 1.95 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.47 7.81 *27 A 7.95 4.38 1.47 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 0.00 0.00 28 S 8.57 4.44 0.00 3.93 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 29 D 8.44 4.38 0.00 2.69 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 30 L 7.71 4.21 0.00 2.04 2.03 0.98 1.12 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 31 G 7.88 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.52 4.86 0.00 3.27 3.09 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 33 S 8.76 4.39 0.00 4.02 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 34 K 7.99 5.14 0.00 1.91 1.99 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 35 I 9.75 5.26 1.93 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 1.37 1.75 1.01 0.00 0.00 36 L 8.94 5.00 0.00 0.27 0.82 0.46 0.96 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 37 F 9.76 5.10 0.00 3.27 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 38 G 8.73 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 0.00 0.00 0.00 0.00 39 L 8.94 5.19 0.00 1.56 1.55 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.50 5.54 0.00 1.70 1.48 1.02 1.05 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 41 P 0.00 4.15 0.00 1.70 1.13 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 42 K 8.08 4.23 0.00 1.85 1.67 0.00 1.79 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.40 7.81 43 D 8.63 4.58 0.00 2.82 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 44 S 7.50 4.45 0.00 3.74 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 45 Q 8.17 4.11 0.00 1.77 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.31 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 46 D 7.41 4.46 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.10 4.36 0.00 3.15 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 48 E 8.25 4.30 0.00 2.09 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 2.49 2.47 0.00 49 N 8.01 4.92 0.00 2.95 2.78 0.00 0.00 6.92 7.46 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 50 A 7.63 4.38 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 51 F 9.14 4.31 0.00 3.08 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 52 I 7.88 4.88 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.78 0.00 0.00 53 V 10.01 4.22 2.42 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 1.18 0.00 0.00 0.78 0.00 0.00 54 G 7.77 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 55 N 8.25 5.15 0.00 2.86 2.90 0.00 0.00 6.91 6.86 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 56 Y 8.43 4.49 0.00 3.00 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 57 P 0.00 4.35 0.00 2.31 2.08 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 58 A 8.93 4.06 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 59 A 8.09 4.16 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 60 W 8.19 4.40 0.00 3.42 3.38 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 61 R 8.28 3.78 0.00 2.10 1.99 0.00 3.31 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 62 E 8.38 3.92 0.00 2.19 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 2.34 2.44 0.00 63 H 8.26 4.04 0.00 3.25 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.90 3.39 0.00 2.20 2.73 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 65 D 8.22 4.41 0.00 2.72 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 66 R 7.95 3.83 0.00 1.90 1.91 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 67 A 7.99 4.07 0.39 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 68 G 7.61 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 0.00 0.00 0.00 69 Y 7.59 4.10 0.00 1.57 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 0.00 0.00 0.00 0.00 70 A 7.54 3.53 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 71 R 7.67 4.19 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 72 V 7.08 3.92 1.83 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 0.70 0.00 0.00 0.90 0.00 0.00 73 D 8.05 3.43 0.00 1.94 2.27 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 74 P 0.00 4.25 0.00 2.09 2.19 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 75 T 8.18 3.90 4.34 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 1.12 0.00 0.00 76 V 7.55 3.38 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 0.34 0.00 0.00 0.83 0.00 0.00 77 S 7.91 3.99 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.19 0.00 3.37 3.50 0.00 5.85 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 79 C 7.81 4.10 0.00 3.14 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 80 T 7.66 4.18 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 1.35 0.00 0.00 81 Q 7.85 4.54 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 82 S 7.55 4.58 0.00 3.63 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 83 V 8.31 4.25 2.16 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 0.80 0.00 0.00 1.02 0.00 0.00 84 L 7.74 4.68 0.00 1.70 1.69 1.06 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.18 0.00 1.20 1.38 0.00 3.53 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.25 0.00 86 I 8.20 4.27 1.29 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.62 0.93 0.00 0.00 87 F 8.80 4.82 0.00 3.03 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 88 W 9.40 4.96 0.00 3.42 3.35 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 89 E 8.60 5.02 0.00 2.18 2.14 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 2.57 2.36 0.00 90 P 0.00 4.21 0.00 2.18 2.06 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 91 S 8.16 4.20 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.42 5.02 1.03 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 0.00 0.00 135 E 9.64 4.20 0.00 1.96 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 0.00 2.36 2.32 0.00 136 N 7.22 5.09 0.00 2.90 2.91 0.00 0.00 6.37 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 0.00 137 R 8.54 3.40 0.00 1.99 1.95 0.00 3.34 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 138 A 7.87 3.84 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 0.00 139 E 8.37 3.29 0.00 1.84 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 1.47 1.79 0.00 140 A 7.18 3.86 0.88 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 0.00 141 N 7.95 4.38 0.00 2.74 2.78 0.00 0.00 7.11 7.62 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 0.00 142 R 7.73 4.07 0.00 1.68 1.86 0.00 3.05 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 143 F 7.73 4.34 0.00 3.11 2.76 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 *145 E 8.11 4.42 0.00 2.17 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 2.27 2.40 0.00 146 S 8.12 4.25 0.00 4.16 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 0.00 147 V 7.23 4.45 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 0.84 0.00 0.00 1.33 0.00 0.00 148 L 7.90 4.16 0.00 1.97 1.89 1.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.41 0.00 2.16 2.16 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 150 T 8.03 4.28 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 151 L 8.40 4.27 0.00 1.90 1.68 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.39 4.34 0.00 3.79 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 *154 L 7.86 3.71 0.00 1.95 1.87 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.18 4.12 0.00 2.03 2.00 0.00 1.23 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.20 1.68 7.81 156 D 7.64 4.35 0.00 2.60 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 0.00 157 Y 7.79 3.90 0.00 2.97 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 0.00 158 A 8.62 4.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.48 4.28 0.00 1.98 2.02 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 8.35 3.96 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 161 S 7.92 4.58 0.00 4.23 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 0.00 162 G 8.92 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 0.00 0.00 0.00 163 A 8.24 3.97 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 0.00 164 G 7.34 3.38 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 0.00 165 L 6.92 3.62 0.00 0.96 1.00 0.75 0.56 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 0.00 166 A 7.15 2.58 -0.69 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 0.00 0.00 167 F 7.09 4.94 0.00 2.96 2.91 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 0.00 168 E 8.09 4.16 0.00 2.06 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 2.25 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.