NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3488 8.1227 123.5862 52.2840 21.4302 178.6332 2 L 4.0330 7.6555 115.1075 57.3260 42.4280 177.9554 3 R 4.0038 8.7428 118.5994 58.8391 30.2353 178.0231 4 D 4.3840 7.9603 117.9840 57.0260 40.7097 178.4659 5 R 4.0953 7.6576 117.3821 59.2641 30.2582 179.1810 6 V 3.2065 7.6334 118.0148 65.5337 31.1476 177.8707 7 K 3.8619 7.4916 118.9456 59.2593 32.2215 177.7666 8 K 4.1646 7.7085 116.0726 57.1293 32.5899 176.5500 9 L 4.2938 7.3526 121.7618 55.2880 42.3775 176.3879 10 K 4.6936 9.3458 123.4268 55.6884 35.3547 175.7196 11 L 4.9477 7.7947 121.7297 53.2976 46.0460 174.1204 12 L 5.1439 9.0449 128.4550 53.4928 44.3418 175.9985 13 I 4.9114 8.3133 127.9025 59.8579 39.2284 174.8694 *15 D 4.8013 8.3177 122.3870 54.8833 41.6996 175.6145 16 I 4.1473 7.7783 119.1809 63.5203 38.1624 175.8308 17 D 4.5962 7.8264 119.6840 55.4975 41.2795 177.2861 18 G 4.3881 9.0550 111.4679 45.4690 0.0000 174.2723 19 V 3.9938 7.7256 116.4691 64.1465 33.2972 176.2195 20 L 4.4173 8.2819 118.5132 55.4484 42.6659 176.1922 21 T 4.7184 7.5007 114.1174 61.8158 72.3417 173.5559 22 D 4.7131 8.7469 120.2869 53.2372 39.7597 177.5190 23 G 3.9837 8.1793 108.9294 45.4329 0.0000 174.3178 24 K 4.0053 8.0137 119.3096 56.1483 32.6121 176.1643 25 L 4.6928 7.8601 122.0604 52.9894 44.4591 175.2746 26 Y 4.5073 8.2354 119.5927 56.2805 41.1253 174.1135 27 Y 6.0196 8.2995 120.6456 55.4888 41.0984 175.3375 28 T 4.2295 8.8005 121.9185 62.9993 69.7647 176.2029 29 E 4.1561 8.6965 130.2508 57.0818 27.3574 175.8918 *32 E 4.2483 7.5991 117.1458 55.9672 31.9369 176.1418 33 T 5.5215 8.1523 112.5632 63.1689 71.9466 174.0375 34 I 4.1054 8.7098 128.5175 60.4714 37.7360 175.8706 35 K 4.3345 8.7571 129.7374 56.0741 33.0135 176.4236 36 V 4.3821 8.4759 126.1459 59.7648 33.1979 174.5987 37 F 4.8814 8.5679 126.1589 55.8450 42.1683 173.3723 38 N 4.3205 7.5654 125.8621 52.6329 39.3737 175.7915 39 V 3.6381 8.3220 125.3883 66.1561 31.5589 177.9030 40 L 3.9868 7.8966 118.3176 57.7261 41.5316 179.1484 41 D 4.4709 7.8478 118.9904 57.1087 40.6956 179.0376 42 G 3.8484 8.0365 105.9953 47.8486 0.0000 175.7695 43 I 3.8619 7.7006 122.4928 64.0096 37.1383 178.5197 44 G 3.7457 8.4680 107.0490 48.0347 0.0000 175.6861 45 I 3.7570 7.9606 122.1299 64.1482 37.1965 178.7598 46 K 4.1734 8.0263 119.1963 59.3153 31.6122 179.1945 47 L 3.9625 7.9985 120.0675 58.2124 42.3208 178.8155 48 L 4.1619 8.0520 118.9326 57.6533 41.2759 179.5635 49 Q 4.0514 7.7502 117.0662 58.5100 28.9325 180.2096 50 K 4.2666 7.9352 120.2777 55.7595 32.1394 177.8313 *52 G 3.7911 7.8873 104.8075 45.1677 0.0000 172.9328 53 I 4.4593 7.5934 121.1424 59.5535 38.0973 176.1574 54 T 4.0284 8.4993 124.9604 63.5985 69.5433 173.4045 55 L 5.2486 8.4380 124.7220 53.0311 44.0327 175.6772 56 A 5.0618 8.7575 123.9489 50.2391 23.3547 174.7782 57 V 4.5649 8.9275 119.3226 61.1289 34.7847 174.5779 58 I 5.1873 8.5544 127.8480 59.6490 39.9831 174.7380 59 S 4.6785 9.0102 121.9320 56.3437 66.2508 175.4340 60 G 3.6436 8.9826 110.4514 49.3716 0.0000 173.5824 61 R 4.5371 7.8777 120.6253 55.1361 30.8784 175.3518 62 D 4.5232 8.4850 124.5976 54.0468 42.0168 175.7253 63 S 4.3995 8.2819 118.1433 56.4418 64.1609 173.4120 64 A 4.1684 8.7735 132.2976 54.7075 18.7195 177.6915 65 P 4.1107 0.0000 0.0000 65.8794 31.5613 176.9403 66 L 4.1034 7.5372 117.2441 54.7564 42.6787 176.4509 67 I 3.7703 8.5268 123.5248 63.0654 35.7480 176.4933 68 T 3.7830 7.3175 115.8901 66.5996 68.2196 176.6205 69 R 3.6602 7.4579 120.4613 59.4254 29.9855 178.4534 70 L 3.9167 7.7496 118.1277 57.8251 41.5187 179.5853 71 K 4.3809 8.1020 119.9727 58.9953 31.7264 179.2841 72 E 3.9647 7.9730 118.0730 59.2029 29.4711 178.7757 73 L 4.2659 7.7131 116.9406 55.0207 41.9995 177.6644 74 G 4.0462 7.4571 106.3437 44.9756 0.0000 174.1019 75 V 3.8126 8.4505 121.8580 62.6653 31.9639 176.0391 76 E 4.3680 8.7164 125.8263 57.5999 31.8182 176.2914 77 E 4.3654 7.9590 118.9367 55.7124 28.8190 174.5575 78 I 4.7771 7.6244 122.7266 59.3026 40.6614 174.1913 79 Y 4.7996 9.2612 124.6986 56.3999 40.9216 174.7135 80 T 5.2531 8.3141 113.9827 59.7088 71.8979 173.6232 81 G 3.9182 8.7393 112.9722 46.8708 0.0000 174.2092 *84 K 4.2211 7.6003 122.2454 54.3620 34.0746 177.4180 85 K 4.0938 7.9597 118.5222 58.3309 32.5183 177.7107 86 L 3.9218 8.7541 124.0405 56.5288 41.5179 176.1709 87 E 4.3746 7.8470 116.7515 61.2361 30.2181 183.9061 88 I 3.8189 7.5772 120.6017 63.9816 37.1145 177.5322 89 Y 4.1515 8.0495 120.0041 61.0664 38.6184 178.1814 90 E 3.7837 8.2096 118.6786 59.0135 29.4758 179.4116 91 K 3.9369 7.6471 118.7875 59.5017 32.1783 179.4548 92 I 3.8181 7.5848 119.9566 64.1857 36.9551 178.0784 93 K 3.6904 7.8753 120.7734 59.8262 31.9050 178.2971 94 E 3.9030 8.1629 119.1773 59.0040 29.3358 178.4878 95 K 3.8852 8.1884 119.0879 58.9787 32.3109 177.3779 96 Y 4.3287 7.9446 113.6943 56.3228 39.5275 175.7356 97 S 3.6784 7.5115 115.3215 59.8854 60.8096 170.9474 98 L 4.9630 8.1569 118.8544 52.7876 45.2451 177.0736 99 K 4.5065 9.2352 120.0336 55.1116 33.8092 178.0002 100 D 4.8344 9.0420 119.8031 57.0362 40.7834 179.0925 101 E 4.1613 8.2500 114.9765 58.3575 29.8342 177.1013 102 E 4.7253 8.0784 117.8474 55.7503 30.8453 175.1544 103 I 4.9851 7.6558 120.3380 59.6606 39.8605 174.8952 104 G 4.7820 9.3492 112.5867 44.6759 0.0000 171.8135 105 F 5.1870 8.9755 122.2085 56.5085 43.1054 172.8010 106 I 4.7926 8.3528 127.5515 59.4321 38.6015 174.7438 107 G 4.4860 9.1993 116.4819 44.2995 0.0000 172.0167 108 D 4.7602 9.0225 118.2146 53.3045 42.5390 174.2325 109 D 5.0450 8.0240 114.7691 52.0380 44.4757 176.3300 110 V 3.7265 8.3178 117.5192 63.9144 31.8641 178.6074 111 V 3.7126 8.2137 119.1208 65.0930 31.5838 177.1993 112 D 4.2367 7.8275 119.0627 56.3297 40.3910 178.3462 113 I 3.6085 7.0122 120.2470 64.4870 37.1924 177.7283 114 E 4.0432 7.9467 117.6192 59.1104 29.4936 179.0322 115 V 3.5234 7.0244 118.3891 62.7380 30.8352 177.6547 *117 K 4.2392 8.0712 119.3285 55.6958 33.9191 177.5213 118 K 4.1377 7.2033 117.4561 58.8166 32.3613 178.3208 119 V 4.1557 7.2308 110.5261 60.9203 32.1017 176.6129 120 G 3.7483 8.7724 110.6497 48.4678 0.0000 173.7788 121 F 5.3952 8.2158 122.2740 55.6455 39.0567 171.7741 122 P 4.9909 0.0000 0.0000 62.1609 33.3550 176.5219 123 V 4.7639 9.2714 123.0745 60.9002 34.8565 173.8504 124 A 5.2699 8.4053 128.3535 49.0315 22.2052 175.7614 125 V 3.8515 8.4755 120.7208 63.0928 32.6241 176.8673 126 R 3.7456 7.9879 128.0128 59.1341 29.8861 176.6178 127 N 4.6775 7.5857 113.8455 52.2633 37.7394 175.1058 128 A 4.2000 7.6206 122.2866 52.1326 19.3454 178.9796 129 V 3.7216 8.1594 120.5520 61.8035 33.2803 177.1174 130 E 3.9216 8.8831 121.3511 59.4999 29.0826 179.1290 131 E 3.9168 8.0628 117.5174 59.3622 29.7985 178.9431 132 V 3.6933 7.6618 117.5414 66.1626 31.5744 178.1039 133 R 3.9053 7.7759 117.5889 59.0052 30.0286 178.8249 134 K 4.1099 8.0625 115.4128 58.4799 32.8259 177.8199 135 V 3.8523 7.3661 118.0967 63.6128 32.0016 175.7264 136 A 4.4854 7.3728 122.6458 51.5620 19.3329 177.6191 137 V 4.0361 8.3478 120.8235 63.5762 32.7497 175.9179 138 Y 4.9383 7.7371 121.8396 55.7659 42.3754 173.6270 139 I 4.8474 7.5529 126.3303 59.3481 39.6210 175.6302 140 T 3.9974 8.0239 117.3531 61.5215 69.1213 175.0674 141 Q 4.0736 9.7799 122.6263 58.1175 29.1867 177.0611 142 R 4.6894 7.4732 115.1208 53.7478 31.5834 176.0413 143 N 4.5570 8.6621 118.9319 52.4041 39.4237 174.6524 144 G 4.3132 7.7714 108.3310 46.9344 0.0000 174.0082 145 G 3.9727 9.1140 113.8291 44.5724 0.0000 173.5479 146 E 4.2970 7.8013 116.5535 55.9437 30.0768 176.7156 147 G 4.2189 8.0792 109.3933 45.7320 0.0000 176.4840 148 A 3.9970 8.3819 123.8219 54.6782 18.4970 179.5556 149 L 3.9445 7.9544 118.5020 58.2585 42.2719 178.9804 150 R 3.9206 8.1128 118.2905 59.3381 30.0581 177.9490 151 E 4.4009 8.0210 120.4676 58.7291 29.6303 179.0086 152 V 3.7136 7.8592 117.7648 65.8379 31.6715 177.8602 153 A 4.0153 8.1776 120.5569 55.1512 18.1174 179.1883 154 E 3.9390 8.6238 117.5216 59.6352 29.5991 179.4981 155 L 3.9273 7.9842 119.8919 58.2140 41.9435 178.8996 156 I 3.5400 7.4678 118.3092 64.7516 36.8378 177.5270 157 H 4.2588 8.0968 118.4324 59.3209 29.4458 177.0904 158 F 4.0655 8.1585 121.5463 60.8186 39.3316 176.2846 159 L 4.2938 7.8325 115.8711 55.0939 41.7409 177.0070 160 K 4.0971 7.3917 123.2108 56.3926 32.2157 176.1111 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 A 8.12 4.35 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 2 L 7.66 4.03 0.00 1.92 1.71 1.19 0.67 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 3 R 8.74 4.00 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 4 D 7.96 4.38 0.00 2.84 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 5 R 7.66 4.10 0.00 2.13 2.23 0.00 3.29 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 6 V 7.63 3.21 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 0.86 0.00 0.00 0.34 0.00 0.00 7 K 7.49 3.86 0.00 1.90 1.93 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 K 7.71 4.16 0.00 1.99 1.83 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 9 L 7.35 4.29 0.00 1.48 1.61 1.13 0.46 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 10 K 9.35 4.69 0.00 1.66 1.75 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.52 7.81 11 L 7.79 4.95 0.00 1.55 1.40 0.34 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.04 5.14 0.00 1.80 1.52 1.05 0.90 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 13 I 8.31 4.91 1.64 0.00 0.00 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 1.29 1.74 0.76 0.00 0.00 *15 D 8.32 4.80 0.00 2.70 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 16 I 7.78 4.15 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.96 0.00 0.00 17 D 7.83 4.60 0.00 2.69 2.63 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 18 G 9.05 4.39 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 0.00 19 V 7.73 3.99 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 0.87 0.00 0.00 0.93 0.00 0.00 20 L 8.28 4.42 0.00 2.00 1.76 0.95 0.62 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 21 T 7.50 4.72 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 1.28 0.00 0.00 22 D 8.75 4.71 0.00 2.75 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 23 G 8.18 3.98 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 0.00 0.00 0.00 24 K 8.01 4.01 0.00 1.86 1.25 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.34 7.81 25 L 7.86 4.69 0.00 1.14 0.75 0.99 0.80 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 26 Y 8.24 4.51 0.00 2.92 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 27 Y 8.30 6.02 0.00 2.84 2.80 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 28 T 8.80 4.23 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 1.25 0.00 0.00 29 E 8.70 4.16 0.00 2.24 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 2.31 1.88 0.00 *32 E 7.60 4.25 0.00 1.92 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 2.21 1.91 0.00 33 T 8.15 5.52 4.39 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 1.46 0.00 0.00 34 I 8.71 4.11 1.89 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 1.10 0.39 0.79 0.00 0.00 35 K 8.76 4.33 0.00 1.80 1.73 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.40 7.81 36 V 8.48 4.38 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 0.93 0.00 0.00 0.92 0.00 0.00 37 F 8.57 4.88 0.00 2.91 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 38 N 7.57 4.32 0.00 2.60 2.43 0.00 0.00 6.83 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 39 V 8.32 3.64 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 1.02 0.00 0.00 0.96 0.00 0.00 40 L 7.90 3.99 0.00 1.80 1.66 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.85 4.47 0.00 2.33 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 42 G 8.04 3.85 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 0.00 0.00 0.00 43 I 7.70 3.86 2.01 0.00 0.00 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 1.69 0.92 0.91 0.00 0.00 44 G 8.47 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.76 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.94 0.00 0.00 46 K 8.03 4.17 0.00 1.95 1.87 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.61 7.81 47 L 8.00 3.96 0.00 1.87 1.85 0.87 1.32 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 48 L 8.05 4.16 0.00 1.93 1.71 1.00 0.88 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 49 Q 7.75 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.64 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 50 K 7.94 4.27 0.00 1.96 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 *52 G 7.89 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 0.00 0.00 0.00 53 I 7.59 4.46 2.02 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 1.21 0.63 0.91 0.00 0.00 54 T 8.50 4.03 3.94 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 0.00 0.00 0.00 0.85 0.00 0.00 55 L 8.44 5.25 0.00 1.50 1.56 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.76 5.06 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 57 V 8.93 4.56 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 1.09 0.00 0.00 0.95 0.00 0.00 58 I 8.55 5.19 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 1.04 0.00 0.00 59 S 9.01 4.68 0.00 3.90 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 60 G 8.98 3.64 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 0.00 0.00 0.00 61 R 7.88 4.54 0.00 1.81 2.03 0.00 3.26 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 62 D 8.49 4.52 0.00 2.70 2.56 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 0.00 63 S 8.28 4.40 0.00 3.83 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 64 A 8.77 4.17 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 65 P 0.00 4.11 0.00 2.26 2.34 0.00 3.62 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 2.11 2.04 0.00 66 L 7.54 4.10 0.00 1.69 1.70 1.04 1.13 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 67 I 8.53 3.77 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.89 0.00 0.00 68 T 7.32 3.78 4.40 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 1.23 0.00 0.00 69 R 7.46 3.66 0.00 1.53 1.44 0.00 2.86 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 70 L 7.75 3.92 0.00 1.73 1.68 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.10 4.38 0.00 2.00 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 72 E 7.97 3.96 0.00 2.08 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 2.31 2.45 0.00 73 L 7.71 4.27 0.00 1.76 1.72 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.46 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.45 3.81 2.15 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 1.01 0.00 0.00 0.98 0.00 0.00 76 E 8.72 4.37 0.00 2.00 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 2.20 2.50 0.00 77 E 7.96 4.37 0.00 2.18 2.18 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 2.61 2.51 0.00 78 I 7.62 4.78 1.77 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 0.58 0.88 0.00 0.00 79 Y 9.26 4.80 0.00 3.00 2.90 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 0.00 0.00 0.00 80 T 8.31 5.25 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 1.30 0.00 0.00 81 G 8.74 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 *84 K 7.60 4.22 0.00 1.72 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 85 K 7.96 4.09 0.00 1.71 1.77 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.47 7.81 86 L 8.75 3.92 0.00 1.73 1.84 0.91 0.93 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 87 E 7.85 4.37 0.00 2.00 1.92 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 2.19 2.21 0.00 88 I 7.58 3.82 1.82 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 1.49 0.63 0.28 0.00 0.00 89 Y 8.05 4.15 0.00 2.98 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 90 E 8.21 3.78 0.00 2.16 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 2.65 2.39 0.00 91 K 7.65 3.94 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.63 7.81 92 I 7.58 3.82 1.82 0.00 0.00 0.75 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 0.75 1.02 0.00 0.00 93 K 7.88 3.69 0.00 1.24 1.71 0.00 1.47 0.00 0.00 1.13 0.00 0.00 2.88 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.32 1.45 7.81 94 E 8.16 3.90 0.00 2.20 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 2.29 2.34 0.00 95 K 8.19 3.89 0.00 1.95 2.02 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.05 1.37 7.81 96 Y 7.94 4.33 0.00 3.10 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 97 S 7.51 3.68 0.00 4.00 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 98 L 8.16 4.96 0.00 1.60 1.66 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.24 4.51 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 100 D 9.04 4.83 0.00 2.82 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 0.00 101 E 8.25 4.16 0.00 2.11 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 0.00 2.31 2.37 0.00 102 E 8.08 4.73 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 2.28 2.25 0.00 103 I 7.66 4.99 2.16 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 1.34 1.43 1.23 0.00 0.00 104 G 9.35 4.78 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 0.00 105 F 8.98 5.19 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.79 1.84 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 1.14 1.02 0.88 0.00 0.00 107 G 9.20 4.49 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 0.00 0.00 0.00 108 D 9.02 4.76 0.00 2.73 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 0.00 109 D 8.02 5.05 0.00 2.69 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 0.00 110 V 8.32 3.73 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 0.88 0.00 0.00 0.92 0.00 0.00 111 V 8.21 3.71 2.15 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 0.75 0.00 0.00 0.99 0.00 0.00 112 D 7.83 4.24 0.00 2.76 2.36 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 0.00 113 I 7.01 3.61 1.90 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 1.51 0.40 0.84 0.00 0.00 114 E 7.95 4.04 0.00 2.10 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 0.00 2.23 2.24 0.00 115 V 7.02 3.52 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 0.09 0.00 0.00 0.65 0.00 0.00 *117 K 8.07 4.24 0.00 1.89 1.83 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.55 7.81 118 K 7.20 4.14 0.00 1.54 1.85 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81 119 V 7.23 4.16 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 0.58 0.00 0.00 0.98 0.00 0.00 120 G 8.77 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.22 5.40 0.00 3.10 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 0.00 122 P 0.00 4.99 0.00 2.10 2.12 0.00 3.71 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 2.17 1.94 0.00 123 V 9.27 4.76 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 1.07 0.00 0.00 0.36 0.00 0.00 124 A 8.41 5.27 1.16 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 0.00 125 V 8.48 3.85 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 1.01 0.00 0.00 0.91 0.00 0.00 126 R 7.99 3.75 0.00 2.00 2.04 0.00 3.28 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 127 N 7.59 4.68 0.00 2.95 2.86 0.00 0.00 7.10 7.14 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 0.00 128 A 7.62 4.20 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 0.00 129 V 8.16 3.72 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 0.76 0.00 0.00 0.91 0.00 0.00 130 E 8.88 3.92 0.00 2.07 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 2.36 2.46 0.00 131 E 8.06 3.92 0.00 1.95 1.97 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 2.30 2.30 0.00 132 V 7.66 3.69 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 1.05 0.00 0.00 0.95 0.00 0.00 133 R 7.78 3.91 0.00 2.15 1.91 0.00 3.12 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 134 K 8.06 4.11 0.00 1.85 1.91 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.35 7.81 135 V 7.37 3.85 2.15 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 0.70 0.00 0.00 0.93 0.00 0.00 136 A 7.37 4.49 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 0.00 137 V 8.35 4.04 2.15 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 0.80 0.00 0.00 1.04 0.00 0.00 138 Y 7.74 4.94 0.00 3.05 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 0.00 139 I 7.55 4.85 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.79 0.00 0.00 140 T 8.02 4.00 4.47 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 1.23 0.00 0.00 141 Q 9.78 4.07 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 142 R 7.47 4.69 0.00 1.89 1.82 0.00 3.28 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 143 N 8.66 4.56 0.00 2.87 2.74 0.00 0.00 6.96 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 0.00 144 G 7.77 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 0.00 145 G 9.11 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 0.00 146 E 7.80 4.30 0.00 2.12 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 0.00 2.45 2.22 0.00 147 G 8.08 4.22 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 0.00 148 A 8.38 4.00 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 0.00 149 L 7.95 3.94 0.00 1.69 1.86 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.11 3.92 0.00 2.05 2.08 0.00 3.22 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 151 E 8.02 4.40 0.00 2.08 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 0.00 2.51 2.26 0.00 152 V 7.86 3.71 2.32 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 1.18 0.00 0.00 1.15 0.00 0.00 153 A 8.18 4.02 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 0.00 154 E 8.62 3.94 0.00 2.22 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 2.36 2.48 0.00 155 L 7.98 3.93 0.00 1.69 1.70 0.68 -0.03 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 0.00 156 I 7.47 3.54 1.86 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 1.09 0.76 0.81 0.00 0.00 157 H 8.10 4.26 0.00 3.28 3.57 0.00 5.59 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 0.00 158 F 8.16 4.07 0.00 3.16 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 0.00 159 L 7.83 4.29 0.00 1.86 1.63 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.39 4.10 0.00 1.67 1.62 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.