NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2466 8.2544 119.7142 55.5912 31.4605 174.7031 3 I 3.2951 8.2991 121.9302 60.9211 37.6509 174.3184 4 D 4.6596 8.4133 129.8845 53.8359 40.9071 175.7334 5 Y 4.7428 8.0734 122.9178 57.1513 39.3998 177.4277 6 I 3.4039 6.8158 122.0392 64.5629 37.1045 177.5037 7 E 3.9473 7.9967 119.1349 58.8542 29.5389 176.7165 8 P 4.3074 0.0000 0.0000 65.5455 31.3266 178.2618 9 F 4.2060 9.1011 119.7360 61.4364 39.3629 177.1127 10 L 3.8253 8.1199 118.5067 57.9127 41.3952 179.3528 11 D 4.3342 8.4751 118.8101 57.2311 40.7429 178.7647 12 A 3.9488 8.3513 121.2998 54.9778 18.5515 179.4997 13 A 3.6751 7.8468 119.7407 55.2107 18.4485 180.0486 14 S 3.5507 7.8344 112.7129 61.4356 63.2198 176.4688 15 S 3.9913 8.0502 117.0806 60.9704 61.9149 176.3946 16 V 3.5457 7.5496 119.4793 65.9024 31.3689 177.6001 17 L 4.0269 7.2899 117.1792 57.9951 41.5276 179.5493 18 R 4.0656 7.6317 116.6433 58.8936 29.9593 177.6546 19 D 4.6904 7.3806 114.9511 53.6989 41.1197 175.5683 *21 L 3.9506 7.4192 117.0509 54.8448 42.2646 177.1559 22 L 4.5154 8.2011 125.2509 52.8774 40.5438 174.6064 23 V 4.3375 7.6129 112.8970 58.7840 34.9230 175.2495 24 E 3.8238 8.7889 124.6354 59.1129 29.1852 175.9182 25 N 4.3555 8.5494 121.8705 53.7119 35.8616 172.5782 26 I 4.4190 7.7608 121.1362 59.2718 38.3315 174.5031 27 E 4.4311 9.1414 135.0000 56.2457 31.7090 174.2336 *29 G 3.4717 8.3336 104.1715 45.6860 0.0000 170.8843 30 K 4.2624 8.4441 122.2359 54.5681 32.2943 175.8093 31 P 4.4943 0.0000 0.0000 62.7780 32.0925 176.1224 32 G 4.2306 8.8159 110.4184 43.6593 0.0000 173.5936 33 L 4.0177 8.5159 122.5964 56.6241 42.4712 177.1633 34 K 4.5458 7.3094 117.9672 54.9023 34.9984 174.5536 35 S 3.8887 7.7913 121.3369 54.1848 66.7628 177.1052 36 I 5.0417 7.5749 112.9352 60.0210 36.1853 176.9227 *41 K 5.0706 7.8995 119.5057 56.0194 33.1211 172.7762 42 G 3.7875 7.8930 102.7583 44.3644 0.0000 172.9200 43 V 4.5852 8.2293 112.4919 59.8320 36.2985 174.9928 44 S 5.2342 8.6275 117.0773 57.0090 67.6267 173.3960 45 V 4.9170 9.0674 124.5352 61.2839 34.0145 174.3353 46 I 4.9613 8.7495 127.7425 59.4928 40.6390 174.4606 47 V 4.6092 8.9295 127.3000 60.8219 34.1391 175.0327 48 G 4.1261 8.8221 115.7070 46.1730 0.0000 171.7782 49 L 5.3472 8.8347 122.7794 52.8436 44.2288 175.6618 50 A 4.8821 9.3179 125.1839 49.4006 22.9512 174.8517 51 G 4.0152 8.8700 103.4371 44.5452 0.0000 176.0891 52 S 4.1579 8.4146 116.7836 60.6571 62.9727 174.9491 53 V 4.5428 7.7585 111.7690 59.5226 33.5552 174.7781 54 E 4.9444 8.7468 121.9425 53.9035 32.7201 176.2548 55 G 4.3230 7.9340 108.8656 47.3194 0.0000 171.2338 56 S 4.9816 7.2713 113.0848 57.9436 66.2439 174.7951 57 I 4.8949 8.6453 121.8329 59.6246 40.0601 174.7896 58 I 5.0847 9.1432 127.8229 59.4879 40.7664 174.4440 59 I 5.0833 8.8459 127.5306 59.7385 39.6995 174.5379 60 D 5.8219 9.2097 125.8579 51.2596 45.4771 174.6367 *62 D 4.4971 8.3712 118.6950 52.9232 40.8204 176.5176 63 I 3.3479 8.1362 119.5722 64.4939 36.8907 178.1280 64 E 3.9522 8.0906 119.3937 59.7833 29.4311 178.9449 65 T 3.9580 8.8481 115.8591 66.3734 68.3877 176.6117 66 A 4.0678 8.2968 123.0563 55.2575 18.3850 179.7478 67 L 4.0441 8.1695 117.5223 57.7436 41.6629 179.3605 68 F 4.0622 8.3980 120.6278 61.3622 39.3903 177.2657 69 V 3.5334 8.3886 117.7972 66.0880 31.4740 177.7757 70 A 4.0506 8.2895 120.5804 55.2332 18.2908 179.7737 71 S 4.5029 8.4379 115.3556 61.2698 62.3949 177.1223 72 K 3.5466 7.7443 121.1013 59.3057 31.5037 179.4793 73 L 3.8418 7.6635 117.9149 56.6371 41.6323 178.1147 74 N 4.8131 7.7288 113.6550 51.7122 39.9284 174.4353 75 F 3.6409 6.8529 117.9361 57.3018 37.5356 175.1728 76 E 4.5426 7.4026 113.8250 55.0861 32.6661 174.8199 77 E 4.1308 8.5539 122.9233 56.2142 30.2015 175.4495 78 Y 4.9081 8.5938 124.1855 56.5101 40.2669 174.9916 79 D 4.9216 8.9209 121.6331 52.7013 40.9681 175.5292 80 D 4.6766 7.7862 119.6316 52.2453 41.4970 175.1575 81 F 4.2382 8.7756 126.1675 59.7900 39.6794 175.2431 82 D 4.5118 7.6509 117.1267 54.3998 41.3049 175.8387 83 D 4.4997 7.8681 121.1117 53.5030 41.7036 176.9208 84 E 4.0391 8.7627 125.7076 58.0726 29.5496 177.1465 85 E 4.5504 8.9253 115.7119 56.2675 31.5075 178.4132 86 T 3.4661 8.0578 115.8024 66.1171 69.0963 175.6879 87 K 3.5120 7.9744 122.7212 59.2216 32.4274 178.2712 88 E 3.7341 7.3452 115.2276 57.3232 29.3068 178.0686 *90 V 3.7450 7.9070 117.7028 62.7247 33.3841 177.1815 91 A 2.5800 7.5209 120.8950 54.7316 17.8518 179.4882 92 A 3.8437 7.6773 119.0014 55.3937 18.3273 180.1530 93 T 3.8628 7.5682 113.7645 66.8647 68.8010 177.0337 94 L 4.0750 7.9797 121.2204 57.9716 41.5562 179.7274 95 T 4.0227 8.1606 109.9665 64.7614 68.6484 176.2929 96 E 3.9484 8.0112 122.2132 58.8424 29.5957 178.9266 97 V 3.6925 7.8288 118.7546 65.7840 31.5138 178.2394 98 G 3.6452 8.1296 105.4896 47.8980 0.0000 175.0295 99 N 4.3546 8.5213 120.2052 56.5736 38.8732 177.0211 100 I 3.7926 8.0133 121.1474 64.1747 37.1190 178.4513 101 I 3.6770 7.9823 120.4956 64.4327 36.9451 178.2695 102 A 4.3081 8.5017 122.0684 55.1847 18.1998 179.9898 103 G 3.5703 8.5042 104.3794 48.1985 0.0000 175.7829 104 N 4.4275 8.4362 119.5813 55.7495 38.2536 177.1880 105 F 4.2730 8.3944 121.5969 61.6430 40.0335 177.5557 106 V 3.2468 8.2101 111.8372 64.1747 31.1753 178.8368 107 T 4.0403 7.8489 116.3648 66.4481 68.0658 176.0675 108 T 4.1970 7.3904 107.8274 62.3996 68.9952 174.9383 109 L 4.0004 7.2628 121.1836 55.3766 42.6191 176.5292 110 H 4.7497 7.6986 116.1859 55.2663 27.1476 175.2645 111 A 4.6982 7.5670 118.0070 52.0166 20.9583 176.0739 112 K 4.7950 8.4462 114.6437 54.4952 35.8879 175.6747 113 G 4.2692 8.7584 107.7925 46.3548 0.0000 174.8752 114 F 4.8219 7.9565 120.4093 56.4552 38.4438 176.1694 115 V 4.2125 6.9814 121.6354 61.6168 34.9462 173.3869 116 F 5.0426 8.6890 122.0492 56.1282 41.9211 173.8713 117 D 5.2504 9.1604 123.8283 52.5127 44.1253 175.2618 118 I 5.3335 8.2240 112.4831 59.6520 41.0520 174.2849 119 T 4.6838 8.1909 113.0141 59.0261 71.2642 172.5094 120 P 4.4436 0.0000 0.0000 61.9162 31.9039 174.7835 121 P 4.9772 0.0000 0.0000 62.6623 32.7835 175.0352 122 A 4.9365 8.8993 121.7575 50.0929 22.4336 174.8403 123 F 5.2906 8.9408 122.4934 56.5221 41.8819 174.6439 124 I 4.2088 8.7391 127.6243 59.9082 39.5347 173.9062 125 Y 4.5167 7.2720 126.7144 55.4641 41.1383 175.4017 126 G 4.1053 8.6841 104.9689 46.8908 0.0000 173.3339 127 E 4.5515 7.3648 116.9885 53.9380 31.9090 176.8527 128 N 4.1127 8.4736 117.7789 55.6207 37.9594 175.0671 *130 K 3.9741 7.7068 120.3033 55.4242 31.8477 175.5458 131 I 3.7520 8.2729 116.3818 62.3912 37.5694 176.1286 132 S 4.2249 7.5795 118.4092 58.1239 60.7244 174.7194 133 N 4.6306 8.5009 128.8290 51.9582 38.0674 175.1356 134 K 4.2518 8.3103 116.9614 56.9102 34.8522 176.4393 135 G 4.2177 8.2295 115.8447 42.6619 0.0000 171.9089 136 S 5.5271 7.9257 110.4985 58.3460 65.0498 177.5022 137 E 3.8871 10.0714 122.3977 53.9581 27.7194 175.8628 138 A 5.1422 8.3668 126.4592 50.1844 22.2164 175.8489 139 L 4.3043 8.2781 122.4040 54.4342 45.5639 174.1381 140 I 4.7468 8.6609 128.1822 59.6803 39.7154 175.2207 141 V 4.4973 8.7492 126.2614 60.3611 34.0811 172.4023 142 P 4.9200 0.0000 0.0000 62.2510 32.6478 175.4119 143 F 4.9627 9.5176 122.0469 55.8443 41.9334 174.3258 144 S 5.1170 9.2087 120.5433 57.2827 64.3842 173.5985 145 L 4.7336 9.3688 124.7730 53.6119 43.2089 176.8559 146 P 4.1855 0.0000 0.0000 65.6743 32.1449 175.8885 147 D 4.6987 7.5142 118.6486 52.2669 41.5812 176.7053 148 G 3.5717 8.4425 106.6789 47.2442 0.0000 173.7943 149 K 3.8708 7.5415 120.6106 57.1622 32.9141 175.8103 150 I 4.9445 8.3635 125.6820 59.4989 39.7849 175.0756 151 I 4.5639 8.9032 127.2537 59.6205 40.1858 174.1665 152 E 5.0890 9.0874 127.0497 54.6390 32.0016 175.0779 153 V 4.8847 8.9204 124.5618 61.2689 34.1462 173.9714 154 N 5.6797 9.6743 125.2463 51.4605 42.2941 173.2675 155 I 4.6955 8.2934 121.9582 58.9763 41.4603 173.7554 156 A 5.5164 8.7480 130.6613 49.4948 21.1090 174.8173 157 I 4.3355 8.0505 121.9012 60.2468 38.9477 176.4223 158 R 4.2634 9.5398 126.7132 62.1371 28.8297 176.2708 159 E 4.1416 7.0199 123.8249 55.7095 28.9218 177.3056 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 R 8.25 4.25 0.00 1.86 1.99 0.00 3.22 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 3 I 8.30 3.30 1.62 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 1.40 0.64 0.96 0.00 0.00 4 D 8.41 4.66 0.00 2.65 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 5 Y 8.07 4.74 0.00 3.64 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 6 I 6.82 3.40 1.65 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.79 0.84 0.00 0.00 7 E 8.00 3.95 0.00 2.01 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 2.53 2.41 0.00 8 P 0.00 4.31 0.00 2.54 2.09 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 9 F 9.10 4.21 0.00 2.99 3.32 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 10 L 8.12 3.83 0.00 1.89 1.72 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.48 4.33 0.00 2.85 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 12 A 8.35 3.95 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 13 A 7.85 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.83 3.55 0.00 4.12 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 15 S 8.05 3.99 0.00 4.05 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 16 V 7.55 3.55 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 0.86 0.00 0.00 0.95 0.00 0.00 17 L 7.29 4.03 0.00 1.36 1.52 0.22 0.69 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 18 R 7.63 4.07 0.00 1.75 1.97 0.00 3.14 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 19 D 7.38 4.69 0.00 2.91 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 *21 L 7.42 3.95 0.00 1.82 1.64 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.20 4.52 0.00 1.66 1.65 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.61 4.34 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 0.78 0.00 0.00 1.02 0.00 0.00 24 E 8.79 3.82 0.00 1.97 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 2.34 2.30 0.00 25 N 8.55 4.36 0.00 2.84 3.41 0.00 0.00 6.97 7.12 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 26 I 7.76 4.42 1.89 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 1.24 0.80 0.91 0.00 0.00 27 E 9.14 4.43 0.00 2.11 1.64 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 2.24 2.31 0.00 *29 G 8.33 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 0.00 0.00 0.00 30 K 8.44 4.26 0.00 1.68 1.69 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81 31 P 0.00 4.49 0.00 2.05 1.96 0.00 3.66 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 1.98 1.99 0.00 32 G 8.82 4.23 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 0.00 33 L 8.52 4.02 0.00 1.59 1.71 0.95 0.50 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 34 K 7.31 4.55 0.00 1.66 1.59 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.47 7.81 35 S 7.79 3.89 0.00 3.91 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 36 I 7.57 5.04 1.85 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 1.42 0.69 0.93 0.00 0.00 *41 K 7.90 5.07 0.00 1.77 1.84 0.00 1.80 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.35 7.81 42 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 43 V 8.23 4.59 1.73 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 0.96 0.00 0.00 1.01 0.00 0.00 44 S 8.63 5.23 0.00 3.79 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 45 V 9.07 4.92 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 1.15 0.00 0.00 1.20 0.00 0.00 46 I 8.75 4.96 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 1.12 0.62 0.93 0.00 0.00 47 V 8.93 4.61 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 1.11 0.00 0.00 1.00 0.00 0.00 48 G 8.82 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 49 L 8.83 5.35 0.00 1.72 1.66 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.32 4.88 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 51 G 8.87 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 52 S 8.41 4.16 0.00 4.23 3.69 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 53 V 7.76 4.54 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 1.00 0.00 0.00 1.14 0.00 0.00 54 E 8.75 4.94 0.00 1.99 1.81 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 2.29 2.28 0.00 55 G 7.93 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 0.00 0.00 0.00 0.00 56 S 7.27 4.98 0.00 3.93 3.91 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 57 I 8.65 4.89 1.93 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 1.09 0.82 1.06 0.00 0.00 58 I 9.14 5.08 1.88 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 1.23 0.68 1.04 0.00 0.00 59 I 8.85 5.08 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 1.31 0.80 0.97 0.00 0.00 60 D 9.21 5.82 0.00 2.56 2.50 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 *62 D 8.37 4.50 0.00 2.84 2.82 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 63 I 8.14 3.35 1.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.62 0.00 0.00 64 E 8.09 3.95 0.00 2.02 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 2.38 2.43 0.00 65 T 8.85 3.96 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 1.25 0.00 0.00 66 A 8.30 4.07 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 67 L 8.17 4.04 0.00 1.98 2.05 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.40 4.06 0.00 3.25 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 69 V 8.39 3.53 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 0.97 0.00 0.00 1.11 0.00 0.00 70 A 8.29 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.50 0.00 3.87 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 72 K 7.74 3.55 0.00 1.56 1.48 0.00 1.36 0.00 0.00 1.23 0.00 0.00 2.19 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.70 0.91 7.81 73 L 7.66 3.84 0.00 1.57 1.68 0.90 0.71 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 74 N 7.73 4.81 0.00 2.95 2.93 0.00 0.00 7.13 7.19 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 75 F 6.85 3.64 0.00 3.13 3.06 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 76 E 7.40 4.54 0.00 1.94 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 1.74 1.47 0.00 77 E 8.55 4.13 0.00 1.86 1.80 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 2.26 2.31 0.00 78 Y 8.59 4.91 0.00 3.00 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 79 D 8.92 4.92 0.00 2.78 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 80 D 7.79 4.68 0.00 2.76 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 81 F 8.78 4.24 0.00 2.99 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 82 D 7.65 4.51 0.00 2.92 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 83 D 7.87 4.50 0.00 2.67 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 84 E 8.76 4.04 0.00 1.94 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 2.23 2.25 0.00 85 E 8.93 4.55 0.00 1.99 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 2.16 2.21 0.00 86 T 8.06 3.47 4.23 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 1.07 0.00 0.00 87 K 7.97 3.51 0.00 1.45 1.45 0.00 1.24 0.00 0.00 1.27 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 0.21 7.81 88 E 7.35 3.73 0.00 1.95 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 0.00 2.21 2.17 0.00 *90 V 7.91 3.75 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 1.09 0.00 0.00 0.82 0.00 0.00 91 A 7.52 2.58 0.57 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 92 A 7.68 3.84 1.31 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 93 T 7.57 3.86 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 1.21 0.00 0.00 94 L 7.98 4.08 0.00 1.81 1.86 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.16 4.02 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 1.43 0.00 0.00 96 E 8.01 3.95 0.00 2.17 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 2.32 2.37 0.00 97 V 7.83 3.69 2.29 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 0.95 0.00 0.00 0.95 0.00 0.00 98 G 8.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.52 4.35 0.00 2.82 3.15 0.00 0.00 7.29 7.64 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 0.00 100 I 8.01 3.79 2.00 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 1.54 0.62 0.92 0.00 0.00 101 I 7.98 3.68 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.88 0.00 0.00 102 A 8.50 4.31 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 0.00 103 G 8.50 3.57 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 0.00 104 N 8.44 4.43 0.00 3.00 2.93 0.00 0.00 6.72 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 0.00 105 F 8.39 4.27 0.00 3.12 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 0.00 106 V 8.21 3.25 2.30 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 1.01 0.00 0.00 1.11 0.00 0.00 107 T 7.85 4.04 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 1.25 0.00 0.00 108 T 7.39 4.20 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 1.24 0.00 0.00 109 L 7.26 4.00 0.00 1.28 0.13 -0.43 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.70 4.75 0.00 3.25 3.41 0.00 5.50 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 0.00 111 A 7.57 4.70 1.21 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 0.00 112 K 8.45 4.80 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.16 7.81 113 G 8.76 4.27 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 0.00 114 F 7.96 4.82 0.00 1.81 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 0.00 0.00 0.00 115 V 6.98 4.21 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 0.55 0.00 0.00 0.93 0.00 0.00 116 F 8.69 5.04 0.00 2.86 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 0.00 117 D 9.16 5.25 0.00 2.63 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 0.00 118 I 8.22 5.33 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 1.04 0.00 0.00 119 T 8.19 4.68 4.27 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 1.28 0.00 0.00 120 P 0.00 4.44 0.00 2.09 2.05 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 121 P 0.00 4.98 0.00 2.15 2.10 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 122 A 8.90 4.94 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 0.00 123 F 8.94 5.29 0.00 3.03 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 0.00 124 I 8.74 4.21 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.79 0.00 0.00 125 Y 7.27 4.52 0.00 3.09 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 0.00 126 G 8.68 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 0.00 127 E 7.36 4.55 0.00 2.10 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 2.12 2.20 0.00 128 N 8.47 4.11 0.00 2.82 2.95 0.00 0.00 5.97 7.13 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 *130 K 7.71 3.97 0.00 2.19 1.77 0.00 1.69 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.40 7.81 131 I 8.27 3.75 1.85 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 1.39 0.90 0.89 0.00 0.00 132 S 7.58 4.22 0.00 3.92 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 0.00 133 N 8.50 4.63 0.00 2.80 2.85 0.00 0.00 6.22 7.13 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 0.00 134 K 8.31 4.25 0.00 1.82 1.79 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.40 7.81 135 G 8.23 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 0.00 136 S 7.93 5.53 0.00 4.18 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 0.00 137 E 10.07 3.89 0.00 2.13 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 2.48 2.54 0.00 138 A 8.37 5.14 1.18 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 0.00 0.00 139 L 8.28 4.30 0.00 1.71 1.44 0.93 1.12 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 0.00 140 I 8.66 4.75 1.97 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 1.11 0.39 0.92 0.00 0.00 141 V 8.75 4.50 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 0.58 0.00 0.00 1.06 0.00 0.00 142 P 0.00 4.92 0.00 2.04 1.97 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 143 F 9.52 4.96 0.00 3.03 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 0.00 144 S 9.21 5.12 0.00 3.75 3.76 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 L 9.37 4.73 0.00 1.57 1.50 1.00 1.26 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 0.00 146 P 0.00 4.19 0.00 1.97 2.09 0.00 3.96 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 147 D 7.51 4.70 0.00 2.74 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 0.00 148 G 8.44 3.57 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 0.00 149 K 7.54 3.87 0.00 1.68 1.63 0.00 0.61 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.47 7.81 150 I 8.36 4.94 1.86 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 1.53 0.83 0.92 0.00 0.00 151 I 8.90 4.56 2.00 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 1.29 0.90 0.98 0.00 0.00 152 E 9.09 5.09 0.00 1.95 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 0.00 2.25 2.25 0.00 153 V 8.92 4.88 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 1.09 0.00 0.00 1.08 0.00 0.00 154 N 9.67 5.68 0.00 2.70 2.64 0.00 0.00 5.96 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.29 4.70 0.56 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.19 0.02 0.00 0.00 156 A 8.75 5.52 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 0.00 157 I 8.05 4.34 1.43 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.05 0.74 0.00 0.00 158 R 9.54 4.26 0.00 1.73 1.92 0.00 3.31 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 159 E 7.02 4.14 0.00 2.13 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 2.38 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.