NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6034 8.2227 120.3162 53.3749 40.6698 176.1737 3 Q 3.5893 8.7722 125.5466 58.2614 29.1989 175.0574 4 E 4.0054 7.7010 118.9250 58.5671 30.6327 177.7592 5 T 4.0529 7.7972 110.1070 64.5461 68.8846 175.9756 6 V 3.7185 7.7722 120.9545 65.5319 31.1646 178.2956 7 G 3.6179 8.5322 105.6213 47.7898 0.0000 176.3833 8 N 5.0560 7.8524 117.3875 52.1336 38.1433 177.2040 9 V 4.5261 8.3416 110.6989 60.7814 37.9707 176.9448 10 V 3.5908 7.9296 119.7911 66.2218 31.0907 177.7717 11 L 3.9103 7.8810 117.6584 57.8754 41.5101 179.3148 12 L 3.4428 7.6047 117.8887 57.4507 41.2657 179.1864 13 A 4.2742 8.1456 120.6672 55.8359 18.3298 179.0751 14 I 3.7122 8.2762 118.3873 64.9814 37.1090 178.5634 15 V 3.5823 8.3790 119.6068 65.4927 30.9994 178.5389 16 T 4.1227 8.4189 117.7417 65.9299 68.4519 176.5533 17 L 4.0453 8.8077 121.3541 57.8537 41.4749 179.5974 18 I 3.7249 7.9886 120.2682 64.3439 36.9850 178.2209 19 S 4.1450 8.4660 115.3849 61.8213 62.3758 176.9479 20 V 3.5715 7.9755 121.8741 64.4717 31.2868 178.4260 21 V 3.7398 7.7086 118.9113 65.7145 31.5059 177.7699 22 Q 4.2520 8.4322 117.8518 59.7214 28.2510 178.2738 23 N 3.7539 8.7456 119.4873 55.9721 38.6391 177.5114 24 G 3.6400 7.9955 106.7783 47.6255 0.0000 175.3451 25 F 4.5027 8.3419 122.6804 61.2806 39.3522 176.8183 26 F 3.1570 8.6274 117.0007 60.3968 38.5296 177.3402 27 A 4.3397 7.7981 117.0328 53.8640 18.4058 178.2247 28 H 4.5558 7.9146 116.7737 58.4114 29.1022 177.0562 29 K 4.0670 8.3102 119.7024 58.4159 31.6290 179.0655 30 V 4.0725 7.4458 117.7965 65.3938 31.5434 177.4576 31 E 3.8560 8.1655 119.1744 59.2071 29.5059 178.4539 32 H 4.2049 8.0530 116.0115 59.0813 28.6880 177.4606 33 E 3.9067 7.5821 118.0697 59.1671 29.0634 179.1530 34 S 3.3589 7.1575 112.0622 60.1279 62.5859 176.1797 35 R 3.9878 7.3089 121.5442 59.3645 29.9164 178.7994 36 T 3.9866 7.4435 106.9159 64.0953 68.7333 174.3811 37 Q 4.2715 7.4542 122.2762 55.5113 28.9035 173.4588 38 N 4.5953 8.4462 115.4976 53.0790 39.2324 175.4363 39 G 3.8029 8.2656 111.3902 44.7443 0.0000 175.1580 40 R 4.5753 7.3338 119.8472 55.4638 31.2881 177.1901 41 S 4.2902 7.5147 121.7297 59.7370 60.7542 172.5669 42 F 5.1576 8.9175 130.4026 57.7245 41.6919 173.4080 43 Q 4.7325 8.4429 117.1321 56.1071 32.4578 174.7031 44 R 3.9421 8.7148 120.3667 58.6845 30.6728 176.9492 45 T 4.4640 8.9481 111.0413 61.3970 72.2691 173.7657 46 G 4.2070 8.2834 112.8507 44.4824 0.0000 176.4184 47 T 3.9140 9.8650 123.7817 64.1540 69.7669 174.4497 48 L 3.4645 8.6433 124.2631 57.5096 41.5423 179.2899 49 A 4.0986 7.9919 120.0047 54.0455 18.5153 179.0187 50 F 4.5039 7.9649 119.0770 61.1240 39.7448 177.3674 51 E 3.6219 8.9043 119.3579 59.4252 29.2303 179.5945 52 R 3.6794 8.0824 118.1719 59.0453 30.0294 179.1839 53 V 3.4131 7.3979 118.0751 66.0050 31.6351 177.1494 54 Y 4.4358 8.4872 119.5211 61.3459 38.3022 178.6339 55 T 3.5326 7.5309 115.0762 66.3966 68.7404 175.8322 56 A 4.2067 7.3741 122.5062 55.3927 18.3587 179.2018 57 N 4.2557 8.8085 115.3654 56.8914 38.9940 176.5803 58 Q 4.0706 8.0483 116.9036 57.5947 28.8415 176.5092 59 N 4.9747 7.8561 117.0191 55.6726 39.7536 176.4421 60 C 4.5409 8.1522 117.2359 61.6870 28.2022 176.0509 61 V 3.7379 7.7476 119.2946 65.7502 31.3250 176.9817 62 D 4.6208 7.7774 116.6166 55.8626 40.9818 178.1238 63 A 4.4131 8.2522 121.5440 55.6794 19.0800 179.1837 64 Y 4.5304 8.1553 118.2235 60.0135 39.1853 176.4113 65 P 4.4361 0.0000 0.0000 66.5558 31.2621 178.3870 66 T 3.8718 7.9750 115.8877 65.4870 68.2435 176.3782 67 F 4.4861 8.4822 123.0453 61.4768 39.5408 177.1356 68 L 3.1402 8.2754 119.4260 57.8162 41.2084 179.0760 69 A 3.9181 8.1312 120.6280 55.5982 18.3197 180.0567 70 V 3.9564 7.7032 109.6858 63.5955 31.7400 178.4233 71 L 3.9055 8.1249 120.4282 58.1690 41.8010 179.2439 72 W 3.9789 8.1098 118.4823 59.5481 29.4172 178.8199 73 S 4.1313 8.3523 114.0805 61.4359 62.1347 176.5960 74 A 4.0746 7.9439 126.0438 54.3909 17.7704 179.7151 75 G 3.5967 7.9460 102.8003 46.4813 0.0000 175.0954 76 L 4.3396 7.6189 120.0039 56.9789 43.0613 178.6787 77 L 4.1142 8.0698 118.4682 54.9389 41.5388 177.5923 78 C 4.6574 8.3747 114.3547 58.9944 31.3035 176.7930 79 S 4.6454 8.9012 114.3058 56.3768 63.1587 172.1545 80 Q 4.0973 8.4764 131.5567 58.7959 28.9580 178.6430 81 V 3.6543 7.6378 112.8138 64.0377 31.7383 176.5821 82 P 4.3458 0.0000 0.0000 65.4268 31.0841 178.5062 83 A 4.1001 8.0366 118.9500 55.1732 18.3964 179.2208 84 A 3.7997 7.9644 119.2857 55.3998 18.1625 179.6237 85 F 3.8698 8.5905 117.4934 61.3197 39.5932 176.5402 86 A 4.2753 8.3286 119.4478 55.5039 18.4875 179.4539 87 G 3.9502 8.4330 104.1960 47.7762 0.0000 176.0099 88 L 3.7493 7.5070 120.0453 55.3531 41.8536 178.1144 *90 Y 4.2429 7.8255 118.1744 56.9666 40.5438 176.7078 91 L 4.2347 7.8553 119.4653 58.1887 41.5352 179.9587 92 F 4.6801 7.9279 117.5822 60.7941 38.9766 178.0588 93 V 3.7119 7.9460 117.3670 65.8653 31.1889 177.9642 94 R 4.7631 8.7861 118.4262 59.7530 29.9756 178.2066 95 Q 4.6614 8.4697 118.9778 59.8656 28.9946 178.7776 96 K 3.8271 8.6878 119.2641 59.8343 32.1340 178.7267 97 Y 4.2717 8.7111 119.9830 60.7628 38.6455 177.2299 98 F 4.0076 8.9597 121.5675 61.4770 39.5638 177.0643 99 V 3.5901 8.7651 118.3712 65.8949 31.2170 178.1052 100 G 3.8317 8.1599 103.4627 46.8122 0.0000 173.7296 101 Y 4.8994 7.4109 120.9456 58.0715 38.7650 174.4860 102 L 4.5198 7.4728 115.3500 54.3786 45.9901 180.4350 103 G 4.0651 8.5721 107.3437 46.1137 0.0000 173.2404 104 E 4.6416 9.5989 123.9122 56.7106 37.4300 176.5477 105 R 4.4917 9.0106 132.4702 58.1337 32.3515 179.4753 106 T 3.7635 7.2743 113.7295 64.5846 69.1446 172.8794 107 Q 3.7880 8.5431 118.9560 57.1985 27.5035 173.9156 108 S 4.5275 8.0905 111.6127 58.4734 62.7891 176.3614 109 T 3.3439 9.0951 105.8995 63.9482 65.4710 168.9803 110 P 4.6033 0.0000 0.0000 61.0842 34.1425 175.2686 111 G 3.4446 7.9629 104.7800 47.6002 0.0000 171.7895 112 Y 4.1548 10.4775 124.2721 58.2719 39.3238 171.2903 113 I 3.5189 7.4791 117.5188 63.9293 38.0991 176.6999 114 F 3.7691 7.4649 120.3545 56.8100 38.5001 173.3570 115 G 3.3254 8.2648 109.1957 45.6378 0.0000 173.0128 116 K 4.0605 7.8492 126.9316 56.9659 32.1582 178.4637 117 R 3.9364 8.0306 118.4938 60.0436 29.6096 178.7816 118 I 3.7225 7.7257 119.9897 64.4116 37.0796 178.0023 119 I 4.1140 7.9069 113.3690 63.2944 37.6315 177.8706 120 L 3.9415 7.8239 121.9904 57.9972 41.7551 178.5721 121 F 4.1341 8.9196 120.3590 61.4634 39.5125 176.8114 122 L 4.2077 8.0662 116.9096 57.6620 41.6533 179.2357 123 F 4.2926 8.6417 121.1439 61.0402 39.3789 178.9902 124 L 4.2639 8.0805 119.1405 54.6802 41.2391 179.6836 *126 S 4.2385 8.1025 115.9753 58.5794 64.5828 176.8685 127 V 3.5546 7.6329 118.2718 64.6548 31.1283 176.9575 128 A 4.2188 8.4737 123.7984 53.5474 18.0104 179.1390 129 G 4.2806 7.9934 103.0903 46.7647 0.0000 174.7710 130 I 3.5254 7.5985 119.7694 63.5228 38.0634 177.2832 131 F 4.3275 8.4520 121.5304 60.8767 39.6595 176.8982 132 N 3.3893 8.2910 116.0731 56.6965 38.4190 175.9298 133 Y 3.8726 8.4069 120.9973 60.9859 38.7684 177.4599 134 Y 4.3712 7.6904 115.9729 61.1643 38.0955 178.6855 135 L 3.5562 7.1589 119.7051 57.4091 41.9152 179.0114 136 I 3.6627 7.4914 119.5150 63.8465 36.8284 178.2302 137 F 4.3609 7.4720 121.1499 61.1905 39.3418 176.5027 138 F 4.4326 7.7574 116.1383 59.2449 39.2132 176.7839 139 F 5.0196 7.6432 116.5789 58.2547 39.7486 177.3696 140 G 4.1302 8.4179 109.8484 47.9054 0.0000 174.4120 141 S 4.3756 7.8382 114.8540 57.5107 64.5839 174.8103 142 D 4.6015 8.8877 120.5342 54.2755 39.2604 176.0318 143 F 4.0862 9.1825 114.7679 59.7111 38.1544 176.3186 144 E 3.9603 6.6150 122.6652 54.8661 27.6351 175.5202 145 N 4.6732 7.5260 116.2712 54.2673 38.3151 174.0299 146 Y 4.9900 7.6603 114.1870 57.3645 39.4774 177.1337 147 I 3.8362 7.9746 121.2812 63.4586 37.5267 176.0795 148 A 4.1787 7.3431 126.2192 52.7062 18.1366 176.9359 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 D 8.22 4.60 0.00 2.84 2.88 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 3 Q 8.77 3.59 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 4 E 7.70 4.01 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 5 T 7.80 4.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 6 V 7.77 3.72 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 7 G 8.53 3.62 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 0.00 0.00 0.00 8 N 7.85 5.06 0.00 2.85 2.84 0.00 0.00 6.36 6.96 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 9 V 8.34 4.53 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 0.77 0.00 0.00 1.13 0.00 0.00 10 V 7.93 3.59 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 11 L 7.88 3.91 0.00 1.59 1.65 0.91 0.67 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 12 L 7.60 3.44 0.00 0.58 0.13 0.41 0.39 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 13 A 8.15 4.27 1.51 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 0.00 0.00 14 I 8.28 3.71 2.10 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 1.59 0.45 0.90 0.00 0.00 15 V 8.38 3.58 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 0.72 0.00 0.00 0.91 0.00 0.00 16 T 8.42 4.12 4.59 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 1.35 0.00 0.00 17 L 8.81 4.05 0.00 1.96 1.76 0.96 0.77 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 18 I 7.99 3.72 2.03 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 1.60 0.60 0.96 0.00 0.00 19 S 8.47 4.14 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 20 V 7.98 3.57 2.31 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 0.82 0.00 0.00 1.01 0.00 0.00 21 V 7.71 3.74 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 1.11 0.00 0.00 0.97 0.00 0.00 22 Q 8.43 4.25 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.50 0.00 0.00 0.00 0.00 0.00 2.27 1.98 0.00 23 N 8.75 3.75 0.00 2.67 2.67 0.00 0.00 6.94 5.12 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 24 G 8.00 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 25 F 8.34 4.50 0.00 3.19 3.60 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 26 F 8.63 3.16 0.00 2.87 2.43 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 27 A 7.80 4.34 1.35 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 0.00 0.00 28 H 7.91 4.56 0.00 3.42 3.67 0.00 5.79 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 29 K 8.31 4.07 0.00 1.73 1.80 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.51 7.81 30 V 7.45 4.07 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 1.17 0.00 0.00 1.24 0.00 0.00 31 E 8.17 3.86 0.00 2.12 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 2.27 2.32 0.00 32 H 8.05 4.20 0.00 3.12 3.27 0.00 5.69 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 33 E 7.58 3.91 0.00 1.86 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 2.53 2.74 0.00 34 S 7.16 3.36 0.00 3.31 3.71 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 35 R 7.31 3.99 0.00 2.08 1.85 0.00 3.29 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 36 T 7.44 3.99 4.18 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 1.20 0.00 0.00 37 Q 7.45 4.27 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 5.69 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 38 N 8.45 4.60 0.00 2.86 2.85 0.00 0.00 6.81 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 39 G 8.27 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 0.00 0.00 0.00 40 R 7.33 4.58 0.00 1.80 1.90 0.00 3.43 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 41 S 7.51 4.29 0.00 4.16 3.52 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 42 F 8.92 5.16 0.00 2.72 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 43 Q 8.44 4.73 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 44 R 8.71 3.94 0.00 1.75 1.94 0.00 3.19 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 45 T 8.95 4.46 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 1.17 0.00 0.00 46 G 8.28 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.86 3.91 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 1.25 0.00 0.00 48 L 8.64 3.46 0.00 1.66 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.99 4.10 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 50 F 7.96 4.50 0.00 3.00 3.23 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 51 E 8.90 3.62 0.00 2.00 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 2.08 2.39 0.00 52 R 8.08 3.68 0.00 2.01 1.82 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 53 V 7.40 3.41 2.41 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 1.16 0.00 0.00 0.87 0.00 0.00 54 Y 8.49 4.44 0.00 2.97 2.79 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 55 T 7.53 3.53 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 1.14 0.00 0.00 56 A 7.37 4.21 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 57 N 8.81 4.26 0.00 2.81 3.05 0.00 0.00 6.93 7.03 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 58 Q 8.05 4.07 0.00 1.26 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.04 2.33 0.00 59 N 7.86 4.97 0.00 3.21 3.06 0.00 0.00 6.99 8.02 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 60 C 8.15 4.54 0.00 2.95 3.12 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 0.00 0.00 0.00 61 V 7.75 3.74 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 0.94 0.00 0.00 0.94 0.00 0.00 62 D 7.78 4.62 0.00 2.85 2.84 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 63 A 8.25 4.41 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 0.00 0.00 0.00 0.00 0.00 64 Y 8.16 4.53 0.00 3.23 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 65 P 0.00 4.44 0.00 2.30 2.29 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 66 T 7.98 3.87 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 67 F 8.48 4.49 0.00 2.93 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.28 3.14 0.00 1.34 1.38 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.13 3.92 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 70 V 7.70 3.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.22 0.00 0.00 71 L 8.12 3.91 0.00 1.55 1.61 0.31 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.11 3.98 0.00 3.35 3.20 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 0.00 0.00 0.00 73 S 8.35 4.13 0.00 3.97 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 74 A 7.94 4.07 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 75 G 7.95 3.60 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 0.00 0.00 0.00 76 L 7.62 4.34 0.00 1.78 1.72 1.03 1.16 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 77 L 8.07 4.11 0.00 1.84 1.61 0.83 0.46 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 78 C 8.37 4.66 0.00 2.82 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 0.00 0.00 0.00 0.00 79 S 8.90 4.65 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 80 Q 8.48 4.10 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 81 V 7.64 3.65 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 0.75 0.00 0.00 0.93 0.00 0.00 82 P 0.00 4.35 0.00 2.31 2.23 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 83 A 8.04 4.10 1.39 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 84 A 7.96 3.80 1.35 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 0.00 0.00 85 F 8.59 3.87 0.00 2.99 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 86 A 8.33 4.28 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 87 G 8.43 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 0.00 0.00 0.00 88 L 7.51 3.75 0.00 1.53 1.24 -0.01 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *90 Y 7.83 4.24 0.00 2.69 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 91 L 7.86 4.23 0.00 1.86 1.79 1.04 0.99 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 92 F 7.93 4.68 0.00 2.92 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 93 V 7.95 3.71 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 1.12 0.00 0.00 0.90 0.00 0.00 94 R 8.79 4.76 0.00 2.32 2.40 0.00 3.74 0.00 0.00 3.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 95 Q 8.47 4.66 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 96 K 8.69 3.83 0.00 2.15 1.96 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.55 7.81 97 Y 8.71 4.27 0.00 3.03 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 98 F 8.96 4.01 0.00 2.88 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 99 V 8.77 3.59 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 0.96 0.00 0.00 0.96 0.00 0.00 100 G 8.16 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.41 4.90 0.00 3.00 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 0.00 102 L 7.47 4.52 0.00 1.50 1.49 0.71 0.92 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 0.00 103 G 8.57 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.60 4.64 0.00 1.92 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 2.19 2.29 0.00 105 R 9.01 4.49 0.00 1.85 1.94 0.00 3.15 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 106 T 7.27 3.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 107 Q 8.54 3.79 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 108 S 8.09 4.53 0.00 3.91 3.33 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 0.00 109 T 9.10 3.34 4.36 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 1.53 0.00 0.00 110 P 0.00 4.60 0.00 1.90 1.91 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 111 G 7.96 3.44 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 0.00 112 Y 10.48 4.15 0.00 3.14 3.20 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 0.00 0.00 0.00 113 I 7.48 3.52 1.81 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 1.20 0.86 0.74 0.00 0.00 114 F 7.46 3.77 0.00 3.27 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 0.00 115 G 8.26 3.33 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 0.00 116 K 7.85 4.06 0.00 1.72 1.63 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.37 7.81 117 R 8.03 3.94 0.00 2.05 2.24 0.00 2.96 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 118 I 7.73 3.72 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 0.82 0.00 0.00 119 I 7.91 4.11 2.03 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 1.49 1.53 1.09 0.00 0.00 120 L 7.82 3.94 0.00 1.70 1.90 0.96 0.73 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 0.00 121 F 8.92 4.13 0.00 3.08 3.31 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 0.00 122 L 8.07 4.21 0.00 2.17 1.89 1.15 1.01 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 0.00 123 F 8.64 4.29 0.00 3.15 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 0.00 124 L 8.08 4.26 0.00 1.80 1.58 1.28 1.01 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 *126 S 8.10 4.24 0.00 3.73 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 0.00 127 V 7.63 3.55 1.53 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 0.76 0.00 0.00 0.85 0.00 0.00 128 A 8.47 4.22 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 0.00 129 G 7.99 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 0.00 0.00 0.00 0.00 130 I 7.60 3.53 2.01 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 1.16 0.90 0.82 0.00 0.00 131 F 8.45 4.33 0.00 3.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.29 3.39 0.00 2.72 2.97 0.00 0.00 6.71 7.56 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 0.00 133 Y 8.41 3.87 0.00 2.87 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 0.00 134 Y 7.69 4.37 0.00 2.95 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 0.00 135 L 7.16 3.56 0.00 1.59 1.43 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.49 3.66 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 0.76 0.00 0.00 137 F 7.47 4.36 0.00 2.23 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 0.00 138 F 7.76 4.43 0.00 2.31 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 0.00 139 F 7.64 5.02 0.00 3.00 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 0.00 140 G 8.42 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 0.00 141 S 7.84 4.38 0.00 4.12 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.89 4.60 0.00 3.08 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 0.00 143 F 9.18 4.09 0.00 3.20 3.55 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 0.00 144 E 6.62 3.96 0.00 1.46 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 1.47 1.47 0.00 145 N 7.53 4.67 0.00 2.63 2.77 0.00 0.00 7.15 7.54 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 0.00 146 Y 7.66 4.99 0.00 2.91 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 0.00 147 I 7.97 3.84 1.86 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 1.31 0.63 0.88 0.00 0.00 148 A 7.34 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.