NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4395 8.2929 117.0992 57.6988 64.3140 175.0576 5 Q 3.9223 8.4666 119.1636 61.7061 27.7151 175.3868 6 D 4.9424 8.4852 123.5324 59.0494 40.2219 180.8814 7 E 4.4050 8.1372 119.6024 62.0716 30.0446 183.9344 8 I 3.9764 8.6272 123.7838 65.7395 35.4647 180.8550 9 D 4.6680 8.8859 124.1791 59.3030 39.6522 182.6291 10 D 4.7078 8.5222 125.2383 58.7467 39.7976 181.5493 11 L 4.2519 7.9206 125.6076 60.3103 41.1241 181.5939 12 K 4.0916 8.4240 127.2088 60.8878 31.6554 180.8609 13 D 4.5953 9.0871 123.0480 59.5890 39.8770 182.5070 14 V 3.9986 8.2478 122.2193 66.5447 31.7687 181.0623 *15 F 4.2937 8.7135 124.2591 62.8798 37.6162 179.7284 16 E 4.2342 8.3696 120.6601 61.4188 29.3417 181.6687 17 L 4.1769 7.5464 124.4221 60.5187 41.2186 182.0337 *18 F 4.5181 8.1940 122.8298 61.9602 38.3304 180.4424 19 D 4.8750 8.8660 124.6532 58.7893 39.6563 182.2202 *20 F 4.3458 8.3705 121.9604 62.8801 38.0715 183.5241 *21 W 4.4135 8.0403 124.6007 60.5898 28.2176 178.6448 22 D 4.9672 8.1275 115.7521 53.1092 40.1021 179.1237 23 G 3.7013 8.0635 117.5227 46.1890 0.0000 175.0283 24 R 4.3355 8.4048 126.0322 56.8248 29.5841 174.3313 25 D 4.5188 8.9426 119.1536 52.4382 42.5418 172.3781 26 G 3.9483 9.0279 106.2731 47.0081 0.0000 173.6791 27 A 4.9445 7.9590 121.1875 50.8235 22.3804 177.5380 28 V 4.5231 9.0144 122.3874 59.7808 36.0168 174.9625 29 D 4.9917 8.6892 124.7967 53.3765 40.3553 176.3049 30 A 3.5357 9.4032 131.2573 54.5863 18.5392 179.3519 *31 F 4.5168 8.1341 114.2862 58.2991 38.5797 182.4568 32 K 4.6310 8.8494 126.8988 58.1231 32.6505 183.7964 33 L 4.3099 8.1787 121.1006 61.2163 40.5317 183.9487 34 G 4.0173 8.4314 107.3026 47.2644 0.0000 175.5170 35 D 4.5584 8.2151 128.4368 58.7467 40.2262 181.9156 36 V 3.9962 8.0999 121.8376 67.2808 31.7012 181.5779 37 C 4.5667 8.2507 120.5683 60.5944 39.6613 179.0205 38 R 4.9153 7.9071 124.4205 61.4821 29.0472 181.6653 39 C 4.8415 8.4994 119.7577 60.1941 39.8435 180.2223 40 L 4.6902 7.3491 118.2911 54.8095 39.9194 181.3969 41 G 4.3413 7.9852 118.8804 46.2573 0.0000 174.9848 42 I 3.6810 7.2488 118.7718 58.8930 37.1483 177.3801 43 N 5.3122 8.2416 119.9720 51.0126 38.2807 174.0497 44 P 4.6392 0.0000 0.0000 61.7914 32.4401 177.1095 45 R 4.7477 8.1892 119.6128 58.7064 32.4459 175.8512 46 N 4.5417 8.8435 124.2110 58.5829 37.2903 178.1079 47 E 4.2508 8.3838 121.3999 61.8729 29.7983 180.9515 48 D 4.7747 8.1402 123.9125 58.9129 39.9153 181.1960 49 V 3.9602 8.1976 123.4723 66.7364 31.4740 181.1009 *50 F 4.2324 7.9957 121.0233 61.7258 37.5013 179.0208 51 A 4.2385 7.6963 122.5736 55.6294 18.1591 179.5876 52 V 3.9833 8.1956 113.0060 60.4666 32.3482 180.4288 53 G 5.0217 7.3857 119.4219 46.7686 0.0000 172.9364 54 G 4.2852 7.8444 111.6407 46.6451 0.0000 173.0584 55 T 4.7496 8.0053 112.5048 59.4274 72.5094 175.2200 *56 H 4.4089 8.9190 120.6486 57.7127 28.3484 177.3456 57 K 4.7350 7.6851 119.8439 53.2135 35.6132 179.7939 58 M 4.3875 8.3490 116.1341 55.6237 32.5408 178.2547 59 G 4.0748 8.7216 109.5507 50.1466 0.0000 175.8295 60 E 3.9780 9.6051 116.8878 57.5394 29.9988 180.0454 61 K 4.4740 7.2660 122.8177 55.3249 35.5077 176.2701 62 S 5.3729 8.9637 121.5541 57.8700 66.0387 174.7798 63 L 4.8849 9.5082 124.2990 54.0400 45.7499 177.1232 64 P 4.6675 0.0000 0.0000 61.8824 32.7112 177.1292 *65 F 4.5160 8.5483 117.0844 63.0218 37.8219 174.2897 66 E 4.2716 8.1804 118.0613 62.4018 29.7443 184.2475 67 E 4.4933 8.1911 119.8393 60.6960 30.4158 180.9013 *68 F 4.4633 7.7110 121.2381 62.6983 38.1480 182.6494 69 L 4.2642 7.7694 125.4559 60.0194 40.6912 180.7358 70 P 4.5999 0.0000 0.0000 66.3505 30.7428 180.0665 71 A 4.3704 7.9392 120.6282 56.3752 18.0455 179.7589 *72 Y 4.1516 7.8866 120.1522 62.0708 37.1814 180.4744 73 E 4.4637 8.0440 118.2128 61.7121 29.8367 183.2795 74 G 3.8265 8.7614 109.7983 48.0458 0.0000 176.0600 75 L 4.0950 8.3867 121.0796 55.5299 40.8684 180.4802 76 M 4.3887 8.7344 121.4959 58.1966 32.2883 182.6761 77 D 4.6293 7.5499 117.9899 54.8113 40.0166 178.4243 78 C 4.5298 7.5538 118.0700 57.8302 28.9077 179.4625 79 E 4.0319 8.8780 121.9299 56.6540 29.6966 175.7497 80 Q 4.7638 8.4537 121.2292 51.9887 31.0399 173.1437 81 G 3.7661 8.6237 113.3736 45.4777 0.0000 175.3356 82 T 4.3885 8.3724 123.0550 62.7295 71.0872 172.7325 *83 F 4.3039 8.4752 118.7129 63.2350 37.9631 174.1687 84 A 4.2331 8.1654 122.9820 56.0694 18.2272 179.7019 85 D 4.3985 8.2424 120.9167 59.7078 39.7252 181.2714 *86 Y 4.3252 7.8847 124.3347 62.3259 36.5518 180.7542 87 M 4.3799 8.1213 122.8893 60.8392 31.8133 182.0835 88 E 4.1843 8.8033 119.6600 61.0820 29.2722 180.6152 89 A 4.2475 8.3402 122.9762 56.1022 18.4615 180.5432 *90 F 4.2146 8.0369 120.8212 62.1449 37.9922 180.3841 91 K 4.3275 8.2932 125.0570 60.9021 31.3137 183.9571 92 T 4.3462 7.5664 113.7194 64.8426 68.3549 177.3525 *93 F 4.7283 7.8087 119.5962 57.8183 38.4368 180.9015 94 D 4.7765 8.3849 123.0280 53.1971 39.2922 183.4258 95 R 4.3204 8.6077 127.4511 58.8366 29.9412 176.1463 96 E 4.0666 8.1476 113.6640 57.2649 29.7987 180.4815 97 G 4.0206 7.8794 107.7599 46.0260 0.0000 173.8934 98 Q 4.4798 7.7750 117.9887 55.1437 29.0065 181.3607 99 G 3.8675 8.3468 106.5850 47.9223 0.0000 174.4501 *100 F 5.2877 6.8962 116.0018 54.3649 41.5456 177.3871 101 I 4.0092 7.4981 116.1974 61.2204 38.4808 170.3006 102 S 5.2770 7.7087 118.7926 59.5518 65.6744 175.2653 103 G 3.7781 8.4888 106.8870 48.7437 0.0000 175.8732 104 A 4.0483 8.0963 125.7034 55.3205 18.3763 180.1732 105 E 3.9618 8.2416 118.4154 61.8169 30.0016 181.1736 106 L 4.2446 8.0353 126.3321 60.0896 40.8062 181.9140 107 R 4.1942 8.4599 124.4846 62.3456 29.3260 180.8481 *108 H 4.3887 8.1394 122.3072 60.2899 27.7795 180.3928 109 V 3.9212 8.1788 125.0242 66.3476 31.3181 180.9851 110 L 4.2970 8.0376 125.7035 60.3844 40.6921 182.0090 111 T 4.4689 8.3427 115.9360 64.7779 68.5448 177.4782 112 A 4.4137 8.4375 126.1617 54.1966 19.4677 178.2517 113 L 4.4634 7.4885 114.4919 53.1698 42.7217 179.9309 114 G 3.8782 8.6233 109.5854 46.6863 0.0000 173.7553 115 E 4.0793 8.8581 115.9484 56.4139 27.8568 172.7729 116 R 4.2670 7.9577 127.8997 55.4235 31.2136 175.1054 117 L 4.8047 8.3378 120.5774 54.3995 44.8701 177.8282 118 S 4.2048 9.1176 125.0143 58.8129 63.1498 172.7645 119 D 4.6164 8.9458 123.4455 59.0948 39.5608 180.5554 120 E 4.2669 8.1849 119.6541 62.4740 30.0478 184.3612 121 D 4.7021 8.2486 124.4279 58.8333 39.7322 181.2488 122 V 3.9225 7.5962 120.7500 66.9382 31.8050 182.4236 123 D 4.7286 8.1741 124.2813 59.2067 39.5207 180.4207 124 E 4.3730 8.7993 120.5197 60.8621 29.3647 183.2580 125 I 4.0018 7.7130 124.1204 66.2102 36.0279 180.7913 126 I 3.9582 8.0652 122.3522 66.0092 35.1361 183.0140 127 K 4.2260 8.0100 127.3237 61.0066 31.9406 181.0690 128 L 4.2254 8.6442 126.1889 60.2026 40.4342 181.2057 129 T 4.2408 8.2797 120.1412 64.0121 69.5426 176.2621 130 D 4.6180 7.8878 119.9096 55.5281 37.7238 180.4460 131 L 4.2779 8.0028 122.6323 55.1835 41.8938 179.4246 132 Q 4.6795 8.5058 123.0926 52.9895 31.8753 173.2989 133 E 5.1819 8.5772 118.5032 54.2532 32.2398 176.2236 134 D 4.9403 8.1396 119.8381 53.5351 42.2082 178.5122 135 L 4.0790 8.6523 116.8389 59.8297 40.9953 174.6522 136 E 4.2397 8.1155 112.2176 56.1784 30.3711 179.0739 137 G 3.8222 8.1993 108.3497 48.3260 0.0000 173.5185 138 N 5.5771 8.1191 119.0095 51.4778 41.4748 176.9312 139 V 4.7207 9.0017 119.1939 60.8489 36.6300 176.8196 140 K 5.0487 8.7265 129.4701 54.6568 31.9216 177.5960 *141 Y 4.1489 8.7688 131.7257 60.9162 36.5774 175.8498 142 E 4.2621 8.1490 119.4692 62.5449 30.2672 184.3927 143 D 4.7637 7.9657 124.9448 59.0252 39.8870 180.6490 *144 F 4.1758 8.2737 123.7222 62.9171 37.8806 180.4177 145 V 3.9215 7.9380 121.6381 66.7422 31.1114 181.4658 146 K 4.3057 7.9076 125.4452 60.2002 31.7475 182.0722 147 K 4.3797 8.2458 127.2943 60.3263 31.5356 182.1494 148 V 3.9055 7.9783 122.0219 67.1754 31.4703 180.7513 149 M 4.4258 7.9204 119.4986 59.3813 31.2741 179.8805 150 A 4.3229 8.0430 121.2480 54.9571 18.7541 177.3028 151 G 4.1199 7.7762 102.0798 43.0558 0.0000 172.6975 152 P 4.2792 0.0000 0.0000 64.5101 30.9402 175.0681 *153 Y 4.5112 7.7919 116.5783 55.4239 38.7766 178.1594 154 P 4.5797 0.0000 0.0000 61.2375 31.1090 172.7887 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 4 S 8.29 4.44 0.00 3.67 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.47 3.92 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 6 D 8.49 4.94 0.00 2.76 2.65 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 7 E 8.14 4.40 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 2.31 1.94 0.00 8 I 8.63 3.98 1.87 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 1.38 0.53 0.91 0.00 0.00 9 D 8.89 4.67 0.00 2.62 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 10 D 8.52 4.71 0.00 2.66 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 11 L 7.92 4.25 0.00 1.64 1.71 0.92 0.87 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 12 K 8.42 4.09 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 13 D 9.09 4.60 0.00 2.62 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 14 V 8.25 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 *15 F 8.71 4.29 0.00 2.22 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 16 E 8.37 4.23 0.00 2.01 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 2.24 2.20 0.00 17 L 7.55 4.18 0.00 1.83 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *18 F 8.19 4.52 0.00 2.29 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 19 D 8.87 4.87 0.00 2.63 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 *20 F 8.37 4.35 0.00 2.28 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 0.00 0.00 0.00 0.00 *21 W 8.04 4.41 0.00 2.61 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 0.00 0.00 0.00 0.00 22 D 8.13 4.97 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.06 3.70 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 0.00 0.00 0.00 24 R 8.40 4.34 0.00 1.84 1.77 0.00 3.20 0.00 0.00 3.92 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 25 D 8.94 4.52 0.00 2.62 2.48 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 26 G 9.03 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 27 A 7.96 4.94 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 28 V 9.01 4.52 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 0.72 0.00 0.00 0.93 0.00 0.00 29 D 8.69 4.99 0.00 2.36 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 30 A 9.40 3.54 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 *31 F 8.13 4.52 0.00 2.32 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 0.00 0.00 0.00 32 K 8.85 4.63 0.00 1.67 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.28 7.81 33 L 8.18 4.31 0.00 1.64 1.75 0.92 0.90 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 34 G 8.43 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 35 D 8.22 4.56 0.00 2.78 2.65 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 36 V 8.10 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 37 C 8.25 4.57 0.00 2.87 3.13 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 38 R 7.91 4.92 0.00 1.92 1.88 0.00 3.19 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 39 C 8.50 4.84 0.00 2.82 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 40 L 7.35 4.69 0.00 1.68 1.56 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.99 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 0.00 0.00 0.00 0.00 42 I 7.25 3.68 1.87 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 1.27 0.69 0.91 0.00 0.00 43 N 8.24 5.31 0.00 2.66 2.57 0.00 0.00 6.62 7.75 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 44 P 0.00 4.64 0.00 2.08 1.88 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 45 R 8.19 4.75 0.00 1.80 1.82 0.00 3.24 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 46 N 8.84 4.54 0.00 2.72 2.88 0.00 0.00 6.84 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 47 E 8.38 4.25 0.00 2.06 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 2.24 1.97 0.00 48 D 8.14 4.77 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.20 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 *50 F 8.00 4.23 0.00 2.31 2.34 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 51 A 7.70 4.24 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 52 V 8.20 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00 53 G 7.39 5.02 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 54 G 7.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.01 4.75 4.24 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 1.21 0.00 0.00 *56 H 8.92 4.41 0.00 2.92 3.01 0.00 7.11 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.69 4.73 0.00 1.71 1.55 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 58 M 8.35 4.39 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.11 0.00 59 G 8.72 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 60 E 9.61 3.98 0.00 2.01 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 2.27 2.19 0.00 61 K 7.27 4.47 0.00 1.39 1.64 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.19 0.83 7.81 62 S 8.96 5.37 0.00 3.35 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 63 L 9.51 4.88 0.00 1.18 1.48 0.92 1.07 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 64 P 0.00 4.67 0.00 1.99 1.99 0.00 3.68 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 2.01 1.58 0.00 *65 F 8.55 4.52 0.00 2.28 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 0.00 0.00 0.00 0.00 66 E 8.18 4.27 0.00 2.06 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 2.23 1.94 0.00 67 E 8.19 4.49 0.00 2.06 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 2.22 1.93 0.00 *68 F 7.71 4.46 0.00 2.41 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 0.00 0.00 0.00 0.00 69 L 7.77 4.26 0.00 1.61 1.73 0.92 0.97 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 70 P 0.00 4.60 0.00 2.07 2.08 0.00 3.70 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 2.02 1.65 0.00 71 A 7.94 4.37 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 *72 Y 7.89 4.15 0.00 2.43 2.22 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 73 E 8.04 4.46 0.00 2.01 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 2.24 2.19 0.00 74 G 8.76 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 75 L 8.39 4.10 0.00 1.65 1.58 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.73 4.39 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 77 D 7.55 4.63 0.00 2.64 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 78 C 7.55 4.53 0.00 2.74 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 79 E 8.88 4.03 0.00 1.98 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 2.24 1.90 0.00 80 Q 8.45 4.76 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 81 G 8.62 3.77 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 0.00 82 T 8.37 4.39 4.24 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 1.21 0.00 0.00 *83 F 8.48 4.30 0.00 2.28 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 0.00 0.00 0.00 0.00 84 A 8.17 4.23 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 85 D 8.24 4.40 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 *86 Y 7.88 4.33 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.12 4.38 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 88 E 8.80 4.18 0.00 1.91 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 2.22 0.00 89 A 8.34 4.25 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 *90 F 8.04 4.21 0.00 2.28 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 0.00 0.00 0.00 0.00 91 K 8.29 4.33 0.00 1.76 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 T 7.57 4.35 4.24 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 1.21 0.00 0.00 *93 F 7.81 4.73 0.00 2.20 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 0.00 0.00 0.00 94 D 8.38 4.78 0.00 2.55 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 95 R 8.61 4.32 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 96 E 8.15 4.07 0.00 1.98 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 2.23 1.88 0.00 97 G 7.88 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 98 Q 7.78 4.48 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.34 0.00 0.00 0.00 0.00 0.00 2.30 1.91 0.00 99 G 8.35 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 0.00 0.00 0.00 *100 F 6.90 5.29 0.00 2.30 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 0.00 0.00 0.00 101 I 7.50 4.01 1.87 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 1.27 0.30 0.91 0.00 0.00 102 S 7.71 5.28 0.00 3.71 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 0.00 103 G 8.49 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 0.00 104 A 8.10 4.05 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 0.00 105 E 8.24 3.96 0.00 1.99 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 1.94 0.00 106 L 8.04 4.24 0.00 1.66 1.73 0.92 0.76 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 0.00 107 R 8.46 4.19 0.00 1.78 1.98 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *108 H 8.14 4.39 0.00 2.94 3.11 0.00 7.18 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.18 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 110 L 8.04 4.30 0.00 1.67 1.70 0.92 0.90 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 0.00 111 T 8.34 4.47 4.24 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 1.21 0.00 0.00 112 A 8.44 4.41 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 0.00 113 L 7.49 4.46 0.00 1.63 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.62 3.88 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 0.00 115 E 8.86 4.08 0.00 2.00 1.82 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 2.23 1.89 0.00 116 R 7.96 4.27 0.00 1.59 1.78 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 117 L 8.34 4.80 0.00 1.32 1.51 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 118 S 9.12 4.20 0.00 3.41 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 0.00 119 D 8.95 4.62 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.18 4.27 0.00 1.97 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 2.31 1.94 0.00 121 D 8.25 4.70 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.60 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 123 D 8.17 4.73 0.00 2.62 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 0.00 124 E 8.80 4.37 0.00 1.98 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 2.24 2.20 0.00 125 I 7.71 4.00 1.87 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 1.38 0.53 0.91 0.00 0.00 126 I 8.07 3.96 1.87 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 1.38 0.54 0.91 0.00 0.00 127 K 8.01 4.23 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.34 7.81 128 L 8.64 4.23 0.00 1.62 1.59 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.28 4.24 4.24 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 1.21 0.00 0.00 130 D 7.89 4.62 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.00 4.28 0.00 1.68 1.49 0.92 0.59 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 0.00 132 Q 8.51 4.68 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 133 E 8.58 5.18 0.00 1.97 1.75 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 2.16 1.81 0.00 134 D 8.14 4.94 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.65 4.08 0.00 1.66 1.62 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.12 4.24 0.00 1.98 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 2.22 1.87 0.00 137 G 8.20 3.82 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 0.00 0.00 0.00 138 N 8.12 5.58 0.00 2.39 2.66 0.00 0.00 6.61 7.67 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 0.00 139 V 9.00 4.72 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 0.65 0.00 0.00 0.93 0.00 0.00 140 K 8.73 5.05 0.00 1.44 1.77 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 0.85 7.81 *141 Y 8.77 4.15 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.15 4.26 0.00 2.06 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 2.23 1.94 0.00 143 D 7.97 4.76 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 F 8.27 4.18 0.00 2.27 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 0.00 0.00 0.00 0.00 145 V 7.94 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 146 K 7.91 4.31 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.32 7.81 147 K 8.25 4.38 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 148 V 7.98 3.91 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 0.93 0.00 0.00 0.93 0.00 0.00 149 M 7.92 4.43 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 150 A 8.04 4.32 1.36 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 0.00 0.00 151 G 7.78 4.12 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 0.00 0.00 0.00 152 P 0.00 4.28 0.00 2.10 1.97 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *153 Y 7.79 4.51 0.00 2.27 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 0.00 154 P 0.00 4.58 0.00 2.07 1.83 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.