NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2857 8.1593 117.3738 63.5639 69.8541 173.6837 2 S 4.5204 8.2232 120.0054 55.7547 66.7495 173.3686 3 K 3.9896 9.2240 124.1213 59.7099 32.2754 179.7421 4 K 3.8142 8.0874 118.0528 59.7404 31.8363 178.9215 5 K 3.8827 7.8025 117.9748 59.3486 31.9981 178.1815 6 R 4.2193 7.8206 116.9519 57.5463 30.2306 178.3013 7 Q 3.9157 7.9744 118.7444 57.7069 28.5893 177.3335 8 R 4.0217 6.6600 115.0673 58.3122 30.4181 176.9453 9 G 3.9937 9.1438 111.1338 45.2552 0.0000 173.8542 10 S 4.2418 7.9399 113.3433 58.0732 63.2692 173.4006 11 R 4.0714 7.6661 123.3348 57.4225 29.4430 176.4211 12 T 4.1307 7.5569 105.9305 62.1136 69.6626 174.8072 13 H 4.8229 8.7228 117.1258 55.8088 26.9541 175.5734 14 G 4.0402 8.3265 108.3387 45.6054 0.0000 175.8543 15 G 3.8381 8.2424 107.3029 45.5113 0.0000 176.0656 16 G 3.7459 7.4538 107.5827 45.0478 0.0000 173.5358 17 S 4.0567 8.6729 114.7245 59.0674 62.5977 175.6735 18 H 4.3423 8.8680 121.7440 57.2994 28.2696 175.9868 19 K 3.9962 7.6245 119.0658 57.4569 31.6972 177.4945 20 N 4.3574 7.5103 117.8856 55.5285 39.0234 176.8009 21 R 4.3347 7.4263 123.3052 56.5965 29.4007 177.4237 22 R 4.4117 7.9115 121.8669 56.1907 31.2389 179.8554 23 G 4.0417 8.7448 122.7198 45.6171 0.0000 173.7326 24 A 4.3807 8.5654 120.7921 53.5417 18.4043 179.7746 25 G 3.5666 7.9453 104.8711 47.3977 0.0000 174.9384 26 H 4.5706 8.0477 118.0446 57.5669 30.0271 176.0922 27 R 4.5416 7.6845 116.9529 55.5812 31.1989 175.8025 28 G 3.8037 7.9286 106.8864 46.3526 0.0000 174.6193 29 G 4.0320 8.2829 105.9631 44.9158 0.0000 174.8552 30 R 4.0474 8.4819 120.3509 56.7978 31.6337 177.5778 31 G 3.9797 8.3509 108.6486 47.2605 0.0000 174.0043 32 D 4.7290 8.4106 116.8297 54.1694 41.4836 176.1372 33 A 4.0137 7.3491 120.9653 53.6934 18.9704 178.6103 34 G 3.8646 8.9675 109.3618 46.3569 0.0000 175.5183 35 R 3.9565 7.5394 115.4167 57.5571 29.2610 177.1975 36 D 5.0084 7.8813 115.6223 52.6422 41.5216 174.9667 37 K 4.5292 8.9145 118.1215 57.3434 32.2827 178.2220 38 H 4.5531 9.9902 124.7696 58.4601 28.9133 176.0696 39 E 4.7357 7.4038 120.7704 55.5135 29.8921 177.6805 40 F 4.9955 8.0196 113.7696 58.9928 38.7942 175.8829 41 H 3.6156 6.1738 115.3991 57.6060 29.0103 175.0213 42 N 4.1308 8.7418 118.2395 53.7370 35.3613 172.3887 43 H 4.5743 7.8015 112.8925 54.2493 33.1031 173.8344 44 E 3.9781 8.9682 124.9759 55.8187 29.7019 175.4028 45 P 4.4330 0.0000 0.0000 62.6176 31.7531 176.0329 46 L 4.1198 8.0973 118.9300 54.9019 42.1818 176.0273 47 G 4.3441 7.8775 106.1448 43.4082 0.0000 172.9507 48 K 4.6625 8.0032 120.3248 54.6341 34.3818 176.0932 49 S 4.5535 8.3393 114.9030 57.7178 65.8199 175.4878 50 G 3.7835 8.7827 113.2706 47.0600 0.0000 170.6301 51 F 4.9068 7.9453 113.2483 55.9086 40.6710 173.0590 52 K 4.3840 8.5585 118.5094 54.7379 35.2352 176.1688 53 R 4.6937 8.1876 121.4597 53.5926 31.9197 174.5944 54 P 4.2438 0.0000 0.0000 63.4174 31.0785 177.1710 55 Q 3.9536 8.9720 122.0941 58.4935 28.7983 178.0092 56 K 4.5070 7.9316 115.1987 56.6362 32.7480 177.0446 57 V 4.3642 7.9256 117.4051 62.7914 32.9453 175.5317 58 Q 4.4104 7.4985 116.9095 55.6283 29.6243 174.8164 59 E 5.3160 8.5090 119.7143 53.8779 31.9709 175.1417 60 E 4.4303 8.6741 124.5112 54.3044 31.0748 174.4750 61 A 3.8137 8.2343 128.8592 51.2682 19.9143 176.6324 62 A 4.4557 8.7175 124.3741 50.9337 19.9514 176.0788 63 T 5.0356 8.2883 111.8505 61.0452 70.9377 174.1867 64 I 4.7122 8.4199 123.7339 59.5131 42.1383 173.3580 65 D 5.3135 8.5324 127.0243 53.1130 42.8223 177.6071 66 V 3.5810 8.4861 116.4554 64.9935 31.7073 178.8891 67 R 3.8463 7.9399 118.1535 59.8002 29.6744 177.8912 68 E 3.9735 7.9402 117.2514 59.0682 29.8403 178.7016 69 I 3.8271 7.9750 120.3412 64.4366 37.3637 177.6772 70 D 4.3645 8.0952 118.3012 57.5834 40.8409 177.8431 71 E 4.3160 8.0714 116.9683 57.9841 29.5673 177.2257 72 N 4.9960 7.7342 115.9624 52.9127 39.8341 176.8551 73 V 3.2330 7.7854 113.6595 64.6962 31.5220 178.7388 74 T 4.0528 7.6021 107.5134 63.7002 68.6790 174.7120 75 L 4.3613 7.1393 119.8734 55.8786 42.6363 176.6178 76 L 4.4158 7.5673 118.9129 53.7943 41.8336 176.5443 77 A 4.1976 7.9611 123.4164 52.3221 19.6695 178.1732 *78 A 4.2906 8.0818 120.6251 51.8974 20.1006 177.3835 79 D 4.3809 8.5462 116.3500 55.1977 44.5448 174.7263 80 D 4.2376 7.4896 123.5890 51.6040 42.4246 176.3889 81 V 4.6296 7.8926 119.5128 61.2019 31.6158 175.3797 82 A 4.2778 7.6056 123.8447 51.6252 19.2060 177.4081 83 E 3.6911 8.8136 112.9584 59.2885 29.7766 176.6456 *89 F 4.5482 7.7095 117.7041 57.5439 41.1527 173.3171 90 R 5.2306 8.4327 120.5777 54.6421 32.0437 175.3915 91 V 4.3973 9.0956 125.6877 60.3199 35.0499 174.3628 92 D 4.8629 8.8895 125.1867 52.2111 40.1123 176.1208 93 V 3.3500 8.3670 126.2428 65.8536 31.7550 178.5138 94 R 3.3713 7.8860 117.3372 58.8340 29.9662 176.9265 95 D 4.8024 8.6806 116.7668 54.0078 41.0364 176.3413 96 V 4.1313 8.4474 119.0172 64.3318 33.1432 176.4290 97 V 3.6078 7.7042 117.6884 63.4328 31.4894 175.1033 98 E 4.3450 8.5478 125.2327 56.6903 30.7170 177.2776 99 E 3.9119 8.8609 118.9429 56.4958 27.4073 176.0738 100 A 4.0555 7.3838 120.6132 54.3657 18.1472 178.2693 101 D 4.5218 7.3556 117.2320 56.6580 41.4828 177.8404 102 D 4.6720 7.9363 115.9708 53.8745 39.2386 175.6904 103 A 4.8720 7.8082 122.9846 50.7054 21.0138 178.7113 104 D 4.3459 8.6764 121.7188 56.5228 41.2972 175.8744 105 Y 4.8323 6.3628 116.7140 56.7533 41.7903 172.3689 106 V 4.7781 8.6450 120.8539 61.3070 33.7858 174.4589 107 K 4.8800 9.1868 128.6078 54.5827 36.0311 174.6117 108 V 4.6943 8.5534 127.0231 61.4316 33.4806 174.8042 109 L 4.6785 9.4140 128.5860 53.4633 43.8796 176.6097 110 G 4.2935 8.1624 109.2910 44.7639 0.0000 172.0347 111 A 4.6896 8.5806 123.3251 51.7821 22.0818 177.8799 112 G 3.8373 8.9674 109.0558 44.5116 0.0000 172.3524 113 Q 4.4986 8.0837 117.6722 54.8807 30.6526 176.6901 114 V 4.6113 7.4696 116.6621 60.7713 31.4488 175.7420 115 R 4.4307 8.1127 123.0535 55.6677 29.8429 175.8058 116 H 5.0415 8.2075 113.9528 54.9438 33.7734 173.2015 117 E 4.9515 8.7909 118.1059 54.7467 30.4605 175.3087 118 L 4.9890 8.5202 124.5133 53.2659 45.2686 175.9832 119 T 4.7422 8.9363 119.8758 60.9884 68.8858 172.5374 120 L 4.9248 8.0010 124.8145 54.0397 44.2435 175.5514 121 I 5.7929 9.1679 122.8854 58.8560 40.1842 174.4658 122 A 4.8975 8.5408 127.2917 50.4004 22.8899 176.0475 123 D 4.4883 8.7471 117.7418 55.3396 41.7618 176.0259 124 D 4.5733 6.4981 119.0992 54.0206 44.1935 174.7950 125 F 5.4764 8.6678 121.0451 55.8698 43.6397 174.0558 126 S 4.5746 8.6801 114.7271 57.0697 65.2334 174.1234 127 E 3.9322 9.2426 120.3340 60.1256 29.1221 179.1852 128 G 3.8252 8.2156 104.3419 48.1608 0.0000 174.8531 129 A 4.0944 7.8896 122.1330 55.2152 18.2407 179.7208 130 R 3.7779 8.3438 116.7127 59.1440 30.1085 178.8976 131 E 3.8434 8.0342 117.7806 59.5652 29.6473 179.6562 132 K 4.1232 8.0813 118.4086 59.0508 31.9032 178.9783 133 V 3.6360 7.6247 118.2373 66.5544 31.4142 177.9716 134 E 4.7920 7.9743 119.5845 58.7977 29.1801 179.2861 135 G 3.8887 7.6148 103.1611 45.9815 0.0000 172.8751 136 A 4.6868 8.0529 123.9122 52.7161 19.6780 176.3281 137 G 4.3597 8.1707 105.1225 47.5841 0.0000 172.8145 138 G 4.4959 7.8346 103.4456 43.0328 0.0000 172.5126 139 S 5.2749 8.5843 114.5393 56.0538 66.5478 173.1469 140 V 4.3214 8.1385 120.0305 59.8371 33.8406 174.6068 141 E 4.6874 9.2622 123.4339 54.3301 32.7676 174.8708 142 L 4.8426 8.7548 127.2716 55.0864 43.1140 176.6707 143 T 4.2205 8.3549 122.0764 63.3075 69.6360 175.5307 144 D 4.3420 8.7383 122.3999 57.4645 41.2206 179.0127 145 L 3.9207 8.0611 120.0291 57.9381 42.1642 178.1560 146 G 4.0148 7.5110 106.3735 47.4703 0.0000 173.6113 147 E 4.3444 8.0049 121.5916 56.3681 27.8837 176.6496 148 E 4.4925 7.6684 113.7551 55.8100 31.7185 177.0491 149 R 4.2905 7.7175 118.8852 55.8862 29.7021 176.1241 150 Q 4.3141 8.3213 123.0728 56.9048 29.3614 173.2259 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 T 8.16 4.29 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 1.20 0.00 0.00 2 S 8.22 4.52 0.00 4.09 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 3 K 9.22 3.99 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.09 3.81 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.80 3.88 0.00 1.74 2.08 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.82 4.22 0.00 2.06 1.92 0.00 3.18 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 7 Q 7.97 3.92 0.00 1.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 8 R 6.66 4.02 0.00 1.86 1.92 0.00 3.33 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 9 G 9.14 3.99 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 0.00 0.00 0.00 10 S 7.94 4.24 0.00 3.98 3.99 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 11 R 7.67 4.07 0.00 1.98 2.04 0.00 3.22 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.56 4.13 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 1.29 0.00 0.00 13 H 8.72 4.82 0.00 3.24 3.40 0.00 5.60 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 14 G 8.33 4.04 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 0.00 0.00 0.00 15 G 8.24 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 0.00 0.00 0.00 16 G 7.45 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 17 S 8.67 4.06 0.00 3.86 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 18 H 8.87 4.34 0.00 3.31 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.62 4.00 0.00 1.72 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.27 7.81 20 N 7.51 4.36 0.00 2.76 2.55 0.00 0.00 6.97 7.47 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 21 R 7.43 4.33 0.00 1.77 1.90 0.00 3.16 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 22 R 7.91 4.41 0.00 1.73 1.09 0.00 3.15 0.00 0.00 3.20 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 G 8.74 4.04 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 0.00 0.00 0.00 24 A 8.57 4.38 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 25 G 7.95 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 26 H 8.05 4.57 0.00 3.21 3.49 0.00 5.91 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.68 4.54 0.00 1.90 1.90 0.00 3.31 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 28 G 7.93 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 29 G 8.28 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.48 4.05 0.00 1.90 1.87 0.00 3.27 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 31 G 8.35 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 32 D 8.41 4.73 0.00 2.74 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 33 A 7.35 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.97 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.54 3.96 0.00 1.72 2.11 0.00 2.75 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 1.58 1.58 0.00 36 D 7.88 5.01 0.00 2.72 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 37 K 8.91 4.53 0.00 1.87 1.53 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.99 4.55 0.00 3.30 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.40 4.74 0.00 2.19 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 2.14 1.97 0.00 40 F 8.02 5.00 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 6.17 3.62 0.00 2.94 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.74 4.13 0.00 2.78 2.78 0.00 0.00 6.87 8.16 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 43 H 7.80 4.57 0.00 3.32 3.21 0.00 5.91 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.97 3.98 0.00 1.97 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 2.33 2.32 0.00 45 P 0.00 4.43 0.00 2.18 2.10 0.00 3.79 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 2.01 2.03 0.00 46 L 8.10 4.12 0.00 1.66 1.65 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.88 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 48 K 8.00 4.66 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.34 4.55 0.00 3.78 3.67 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 50 G 8.78 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 51 F 7.95 4.91 0.00 3.13 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 52 K 8.56 4.38 0.00 1.73 1.67 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.39 7.81 53 R 8.19 4.69 0.00 1.80 1.91 0.00 3.40 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 54 P 0.00 4.24 0.00 2.23 2.25 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 55 Q 8.97 3.95 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 56 K 7.93 4.51 0.00 1.86 1.88 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 V 7.93 4.36 2.26 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.50 4.41 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 59 E 8.51 5.32 0.00 1.95 1.84 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 2.24 2.25 0.00 60 E 8.67 4.43 0.00 1.95 1.72 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 2.16 2.20 0.00 61 A 8.23 3.81 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 62 A 8.72 4.46 1.24 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 0.00 0.00 63 T 8.29 5.04 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 64 I 8.42 4.71 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 1.24 1.58 0.98 0.00 0.00 65 D 8.53 5.31 0.00 2.64 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 66 V 8.49 3.58 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 0.91 0.00 0.00 1.03 0.00 0.00 67 R 7.94 3.85 0.00 2.05 1.98 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 68 E 7.94 3.97 0.00 2.02 2.10 0.00 0.00 0.00 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 2.34 0.00 69 I 7.97 3.83 1.99 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 1.42 0.59 0.89 0.00 0.00 70 D 8.10 4.36 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.32 0.00 2.00 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 2.34 2.68 0.00 72 N 7.73 5.00 0.00 2.67 2.70 0.00 0.00 6.84 7.79 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 73 V 7.79 3.23 0.67 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 0.62 0.00 0.00 0.57 0.00 0.00 74 T 7.60 4.05 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 1.24 0.00 0.00 75 L 7.14 4.36 0.00 1.76 1.73 0.96 0.92 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 76 L 7.57 4.42 0.00 1.65 1.62 0.87 1.01 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 77 A 7.96 4.20 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 *78 A 8.08 4.29 1.24 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 0.00 0.00 79 D 8.55 4.38 0.00 2.92 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 80 D 7.49 4.24 0.00 3.09 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 81 V 7.89 4.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.09 0.00 0.00 82 A 7.61 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.81 3.69 0.00 2.04 2.10 0.00 0.00 0.00 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 2.34 0.00 *89 F 7.71 4.55 0.00 2.99 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.43 5.23 0.00 1.77 1.83 0.00 3.23 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 9.10 4.40 2.10 0.00 0.00 0.00 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 0.95 0.00 0.00 92 D 8.89 4.86 0.00 2.73 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 93 V 8.37 3.35 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 0.91 0.00 0.00 1.02 0.00 0.00 94 R 7.89 3.37 0.00 2.15 2.01 0.00 3.21 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 95 D 8.68 4.80 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.45 4.13 2.23 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 0.75 0.00 0.00 0.93 0.00 0.00 97 V 7.70 3.61 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 0.83 0.00 0.00 0.99 0.00 0.00 98 E 8.55 4.35 0.00 2.05 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 2.35 2.31 0.00 99 E 8.86 3.91 0.00 2.18 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 2.25 2.27 0.00 100 A 7.38 4.06 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 0.00 101 D 7.36 4.52 0.00 2.66 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 0.00 102 D 7.94 4.67 0.00 2.75 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 0.00 103 A 7.81 4.87 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 0.00 104 D 8.68 4.35 0.00 2.57 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 0.00 105 Y 6.36 4.83 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.64 4.78 2.17 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 0.88 0.00 0.00 0.93 0.00 0.00 107 K 9.19 4.88 0.00 2.01 1.66 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.56 7.81 108 V 8.55 4.69 2.38 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 1.10 0.00 0.00 0.96 0.00 0.00 109 L 9.41 4.68 0.00 1.84 1.57 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.16 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 0.00 111 A 8.58 4.69 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.97 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 0.00 0.00 0.00 113 Q 8.08 4.50 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.17 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 114 V 7.47 4.61 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 1.41 0.00 0.00 0.94 0.00 0.00 115 R 8.11 4.43 0.00 1.72 1.82 0.00 3.24 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 116 H 8.21 5.04 0.00 3.18 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.79 4.95 0.00 2.05 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 2.26 2.19 0.00 118 L 8.52 4.99 0.00 1.63 1.63 1.01 0.77 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 0.00 119 T 8.94 4.74 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 1.23 0.00 0.00 120 L 8.00 4.92 0.00 1.72 1.80 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 I 9.17 5.79 1.94 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 1.19 0.70 1.01 0.00 0.00 122 A 8.54 4.90 0.67 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 0.00 0.00 123 D 8.75 4.49 0.00 2.77 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 0.00 124 D 6.50 4.57 0.00 2.54 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 0.00 0.00 0.00 0.00 125 F 8.67 5.48 0.00 2.89 2.93 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 0.00 0.00 0.00 126 S 8.68 4.57 0.00 3.96 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 0.00 127 E 9.24 3.93 0.00 2.07 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 2.52 2.42 0.00 128 G 8.22 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 0.00 129 A 7.89 4.09 1.56 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 0.00 0.00 130 R 8.34 3.78 0.00 2.01 1.88 0.00 3.15 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 131 E 8.03 3.84 0.00 2.06 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 0.00 2.32 2.45 0.00 132 K 8.08 4.12 0.00 1.87 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 133 V 7.62 3.64 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 1.00 0.00 0.00 0.98 0.00 0.00 134 E 7.97 4.79 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 2.43 2.21 0.00 135 G 7.61 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.05 4.69 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 0.00 137 G 8.17 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 0.00 0.00 0.00 0.00 138 G 7.83 4.50 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 0.00 139 S 8.58 5.27 0.00 3.86 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 0.00 140 V 8.14 4.32 1.66 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 0.41 0.00 0.00 -0.80 0.00 0.00 141 E 9.26 4.69 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 142 L 8.75 4.84 0.00 1.77 1.62 1.11 1.12 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 0.00 143 T 8.35 4.22 4.38 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 1.25 0.00 0.00 144 D 8.74 4.34 0.00 2.71 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 0.00 145 L 8.06 3.92 0.00 1.60 1.86 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.51 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.00 4.34 0.00 2.05 1.94 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 2.34 2.46 0.00 148 E 7.67 4.49 0.00 1.80 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 2.16 2.52 0.00 149 R 7.72 4.29 0.00 1.77 1.90 0.00 3.31 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 150 Q 8.32 4.31 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.