NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3758 8.4293 116.7539 55.7018 31.5038 174.6686 3 E 4.5938 8.5752 119.8533 53.6594 31.6573 173.5025 4 A 5.0521 8.0953 123.1639 50.3746 23.5499 176.8099 5 V 4.5380 8.5806 118.4047 60.0491 35.1108 174.1065 6 L 5.0175 8.6320 123.8575 53.4657 42.6898 176.0797 7 T 4.3892 8.7314 114.4618 61.6882 70.9794 174.4489 8 G 4.1519 7.0785 108.6384 46.0377 0.0000 171.9857 9 V 5.1089 8.4517 118.9266 59.5888 33.7792 174.9440 10 A 4.8927 9.0576 125.9277 50.3700 21.9888 174.9990 11 T 5.1663 8.3531 116.7485 62.1308 72.1393 173.2715 12 D 4.7372 8.7083 122.7103 52.7005 45.3586 175.4395 13 K 5.0627 8.5848 126.1848 56.8971 33.0234 176.6279 14 S 4.7007 8.4439 114.4568 59.4884 64.3209 173.1039 15 E 5.3103 8.1348 119.1731 54.8549 32.5798 175.0112 16 A 4.9184 8.6737 123.2961 50.4225 22.3786 175.5353 17 K 4.9505 9.1621 121.1281 54.4799 34.9276 175.4018 18 V 4.8016 8.2772 126.3640 60.0670 34.8910 174.3993 19 T 4.8491 8.3144 120.4920 61.6782 71.6850 173.2517 20 V 4.0603 8.6943 127.9509 61.8261 32.8105 174.5500 21 L 4.6894 8.9508 129.8603 53.7686 43.3106 177.3801 22 G 4.0693 9.3934 113.2872 46.4126 0.0000 173.0987 23 I 3.8620 7.6913 119.4885 59.5316 39.1395 174.6783 24 S 4.5956 8.5307 121.7345 58.1833 64.2639 174.6682 25 D 4.6466 8.0591 126.3334 52.8797 39.4192 175.0382 26 K 4.7035 7.2502 120.4559 53.8075 36.4632 174.8585 27 P 4.2358 0.0000 0.0000 64.1498 32.0850 176.4423 28 G 4.1227 8.9370 109.4770 46.0172 0.0000 175.7932 29 E 4.0290 8.0845 118.9981 59.3441 29.4070 178.9384 30 A 4.0525 8.0848 120.1406 55.1291 18.4990 179.1233 31 A 4.0581 8.1669 118.7297 55.3630 18.2657 179.6181 32 K 3.8562 7.9544 116.3310 59.7715 32.2506 179.5830 33 V 3.5656 7.2782 117.3175 66.1662 31.3830 178.0373 34 F 4.2316 7.7588 116.8991 59.8678 38.7772 177.7972 35 R 3.8686 8.1339 118.3890 59.4525 29.9080 178.0556 36 A 3.9821 7.6497 120.3715 55.4407 18.3789 179.4628 37 L 3.8967 7.7110 116.3207 58.0106 41.6280 179.7706 38 A 4.0197 8.5783 120.8670 55.3216 18.0859 179.4371 39 D 4.2848 8.6288 116.6071 57.2987 41.0006 178.3040 40 A 4.1195 7.8267 119.0293 52.1731 18.5352 176.7284 41 E 3.6737 8.0991 117.1446 57.0596 28.4732 174.1633 42 I 4.0501 7.6157 118.7875 59.6436 37.3973 175.9238 43 N 4.5770 8.5949 125.4102 52.6412 37.9357 174.3836 44 I 3.9322 8.0761 126.3704 62.8500 37.8826 173.8578 45 D 4.5954 9.2829 123.6280 55.2650 42.7489 177.0268 46 M 4.4296 6.4522 115.5169 55.3763 34.3464 176.5321 47 V 5.0550 8.1828 120.9527 61.2929 34.9480 174.1950 48 L 4.7463 9.3301 129.4405 53.4676 45.3566 174.5798 49 Q 4.8647 8.7103 126.7168 53.5240 31.5817 174.1299 50 N 4.8330 8.5651 125.9438 51.9225 41.3538 174.4120 51 V 3.8781 7.9989 111.2427 61.0915 32.0569 176.0994 52 F 4.6326 8.6499 117.5103 56.6660 38.8835 174.5574 53 S 4.5566 8.7767 116.3137 56.4926 64.0839 175.4635 54 V 3.9913 8.5239 119.2468 64.7124 31.6016 177.2870 55 E 4.1034 8.5222 120.0106 60.4006 29.4598 178.8737 56 D 4.4775 8.0138 115.9866 54.2878 40.1575 178.9989 57 G 3.9735 9.2352 107.8184 46.5975 0.0000 172.6980 58 T 4.8541 7.7213 107.4975 60.2961 73.3025 171.8706 59 T 5.1559 9.0419 115.6770 61.0650 71.2487 171.4784 60 D 5.3814 8.6206 119.8831 52.4911 44.9908 175.2302 61 I 5.0641 8.2930 122.2429 59.7655 40.3122 174.6407 62 T 5.2473 8.9530 117.6636 59.9862 71.6343 173.3397 63 F 5.6043 8.8455 117.9920 55.7396 41.9277 173.3565 64 T 5.4673 9.0014 110.2729 60.0233 71.9540 172.6865 65 C 5.0943 8.2837 116.0471 56.4518 33.6339 170.8993 66 P 4.6159 0.0000 0.0000 63.3199 31.5222 177.7270 67 R 3.9243 9.3588 125.3148 59.9266 29.8407 178.8501 68 S 4.2109 8.0739 111.8061 60.9883 63.2465 174.9700 69 D 4.7581 8.2438 120.9642 54.1442 40.6940 178.2815 70 G 3.7204 8.0667 110.5645 48.8314 0.0000 176.8551 71 R 2.8100 7.3496 123.1554 60.1243 29.3419 180.7780 72 R 4.0090 7.7814 117.5977 59.1790 29.8609 178.4498 73 A 4.0575 8.2229 120.9020 55.8138 18.1491 179.4741 74 M 4.0807 7.3390 114.8622 58.8059 32.4275 177.9747 75 E 4.1399 8.4538 119.0729 59.3032 29.4299 179.2502 76 I 3.7357 8.0041 119.3006 63.6669 37.4413 177.4699 77 L 4.4818 7.6602 118.2253 55.4686 41.7277 178.7781 78 K 4.0525 7.6588 118.6936 59.1964 32.3252 178.9890 79 K 4.0492 7.8893 118.5413 59.2410 31.8596 179.2351 80 L 3.7091 7.5756 117.9705 57.2691 41.9044 178.5492 81 Q 3.0173 7.3890 119.7255 57.2063 28.6465 176.3026 82 V 4.0471 6.6404 113.2776 59.8514 33.0394 174.9166 *85 N 4.8745 8.0603 123.9988 52.6533 39.6575 177.5634 86 W 4.9329 8.3299 113.3002 56.1577 29.3757 176.0929 87 T 4.0098 8.5508 119.2475 66.2532 68.2416 173.8446 88 N 4.5273 7.4810 118.0574 53.3714 42.3322 173.6352 89 V 5.0714 8.5916 120.9263 60.1554 34.2548 174.4484 90 L 5.1998 8.7647 123.2543 53.0932 46.1339 174.6433 91 Y 5.2289 8.2488 116.8474 55.8076 41.6960 174.2798 92 D 4.3820 9.4362 120.1575 52.5628 44.3593 174.7648 93 D 5.1954 8.6280 125.9045 52.5780 40.7624 176.3028 94 Q 4.9866 8.3902 116.5569 56.5659 29.1887 175.3196 95 V 4.7981 7.9856 117.3514 59.8713 34.3171 175.7858 96 G 4.3110 9.5782 110.5327 44.2712 0.0000 171.3534 97 K 5.1923 9.0857 123.2411 54.2988 35.0138 174.9894 98 V 5.0881 8.5527 126.6085 61.3973 35.0010 174.3654 99 S 5.2719 8.9731 121.4708 56.9589 67.8392 172.6037 100 L 4.4433 9.0176 126.2588 53.9883 43.3899 175.1537 101 V 4.4068 8.6242 127.2736 61.5355 33.2908 174.5824 102 G 4.1500 8.1021 113.5076 47.0855 0.0000 171.7355 103 A 4.3481 8.6972 119.8487 52.3486 23.6068 178.0114 104 G 4.0503 8.7031 109.9305 46.2404 0.0000 174.8009 105 M 4.3986 8.0622 118.8379 56.2475 32.3092 178.6491 106 K 3.9335 7.8150 119.7152 59.4117 32.3626 177.8708 107 S 4.3864 7.9926 109.7062 59.5270 63.7212 173.9305 108 H 4.8976 7.7146 118.7325 53.2929 28.7254 172.3472 109 P 4.5995 0.0000 0.0000 64.3503 31.7452 178.6152 110 G 3.7007 8.1306 106.2557 47.8084 0.0000 175.6412 111 V 3.9031 7.9232 120.4937 66.4076 31.5950 178.2757 112 T 3.8729 8.0028 114.6148 66.5176 68.2566 176.0803 113 A 4.0270 7.9404 122.1568 55.5610 18.4871 179.4911 114 E 4.0095 8.8912 117.0482 59.4039 28.9547 179.4939 115 F 4.3196 8.9061 120.9279 61.8383 39.5335 177.1454 116 M 4.3612 8.4502 118.2758 58.6296 31.8619 178.6961 117 E 4.0169 8.6595 118.7592 59.2084 29.4392 179.3074 118 A 3.9452 8.1543 121.0199 55.0862 18.4349 179.7247 119 L 4.0395 7.6449 116.9835 57.6902 41.6670 179.8345 120 R 3.9542 8.0271 116.2729 59.4651 29.1498 178.4040 121 D 4.6006 7.9678 117.5959 55.1305 40.9625 177.2021 122 V 4.2790 7.1086 117.6487 61.7766 31.8213 175.0397 123 N 4.1120 7.6126 115.7135 55.6043 37.8979 173.8181 124 V 4.3547 7.5413 109.1457 59.2640 33.7029 175.2781 125 N 4.7710 8.5104 122.3692 52.1472 40.1623 174.0943 126 I 4.2815 8.2028 126.0379 60.5975 38.1415 175.2592 127 E 4.4043 8.6659 125.4855 58.0757 30.5714 176.7305 128 L 4.7794 7.6405 119.3010 53.5799 45.9049 174.8698 129 I 5.0026 8.1411 124.3300 59.8479 41.3519 175.2073 130 S 4.5044 8.7222 120.0777 57.8838 65.4617 173.2691 131 T 5.2444 8.4565 116.9072 60.2548 71.8692 172.9513 132 S 4.5924 8.9633 115.8391 57.0776 66.2771 174.1376 133 E 4.2020 8.7883 118.2639 58.4649 30.2652 178.5309 134 I 4.3958 7.6667 111.5622 59.1434 39.4669 175.0549 135 R 4.7708 7.6793 120.0192 55.9734 34.3904 173.4580 136 I 4.4627 8.5674 128.0297 59.9189 38.6362 174.5172 137 S 5.3872 8.4852 123.2846 56.1846 65.7901 174.0156 138 V 4.9941 8.7932 114.8014 59.8987 36.6569 174.0487 139 L 5.2627 8.7941 122.5012 53.4718 44.4170 175.9203 140 I 5.0253 8.7883 122.8010 59.5379 42.7612 174.5621 141 R 4.3775 8.5866 121.6850 56.4795 30.5260 178.2079 142 E 4.0019 8.7304 120.1193 59.4533 29.6513 178.4794 143 D 4.5546 8.0579 116.8656 55.7377 41.2345 176.6930 144 D 4.7663 8.0480 119.1780 53.9263 41.1384 177.8003 145 L 3.9351 7.7959 123.0344 58.3007 42.2736 178.2699 146 D 4.3750 8.2142 118.1135 57.7426 40.7122 178.8670 147 A 4.0646 7.9490 120.0261 54.5970 18.4733 179.4714 148 A 3.8159 8.1301 119.2520 55.2323 18.4431 179.6203 149 A 3.8537 8.0515 119.3564 55.3143 18.5235 179.7017 150 R 3.8397 7.9047 116.6266 59.6949 30.1374 178.5422 151 A 3.9770 8.1563 120.6468 55.1747 18.4112 179.5883 152 L 4.0817 8.1438 117.7880 57.8576 41.6541 179.3131 153 H 4.2481 8.4601 116.6239 58.9073 28.7247 177.7273 154 E 3.9371 8.1266 120.1859 59.5684 29.1377 179.2761 155 Q 3.8507 7.8368 118.2098 58.2883 29.0239 177.1756 156 F 4.6711 7.6302 115.7800 56.0399 40.2803 176.0805 157 Q 3.2414 7.5247 115.7716 57.4884 26.5588 173.0398 158 L 4.9297 8.0298 116.3194 53.2529 45.4724 177.7719 159 G 3.6968 8.3491 107.5277 46.2840 0.0000 173.0580 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 E 8.43 4.38 0.00 2.01 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 2.13 1.88 0.00 3 E 8.58 4.59 0.00 2.14 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 2.20 2.38 0.00 4 A 8.10 5.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.58 4.54 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 0.80 0.00 0.00 0.92 0.00 0.00 6 L 8.63 5.02 0.00 1.51 1.51 0.87 0.76 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 7 T 8.73 4.39 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 1.20 0.00 0.00 8 G 7.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.45 5.11 2.03 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 0.48 0.00 0.00 0.81 0.00 0.00 10 A 9.06 4.89 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 11 T 8.35 5.17 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 1.23 0.00 0.00 12 D 8.71 4.74 0.00 2.72 2.47 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 13 K 8.58 5.06 0.00 1.75 1.82 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.41 7.81 14 S 8.44 4.70 0.00 3.90 4.14 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 15 E 8.13 5.31 0.00 1.86 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 2.24 2.45 0.00 16 A 8.67 4.92 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 17 K 9.16 4.95 0.00 1.75 1.60 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.26 7.81 18 V 8.28 4.80 2.03 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 0.18 0.00 0.00 0.63 0.00 0.00 19 T 8.31 4.85 4.20 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 1.17 0.00 0.00 20 V 8.69 4.06 1.69 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 -0.51 0.00 0.00 0.77 0.00 0.00 21 L 8.95 4.69 0.00 1.76 1.57 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.39 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 23 I 7.69 3.86 1.10 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.77 0.00 0.00 24 S 8.53 4.60 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.06 4.65 0.00 2.61 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.25 4.70 0.00 1.90 1.81 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 27 P 0.00 4.24 0.00 2.06 2.03 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 28 G 8.94 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 29 E 8.08 4.03 0.00 2.09 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 2.45 2.74 0.00 30 A 8.08 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.06 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 32 K 7.95 3.86 0.00 2.13 1.96 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 33 V 7.28 3.57 1.54 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 0.38 0.00 0.00 0.83 0.00 0.00 34 F 7.76 4.23 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.13 3.87 0.00 2.16 1.95 0.00 3.29 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 36 A 7.65 3.98 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 37 L 7.71 3.90 0.00 1.85 1.70 0.92 0.45 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 38 A 8.58 4.02 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 39 D 8.63 4.28 0.00 2.78 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 40 A 7.83 4.12 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 41 E 8.10 3.67 0.00 2.08 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 2.21 2.31 0.00 42 I 7.62 4.05 2.02 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 1.22 0.71 1.00 0.00 0.00 43 N 8.59 4.58 0.00 2.70 2.79 0.00 0.00 7.28 7.94 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 44 I 8.08 3.93 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 1.15 0.71 0.95 0.00 0.00 45 D 9.28 4.60 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 6.45 4.43 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 47 V 8.18 5.05 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 0.84 0.00 0.00 0.78 0.00 0.00 48 L 9.33 4.75 0.00 1.72 1.47 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.71 4.86 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 50 N 8.57 4.83 0.00 2.71 2.72 0.00 0.00 7.26 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.00 3.88 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 0.75 0.00 0.00 0.80 0.00 0.00 52 F 8.65 4.63 0.00 3.28 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 53 S 8.78 4.56 0.00 4.00 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 54 V 8.52 3.99 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 0.81 0.00 0.00 0.93 0.00 0.00 55 E 8.52 4.10 0.00 1.96 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 2.33 2.40 0.00 56 D 8.01 4.48 0.00 2.67 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 57 G 9.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.72 4.85 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 1.32 0.00 0.00 59 T 9.04 5.16 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 1.22 0.00 0.00 60 D 8.62 5.38 0.00 2.57 2.44 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 61 I 8.29 5.06 1.81 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 1.33 0.79 1.15 0.00 0.00 62 T 8.95 5.25 4.20 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 1.19 0.00 0.00 63 F 8.85 5.60 0.00 3.38 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 64 T 9.00 5.47 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 1.23 0.00 0.00 65 C 8.28 5.09 0.00 3.10 3.30 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 0.00 0.00 0.00 0.00 66 P 0.00 4.62 0.00 2.12 2.06 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 67 R 9.36 3.92 0.00 2.01 1.98 0.00 3.26 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 68 S 8.07 4.21 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.76 0.00 2.88 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 70 G 8.07 3.72 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 0.00 0.00 0.00 71 R 7.35 2.81 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 72 R 7.78 4.01 0.00 1.97 1.99 0.00 3.10 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 73 A 8.22 4.06 1.60 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 74 M 7.34 4.08 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.83 0.00 75 E 8.45 4.14 0.00 2.16 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 2.32 2.47 0.00 76 I 8.00 3.74 2.01 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 1.67 0.75 0.92 0.00 0.00 77 L 7.66 4.48 0.00 2.00 2.00 1.16 0.87 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 78 K 7.66 4.05 0.00 1.68 1.86 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.65 7.81 79 K 7.89 4.05 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 80 L 7.58 3.71 0.00 1.51 1.25 0.83 0.81 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 81 Q 7.39 3.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.75 0.00 82 V 6.64 4.05 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 0.68 0.00 0.00 0.91 0.00 0.00 *85 N 8.06 4.87 0.00 2.61 1.99 0.00 0.00 7.27 7.95 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 86 W 8.33 4.93 0.00 3.43 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 87 T 8.55 4.01 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 88 N 7.48 4.53 0.00 2.83 2.67 0.00 0.00 6.70 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.59 5.07 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 1.05 0.00 0.00 1.07 0.00 0.00 90 L 8.76 5.20 0.00 1.60 1.55 0.91 0.55 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 91 Y 8.25 5.23 0.00 2.97 2.81 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 92 D 9.44 4.38 0.00 2.62 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 5.20 0.00 2.78 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 94 Q 8.39 4.99 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 95 V 7.99 4.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 96 G 9.58 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 9.09 5.19 0.00 1.80 1.66 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 98 V 8.55 5.09 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 1.00 0.00 0.00 0.96 0.00 0.00 99 S 8.97 5.27 0.00 3.79 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 0.00 100 L 9.02 4.44 0.00 1.93 1.58 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.62 4.41 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 0.96 0.00 0.00 0.92 0.00 0.00 102 G 8.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.70 4.35 1.19 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 0.00 0.00 104 G 8.70 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.06 4.40 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 106 K 7.81 3.93 0.00 1.84 1.91 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 107 S 7.99 4.39 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 7.71 4.90 0.00 3.16 3.27 0.00 5.62 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 P 0.00 4.60 0.00 2.27 2.30 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 110 G 8.13 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 0.00 111 V 7.92 3.90 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 1.07 0.00 0.00 1.03 0.00 0.00 112 T 8.00 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 113 A 7.94 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.89 4.01 0.00 2.25 1.74 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 2.27 2.47 0.00 115 F 8.91 4.32 0.00 3.51 3.25 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 0.00 116 M 8.45 4.36 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.02 0.00 117 E 8.66 4.02 0.00 2.14 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 2.34 2.47 0.00 118 A 8.15 3.95 1.22 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 0.00 119 L 7.64 4.04 0.00 1.77 1.74 0.99 0.65 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 0.00 120 R 8.03 3.95 0.00 2.06 2.21 0.00 2.76 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 121 D 7.97 4.60 0.00 2.68 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 0.00 122 V 7.11 4.28 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 0.73 0.00 0.00 0.91 0.00 0.00 123 N 7.61 4.11 0.00 2.76 2.85 0.00 0.00 6.93 7.49 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 0.00 124 V 7.54 4.35 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 0.94 0.00 0.00 125 N 8.51 4.77 0.00 2.66 2.70 0.00 0.00 7.07 7.94 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 0.00 126 I 8.20 4.28 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.99 0.00 0.00 127 E 8.67 4.40 0.00 2.05 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 2.29 2.25 0.00 128 L 7.64 4.78 0.00 1.66 1.44 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.14 5.00 1.84 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 1.22 0.78 0.81 0.00 0.00 130 S 8.72 4.50 0.00 3.86 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 0.00 131 T 8.46 5.24 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 1.03 0.00 0.00 132 S 8.96 4.59 0.00 3.87 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 0.00 133 E 8.79 4.20 0.00 1.93 2.03 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 2.38 2.30 0.00 134 I 7.67 4.40 1.93 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 1.07 1.49 0.89 0.00 0.00 135 R 7.68 4.77 0.00 1.86 1.71 0.00 3.03 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 136 I 8.57 4.46 1.40 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.83 -0.24 0.00 0.00 137 S 8.49 5.39 0.00 3.88 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 0.00 138 V 8.79 4.99 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 0.95 0.00 0.00 1.13 0.00 0.00 139 L 8.79 5.26 0.00 1.57 1.55 0.92 1.07 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 0.00 140 I 8.79 5.03 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 1.27 1.02 0.90 0.00 0.00 141 R 8.59 4.38 0.00 1.91 1.85 0.00 3.37 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 142 E 8.73 4.00 0.00 2.19 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 2.43 2.29 0.00 143 D 8.06 4.55 0.00 2.69 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 0.00 144 D 8.05 4.77 0.00 2.85 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 0.00 145 L 7.80 3.94 0.00 2.08 1.67 0.99 1.02 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 0.00 146 D 8.21 4.37 0.00 2.72 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 A 7.95 4.06 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.13 3.82 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 0.00 149 A 8.05 3.85 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 0.00 150 R 7.90 3.84 0.00 2.07 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 151 A 8.16 3.98 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 0.00 152 L 8.14 4.08 0.00 1.56 1.67 0.32 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.46 4.25 0.00 3.31 3.43 0.00 5.62 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 0.00 154 E 8.13 3.94 0.00 2.01 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 2.33 2.57 0.00 155 Q 7.84 3.85 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.26 0.00 0.00 0.00 0.00 0.00 1.93 1.43 0.00 156 F 7.63 4.67 0.00 3.20 3.01 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 0.00 157 Q 7.52 3.24 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 158 L 8.03 4.93 0.00 1.70 1.64 0.93 0.78 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 0.00 159 G 8.35 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 * Residues marked with a * may have inaccurate shift predictions.