NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4548 8.3193 116.7979 57.7676 64.4010 173.5426 -1 N 4.6143 8.7130 125.1914 53.0002 40.2040 174.3602 0 A 4.5533 7.4431 128.6089 51.9235 17.9581 180.9798 0 K 4.5533 7.4931 125.2089 55.6235 31.9581 179.7798 3 V 4.6891 8.1127 126.8191 60.8762 33.7780 173.8848 4 K 5.0424 9.3586 129.6330 54.6610 35.1437 174.5948 5 I 5.1622 8.5536 127.4467 59.8571 40.8021 173.8499 6 Y 4.9715 9.3350 125.8862 57.0467 39.7388 175.0738 7 T 5.1304 8.8347 113.3133 60.3495 73.3407 172.0212 8 R 4.8726 8.2597 116.9540 55.0930 32.8913 173.8613 9 N 4.6067 8.7826 116.0080 52.5827 40.2136 175.5066 10 G 3.7946 8.6833 107.7561 46.6975 0.0000 173.7649 11 C 4.5922 7.5480 120.9257 55.7629 31.9520 172.1040 12 P 3.5474 0.0000 0.0000 65.4677 30.8543 177.7186 13 Y 4.2223 7.5468 114.5420 61.1737 37.8700 178.3391 14 C 4.2642 8.2559 118.1760 62.5642 28.2032 176.2608 15 V 3.6008 7.4983 119.4383 65.7664 31.0102 177.9643 16 W 4.5039 7.9619 117.4724 59.8252 29.1346 177.8591 17 A 4.6430 8.5194 120.7350 55.5654 17.8094 179.4604 18 K 3.7134 8.2077 116.2018 59.8261 32.2740 179.0327 19 Q 4.5958 8.4328 117.6995 56.9588 28.8834 177.9334 20 W 4.0383 8.4825 131.3415 60.5814 30.7931 177.7859 21 F 4.1058 8.4250 117.1931 60.5828 38.1074 177.1608 22 E 4.1890 8.8679 118.6999 59.6191 29.2182 179.1473 23 E 4.1753 8.4810 115.1663 58.0108 29.9692 177.4598 24 N 4.4250 7.3291 115.8988 51.6810 39.9276 174.3827 25 N 4.1225 7.8061 116.6630 54.6341 36.3398 175.6297 26 I 4.5220 8.1137 116.2193 59.1713 40.0291 176.2382 27 A 4.0641 8.5939 129.0686 52.0095 18.9213 176.0762 28 F 5.0145 7.1709 115.0892 55.3726 41.8234 173.4829 29 D 4.6845 9.2607 120.4217 52.8749 42.2297 174.5125 30 E 4.9151 8.7666 127.6902 55.4078 31.2893 175.1795 31 T 4.4670 8.5071 123.6656 61.8789 70.8709 173.3581 32 I 4.7826 8.1933 127.3336 59.8572 38.7868 176.2711 33 I 4.2791 8.6660 126.5832 59.5594 38.3174 175.2653 34 D 4.3420 8.7823 125.8231 56.9890 41.7658 176.8536 35 D 4.4728 7.9209 118.4526 53.9482 42.4135 175.4407 36 Y 4.0434 8.9036 127.7270 61.0068 38.8375 178.0575 37 A 4.0558 8.3973 120.8866 55.3667 18.4694 179.1735 38 Q 3.8542 7.7399 117.4968 59.3870 29.0767 178.6056 39 R 3.5560 7.9127 119.0516 59.0916 30.0319 178.6547 40 S 4.0910 7.8544 112.8859 61.6331 62.2809 176.3062 41 K 3.8760 7.8804 120.7579 59.4741 31.5570 179.0113 42 F 4.0513 7.7784 119.6139 61.4896 39.4494 176.1732 43 Y 4.2330 7.7261 116.6651 61.3538 37.7580 178.5176 44 D 4.4694 8.0422 119.3356 57.5582 40.4584 179.2627 45 E 4.0002 7.9269 114.4069 57.6883 28.5542 178.3830 *47 N 4.6037 8.0336 118.7589 53.5183 40.4134 176.7299 48 Q 3.7821 7.7074 114.9052 57.9611 28.9567 177.5944 49 S 4.1245 7.5234 111.4340 58.9602 63.7960 175.6540 50 G 3.8992 7.8257 108.1617 45.4727 0.0000 174.7281 51 K 4.2816 7.7143 117.7854 57.0751 32.3207 177.2762 52 V 4.3944 7.0797 118.0497 59.6618 33.4240 175.7449 53 I 4.2581 8.3514 114.8910 61.2934 38.5225 175.3471 54 F 4.9771 7.0751 114.8505 54.3283 40.5029 172.1427 55 P 4.5371 0.0000 0.0000 62.7048 32.7332 174.1287 56 I 3.6031 9.0576 118.7483 60.8670 36.1644 176.7785 57 S 3.2852 9.4805 117.7577 57.2550 62.3959 169.1929 58 T 4.8696 6.7814 108.1049 59.8288 71.6489 172.9100 59 V 4.7155 8.1282 114.2625 58.7494 34.8071 174.1253 60 P 5.0061 0.0000 0.0000 62.9083 32.3409 175.8338 61 Q 4.9416 9.1281 120.3734 54.3205 32.5858 174.5118 62 I 5.0957 8.6768 124.0961 59.5176 40.7063 174.5497 63 F 5.3875 9.6848 124.5705 55.7540 42.8296 174.0528 64 I 5.3533 8.5646 123.3396 59.9893 40.3120 175.6065 65 D 4.4768 9.8020 127.5084 55.7293 38.2796 173.7164 66 D 4.6410 8.6337 113.3136 55.1456 38.3704 173.5951 67 E 4.7495 8.2297 119.3156 54.2947 31.6886 175.2730 68 H 4.1941 9.1172 123.9266 56.7083 30.4734 173.9791 69 I 4.1201 9.4140 128.0712 64.3634 39.1435 174.2833 70 G 3.9273 7.0762 109.3188 44.5984 0.0000 172.6518 71 G 4.3290 8.8927 115.0213 44.0619 0.0000 172.8916 72 F 4.0237 8.9041 119.8155 61.7184 39.2687 178.0727 73 T 3.8914 7.8041 108.8258 64.6481 68.3831 176.2590 74 E 3.8039 7.8908 120.2292 59.0126 29.8529 178.3818 75 L 3.6460 7.8723 120.6472 58.1045 41.9182 178.9618 76 K 3.3505 7.6959 118.1240 59.4163 31.7497 178.9472 77 A 3.9252 7.5089 119.7111 54.7116 18.5085 178.5049 78 N 4.6803 7.6472 112.2743 53.0515 38.9010 176.6107 79 A 3.8414 7.4131 125.7442 55.5714 18.3653 180.3641 80 D 4.3039 8.0036 116.3955 57.6275 40.9137 178.6155 81 K 3.8777 8.1423 117.0017 59.9206 32.2405 178.8750 82 I 3.9979 7.9185 119.5290 64.4915 36.9898 178.5432 83 L 4.1708 8.0704 117.9287 57.0058 41.4224 178.1693 84 N 4.8209 7.9443 115.0131 53.0803 38.7532 175.5462 85 K 4.4436 7.8729 119.3446 56.2534 33.1100 176.7733 86 K 4.2178 7.9814 123.4982 56.6655 32.0125 176.6973 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 S 8.32 4.45 0.00 3.89 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 -1 N 8.71 4.61 0.00 2.92 2.94 0.00 0.00 5.93 6.38 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 A 7.44 4.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 K 7.49 4.55 0.00 1.68 0.74 0.00 0.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.33 7.81 3 V 8.11 4.69 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 0.57 0.00 0.00 1.08 0.00 0.00 4 K 9.36 5.04 0.00 1.88 1.79 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.32 7.81 5 I 8.55 5.16 1.76 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.36 0.90 0.00 0.00 6 Y 9.34 4.97 0.00 3.02 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 7 T 8.83 5.13 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 8 R 8.26 4.87 0.00 1.88 1.95 0.00 3.12 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 9 N 8.78 4.61 0.00 2.73 2.77 0.00 0.00 6.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.68 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.55 4.59 0.00 2.94 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 12 P 0.00 3.55 0.00 1.23 0.87 0.00 3.45 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 13 Y 7.55 4.22 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.26 4.26 0.00 3.05 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 15 V 7.50 3.60 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 1.02 0.00 0.00 0.80 0.00 0.00 16 W 7.96 4.50 0.00 3.18 2.55 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 17 A 8.52 4.64 1.67 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 18 K 8.21 3.71 0.00 2.17 2.09 0.00 1.95 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.31 1.78 7.81 19 Q 8.43 4.60 0.00 2.46 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.81 2.46 0.00 20 W 8.48 4.04 0.00 3.52 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 21 F 8.43 4.11 0.00 3.62 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 22 E 8.87 4.19 0.00 2.32 2.14 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 2.52 2.78 0.00 23 E 8.48 4.18 0.00 2.04 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 2.50 2.15 0.00 24 N 7.33 4.42 0.00 2.08 2.39 0.00 0.00 7.05 9.12 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 25 N 7.81 4.12 0.00 2.86 2.85 0.00 0.00 6.67 7.15 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 26 I 8.11 4.52 2.37 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 1.26 0.00 0.00 27 A 8.59 4.06 1.17 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 0.00 0.00 28 F 7.17 5.01 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 29 D 9.26 4.68 0.00 2.74 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 30 E 8.77 4.92 0.00 2.32 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 2.25 2.36 0.00 31 T 8.51 4.47 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 1.15 0.00 0.00 32 I 8.19 4.78 1.85 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 1.49 1.46 0.90 0.00 0.00 33 I 8.67 4.28 1.71 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.47 0.78 0.00 0.00 34 D 8.78 4.34 0.00 2.61 2.69 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 35 D 7.92 4.47 0.00 2.80 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 36 Y 8.90 4.04 0.00 3.12 2.99 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 37 A 8.40 4.06 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 38 Q 7.74 3.85 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 39 R 7.91 3.56 0.00 1.91 1.51 0.00 3.25 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 40 S 7.85 4.09 0.00 3.81 3.96 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 0.00 0.00 0.00 41 K 7.88 3.88 0.00 2.03 1.86 0.00 1.86 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.59 7.81 42 F 7.78 4.05 0.00 2.80 2.89 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 43 Y 7.73 4.23 0.00 3.10 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 44 D 8.04 4.47 0.00 2.84 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 45 E 7.93 4.00 0.00 1.97 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 2.29 2.64 0.00 *47 N 8.03 4.60 0.00 2.78 2.85 0.00 0.00 7.06 7.74 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 48 Q 7.71 3.78 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.02 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 49 S 7.52 4.12 0.00 3.94 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 50 G 7.83 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.71 4.28 0.00 1.67 1.81 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.30 7.81 52 V 7.08 4.39 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 0.64 0.00 0.00 0.55 0.00 0.00 53 I 8.35 4.26 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.94 0.00 0.00 54 F 7.08 4.98 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 56 I 9.06 3.60 1.97 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 1.48 0.46 0.69 0.00 0.00 57 S 9.48 3.29 0.00 3.87 4.10 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 0.00 0.00 0.00 58 T 6.78 4.87 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 1.20 0.00 0.00 59 V 8.13 4.72 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 1.02 0.00 0.00 1.08 0.00 0.00 60 P 0.00 5.01 0.00 2.08 2.10 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 61 Q 9.13 4.94 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 62 I 8.68 5.10 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 1.01 0.00 0.00 63 F 9.68 5.39 0.00 2.98 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 64 I 8.56 5.35 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 1.04 0.00 0.00 65 D 9.80 4.48 0.00 2.87 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 66 D 8.63 4.64 0.00 2.89 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 67 E 8.23 4.75 0.00 2.25 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 2.26 2.26 0.00 68 H 9.12 4.19 0.00 3.37 3.16 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 9.41 4.12 1.88 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 1.22 1.00 0.81 0.00 0.00 70 G 7.08 3.93 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 0.00 0.00 0.00 71 G 8.89 4.33 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 72 F 8.90 4.02 0.00 3.13 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 73 T 7.80 3.89 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 1.18 0.00 0.00 74 E 7.89 3.80 0.00 2.15 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 0.00 2.53 2.33 0.00 75 L 7.87 3.65 0.00 1.47 1.17 -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.70 3.35 0.00 1.32 1.59 0.00 1.45 0.00 0.00 0.89 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 1.23 7.81 77 A 7.51 3.93 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 78 N 7.65 4.68 0.00 2.66 2.74 0.00 0.00 6.87 6.62 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 79 A 7.41 3.84 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 80 D 8.00 4.30 0.00 2.71 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 81 K 8.14 3.88 0.00 1.84 1.92 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 82 I 7.92 4.00 2.22 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 1.59 0.71 1.22 0.00 0.00 83 L 8.07 4.17 0.00 1.71 1.76 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.94 4.82 0.00 2.74 2.86 0.00 0.00 6.91 7.06 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 85 K 7.87 4.44 0.00 2.06 1.90 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 86 K 7.98 4.22 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.62 7.81 * Residues marked with a * may have inaccurate shift predictions.