NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4785 8.3349 116.7927 58.8775 62.9255 172.9513 0 D 4.7608 8.2907 122.7156 52.4699 41.8070 173.5520 1 C 5.0961 7.5574 112.7007 54.6356 44.7120 172.1406 2 Y 4.9702 8.0317 116.9959 55.2948 40.9405 174.5871 3 F 4.9629 8.6776 118.5361 55.6525 41.8620 177.3771 4 G 3.8569 8.9794 110.3509 47.4837 0.0000 174.1827 5 N 4.9032 8.9972 122.3935 51.8548 37.7852 174.7073 6 G 3.8776 8.4156 105.9934 47.0412 0.0000 175.1611 7 S 4.5564 8.4145 112.0490 59.0898 64.0915 175.0914 8 A 4.4005 7.9370 121.7633 52.4882 19.5683 176.6765 9 Y 4.2423 7.8843 117.9702 58.1498 39.3294 177.1513 10 R 4.5487 7.0226 126.4128 54.7901 31.2355 175.3836 11 G 3.9314 5.4653 106.5026 44.8165 0.0000 174.0662 12 T 3.0203 7.7844 106.6946 60.7735 69.3521 174.6191 13 H 4.3912 7.9895 120.2161 57.3907 29.3535 175.5936 14 S 4.9851 8.2969 113.2477 58.2804 64.2443 174.0284 15 L 5.2796 8.0844 120.1419 54.0385 44.8770 176.6484 16 T 4.5662 9.3972 114.7771 60.5632 70.6916 175.5415 17 E 4.1472 8.8702 121.2735 59.6207 29.4105 178.6740 18 S 4.3740 7.7381 110.4932 58.3009 62.8955 175.3585 19 G 3.8997 7.9846 109.6583 45.7108 0.0000 174.1011 20 A 4.3003 7.4140 121.0013 51.9088 19.9234 176.1181 21 S 5.0704 8.2881 113.7167 56.6733 64.0368 174.7117 22 C 4.6185 8.8713 124.6709 57.1644 40.6015 173.5639 23 L 4.5364 8.3615 123.0447 53.1822 42.5804 175.3382 24 P 4.4109 0.0000 0.0000 62.2867 32.3663 177.6880 25 W 4.1870 8.8733 121.3491 59.5826 29.1224 177.3835 26 N 4.7073 8.0463 113.3774 52.4715 37.3337 174.8828 27 S 4.1444 7.8793 115.5305 58.6859 62.7384 174.6228 28 M 4.2007 8.6258 126.7124 57.3368 32.1374 176.2621 29 I 4.0552 7.4987 116.6333 62.6765 38.7548 175.7260 30 L 4.2856 7.9198 119.0800 54.6105 41.8885 176.1598 31 I 3.7434 7.5742 119.7627 62.9613 37.9435 175.5519 32 G 4.0131 9.0807 116.1515 45.2051 0.0000 173.5286 33 K 4.3802 7.8460 118.8852 55.7608 33.2894 176.9748 34 V 3.7235 8.3518 119.6960 64.9646 31.9138 176.0378 35 Y 4.6150 7.8760 119.1041 56.7566 36.8588 174.3492 37 T 5.0400 7.8611 113.5843 59.6267 72.4115 175.2484 38 A 4.7768 8.6770 125.9766 54.9576 18.3412 179.9896 *40 Q 4.9417 7.8214 111.8966 54.0993 30.6775 180.6680 41 N 4.3144 7.8639 115.6318 54.1408 39.2886 173.9377 42 P 4.3191 0.0000 0.0000 65.1489 31.8015 177.1293 43 S 4.6027 8.8546 114.0120 58.0753 63.6392 175.6335 44 A 3.8465 8.1347 128.6828 56.2076 18.4045 180.9009 44A Q 3.9138 8.2575 113.4540 58.1796 28.4384 180.1245 44B A 4.0545 8.1080 120.3964 55.0634 18.2506 178.5129 44C L 4.1599 7.9811 112.7976 54.5574 42.1691 176.8311 45 G 3.6870 8.0504 107.0612 46.7703 0.0000 174.9867 46 L 3.8302 7.7411 121.6953 52.3316 41.5425 176.0226 47 G 4.2951 7.4698 116.8280 44.5807 0.0000 171.9980 48 K 4.4449 8.4959 116.4425 54.9645 30.8895 174.1143 48A H 4.5386 6.9428 115.0832 55.1674 31.2269 173.7902 49 N 5.1389 7.6060 114.9609 52.7927 37.5886 173.8717 50 Y 5.0048 8.0374 115.9897 58.5876 38.9235 176.2618 51 C 4.8028 8.9472 121.3950 57.4926 36.9594 173.6397 52 R 4.7282 8.8260 120.8256 54.2395 34.4201 173.6791 53 N 5.3697 8.2288 118.7002 51.6263 37.9233 172.8791 54 P 4.3129 0.0000 0.0000 63.8857 32.4762 177.5034 55 D 4.6534 7.2599 117.7306 52.6192 39.6295 175.5153 56 G 3.8021 8.3258 105.2905 47.5119 0.0000 174.3309 57 D 4.7371 8.6896 118.9297 52.3411 43.0433 175.0443 58 A 4.0935 9.6295 121.2209 54.4543 18.1108 177.5278 59 K 4.8754 7.5425 111.7831 56.6189 34.7162 171.8750 57 P 4.5171 0.0000 0.0000 61.4411 34.0433 176.0443 58 W 4.4335 9.6395 118.7209 59.4543 28.6108 175.8278 59 C 5.1054 7.5725 109.9831 58.6189 29.6162 169.8750 64 H 5.0353 7.7339 117.3843 56.2720 29.7990 174.9066 65 V 4.6550 8.7435 114.3403 59.7412 36.4902 174.3853 66 L 4.5300 8.5737 126.4035 53.9121 41.7223 176.3936 66A K 4.2265 9.9251 130.3375 55.8634 32.3527 176.0406 *67 N 3.9891 8.9049 124.5797 55.0213 33.9413 171.8349 *68 R 3.9357 8.1135 116.5211 56.9778 27.2646 177.3712 *69 R 4.5434 7.8344 116.7632 54.9646 31.5399 179.2616 70 L 4.6746 8.5041 126.1619 53.9584 42.5299 175.0564 71 T 4.7812 9.1444 124.5216 60.7761 69.7451 171.9324 72 W 6.0761 7.9304 115.0395 56.1484 31.1924 173.7324 73 E 4.0072 8.7429 118.3880 55.0326 33.3332 174.7082 74 Y 4.8700 8.3131 119.2992 58.6580 39.2294 176.4285 75 C 5.0699 9.0042 120.0688 55.8002 42.0464 172.3807 76 D 4.6342 8.3291 118.3480 54.4994 41.0555 176.4809 77 V 4.0182 7.4501 117.4436 60.5210 33.3780 173.1560 78 P 4.6054 0.0000 0.0000 62.4182 32.8959 175.3271 79 S 3.2641 8.3005 116.3586 58.1167 62.7265 174.8091 80 C 4.3134 8.3512 123.2300 58.2441 40.5001 174.1388 81 S 4.3277 7.9637 120.7665 58.4980 62.7486 173.7715 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 S 8.33 4.48 0.00 3.79 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 0 D 8.29 4.76 0.00 2.75 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 1 C 7.56 5.10 0.00 2.90 2.90 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 2 Y 8.03 4.97 0.00 3.06 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 3 F 8.68 4.96 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.98 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 5 N 9.00 4.90 0.00 3.21 3.11 0.00 0.00 5.89 6.94 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 6 G 8.42 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 7 S 8.41 4.56 0.00 4.02 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 8 A 7.94 4.40 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 9 Y 7.88 4.24 0.00 3.17 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 10 R 7.02 4.55 0.00 1.56 1.68 0.00 3.36 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 11 G 5.47 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 12 T 7.78 3.02 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 13 H 7.99 4.39 0.00 3.34 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.30 4.99 0.00 4.25 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.08 5.28 0.00 1.63 1.66 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 T 9.40 4.57 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 17 E 8.87 4.15 0.00 2.04 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 2.38 2.31 0.00 18 S 7.74 4.37 0.00 4.08 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 19 G 7.98 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 20 A 7.41 4.30 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.29 5.07 0.00 3.89 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 22 C 8.87 4.62 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.36 4.54 0.00 1.36 1.47 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.41 0.00 2.33 2.10 0.00 3.62 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 2.02 1.93 0.00 25 W 8.87 4.19 0.00 3.51 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 26 N 8.05 4.71 0.00 2.83 2.92 0.00 0.00 5.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.88 4.14 0.00 3.96 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 28 M 8.63 4.20 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 29 I 7.50 4.06 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.89 0.00 0.00 30 L 7.92 4.29 0.00 1.86 1.64 1.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.57 3.74 2.12 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 1.35 1.01 0.91 0.00 0.00 32 G 9.08 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 33 K 7.85 4.38 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.39 7.81 34 V 8.35 3.72 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 0.08 0.00 0.00 0.86 0.00 0.00 35 Y 7.88 4.61 0.00 3.66 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 37 T 7.86 5.04 4.55 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 1.33 0.00 0.00 38 A 8.68 4.78 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 Q 7.82 4.94 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 41 N 7.86 4.31 0.00 2.90 2.74 0.00 0.00 6.80 6.99 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 42 P 0.00 4.32 0.00 2.20 2.16 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 43 S 8.85 4.60 0.00 3.97 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 44 A 8.13 3.85 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 44A Q 8.26 3.91 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 44B A 8.11 4.05 1.31 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 44C L 7.98 4.16 0.00 1.54 1.58 1.03 0.86 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 45 G 8.05 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 0.00 0.00 0.00 46 L 7.74 3.83 0.00 1.48 1.19 0.91 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.47 4.30 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 0.00 48 K 8.50 4.44 0.00 1.75 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 48A H 6.94 4.54 0.00 1.85 3.01 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.61 5.14 0.00 2.81 2.75 0.00 0.00 5.98 7.55 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 50 Y 8.04 5.00 0.00 3.03 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 51 C 8.95 4.80 0.00 3.10 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 52 R 8.83 4.73 0.00 0.92 1.35 0.00 3.09 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.95 0.00 53 N 8.23 5.37 0.00 2.81 2.73 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 54 P 0.00 4.31 0.00 1.80 1.90 0.00 3.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.32 0.00 55 D 7.26 4.65 0.00 2.36 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 0.00 0.00 0.00 0.00 56 G 8.33 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 57 D 8.69 4.74 0.00 2.62 2.78 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 58 A 9.63 4.09 1.14 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 0.00 0.00 59 K 7.54 4.88 0.00 1.31 1.67 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.86 1.71 7.81 57 P 0.00 4.52 0.00 2.19 2.07 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 58 W 9.64 4.43 0.00 3.05 3.08 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 59 C 7.57 5.11 0.00 2.40 2.85 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 64 H 7.73 5.04 0.00 2.95 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.74 4.66 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 66 L 8.57 4.53 0.00 1.56 1.58 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66A K 9.93 4.23 0.00 1.73 1.71 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.34 1.47 7.81 *67 N 8.90 3.99 0.00 2.79 2.78 0.00 0.00 7.12 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 *68 R 8.11 3.94 0.00 1.91 1.85 0.00 3.18 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 *69 R 7.83 4.54 0.00 1.68 1.80 0.00 3.23 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 70 L 8.50 4.67 0.00 1.58 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.14 4.78 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 1.16 0.00 0.00 72 W 7.93 6.08 0.00 3.85 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.74 4.01 0.00 1.80 1.76 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 1.94 2.08 0.00 74 Y 8.31 4.87 0.00 3.21 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 75 C 9.00 5.07 0.00 3.04 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 76 D 8.33 4.63 0.00 2.84 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 77 V 7.45 4.02 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 0.60 0.00 0.00 0.57 0.00 0.00 78 P 0.00 4.61 0.00 2.14 2.11 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 79 S 8.30 3.26 0.00 3.46 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.35 4.31 0.00 2.43 2.90 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 81 S 7.96 4.33 0.00 3.76 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.