NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5603 8.1693 120.5598 54.5778 41.8701 175.1391 4 I 4.3369 8.3626 115.7511 57.3545 40.1552 174.4374 5 N 3.9333 8.7285 121.8641 54.1494 40.2294 175.7091 6 T 4.6413 8.4582 114.7276 61.6275 69.8829 175.7437 7 T 3.9118 8.3023 121.0455 66.9834 68.6381 176.0990 8 W 4.4919 8.6806 116.6190 59.9658 28.0241 177.5231 9 T 3.4315 6.4547 107.0890 64.6497 68.8921 175.5184 10 H 4.4864 7.6831 121.2529 54.6294 27.0825 175.8714 11 Q 4.0124 7.9141 123.5108 58.5560 30.0727 178.3841 12 E 3.8972 8.2828 115.5391 59.3007 29.1939 178.5468 13 L 4.4387 7.7052 115.7512 54.9901 42.7969 178.2720 14 V 3.8538 7.7011 118.5462 65.7452 31.6028 177.3917 15 N 4.3165 9.0384 117.3704 56.3797 38.3660 176.6925 16 N 4.2585 8.0105 117.8094 57.0414 38.9076 176.8506 17 Q 4.3045 8.0079 118.3956 58.1820 28.7264 178.2875 18 L 3.9700 7.5124 119.3661 58.7118 41.8344 178.3397 19 D 4.2176 8.3117 116.6692 58.4521 40.7203 178.3033 20 N 4.5853 8.9576 121.4269 54.9868 39.4841 175.8652 21 T 4.4259 6.9902 109.7481 59.9743 70.5691 174.3479 22 D 4.4248 8.4911 119.6782 54.9079 39.8474 176.5557 23 A 3.9818 7.0759 122.0370 52.7716 18.7062 176.9302 24 F 4.9706 8.1545 112.5513 55.8733 39.8938 174.6188 25 L 4.5805 7.3628 121.3015 53.4301 44.7481 174.8240 26 V 4.7094 8.4222 126.5688 61.1348 33.4744 174.4803 27 E 5.0235 9.6564 127.3826 54.7906 33.8968 174.8601 28 T 5.2394 8.4895 112.4080 60.4648 72.2876 172.5213 29 Y 5.2865 9.3243 119.3892 56.7763 43.2638 174.0784 30 S 5.2965 8.9966 117.3621 57.0649 65.3622 175.1396 31 A 4.3983 8.8879 127.0611 53.4930 21.1000 177.2547 32 G 3.9253 7.7890 108.2912 46.3928 0.0000 173.8473 33 N 4.8527 9.6051 117.7732 52.3218 38.1173 174.6221 34 T 4.3843 7.7392 110.5796 61.3599 70.1471 173.0515 35 D 5.3803 8.6868 125.6236 51.8546 42.4235 175.5891 36 V 4.7461 8.9755 120.6062 61.3409 34.6399 174.2064 37 V 4.6288 9.0337 129.3862 61.7972 33.2460 174.1927 38 F 5.4717 9.9571 131.7688 56.7129 41.6582 174.0365 39 T 5.4185 8.3263 115.5737 58.8511 72.5798 172.5692 40 Q 4.2498 7.6854 122.2156 54.0355 32.1682 173.7304 41 A 4.3425 7.9752 126.7574 48.6679 23.1873 173.4111 42 P 4.3495 0.0000 0.0000 64.0908 31.7179 177.6575 43 K 4.1801 10.0532 121.3078 56.0940 29.9326 175.7919 44 H 5.4868 7.4373 110.7752 55.8112 32.0687 173.6190 45 Y 4.5737 8.6684 120.2329 57.7407 39.3449 174.1040 46 E 5.5462 8.9065 119.6353 54.9615 34.6796 174.4806 47 L 5.2541 9.0836 122.3158 52.9871 45.5087 175.3346 48 L 5.2347 9.0280 123.9247 53.0040 44.7212 175.6387 49 I 5.2544 8.5691 124.1560 59.6985 41.1655 174.5286 50 S 4.8984 8.9220 120.0461 57.4366 66.4612 173.2641 51 N 5.2718 8.5345 119.5941 51.3723 40.9136 173.8888 52 K 3.9630 8.2487 124.8551 59.7579 32.5518 177.7536 53 H 4.1234 8.0542 117.0083 58.2141 29.1310 176.2160 54 R 4.6715 8.2992 113.5004 54.0284 32.6420 174.5603 55 A 4.2469 8.3712 120.2428 51.9876 19.0054 177.2488 56 V 4.1467 8.0566 119.7111 60.3438 33.1571 175.7737 57 K 4.4948 8.1729 123.1547 55.0562 34.0053 176.2267 58 D 4.8842 8.3414 122.5228 53.4482 40.1236 175.6989 59 N 4.7889 7.7241 117.1358 53.9218 43.4102 175.6411 60 E 3.9847 8.1443 119.7716 58.7294 29.8050 177.6535 61 L 3.8610 8.0454 121.3440 57.8909 41.0139 178.0693 62 E 4.0257 8.1745 118.7525 58.0256 29.9415 178.2178 63 V 4.2628 7.3337 116.2083 63.9550 33.3303 177.6214 64 I 3.9860 8.1372 121.1471 64.4265 36.5804 178.1185 65 R 4.2320 8.0580 118.8807 59.0860 29.9425 177.9672 66 E 3.8340 7.8137 118.3132 58.7639 29.6052 178.1007 67 F 3.9785 7.8247 119.4085 61.5744 39.3462 177.2704 68 F 3.4715 7.7012 115.6983 60.1440 38.3493 177.7308 69 L 3.8283 7.2270 117.6239 57.5480 41.4427 179.5264 70 K 3.9784 7.6492 117.3951 59.2437 32.1313 178.9949 71 R 4.1415 7.4772 116.9076 57.3793 30.6146 177.9496 72 K 4.4970 7.0592 113.1806 56.2443 33.3902 175.7009 73 I 3.6811 8.0844 121.4570 59.7618 37.0122 174.3298 74 D 4.4608 9.4418 127.7067 54.8968 40.3420 176.2943 75 K 4.5009 8.3164 126.5629 56.6500 32.5477 177.8353 76 D 4.7175 8.4008 120.5614 54.9425 41.5928 177.2978 77 I 4.6481 7.4886 110.0388 60.2989 39.7211 175.6822 78 V 4.6848 7.8425 122.9691 61.0220 32.8100 176.0532 79 L 4.3831 8.6329 124.0454 53.7371 43.4798 177.0204 *81 D 4.4960 8.3497 118.4613 53.1461 40.5999 175.7663 82 K 4.6780 8.1467 115.4185 56.4062 33.9319 176.5461 83 L 4.2814 8.0023 120.1117 55.0267 42.6175 176.5949 84 R 4.5425 8.4952 121.7569 55.0300 33.6216 173.6963 85 T 4.9358 8.5343 122.3042 61.6624 71.5590 173.4003 86 V 4.1545 8.6813 127.0469 61.5414 33.5150 173.8846 87 H 5.1533 8.6703 126.1618 54.6936 29.4533 174.8963 88 T 4.7543 8.6324 112.6565 59.2925 71.9843 174.6796 89 D 4.4083 8.7293 120.8992 57.5033 40.8618 178.6859 90 K 4.1163 7.6784 116.6790 59.0380 32.5089 177.2021 91 L 4.3255 7.3615 116.4851 54.2043 46.4950 173.3894 92 I 4.9788 8.8678 127.7679 59.6355 39.9539 174.1806 93 E 5.2018 9.0533 127.0207 54.5129 32.4420 175.0416 94 I 4.6842 8.8795 125.4845 59.6264 40.0696 174.6550 95 S 5.4752 8.8924 123.7301 56.4059 65.3431 173.5425 96 F 4.7230 9.2203 123.1483 54.8263 40.5393 173.2166 97 P 5.0553 0.0000 0.0000 63.1186 32.6127 175.5263 98 T 5.3688 8.2468 117.1559 62.3364 72.1266 174.3548 99 T 4.2203 9.3829 116.1113 64.1485 69.6325 174.9125 100 V 4.0512 7.4861 125.0416 61.6004 31.6451 174.7905 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 3 L 8.17 4.56 0.00 1.18 1.08 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.36 4.34 1.95 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 1.27 0.52 0.94 0.00 0.00 5 N 8.73 3.93 0.00 2.75 2.81 0.00 0.00 6.82 7.70 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 6 T 8.46 4.64 4.13 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 1.23 0.00 0.00 7 T 8.30 3.91 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 1.26 0.00 0.00 8 W 8.68 4.49 0.00 3.35 3.37 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 9 T 6.45 3.43 3.58 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 -0.24 0.00 0.00 10 H 7.68 4.49 0.00 3.21 3.27 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 11 Q 7.91 4.01 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.31 0.00 12 E 8.28 3.90 0.00 2.12 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 0.00 2.34 2.34 0.00 13 L 7.71 4.44 0.00 1.68 1.76 0.91 0.87 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 14 V 7.70 3.85 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 1.09 0.00 0.00 1.00 0.00 0.00 15 N 9.04 4.32 0.00 2.76 2.87 0.00 0.00 6.71 6.80 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 16 N 8.01 4.26 0.00 3.06 2.82 0.00 0.00 7.24 7.52 0.00 0.00 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 Q 8.01 4.30 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 18 L 7.51 3.97 0.00 1.78 1.75 0.94 1.54 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 19 D 8.31 4.22 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.96 4.59 0.00 2.64 2.87 0.00 0.00 7.16 7.57 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 21 T 6.99 4.43 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 22 D 8.49 4.42 0.00 2.85 2.86 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 23 A 7.08 3.98 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 24 F 8.15 4.97 0.00 2.88 3.06 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 0.00 0.00 0.00 25 L 7.36 4.58 0.00 1.63 1.21 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.42 4.71 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 0.87 0.00 0.00 0.89 0.00 0.00 27 E 9.66 5.02 0.00 2.35 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 2.34 2.36 0.00 28 T 8.49 5.24 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 1.17 0.00 0.00 29 Y 9.32 5.29 0.00 3.07 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 30 S 9.00 5.30 0.00 3.81 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 31 A 8.89 4.40 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 32 G 7.79 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 33 N 9.61 4.85 0.00 2.84 2.92 0.00 0.00 5.92 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 34 T 7.74 4.38 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 1.28 0.00 0.00 35 D 8.69 5.38 0.00 2.78 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 36 V 8.98 4.75 2.30 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 0.94 0.00 0.00 1.02 0.00 0.00 37 V 9.03 4.63 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 0.96 0.00 0.00 0.95 0.00 0.00 38 F 9.96 5.47 0.00 2.91 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.33 5.42 4.08 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 1.14 0.00 0.00 40 Q 7.69 4.25 0.00 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 41 A 7.98 4.34 1.11 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 0.00 0.00 42 P 0.00 4.35 0.00 2.14 2.11 0.00 3.85 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 43 K 10.05 4.18 0.00 1.93 2.08 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.36 7.81 44 H 7.44 5.49 0.00 3.31 3.36 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.67 4.57 0.00 2.76 2.59 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 46 E 8.91 5.55 0.00 1.81 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 2.10 2.37 0.00 47 L 9.08 5.25 0.00 1.71 1.54 0.99 -0.73 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 48 L 9.03 5.23 0.00 1.61 1.56 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.57 5.25 1.90 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 1.31 0.73 0.95 0.00 0.00 50 S 8.92 4.90 0.00 3.98 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 51 N 8.53 5.27 0.00 2.69 3.02 0.00 0.00 6.97 6.68 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 52 K 8.25 3.96 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 53 H 8.05 4.12 0.00 3.30 3.34 0.00 5.89 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 54 R 8.30 4.67 0.00 1.89 1.92 0.00 3.25 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 55 A 8.37 4.25 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 56 V 8.06 4.15 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 0.76 0.00 0.00 1.01 0.00 0.00 57 K 8.17 4.49 0.00 1.85 1.70 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.50 7.81 58 D 8.34 4.88 0.00 2.69 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 59 N 7.72 4.79 0.00 2.77 2.86 0.00 0.00 6.25 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 60 E 8.14 3.98 0.00 2.02 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 2.39 2.31 0.00 61 L 8.05 3.86 0.00 1.93 1.61 1.03 1.15 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 62 E 8.17 4.03 0.00 2.05 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 2.40 2.34 0.00 63 V 7.33 4.26 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 0.98 0.00 0.00 64 I 8.14 3.99 1.98 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 1.43 1.23 1.13 0.00 0.00 65 R 8.06 4.23 0.00 1.96 2.00 0.00 3.17 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 66 E 7.81 3.83 0.00 2.33 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 2.32 0.00 67 F 7.82 3.98 0.00 3.11 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 68 F 7.70 3.47 0.00 2.88 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 69 L 7.23 3.83 0.00 1.59 1.70 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.65 3.98 0.00 1.73 1.68 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.64 7.81 71 R 7.48 4.14 0.00 0.96 1.58 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.00 72 K 7.06 4.50 0.00 1.99 1.79 0.00 1.11 0.00 0.00 1.77 0.00 0.00 3.30 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.67 0.98 7.81 73 I 8.08 3.68 1.55 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.37 -0.08 0.00 0.00 74 D 9.44 4.46 0.00 2.85 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 75 K 8.32 4.50 0.00 1.76 1.79 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.54 7.81 76 D 8.40 4.72 0.00 2.90 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 77 I 7.49 4.65 1.97 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 1.54 1.19 0.98 0.00 0.00 78 V 7.84 4.68 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 0.74 0.00 0.00 1.15 0.00 0.00 79 L 8.63 4.38 0.00 1.67 1.65 0.96 0.77 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 *81 D 8.35 4.50 0.00 2.81 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 82 K 8.15 4.68 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.54 7.81 83 L 8.00 4.28 0.00 1.40 1.32 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.50 4.54 0.00 1.79 1.63 0.00 3.00 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 85 T 8.53 4.94 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 1.05 0.00 0.00 86 V 8.68 4.15 2.04 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 1.07 0.00 0.00 0.89 0.00 0.00 87 H 8.67 5.15 0.00 3.06 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.63 4.75 4.25 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 1.21 0.00 0.00 89 D 8.73 4.41 0.00 2.67 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 90 K 7.68 4.12 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.38 7.81 91 L 7.36 4.33 0.00 1.74 1.45 0.93 0.94 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 92 I 8.87 4.98 2.00 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 1.27 0.75 0.90 0.00 0.00 93 E 9.05 5.20 0.00 1.86 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 2.22 2.24 0.00 94 I 8.88 4.68 1.82 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 1.12 0.90 0.19 0.00 0.00 95 S 8.89 5.48 0.00 3.69 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 96 F 9.22 4.72 0.00 3.05 3.05 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 97 P 0.00 5.06 0.00 2.13 2.02 0.00 3.61 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 2.29 2.15 0.00 98 T 8.25 5.37 4.47 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 1.33 0.00 0.00 99 T 9.38 4.22 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 100 V 7.49 4.05 2.12 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 0.78 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.