NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2751 8.1593 117.3739 63.5695 69.5942 173.4164 2 S 4.4688 8.1842 120.6064 55.7235 65.2831 173.4401 3 K 3.9021 9.4263 122.3867 59.6828 32.8616 179.6928 4 K 3.8516 8.1162 118.1649 59.6316 31.8344 178.8338 5 K 4.1282 7.5980 116.1528 58.3280 32.1852 177.8207 6 R 4.4217 7.7323 116.3859 56.8335 30.7994 177.6765 7 Q 4.1592 7.8996 118.5556 57.0977 28.4228 175.9717 8 R 4.0352 7.5309 119.1175 58.4892 30.0944 176.2278 9 G 4.1116 8.9990 111.5668 45.6761 0.0000 174.4045 10 S 4.1424 8.0634 113.5900 58.8759 63.4050 174.3412 11 R 4.1856 7.9981 124.7768 57.0417 29.2638 176.5755 12 T 4.2936 7.6264 104.8996 61.3273 69.7072 174.1387 13 H 4.3659 8.3858 117.7446 55.9728 26.8646 175.7553 14 G 3.9486 8.4631 104.8861 45.7452 0.0000 175.0171 15 G 3.7391 8.3980 108.2718 46.0811 0.0000 175.8100 16 G 3.9161 7.9823 106.0852 44.3511 0.0000 173.2702 17 S 4.1734 8.6302 116.2637 58.9042 62.7623 175.0326 18 H 4.4366 8.8734 120.0069 56.7691 28.1967 175.7963 19 K 4.1947 7.8436 118.8309 56.9024 32.5159 177.5444 20 N 4.3550 8.0087 117.2664 56.2565 38.8045 177.3394 21 R 4.2894 7.4880 118.9409 55.2663 29.2339 177.6338 22 R 4.6297 7.3761 124.7085 56.2530 31.2889 177.5143 23 G 3.9465 8.4060 117.6839 46.1543 0.0000 173.3059 24 A 4.2590 8.7030 120.5092 54.3824 18.4379 179.9911 25 G 3.5651 8.0756 104.2917 47.7938 0.0000 174.5935 26 H 4.6269 8.1169 118.0854 57.4030 29.8631 175.5065 27 R 4.4051 8.1042 118.0707 55.8627 31.3619 176.5418 28 G 3.8584 8.3002 105.7724 46.7382 0.0000 173.7997 29 G 4.1429 7.1770 102.6106 43.9681 0.0000 174.7258 30 R 4.2319 8.5972 118.8973 56.3389 31.9614 177.4178 31 G 3.9953 8.2571 109.0783 47.4785 0.0000 174.0840 32 D 4.7677 8.4182 117.6777 54.1757 41.4285 176.0954 33 A 3.9816 7.3566 121.5630 53.5443 19.0935 179.0680 34 G 3.7687 8.9566 109.4179 45.6616 0.0000 175.1819 35 R 4.0871 7.5908 115.2594 57.4406 29.0990 177.1668 36 D 5.0754 7.8378 115.2699 52.6550 42.3799 175.3165 37 K 4.4660 9.0497 116.9547 57.2408 32.5184 177.2105 38 H 4.5210 9.8628 123.0861 58.4298 28.1628 176.4311 39 E 4.7079 7.6299 120.1648 55.5032 30.4440 177.9531 40 F 4.8317 8.1712 115.2599 59.1379 38.4825 175.0502 41 H 3.7193 5.8360 116.6499 57.4371 28.6872 175.1472 42 N 4.2153 8.8101 118.6385 53.9305 36.6961 173.8619 43 H 4.4692 7.7576 117.6544 55.0094 30.7633 174.8287 44 E 4.1543 8.5434 125.0585 55.5500 29.9247 175.2486 45 P 4.5398 0.0000 0.0000 62.3524 32.1913 176.0500 46 L 4.1783 8.0152 118.8902 54.7204 42.2591 175.9748 47 G 4.3238 8.0102 105.7998 43.3795 0.0000 173.2175 48 K 4.5790 7.9680 120.2105 55.0087 34.0256 176.4798 49 S 4.4404 8.4492 114.7064 58.1494 65.5419 175.8370 50 G 4.0170 8.9550 117.1403 45.6050 0.0000 171.2247 51 F 4.9539 8.1475 113.2215 55.8179 40.8543 173.1315 52 K 4.3049 8.3760 118.6386 54.5878 35.4047 176.6220 53 R 4.6119 8.1445 121.3873 54.0562 31.6675 174.6792 54 P 4.3830 0.0000 0.0000 62.8549 31.7066 177.5072 55 Q 3.9376 8.8297 121.1662 58.4000 28.7195 177.6060 56 K 4.3641 7.9626 114.4998 56.8606 33.1706 176.8342 57 V 4.3838 7.9668 119.1852 62.7272 31.7327 174.6107 58 Q 4.6849 8.0030 116.0639 53.4857 31.1873 174.7076 59 E 4.6775 8.6733 121.7261 54.7514 31.4307 175.0055 60 E 4.5072 8.4005 122.5910 54.2576 31.6979 174.6326 61 A 3.8420 8.2730 128.9140 51.0629 20.0507 176.1016 62 A 4.4320 8.7182 124.2367 51.0350 20.1750 176.7948 63 T 5.2931 8.1353 112.3647 59.7866 71.9590 173.5941 64 I 4.4151 7.8102 119.9434 60.2413 41.5988 172.7425 65 D 5.2162 8.5770 128.2538 53.2860 42.4760 177.7058 66 V 3.5921 8.5271 116.2808 64.8896 31.6044 178.7472 67 R 3.8136 7.7767 117.9255 59.6647 29.5250 178.0381 68 E 3.8516 7.9835 117.5032 59.3550 30.0169 178.4315 69 I 3.7845 7.6906 119.2366 64.4974 37.1410 177.4897 70 D 4.3351 8.7458 119.0212 57.6890 40.8753 178.2495 71 E 4.1794 8.0535 116.5187 58.0367 29.6054 177.3052 72 N 4.8893 7.7242 115.6765 52.7672 39.0390 176.4173 73 V 3.1946 7.1270 113.2683 65.1329 31.1670 178.2277 74 T 4.0674 7.5578 109.4317 65.3024 68.4909 175.8136 75 L 4.1895 7.1998 120.9366 56.8613 42.2389 177.7519 76 L 4.3992 8.2298 119.2867 54.5915 42.6464 178.8309 77 A 4.1650 8.2322 123.6761 55.1922 18.5799 179.4668 78 A 4.6155 7.4068 116.6106 52.0838 18.2108 177.0060 79 D 4.6606 8.5660 118.3814 55.6242 45.4529 175.4903 80 D 4.1846 7.5159 121.5592 52.2435 41.3329 176.2189 81 V 4.4862 7.9037 120.9555 61.1328 31.8416 175.5957 82 A 4.3502 7.5058 129.0468 51.3756 19.4744 178.0117 83 E 3.8073 8.8097 112.3774 59.5346 29.8225 177.1160 *89 F 4.5115 7.7163 117.8246 57.4760 40.9809 173.4263 90 R 5.1687 8.3773 121.4430 54.7506 31.7308 175.9672 91 V 4.4157 8.8191 125.7199 60.2812 35.1607 174.0921 92 D 4.6010 8.8843 125.5027 52.7273 40.4358 176.1316 93 V 3.7169 8.4775 128.3404 66.0544 31.6405 178.4805 94 R 3.5604 7.9153 117.5400 59.0701 29.9217 177.0014 95 D 4.6779 8.3857 115.4675 54.4455 41.3443 176.8383 96 V 4.0628 8.2981 119.7655 64.1726 32.7531 176.5961 97 V 3.6885 7.5450 118.7720 62.6404 31.5303 175.3838 98 E 4.1429 8.5485 126.3359 57.3323 29.9907 177.6651 99 E 4.1117 9.1329 117.7384 56.8756 27.6038 176.4445 100 A 4.1248 7.4616 121.1051 55.2013 18.4493 178.8606 101 D 4.4743 7.8993 115.3235 57.6589 40.9376 178.0728 102 D 4.6732 7.7745 117.9392 53.8051 39.7578 175.6914 103 A 4.6551 7.6077 120.5706 51.4690 22.0373 176.8355 104 D 4.6001 8.3643 119.2130 55.1921 41.6106 176.2816 105 Y 4.7816 6.7018 117.5146 56.8393 40.5060 171.9722 106 V 4.7527 9.4458 121.7616 61.1468 34.1704 174.3391 107 K 4.7192 9.1995 128.6118 54.6000 35.6424 174.6387 108 V 4.5583 8.3053 127.6474 61.8351 33.0445 174.7939 109 L 4.9047 9.3567 128.5031 52.6214 44.5592 176.6726 110 G 4.3574 7.8450 106.2063 45.9382 0.0000 174.0069 111 A 4.3281 7.9291 121.7150 52.2217 20.3336 178.9304 112 G 3.9172 8.9703 108.8214 44.2263 0.0000 171.9947 113 Q 4.5981 8.2257 117.8209 54.0744 31.7657 175.6098 114 V 4.2878 7.8486 117.5828 61.7453 32.3528 174.1452 115 R 4.4106 8.3694 124.1528 56.2483 29.8411 175.7950 116 H 5.2277 7.6596 114.5371 54.3953 33.6039 172.1488 117 E 4.9039 8.7944 117.4080 54.5158 30.5509 175.4677 118 L 5.1161 8.5783 124.0167 53.1171 45.8950 175.9464 119 T 4.8649 9.0498 119.8602 62.0804 70.0574 172.7448 120 L 5.0368 8.5645 126.9100 53.4717 44.0871 175.9039 121 I 5.4647 8.8028 123.6567 58.9821 39.8709 174.5298 122 A 4.8099 8.5684 127.1290 50.6275 22.3685 176.3652 123 D 4.4849 8.8819 118.4568 56.5145 41.9272 175.7852 124 D 4.7138 6.9776 114.7141 53.7880 45.3186 174.7512 125 F 5.4525 8.9242 121.0388 55.8210 43.4199 174.2786 126 S 4.6346 8.7996 115.6721 57.4407 64.9851 174.6236 127 E 3.9933 9.2552 122.8447 60.0135 29.2860 179.9392 128 G 3.6782 8.1979 104.3392 47.3878 0.0000 175.3299 129 A 4.0847 8.3579 123.6822 55.5277 18.4487 179.5655 130 R 3.7676 8.1433 116.2336 59.0455 30.2130 178.8674 131 E 3.8848 8.2357 117.7577 59.6197 29.5559 180.2487 132 K 3.9530 7.9329 117.7915 59.3943 32.2974 179.5585 133 V 3.5831 7.6506 118.3869 66.1603 31.3784 177.9276 134 E 4.5768 8.1716 120.0098 59.0046 29.1211 179.3626 135 G 3.8475 8.0017 104.3602 46.9407 0.0000 173.4572 136 A 4.6493 7.9093 123.4331 52.1144 19.7847 176.7732 137 G 3.9614 8.2644 105.3201 48.5955 0.0000 173.4248 138 G 4.4487 7.7609 105.5547 43.9589 0.0000 172.6299 139 S 5.1417 9.0905 113.3969 56.4275 67.0679 173.2375 140 V 4.4923 8.1282 119.3845 61.0427 34.1577 174.2280 141 E 4.6090 9.4266 127.8404 54.2848 31.9579 175.0677 142 L 4.8462 8.5990 127.9646 54.8718 43.0794 176.6875 143 T 4.1009 8.6065 123.4499 63.8526 69.6614 175.3505 144 D 5.2374 8.8149 122.8907 57.3469 40.5761 178.8028 145 L 4.0000 7.9526 118.8862 58.2615 42.2383 178.5998 146 G 4.4400 7.3923 103.1252 46.9889 0.0000 173.8371 147 E 4.4028 8.3109 122.3823 56.6253 28.2409 177.3012 148 E 4.8168 7.7650 112.6216 56.0288 31.3008 177.4998 149 R 4.3629 7.5950 119.8504 54.2498 29.5360 176.0569 150 Q 4.2963 8.1220 122.2376 56.7835 29.2896 173.3386 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 4.28 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 8.18 4.47 0.00 4.07 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 3 K 9.43 3.90 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.12 3.85 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 K 7.60 4.13 0.00 1.77 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.73 4.42 0.00 1.91 1.92 0.00 3.21 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 7 Q 7.90 4.16 0.00 1.86 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.97 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 8 R 7.53 4.04 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 9.00 4.11 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 0.00 10 S 8.06 4.14 0.00 3.97 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 11 R 8.00 4.19 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.26 7.39 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 7.63 4.29 4.32 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 1.33 0.00 0.00 13 H 8.39 4.37 0.00 3.25 3.39 0.00 5.69 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 8.46 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 0.00 0.00 0.00 15 G 8.40 3.74 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 0.00 0.00 0.00 16 G 7.98 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 0.00 0.00 0.00 17 S 8.63 4.17 0.00 3.88 3.76 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 18 H 8.87 4.44 0.00 3.31 3.36 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.84 4.19 0.00 1.73 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.33 7.81 20 N 8.01 4.36 0.00 2.73 2.67 0.00 0.00 6.97 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 21 R 7.49 4.29 0.00 1.76 1.88 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 22 R 7.38 4.63 0.00 1.73 1.33 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 23 G 8.41 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 0.00 0.00 0.00 24 A 8.70 4.26 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 8.08 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 8.12 4.63 0.00 3.18 3.47 0.00 5.89 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 8.10 4.41 0.00 2.09 1.87 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 28 G 8.30 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 29 G 7.18 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 0.00 0.00 0.00 30 R 8.60 4.23 0.00 1.90 1.86 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 1.71 1.63 0.00 31 G 8.26 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 0.00 0.00 0.00 32 D 8.42 4.77 0.00 2.74 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 33 A 7.36 3.98 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 34 G 8.96 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 0.00 0.00 0.00 35 R 7.59 4.09 0.00 1.50 1.84 0.00 2.72 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 36 D 7.84 5.08 0.00 2.73 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 9.05 4.47 0.00 1.76 1.61 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.52 7.81 38 H 9.86 4.52 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.63 4.71 0.00 1.92 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 0.00 2.25 2.05 0.00 40 F 8.17 4.83 0.00 3.21 3.26 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 41 H 5.84 3.72 0.00 2.89 3.05 0.00 5.79 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 8.81 4.22 0.00 2.84 2.91 0.00 0.00 7.00 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 7.76 4.47 0.00 3.34 3.23 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.54 4.15 0.00 2.03 1.90 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 2.33 2.30 0.00 45 P 0.00 4.54 0.00 2.19 2.09 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 2.00 2.01 0.00 46 L 8.02 4.18 0.00 1.66 1.64 0.91 0.91 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 8.01 4.32 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 0.00 48 K 7.97 4.58 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.45 4.44 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 50 G 8.95 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 0.00 0.00 0.00 51 F 8.15 4.95 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 52 K 8.38 4.30 0.00 1.71 1.64 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.38 7.81 53 R 8.14 4.61 0.00 1.80 1.91 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 54 P 0.00 4.38 0.00 2.23 2.21 0.00 3.79 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 2.11 2.03 0.00 55 Q 8.83 3.94 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 56 K 7.96 4.36 0.00 1.86 1.91 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 V 7.97 4.38 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 8.00 4.68 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 59 E 8.67 4.68 0.00 2.04 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 2.33 2.33 0.00 60 E 8.40 4.51 0.00 2.00 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 2.06 2.14 0.00 61 A 8.27 3.84 0.54 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 0.00 0.00 62 A 8.72 4.43 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.14 5.29 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 1.15 0.00 0.00 64 I 7.81 4.42 1.84 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 1.33 1.22 0.94 0.00 0.00 65 D 8.58 5.22 0.00 2.63 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 66 V 8.53 3.59 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 0.94 0.00 0.00 0.99 0.00 0.00 67 R 7.78 3.81 0.00 1.91 2.02 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.98 3.85 0.00 1.99 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 2.30 2.33 0.00 69 I 7.69 3.78 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.40 0.90 0.00 0.00 70 D 8.75 4.34 0.00 2.80 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 71 E 8.05 4.18 0.00 1.98 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 2.33 2.63 0.00 72 N 7.72 4.89 0.00 2.68 2.72 0.00 0.00 6.82 7.80 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 73 V 7.13 3.19 0.74 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 0.58 0.00 0.00 0.68 0.00 0.00 74 T 7.56 4.07 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 1.22 0.00 0.00 75 L 7.20 4.19 0.00 1.78 1.75 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.23 4.40 0.00 1.77 1.64 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.23 4.16 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 78 A 7.41 4.62 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 79 D 8.57 4.66 0.00 2.81 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 7.52 4.18 0.00 3.10 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 81 V 7.90 4.49 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 0.45 0.00 0.00 1.07 0.00 0.00 82 A 7.51 4.35 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 83 E 8.81 3.81 0.00 2.05 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 2.26 2.33 0.00 *89 F 7.72 4.51 0.00 3.00 3.29 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 90 R 8.38 5.17 0.00 1.82 1.86 0.00 3.24 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 91 V 8.82 4.42 2.13 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 0.73 0.00 0.00 0.95 0.00 0.00 92 D 8.88 4.60 0.00 2.73 2.88 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 93 V 8.48 3.72 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 0.87 0.00 0.00 0.99 0.00 0.00 94 R 7.92 3.56 0.00 2.09 2.00 0.00 3.22 0.00 0.00 3.39 7.36 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 8.39 4.68 0.00 2.71 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 96 V 8.30 4.06 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 0.73 0.00 0.00 0.93 0.00 0.00 97 V 7.55 3.69 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 0.81 0.00 0.00 0.96 0.00 0.00 98 E 8.55 4.14 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 2.38 2.31 0.00 99 E 9.13 4.11 0.00 2.17 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 0.00 2.25 2.22 0.00 100 A 7.46 4.12 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 7.90 4.47 0.00 2.67 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 0.00 102 D 7.77 4.67 0.00 2.91 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 0.00 103 A 7.61 4.66 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 0.00 104 D 8.36 4.60 0.00 2.72 2.88 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 0.00 105 Y 6.70 4.78 0.00 3.13 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 0.00 106 V 9.45 4.75 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 0.85 0.00 0.00 0.91 0.00 0.00 107 K 9.20 4.72 0.00 1.98 1.60 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.54 7.81 108 V 8.31 4.56 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 1.03 0.00 0.00 0.79 0.00 0.00 109 L 9.36 4.90 0.00 1.77 1.56 0.92 0.49 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 0.00 110 G 7.85 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 0.00 111 A 7.93 4.33 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 0.00 112 G 8.97 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 0.00 0.00 0.00 113 Q 8.23 4.60 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 114 V 7.85 4.29 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 0.95 0.00 0.00 0.94 0.00 0.00 115 R 8.37 4.41 0.00 1.69 1.84 0.00 3.11 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 116 H 7.66 5.23 0.00 3.06 3.31 0.00 5.68 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 4.90 0.00 2.07 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 0.00 2.26 2.22 0.00 118 L 8.58 5.12 0.00 1.64 1.64 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.05 4.86 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 1.23 0.00 0.00 120 L 8.56 5.04 0.00 1.88 1.89 1.08 0.73 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 8.80 5.46 1.94 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 1.19 1.96 0.97 0.00 0.00 122 A 8.57 4.81 0.61 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 0.00 0.00 123 D 8.88 4.48 0.00 2.85 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 0.00 124 D 6.98 4.71 0.00 2.65 2.40 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 0.00 125 F 8.92 5.45 0.00 2.84 2.92 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 0.00 126 S 8.80 4.63 0.00 3.96 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 0.00 127 E 9.26 3.99 0.00 2.07 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 2.55 2.43 0.00 128 G 8.20 3.68 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 0.00 0.00 0.00 129 A 8.36 4.08 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.77 0.00 2.01 1.88 0.00 3.12 0.00 0.00 3.23 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 131 E 8.24 3.88 0.00 2.05 2.02 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 2.34 2.54 0.00 132 K 7.93 3.95 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.65 3.58 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 1.08 0.00 0.00 1.06 0.00 0.00 134 E 8.17 4.58 0.00 1.97 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 2.27 2.24 0.00 135 G 8.00 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 0.00 0.00 0.00 136 A 7.91 4.65 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 0.00 137 G 8.26 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 0.00 0.00 0.00 138 G 7.76 4.45 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 0.00 0.00 0.00 139 S 9.09 5.14 0.00 3.78 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 0.00 140 V 8.13 4.49 1.70 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 -0.31 0.00 0.00 0.22 0.00 0.00 141 E 9.43 4.61 0.00 2.05 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 2.22 2.20 0.00 142 L 8.60 4.85 0.00 1.73 1.65 1.21 1.11 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 0.00 143 T 8.61 4.10 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 0.00 144 D 8.81 5.24 0.00 2.69 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 7.95 4.00 0.00 1.64 1.85 1.01 0.98 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 0.00 146 G 7.39 4.44 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 0.00 0.00 0.00 147 E 8.31 4.40 0.00 2.20 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 2.34 2.65 0.00 148 E 7.76 4.82 0.00 1.79 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 2.16 2.48 0.00 149 R 7.59 4.36 0.00 1.77 1.87 0.00 3.31 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 150 Q 8.12 4.30 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.