NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8547 8.1633 118.3522 55.3779 33.1319 174.3853 2 E 4.5812 8.9834 123.3927 53.3430 31.2840 174.1095 3 R 4.0768 8.5088 121.8777 58.4687 31.4481 176.6734 4 G 4.0296 9.2376 113.0637 45.0245 0.0000 172.9605 5 E 4.7936 8.0108 119.4656 56.1900 31.3419 175.6043 6 I 5.0242 8.9872 124.3591 59.6986 39.4922 174.7425 7 W 5.1136 9.3431 126.8554 54.6827 32.8252 174.2984 8 L 5.0504 9.0476 126.9141 54.2564 42.9746 175.7384 9 V 4.8402 8.5405 124.7696 60.3216 35.2679 173.3347 10 S 4.6447 8.7026 118.0645 58.4296 62.5879 173.7641 11 L 4.4654 8.7760 126.4770 54.8627 42.1078 176.6284 12 D 4.6591 7.5180 119.5057 52.9236 41.6396 174.3262 13 P 4.6469 0.0000 0.0000 62.3924 32.5624 174.8055 14 T 4.6933 8.0282 107.8719 59.9731 72.2416 172.5823 15 A 4.7650 8.9801 123.8582 51.1965 22.6360 177.0759 16 G 3.6902 8.2664 109.4518 47.5478 0.0000 174.8876 17 H 4.5300 8.8700 120.9598 55.9405 28.8440 175.2185 18 E 4.0302 7.8378 120.2313 56.0399 29.8103 176.7873 19 Q 3.9468 8.6433 123.6402 56.7258 29.4377 175.9069 20 Q 4.4491 8.6865 123.5378 54.6291 31.4923 175.3766 21 G 3.9404 9.2819 105.2568 45.4672 0.0000 172.2319 22 T 4.9487 7.9794 115.4031 62.4215 69.4655 174.8788 23 R 4.6493 8.6463 121.7014 54.4304 33.6330 172.4928 24 P 5.0293 0.0000 0.0000 62.8966 32.5839 176.1311 25 V 4.9175 9.1998 115.9405 59.5676 36.4653 174.0310 26 L 5.0943 8.9014 125.7105 53.4333 44.2060 175.4586 27 I 4.2697 8.7580 128.1629 61.5391 37.5544 176.8697 28 V 3.8699 8.7967 128.1656 64.8509 32.2719 176.7361 29 T 4.0282 7.5584 108.9861 59.8971 70.0314 172.9756 30 P 4.5353 0.0000 0.0000 61.9515 33.6710 177.0176 31 A 4.5954 8.8778 121.2414 54.8158 18.1293 179.7871 32 A 3.9478 8.0342 118.3867 55.2827 18.4753 179.3729 33 F 3.9826 8.2615 118.5919 61.6773 39.4104 176.9673 34 N 4.4668 8.5639 116.1176 56.1959 38.0684 177.5013 35 R 3.9459 8.1247 119.7208 59.4356 30.3125 178.5152 36 V 3.6862 7.6678 117.0746 65.9397 31.6442 177.5797 37 T 4.0324 7.9101 110.5514 62.3562 68.9915 176.0360 38 R 3.9732 7.7560 117.2564 56.8575 27.8446 180.7163 39 L 5.4009 8.0895 116.3711 51.9923 41.2410 174.7311 40 P 4.7322 0.0000 0.0000 62.4161 33.3920 176.7049 41 V 4.5921 8.3313 121.7201 62.1315 33.0242 175.2518 42 V 5.0299 8.8657 120.0711 59.6914 36.4466 174.7156 43 V 4.8069 8.4541 115.0049 58.9541 35.1529 173.8190 44 P 4.7922 0.0000 0.0000 62.5297 33.2437 174.7118 45 V 4.9474 8.3539 121.6975 61.6325 33.1715 174.8398 46 T 4.9172 8.7355 117.0288 59.5932 72.6780 173.1431 47 S 4.4999 8.6104 118.8647 58.0532 64.3972 175.1246 *51 F 4.3384 8.0808 117.5358 56.5520 38.6105 174.7124 52 A 4.6755 7.5722 127.2890 50.7908 21.2198 177.0253 53 R 4.6099 7.9901 117.9874 54.4410 32.0363 177.0906 54 T 4.0528 8.2648 117.3146 64.1133 69.1505 174.0885 55 A 4.4024 9.2964 127.9519 52.1530 23.3414 175.7838 56 G 3.5615 8.3306 112.8628 47.1309 0.0000 175.4900 57 F 4.3134 8.6377 122.4303 58.2924 39.2677 174.0428 58 A 5.0365 8.1050 124.7349 50.7782 20.2355 176.3263 59 V 4.4503 8.4302 123.5048 61.3900 33.4137 175.1758 60 S 4.5312 8.8992 124.0213 58.4704 62.7844 173.6915 61 L 4.5577 8.5558 125.4742 54.6078 42.1577 176.4966 62 D 4.2963 8.0156 120.2467 55.3290 41.6025 176.2652 63 G 3.9130 8.8996 113.2560 46.2627 0.0000 174.1100 64 V 4.1070 7.8949 110.0520 60.6580 32.2186 176.6284 65 G 3.8670 8.4447 108.0260 45.3759 0.0000 173.2485 66 I 4.3479 7.4214 114.6468 59.4833 39.9293 176.4876 67 R 4.1678 9.0569 119.3059 58.9151 29.5474 177.0329 68 T 4.0375 8.5100 115.9644 63.6394 68.8043 173.9790 69 T 4.5470 8.1796 115.5780 60.0206 72.1396 173.2558 70 G 4.0054 8.7272 105.0764 44.0131 0.0000 172.7672 71 V 4.9130 8.6753 113.4239 59.5253 36.4967 175.1317 72 V 4.2764 8.9237 124.1976 62.4712 33.0794 175.5168 73 R 4.9242 9.0649 128.6433 55.2113 29.0944 176.9777 74 C 4.3333 9.1227 121.5813 61.5357 28.5166 174.7048 75 D 4.0453 7.8976 117.5350 53.9218 39.9082 176.1064 76 Q 4.6131 7.5090 118.0703 54.3224 29.1319 173.7626 77 P 4.7139 0.0000 0.0000 63.2378 32.8798 177.5276 78 R 4.6382 8.8886 121.3627 55.3852 34.0408 173.7118 79 T 4.9103 8.5414 123.1800 62.9103 69.3525 174.1179 80 I 4.5840 8.6305 119.3928 59.1576 41.8551 174.6522 81 D 4.9118 8.5527 123.6901 53.1021 40.1488 176.2822 82 M 4.0223 8.4732 127.8981 58.7355 32.3260 178.3192 83 K 3.9978 7.9056 123.0009 59.8734 31.8403 180.7138 84 A 4.2429 8.2889 121.2698 54.8976 18.3987 179.3655 85 R 4.1767 8.0806 114.3328 56.3349 30.4297 176.9118 86 G 3.8815 8.0978 106.9674 46.2569 0.0000 174.3992 87 G 4.1144 8.3420 108.5469 46.6720 0.0000 174.7379 88 K 4.7024 9.0062 124.5331 52.6810 35.5180 176.5007 89 R 2.6227 7.4204 126.0025 55.3592 29.9935 175.3086 90 L 4.4529 8.3622 126.6919 55.3031 43.3213 176.0940 91 E 4.7445 7.1495 113.6129 56.3187 32.3654 174.1976 92 R 5.1239 8.6456 117.6918 54.6441 33.0435 176.3579 93 V 4.3239 8.4512 115.2318 59.2884 33.6522 174.6777 94 P 4.4348 0.0000 0.0000 62.5385 32.0783 177.6317 95 E 4.0338 8.8322 120.5508 59.6316 29.2574 179.7816 96 T 3.8624 7.9177 109.5190 64.9585 68.6980 176.3328 97 I 3.6509 7.6765 122.3327 64.1369 37.1622 177.8173 98 M 4.0273 7.9180 118.7518 58.9260 32.0054 178.0540 99 N 4.3420 8.6463 116.9798 56.1115 38.6445 177.0566 100 E 3.9153 8.2263 120.9668 59.1230 29.7234 179.0580 101 V 3.5868 7.9393 118.2759 66.0897 31.6200 177.9364 102 L 4.0978 8.3155 119.1933 57.7362 41.1961 179.7507 103 G 3.6428 8.0514 104.7747 47.9012 0.0000 175.6560 104 R 4.1472 8.0360 120.6343 59.0825 30.0672 179.2493 105 L 4.0940 8.1725 118.7483 57.7437 39.9677 179.4578 106 S 4.1141 8.3762 113.5639 61.4187 62.0409 176.1363 107 T 4.1105 7.8540 111.1857 63.4707 68.6730 175.5891 108 I 4.5092 7.1660 113.0547 60.7108 39.2879 175.9659 109 L 4.6746 7.9651 119.6566 54.1493 41.8436 176.5022 110 T 4.1779 7.6380 114.8964 62.1885 68.4315 173.2763 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 M 8.16 4.85 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 2 E 8.98 4.58 0.00 2.09 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 2.34 2.51 0.00 3 R 8.51 4.08 0.00 1.89 1.85 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 4 G 9.24 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 0.00 0.00 0.00 5 E 8.01 4.79 0.00 2.40 2.20 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 2.43 2.51 0.00 6 I 8.99 5.02 1.90 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 1.28 0.67 0.96 0.00 0.00 7 W 9.34 5.11 0.00 3.20 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 8 L 9.05 5.05 0.00 1.75 1.56 0.96 0.73 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 9 V 8.54 4.84 2.20 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 0.64 0.00 0.00 0.98 0.00 0.00 10 S 8.70 4.64 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.78 4.47 0.00 1.77 1.69 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.52 4.66 0.00 2.62 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 13 P 0.00 4.65 0.00 2.17 2.04 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 14 T 8.03 4.69 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 1.37 0.00 0.00 15 A 8.98 4.77 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 16 G 8.27 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 17 H 8.87 4.53 0.00 3.12 3.35 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.84 4.03 0.00 2.08 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 2.35 2.28 0.00 19 Q 8.64 3.95 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 20 Q 8.69 4.45 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 21 G 9.28 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 0.00 0.00 0.00 22 T 7.98 4.95 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 1.24 0.00 0.00 23 R 8.65 4.65 0.00 1.88 2.01 0.00 2.79 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 24 P 0.00 5.03 0.00 2.13 2.04 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 25 V 9.20 4.92 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 0.81 0.00 0.00 1.03 0.00 0.00 26 L 8.90 5.09 0.00 1.74 1.53 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.76 4.27 2.03 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.57 0.93 0.00 0.00 28 V 8.80 3.87 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 0.67 0.00 0.00 0.89 0.00 0.00 29 T 7.56 4.03 3.66 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 0.08 0.00 0.00 30 P 0.00 4.54 0.00 2.32 2.22 0.00 3.50 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 2.11 2.00 0.00 31 A 8.88 4.60 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.95 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 33 F 8.26 3.98 0.00 3.08 3.15 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 34 N 8.56 4.47 0.00 2.95 2.84 0.00 0.00 6.71 7.23 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 35 R 8.12 3.95 0.00 1.86 2.21 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 36 V 7.67 3.69 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 0.81 0.00 0.00 0.92 0.00 0.00 37 T 7.91 4.03 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 0.44 0.00 0.00 38 R 7.76 3.97 0.00 2.02 1.90 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 39 L 8.09 5.40 0.00 1.41 1.59 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.73 0.00 1.99 2.19 0.00 3.98 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.56 0.00 41 V 8.33 4.59 1.92 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 0.90 0.00 0.00 0.89 0.00 0.00 42 V 8.87 5.03 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 0.62 0.00 0.00 0.95 0.00 0.00 43 V 8.45 4.81 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 0.70 0.00 0.00 0.93 0.00 0.00 44 P 0.00 4.79 0.00 2.12 2.17 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 45 V 8.35 4.95 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 0.88 0.00 0.00 0.96 0.00 0.00 46 T 8.74 4.92 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 1.28 0.00 0.00 47 S 8.61 4.50 0.00 3.90 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 *51 F 8.08 4.34 0.00 2.35 2.21 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 52 A 7.57 4.68 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 53 R 7.99 4.61 0.00 1.80 1.85 0.00 3.39 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 54 T 8.26 4.05 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 1.27 0.00 0.00 55 A 9.30 4.40 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 56 G 8.33 3.56 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 0.00 0.00 0.00 57 F 8.64 4.31 0.00 3.12 3.10 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 A 8.11 5.04 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 59 V 8.43 4.45 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 0.79 0.00 0.00 0.96 0.00 0.00 60 S 8.90 4.53 0.00 3.98 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 61 L 8.56 4.56 0.00 1.67 1.68 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.02 4.30 0.00 2.64 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 63 G 8.90 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 0.00 0.00 0.00 64 V 7.89 4.11 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 0.81 0.00 0.00 1.01 0.00 0.00 65 G 8.44 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.42 4.35 2.20 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 1.28 0.83 0.96 0.00 0.00 67 R 9.06 4.17 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 68 T 8.51 4.04 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 1.23 0.00 0.00 69 T 8.18 4.55 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 1.27 0.00 0.00 70 G 8.73 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 71 V 8.68 4.91 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 0.69 0.00 0.00 1.00 0.00 0.00 72 V 8.92 4.28 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 0.97 0.00 0.00 0.95 0.00 0.00 73 R 9.06 4.92 0.00 1.85 2.02 0.00 3.38 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 74 C 9.12 4.33 0.00 3.27 3.09 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 0.00 0.00 0.00 75 D 7.90 4.05 0.00 2.31 1.66 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 76 Q 7.51 4.61 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 77 P 0.00 4.71 0.00 2.03 2.00 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 78 R 8.89 4.64 0.00 1.83 1.73 0.00 3.07 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 79 T 8.54 4.91 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 1.30 0.00 0.00 80 I 8.63 4.58 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.99 0.90 0.00 0.00 81 D 8.55 4.91 0.00 2.67 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 82 M 8.47 4.02 0.00 1.85 1.74 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.65 0.00 83 K 7.91 4.00 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.08 7.81 84 A 8.29 4.24 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 85 R 8.08 4.18 0.00 1.89 2.01 0.00 3.25 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 86 G 8.10 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 87 G 8.34 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 88 K 9.01 4.70 0.00 1.41 1.64 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 89 R 7.42 2.62 0.00 0.67 1.11 0.00 3.00 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.00 90 L 8.36 4.45 0.00 1.54 1.61 0.91 0.81 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 91 E 7.15 4.74 0.00 1.95 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 2.12 2.20 0.00 92 R 8.65 5.12 0.00 1.69 1.87 0.00 3.22 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 93 V 8.45 4.32 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 0.68 0.00 0.00 1.01 0.00 0.00 94 P 0.00 4.43 0.00 2.18 1.97 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 95 E 8.83 4.03 0.00 1.98 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 0.00 2.41 2.32 0.00 96 T 7.92 3.86 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 1.21 0.00 0.00 97 I 7.68 3.65 2.03 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 1.53 0.98 0.92 0.00 0.00 98 M 7.92 4.03 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 99 N 8.65 4.34 0.00 2.74 2.85 0.00 0.00 6.68 7.31 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 0.00 100 E 8.23 3.92 0.00 2.17 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 2.31 2.31 0.00 101 V 7.94 3.59 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 0.99 0.00 0.00 1.01 0.00 0.00 102 L 8.32 4.10 0.00 1.85 1.70 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.05 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.04 4.15 0.00 2.12 2.26 0.00 3.22 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 105 L 8.17 4.09 0.00 1.84 1.71 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.38 4.11 0.00 4.02 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 0.00 107 T 7.85 4.11 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 1.24 0.00 0.00 108 I 7.17 4.51 1.85 0.00 0.00 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 1.60 0.83 1.01 0.00 0.00 109 L 7.97 4.67 0.00 1.68 1.69 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.64 4.18 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.