NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2963 0.0000 0.0000 62.9239 33.7557 174.2240 2 H 4.9802 7.8237 117.1770 53.9087 32.5236 171.5588 3 F 5.5865 9.3453 124.0137 55.6642 43.8541 173.0208 4 L 4.2866 8.3394 123.7267 53.8098 43.7527 175.3274 5 I 4.6335 8.4287 128.0874 59.8589 38.8204 174.1097 6 L 5.1899 9.1204 130.7708 53.2452 44.3200 174.7132 7 N 5.4894 9.4710 124.2120 51.7826 41.9544 174.6228 8 G 4.6867 9.0972 114.4927 43.3394 0.0000 170.5130 9 P 5.0264 0.0000 0.0000 63.9562 31.5744 176.4865 10 N 4.5752 8.7305 118.1974 53.4133 37.5549 176.4929 11 V 3.6607 7.5581 118.1917 65.4281 31.7330 177.3655 12 N 4.4464 8.0711 115.6138 54.7282 37.6285 175.6122 13 R 4.2871 7.9800 117.7290 55.5650 30.6559 175.7727 14 L 4.0144 7.2328 120.6668 57.0702 42.6891 175.2618 15 G 4.3195 9.7379 116.4176 46.4952 0.0000 173.5839 16 S 4.1879 7.2197 114.5724 58.8661 63.6535 175.7105 17 R 4.0804 8.7721 122.5573 57.0531 28.6148 176.8896 18 E 4.5816 8.3230 114.0503 53.3039 30.7436 179.1960 19 P 4.1201 0.0000 0.0000 65.1761 32.0796 176.3770 20 E 4.8901 8.0875 121.0767 57.0441 27.5388 179.6318 21 V 4.0992 7.2299 120.5809 61.3193 30.0285 177.0704 *22 F 3.9208 10.0463 125.2924 55.0616 36.3831 174.3270 23 G 3.7764 9.7236 106.6675 47.7253 0.0000 175.6809 24 R 4.2069 9.8318 115.5971 55.4560 27.5452 179.5858 25 Q 4.6581 8.2941 116.7437 55.6000 32.2129 175.5728 26 T 4.6540 8.4677 115.7616 60.0338 72.1751 175.7110 27 L 3.8723 8.1587 121.9788 58.4650 42.0599 178.6833 28 T 3.7103 7.8290 115.1745 66.7788 68.4173 175.7239 29 D 4.3297 8.2422 120.8150 57.6166 40.8900 179.1221 30 I 3.6066 7.6403 119.8618 64.5040 37.1180 178.4062 31 E 3.3502 8.1659 119.6176 59.2457 29.0892 179.5211 32 T 3.7353 7.7780 115.7223 66.8204 68.5872 176.1976 33 D 4.4234 7.9161 120.5775 57.6194 40.8415 179.1359 34 L 4.2601 8.2964 121.8270 58.3600 41.6696 180.1480 *35 F 4.2793 8.7745 121.0536 62.1025 37.7095 179.9560 36 Q 4.2866 8.1040 117.6931 58.5161 28.5357 178.2690 37 F 4.3680 8.3943 121.6413 61.3322 39.4783 177.0464 38 A 3.9539 8.2387 120.3473 55.1678 18.1870 178.9153 39 E 3.8191 8.2982 117.6081 59.5843 29.4453 178.5770 40 A 4.1284 7.4432 117.8649 53.1941 18.6022 177.7172 41 L 4.2806 7.1377 115.3312 53.5893 42.8891 176.1090 42 H 4.0367 7.3710 114.7666 57.1749 26.4533 173.3351 43 I 4.7600 7.8640 110.5278 59.2648 41.4477 176.2104 44 Q 4.7403 9.0888 121.7577 54.2210 31.2910 174.9512 45 L 5.3073 8.3783 121.0412 53.2902 45.6678 175.8927 46 T 4.7344 8.4170 118.4124 61.8040 71.7812 172.9502 47 F 5.3013 8.9003 123.8044 55.8776 41.6894 175.0704 48 F 4.9703 9.0569 124.6549 57.0187 42.9199 172.6372 49 Q 5.3898 7.8571 126.4278 53.4541 31.7868 174.0609 50 S 4.5100 8.0821 118.2874 57.4613 66.1275 174.0597 51 N 4.7043 8.9482 120.3728 53.7413 39.2021 174.3067 52 H 4.9090 8.3579 117.8722 54.1819 30.1198 175.3140 53 E 4.0020 9.1929 125.6496 59.6760 29.2683 179.1850 54 G 3.6701 8.1073 104.8855 48.0009 0.0000 175.2643 55 D 4.4753 8.0964 121.0029 56.9819 40.8135 178.8705 56 L 4.1850 7.8504 119.3467 57.6101 41.6801 179.1720 57 I 3.5859 7.8170 119.7906 64.5106 37.0978 177.8015 58 D 4.3515 8.2012 119.4241 57.8036 40.5217 179.3738 59 A 3.9673 7.6791 119.1930 55.1005 18.7371 179.5083 60 I 3.8782 7.7427 118.4683 64.7818 36.9769 178.2769 61 H 4.2896 8.1011 116.1587 58.9948 28.5684 177.2544 62 E 4.1950 8.3560 118.6714 57.8400 29.3557 178.8919 63 A 4.1304 7.8985 121.7390 55.0972 17.9603 178.8303 64 E 3.8884 8.3582 117.3950 59.1663 29.2366 177.9576 65 E 4.5623 7.3705 114.7773 56.1175 29.7804 176.1383 66 Q 4.1488 7.5436 117.5436 55.6585 32.0911 173.7040 67 Y 4.8210 8.3219 114.2003 56.2225 40.8985 175.2216 68 S 4.7971 8.6108 114.3269 57.8387 63.9491 174.1089 69 G 4.2237 7.6520 106.1125 46.3094 0.0000 172.5476 70 I 5.1702 8.2117 121.4056 59.2206 41.6473 174.7089 71 V 4.6119 8.8422 127.0464 61.3022 33.2305 173.8742 72 L 5.1466 8.8043 131.0632 53.3283 44.7583 174.5987 73 N 5.0813 9.2869 124.9500 50.0294 40.3012 172.1066 74 P 4.6467 0.0000 0.0000 61.4154 32.9521 177.7915 75 G 3.8689 8.3023 108.1685 46.5044 0.0000 175.2090 76 A 4.3121 8.4877 121.6559 54.1150 18.8581 179.5228 77 L 3.3888 7.6256 116.3703 56.7458 42.2550 179.1856 78 S 3.9492 8.0550 114.1259 61.7489 62.1178 175.9142 79 H 4.7318 7.7812 113.9976 57.1189 28.6329 175.5728 80 Y 4.5120 7.3244 113.0404 55.3658 40.2487 175.8249 81 S 4.2474 7.7358 116.6890 57.3685 61.8791 173.4827 82 Y 4.2386 8.2426 127.3096 60.6113 37.9317 177.8457 83 A 4.0538 8.0538 121.5551 55.1666 18.4591 179.5836 84 I 3.7304 7.6369 118.3808 64.1388 37.1767 178.3691 85 R 3.8885 7.7265 119.3681 59.8818 30.1073 178.4230 86 D 4.4492 8.4685 118.2255 56.9904 40.4873 178.8774 87 A 4.0406 7.6386 120.4825 55.2019 18.7638 179.2559 88 V 3.7159 7.9333 116.8588 66.6114 31.3299 178.4849 89 S 4.3162 7.8022 113.0898 61.2082 62.7393 175.9650 90 S 4.4713 7.7830 114.2868 58.1203 63.3454 173.6746 91 I 4.7489 6.9893 113.9250 58.5916 39.8132 175.5598 92 S 4.5876 9.0017 114.6550 58.3699 63.6074 174.5440 93 L 4.5118 7.7261 121.2077 53.7633 42.8296 174.6648 94 P 4.5315 0.0000 0.0000 62.8270 32.7746 175.1506 95 V 4.9141 8.4991 123.3457 60.9023 34.8598 173.8714 96 V 4.6521 8.4758 127.2362 60.9847 33.9607 173.9793 97 E 4.7001 8.6592 129.3327 55.7783 30.6685 175.2698 98 V 4.8051 9.2024 126.4949 61.4390 35.5301 173.7699 99 H 4.8158 8.7794 123.0396 54.1306 32.5651 174.4877 100 L 4.0512 8.6689 122.9112 57.6701 42.5798 177.9005 101 S 4.6020 7.8287 111.3420 57.1201 64.5390 174.0917 102 N 4.5037 8.1763 119.8788 51.9191 37.2490 174.7998 103 L 3.7876 7.9038 124.6770 57.4928 42.0101 179.4455 104 Y 3.9273 6.9809 114.8228 60.0795 37.7596 176.6587 105 A 4.5863 7.7580 120.6788 51.8966 20.0276 177.1084 106 R 4.8464 7.5749 116.8989 54.7622 32.1970 175.5619 107 E 3.9690 8.3879 119.0031 57.2731 30.3197 177.3304 108 E 3.2733 8.8505 123.1019 59.2255 29.6547 179.1735 109 F 4.2712 7.9154 111.9108 59.1803 38.1087 176.0178 110 R 3.3012 6.8491 118.9884 57.1014 29.9505 176.6083 111 H 4.7426 7.9643 114.9952 56.0889 28.9994 175.0466 112 Q 4.6747 7.7260 117.6141 54.1753 31.4971 173.7221 113 S 4.8763 8.5329 114.2243 56.7607 64.1957 174.2745 114 V 3.9878 8.4230 120.1456 62.3518 31.8289 176.7274 115 I 4.1786 7.5346 120.9092 62.5229 38.9289 177.5028 116 A 4.0153 8.2811 123.5663 54.7709 18.3755 177.6348 117 P 4.2657 0.0000 0.0000 65.4266 31.3842 177.4744 118 V 4.0638 7.6684 107.9429 61.0454 31.9995 175.6010 119 A 4.5610 7.2951 123.3755 50.5811 20.6198 177.4132 120 K 4.0980 8.7940 117.9602 59.4983 32.7631 177.9412 121 G 3.9080 7.4158 103.7469 46.7541 0.0000 171.6606 122 Q 5.0834 8.5146 119.0954 54.8685 32.4350 174.4292 123 I 4.5558 8.7837 126.0665 59.4711 40.2218 174.6927 124 V 4.6821 8.4535 126.2101 62.3736 34.0164 175.6699 125 G 3.9489 8.9849 115.6605 45.4888 0.0000 173.3388 126 L 4.3974 7.6608 118.4101 54.1116 42.2783 178.5066 127 G 3.8361 8.0154 109.6612 45.7519 0.0000 174.5983 128 A 4.1991 8.4088 118.6137 54.6663 18.3048 179.4041 129 E 3.9554 8.3720 118.0289 59.2825 29.5444 178.7956 130 G 3.6074 8.1701 106.0377 48.1613 0.0000 175.2334 131 Y 4.1092 8.0406 118.7943 60.5935 37.7333 178.7616 132 K 3.6268 7.7681 119.0407 59.3391 32.3594 179.0318 133 L 3.9787 7.9825 119.1013 57.9567 41.4326 179.6467 134 A 4.0172 8.0761 120.5638 55.0287 18.2493 179.7798 135 V 3.4118 7.8891 116.8155 66.3128 31.6545 178.4701 136 R 4.0508 8.5187 118.0664 59.3300 29.6535 178.5035 137 Y 4.0272 7.7874 118.1080 60.7500 39.1627 177.5256 138 L 3.8355 8.1347 120.1038 57.7807 41.3762 179.6349 139 L 4.2344 8.0861 118.5191 57.7044 41.7387 179.2500 140 S 4.2507 7.8274 111.8731 60.0351 62.9344 174.8157 141 Q 4.1775 7.5035 126.9418 56.1650 28.7706 175.0585 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 P 0.00 4.30 0.00 1.47 2.11 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 2 H 7.82 4.98 0.00 3.13 3.10 0.00 5.54 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.35 5.59 0.00 2.97 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 4 L 8.34 4.29 0.00 0.93 1.23 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.43 4.63 1.49 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 0.49 0.40 1.01 0.00 0.00 6 L 9.12 5.19 0.00 1.67 1.54 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.47 5.49 0.00 2.61 2.69 0.00 0.00 6.37 7.36 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 8 G 9.10 4.69 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 9 P 0.00 5.03 0.00 2.20 2.24 0.00 3.54 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 10 N 8.73 4.58 0.00 3.10 3.07 0.00 0.00 6.32 7.56 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 11 V 7.56 3.66 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 1.10 0.00 0.00 1.01 0.00 0.00 12 N 8.07 4.45 0.00 2.84 2.89 0.00 0.00 6.01 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 13 R 7.98 4.29 0.00 1.97 1.98 0.00 3.31 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 14 L 7.23 4.01 0.00 1.66 1.61 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.74 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 16 S 7.22 4.19 0.00 4.11 3.84 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 17 R 8.77 4.08 0.00 1.98 2.13 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 18 E 8.32 4.58 0.00 1.93 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 2.18 2.13 0.00 19 P 0.00 4.12 0.00 2.02 2.10 0.00 3.65 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 2.04 2.12 0.00 20 E 8.09 4.89 0.00 1.99 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 0.00 2.10 1.61 0.00 21 V 7.23 4.10 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 0.86 0.00 0.00 0.93 0.00 0.00 *22 F 10.05 3.92 0.00 2.28 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 23 G 9.72 3.78 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 0.00 0.00 0.00 24 R 9.83 4.21 0.00 1.97 1.92 0.00 3.22 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 25 Q 8.29 4.66 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 26 T 8.47 4.65 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 1.19 0.00 0.00 27 L 8.16 3.87 0.00 1.73 1.64 0.85 0.71 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 28 T 7.83 3.71 4.18 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 1.14 0.00 0.00 29 D 8.24 4.33 0.00 2.97 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 30 I 7.64 3.61 1.91 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 1.49 0.70 0.60 0.00 0.00 31 E 8.17 3.35 0.00 1.59 1.12 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 1.47 2.11 0.00 32 T 7.78 3.74 4.34 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 1.22 0.00 0.00 33 D 7.92 4.42 0.00 2.93 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 34 L 8.30 4.26 0.00 2.11 2.03 1.06 0.99 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 *35 F 8.77 4.28 0.00 2.23 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 0.00 0.00 0.00 0.00 36 Q 8.10 4.29 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 37 F 8.39 4.37 0.00 3.23 3.34 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 38 A 8.24 3.95 1.58 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 0.00 0.00 39 E 8.30 3.82 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 2.31 2.22 0.00 40 A 7.44 4.13 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 41 L 7.14 4.28 0.00 1.43 1.55 0.59 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.37 4.04 0.00 3.19 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.86 4.76 1.87 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 1.21 0.75 0.95 0.00 0.00 44 Q 9.09 4.74 0.00 1.61 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 45 L 8.38 5.31 0.00 1.38 1.04 1.09 0.96 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 46 T 8.42 4.73 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 1.33 0.00 0.00 47 F 8.90 5.30 0.00 2.91 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 48 F 9.06 4.97 0.00 3.11 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 49 Q 7.86 5.39 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 50 S 8.08 4.51 0.00 3.62 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 51 N 8.95 4.70 0.00 2.77 2.78 0.00 0.00 6.85 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 52 H 8.36 4.91 0.00 3.38 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.19 4.00 0.00 2.00 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 2.37 2.34 0.00 54 G 8.11 3.67 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 0.00 55 D 8.10 4.48 0.00 2.99 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 56 L 7.85 4.19 0.00 1.71 1.75 0.92 1.00 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 57 I 7.82 3.59 1.98 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 1.50 0.69 0.76 0.00 0.00 58 D 8.20 4.35 0.00 2.83 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 59 A 7.68 3.97 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 60 I 7.74 3.88 1.98 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 1.54 1.21 0.92 0.00 0.00 61 H 8.10 4.29 0.00 3.26 3.36 0.00 5.67 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 62 E 8.36 4.19 0.00 2.12 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 2.31 2.33 0.00 63 A 7.90 4.13 1.59 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 0.00 0.00 64 E 8.36 3.89 0.00 2.12 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 2.40 2.50 0.00 65 E 7.37 4.56 0.00 1.95 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 2.21 0.00 66 Q 7.54 4.15 0.00 1.61 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.75 0.00 67 Y 8.32 4.82 0.00 2.95 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 68 S 8.61 4.80 0.00 4.01 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 69 G 7.65 4.22 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 0.00 70 I 8.21 5.17 1.87 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 1.12 0.83 0.89 0.00 0.00 71 V 8.84 4.61 2.15 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 0.90 0.00 0.00 0.88 0.00 0.00 72 L 8.80 5.15 0.00 1.75 1.43 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.29 5.08 0.00 2.68 2.92 0.00 0.00 6.79 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.65 0.00 2.17 2.19 0.00 3.70 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 2.00 1.99 0.00 75 G 8.30 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 76 A 8.49 4.31 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 77 L 7.63 3.39 0.00 1.65 1.41 0.83 0.31 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 78 S 8.05 3.95 0.00 3.90 3.55 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 79 H 7.78 4.73 0.00 3.55 3.65 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.32 4.51 0.00 2.92 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 81 S 7.74 4.25 0.00 3.47 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 0.00 82 Y 8.24 4.24 0.00 3.13 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 83 A 8.05 4.05 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 84 I 7.64 3.73 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 0.88 0.00 0.00 85 R 7.73 3.89 0.00 1.99 2.18 0.00 3.45 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 86 D 8.47 4.45 0.00 2.85 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 87 A 7.64 4.04 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 88 V 7.93 3.72 2.27 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 1.08 0.00 0.00 0.98 0.00 0.00 89 S 7.80 4.32 0.00 4.07 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 90 S 7.78 4.47 0.00 4.06 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 0.00 91 I 6.99 4.75 2.06 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 1.12 1.37 1.01 0.00 0.00 92 S 9.00 4.59 0.00 4.01 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 93 L 7.73 4.51 0.00 1.62 1.71 1.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.53 0.00 2.19 2.25 0.00 3.84 0.00 0.00 3.75 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 95 V 8.50 4.91 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 0.99 0.00 0.00 0.95 0.00 0.00 96 V 8.48 4.65 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 0.87 0.00 0.00 0.87 0.00 0.00 97 E 8.66 4.70 0.00 2.08 1.74 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 2.19 2.27 0.00 98 V 9.20 4.81 1.65 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 0.43 0.00 0.00 0.72 0.00 0.00 99 H 8.78 4.82 0.00 2.95 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.67 4.05 0.00 1.64 1.70 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.83 4.60 0.00 3.91 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 0.00 102 N 8.18 4.50 0.00 2.72 2.72 0.00 0.00 6.85 6.66 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 0.00 103 L 7.90 3.79 0.00 1.02 1.45 0.50 0.68 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 0.00 104 Y 6.98 3.93 0.00 2.98 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 0.00 105 A 7.76 4.59 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 0.00 106 R 7.57 4.85 0.00 1.70 1.70 0.00 3.11 0.00 0.00 3.10 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 107 E 8.39 3.97 0.00 1.51 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 0.00 2.53 2.37 0.00 108 E 8.85 3.27 0.00 1.91 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 2.33 2.24 0.00 109 F 7.92 4.27 0.00 3.10 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 0.00 110 R 6.85 3.30 0.00 1.52 1.59 0.00 2.80 0.00 0.00 2.96 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 111 H 7.96 4.74 0.00 3.24 3.44 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.73 4.67 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 113 S 8.53 4.88 0.00 3.84 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 0.00 114 V 8.42 3.99 1.84 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 0.44 0.00 0.00 0.57 0.00 0.00 115 I 7.53 4.18 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.89 0.00 0.00 116 A 8.28 4.02 1.36 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 0.00 117 P 0.00 4.27 0.00 2.09 2.18 0.00 3.83 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 2.09 2.16 0.00 118 V 7.67 4.06 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 0.70 0.00 0.00 1.03 0.00 0.00 119 A 7.30 4.56 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 0.00 120 K 8.79 4.10 0.00 1.83 1.85 0.00 2.00 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.71 7.81 121 G 7.42 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 0.00 122 Q 8.51 5.08 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.55 0.00 123 I 8.78 4.56 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.66 0.85 0.00 0.00 124 V 8.45 4.68 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 0.50 0.00 0.00 0.88 0.00 0.00 125 G 8.98 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 0.00 126 L 7.66 4.40 0.00 1.60 1.66 0.90 0.90 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 0.00 127 G 8.02 3.84 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 0.00 0.00 0.00 128 A 8.41 4.20 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 0.00 129 E 8.37 3.96 0.00 2.07 2.17 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 2.36 2.41 0.00 130 G 8.17 3.61 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 0.00 131 Y 8.04 4.11 0.00 3.21 2.93 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 0.00 132 K 7.77 3.63 0.00 1.67 1.02 0.00 1.55 0.00 0.00 1.07 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.14 7.81 133 L 7.98 3.98 0.00 1.80 1.73 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.08 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.89 3.41 2.47 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 1.45 0.00 0.00 1.09 0.00 0.00 136 R 8.52 4.05 0.00 2.18 2.08 0.00 3.34 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.18 0.00 137 Y 7.79 4.03 0.00 2.96 3.14 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 0.00 138 L 8.13 3.84 0.00 1.61 0.99 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.09 4.23 0.00 1.67 1.79 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.83 4.25 0.00 4.00 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 0.00 141 Q 7.50 4.18 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.58 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.