NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3967 0.0000 0.0000 62.7524 33.9744 178.6945 7 D 4.2673 7.8716 122.9405 58.0712 40.2414 178.9363 8 T 4.1994 8.6442 115.6983 66.4037 69.1989 176.3959 9 D 4.4275 7.9803 120.4807 57.4196 40.9507 178.7757 10 V 3.4120 7.7160 120.7661 66.4697 31.4393 178.6505 11 E 3.9148 7.5766 117.7142 61.0943 29.6602 181.3062 12 Q 4.1504 8.3827 119.7800 58.8032 28.7116 179.1038 13 V 2.8442 7.6089 119.6709 65.4925 31.2661 178.3600 14 G 3.4232 7.6335 105.5707 47.5486 0.0000 175.8071 15 L 3.9501 7.6770 121.1165 57.4876 41.5170 179.4077 16 A 3.9850 7.7604 120.8005 55.0470 18.0532 179.2395 17 N 4.5940 8.1586 115.9700 57.1547 39.0474 177.3085 18 T 3.9571 8.3184 117.3292 66.7024 68.5867 176.5589 19 A 4.0588 8.4775 122.9807 54.8444 18.0551 179.6027 20 F 4.0654 7.6621 118.6789 61.7722 39.5770 176.9365 21 Y 3.2354 7.2002 114.8297 60.5403 37.8242 177.8433 22 E 4.4184 8.4761 120.9351 58.5655 29.4176 179.5406 23 A 3.8435 7.6270 117.0989 52.9924 17.7732 178.8861 *25 E 4.3079 8.1175 121.7379 57.5595 31.2895 177.7555 26 R 4.4804 8.0300 111.4811 54.9519 29.8987 176.0829 27 G 3.8537 7.8407 105.4540 47.1625 0.0000 175.2677 28 D 4.6984 8.6405 120.7610 52.7094 41.4127 174.8862 29 F 4.2343 8.5945 129.6803 60.7594 39.4458 176.4301 30 E 3.9480 8.2973 117.9127 59.6008 29.8803 178.5402 31 T 4.0167 8.1567 115.7836 66.4721 68.5715 176.5393 32 L 3.9370 7.8918 122.2613 58.3580 41.7003 179.2574 33 S 3.9818 8.1428 115.6738 61.3631 62.4868 176.5473 34 S 4.3338 7.6185 115.0600 60.4306 63.3237 175.7511 35 L 4.2050 7.7646 122.3063 55.1188 41.7467 176.1587 36 W 4.6351 7.1083 117.6335 55.1391 30.0474 176.4970 37 L 4.3968 8.9883 127.1189 55.7532 42.4333 176.1943 38 T 4.8052 8.7159 114.0979 58.9450 71.8945 173.3754 39 P 4.2771 0.0000 0.0000 65.0106 31.4079 178.8015 40 A 4.1833 7.5923 119.6407 54.9666 18.0467 179.0477 41 D 4.4127 7.9805 116.1564 56.2599 40.9061 177.5974 42 L 4.5424 7.7031 117.3140 53.8200 43.3235 177.0658 43 G 4.0318 7.5537 106.3857 45.3321 0.0000 174.5527 44 V 3.8795 7.6768 121.1502 61.0241 33.1905 172.5948 *51 P 4.2374 0.0000 0.0000 61.4079 32.7923 175.9747 52 A 4.5581 8.1442 116.7292 50.2260 20.3880 177.0447 53 D 4.5005 8.2745 115.9744 55.1852 38.6549 173.7634 54 A 3.8952 7.1675 120.6960 54.1016 18.5513 178.7330 55 G 3.4932 8.6880 110.3347 45.7277 0.0000 173.0865 56 V 3.8712 7.7709 120.0347 62.4841 32.1529 176.2147 57 V 5.3541 8.6036 120.2475 60.3711 33.8414 174.9842 58 S 5.1554 8.5599 115.6114 57.4690 66.9719 172.3133 59 C 5.2303 9.1058 121.0072 58.2173 35.4722 172.6528 60 V 4.4668 8.9691 126.3405 61.4710 33.6129 174.6261 61 H 4.8361 8.2680 124.9344 53.7819 30.8578 173.2051 62 P 4.5633 0.0000 0.0000 64.1610 31.3059 177.5430 63 G 4.0864 9.1000 111.4827 45.3790 0.0000 173.4090 64 W 4.5642 8.3537 119.8102 55.0826 30.0336 174.7818 65 P 4.6134 0.0000 0.0000 62.2724 32.2068 175.2838 66 V 3.9985 8.1660 118.0687 62.7470 32.3051 175.4890 67 L 4.9476 8.9005 127.8954 53.2638 43.9083 175.5507 68 S 4.9594 9.5161 119.8382 57.8145 65.9220 174.8119 69 G 4.0981 9.4173 110.6811 46.1010 0.0000 174.4449 70 R 3.8240 8.7100 120.2740 59.1084 29.9743 179.6737 71 G 3.5696 7.9366 104.6281 47.9603 0.0000 175.4351 72 E 4.0025 8.0778 121.3411 58.8912 29.4055 179.5954 73 V 3.4301 7.7900 118.2366 65.9755 31.5662 178.1328 74 L 4.1415 8.2823 119.1248 57.5447 41.5138 179.3927 75 R 4.0632 8.2695 118.5425 59.4930 29.9610 179.2168 76 S 4.2827 7.9983 113.9338 61.6500 62.7804 176.1916 77 Y 3.9671 7.6759 119.6061 60.4649 37.6816 177.6711 78 A 4.2070 8.2729 121.1288 55.0953 18.9581 179.0370 79 L 4.1450 7.9047 118.7337 58.3860 42.1395 179.8404 80 I 3.6586 7.8069 115.6144 62.4366 36.5672 177.5590 *82 A 4.3689 7.9178 124.6797 51.7843 20.1599 178.0426 83 N 4.8177 7.9835 110.1600 53.1573 38.9899 174.6995 84 T 4.5206 7.3283 114.3027 61.5384 70.2742 173.4683 85 E 4.2251 8.9914 128.6198 58.9296 30.5611 176.5049 86 Y 4.9140 8.2713 119.7910 55.9960 42.6090 173.8008 87 I 4.7950 7.5863 125.1846 59.5804 41.4468 173.7472 88 Q 4.3286 8.9285 127.3337 53.9819 32.6735 174.0189 89 F 4.9853 9.1247 122.1091 55.8026 41.5050 175.7290 90 F 4.7434 9.2420 121.8664 55.5796 41.1731 174.0605 91 L 4.8671 8.4382 123.9883 54.4765 42.5036 176.5534 92 T 4.6133 8.5714 112.4407 59.6394 72.8493 172.6510 93 D 4.3981 8.6460 118.1663 55.2287 39.5944 174.0857 94 V 3.9983 7.7822 117.4526 63.1370 32.5882 174.6776 95 H 4.9260 9.4957 127.8787 54.2756 33.0075 171.9353 96 V 4.7391 8.1235 124.8003 61.0263 33.9476 174.4250 97 S 4.5336 9.1894 122.3335 56.5751 65.1155 172.3844 98 V 4.7165 8.4058 127.3133 61.4956 33.4862 175.2529 99 T 4.5048 8.9020 124.3846 62.3865 71.9326 175.7898 100 G 3.9940 8.7382 119.5454 47.1295 0.0000 172.6823 101 D 4.9963 9.1402 124.2790 53.9153 42.4788 174.3435 102 T 5.5623 8.2518 115.5211 61.7807 72.0751 172.9385 103 A 5.1933 9.5323 126.5970 49.9983 22.6845 174.5362 104 L 5.1145 9.1936 123.9027 53.1888 45.0284 175.2114 105 V 5.5859 9.3605 126.5205 60.4394 34.3046 174.0823 106 T 5.3415 8.4795 118.0806 60.5238 71.6584 173.0006 107 C 4.9281 9.0347 117.6209 57.9919 33.9667 172.4220 108 T 4.8464 8.7619 116.6979 62.3248 70.0187 174.2742 109 E 4.5785 9.1187 127.8617 55.2742 30.6518 175.6844 110 N 4.9785 8.9295 124.3161 52.5240 39.5483 174.2551 111 I 4.6417 8.6928 125.9302 59.2405 39.8514 174.7187 112 L 5.3262 8.8907 129.5406 53.3367 44.7289 175.3174 113 S 5.3117 9.2564 120.3291 57.1626 67.5325 172.7958 114 G 4.4008 9.0406 105.3604 45.4293 0.0000 173.6136 115 G 4.5650 8.4310 110.2810 43.9927 0.0000 171.0246 116 P 4.9360 0.0000 0.0000 61.6486 31.4760 175.2770 117 P 4.6299 0.0000 0.0000 61.4380 32.3936 175.6491 118 P 4.3692 0.0000 0.0000 65.8382 31.8247 175.3340 119 D 4.4711 7.3209 115.5305 53.5583 41.9674 175.9916 120 D 4.5434 8.6998 117.1068 55.7324 39.8965 173.1030 121 S 4.4432 8.8676 111.2447 60.1894 63.5954 173.9389 122 D 5.0121 7.6188 119.9925 52.2229 43.8780 175.7642 123 E 4.0207 8.8555 123.0812 58.8637 29.8457 176.2677 124 L 4.8609 7.3706 114.7340 52.5440 46.3158 175.9111 125 G 3.9651 8.9235 108.4432 45.0654 0.0000 171.7991 126 P 4.5756 0.0000 0.0000 62.7516 31.9123 176.5982 127 L 4.7903 8.3634 122.0582 54.1489 43.2175 176.5156 128 V 4.4921 9.1373 115.5061 59.5750 35.1736 174.9777 129 G 4.4908 8.7563 111.2671 44.7888 0.0000 172.7238 130 Q 4.7681 9.1803 120.5042 53.6948 33.5089 174.0531 131 L 4.8496 8.5168 124.6567 53.6063 43.8937 175.1298 132 V 5.0508 8.5668 125.2537 61.3277 35.6586 174.3563 133 V 5.1087 8.8186 118.1684 59.5861 35.4839 174.5182 134 A 5.3283 9.2711 124.3432 50.6073 23.1071 175.1546 135 T 4.8896 8.8783 117.8282 62.0404 71.0262 173.0863 136 N 5.2584 9.5296 124.9507 51.2520 41.5507 173.9665 137 V 4.7696 8.3442 123.9678 61.3357 33.6792 174.5486 138 F 5.4429 9.4654 127.0568 55.9426 42.3520 174.7476 139 R 5.1892 9.3004 120.8765 54.4262 33.2473 174.3242 140 R 3.1624 8.7699 128.2310 56.1698 30.5128 175.7378 141 T 4.5739 7.8781 115.1985 59.0002 72.0100 173.0803 142 P 4.2591 0.0000 0.0000 64.6953 31.3702 177.0694 143 D 4.6691 7.6876 117.0356 53.8102 41.2513 174.9740 144 G 3.6425 7.6055 106.2232 43.7831 0.0000 172.8479 145 W 4.6418 8.5182 118.7564 56.2720 29.7653 176.0780 146 K 4.9466 8.9456 122.2602 54.2304 35.6029 175.6530 147 L 3.6759 8.7428 124.5277 54.6650 42.1145 177.2748 148 W 4.7839 9.3938 133.5397 58.6410 33.0893 175.6735 149 S 5.5428 7.5719 112.5423 56.1252 65.9101 172.0432 150 H 5.2618 9.1198 125.3865 54.6148 32.8878 171.3404 151 H 5.2643 9.1041 124.9825 54.4062 32.4680 171.7823 152 A 5.4583 9.1444 127.9892 50.3774 21.9132 175.2003 153 S 4.8521 8.8877 114.1432 56.0346 66.8381 171.9491 154 P 4.7934 0.0000 0.0000 63.1171 32.0821 175.8907 155 V 4.0825 8.4349 123.2302 62.0142 31.8858 175.0457 156 L 4.6151 8.3673 128.1049 52.7079 43.4263 176.6549 157 A 4.1711 8.5446 124.6905 52.5363 18.3178 177.1499 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 6 P 0.00 4.40 0.00 2.20 2.01 0.00 3.58 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 2.02 2.10 0.00 7 D 7.87 4.27 0.00 2.76 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 8 T 8.64 4.20 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 1.25 0.00 0.00 9 D 7.98 4.43 0.00 2.85 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 10 V 7.72 3.41 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 0.87 0.00 0.00 0.86 0.00 0.00 11 E 7.58 3.91 0.00 2.12 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 2.24 2.22 0.00 12 Q 8.38 4.15 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 13 V 7.61 2.84 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.89 0.00 0.00 14 G 7.63 3.42 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 0.00 15 L 7.68 3.95 0.00 1.87 1.69 0.95 0.97 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 16 A 7.76 3.99 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 17 N 8.16 4.59 0.00 2.81 2.97 0.00 0.00 7.23 7.33 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 18 T 8.32 3.96 4.38 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 1.22 0.00 0.00 19 A 8.48 4.06 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 20 F 7.66 4.07 0.00 2.64 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 21 Y 7.20 3.24 0.00 2.78 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 22 E 8.48 4.42 0.00 2.01 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 2.32 2.34 0.00 23 A 7.63 3.84 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 *25 E 8.12 4.31 0.00 2.27 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 2.47 2.70 0.00 26 R 8.03 4.48 0.00 1.94 2.01 0.00 3.23 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 27 G 7.84 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 28 D 8.64 4.70 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.59 4.23 0.00 3.19 3.07 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 0.00 0.00 0.00 30 E 8.30 3.95 0.00 2.09 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 2.31 2.44 0.00 31 T 8.16 4.02 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 1.20 0.00 0.00 32 L 7.89 3.94 0.00 1.78 1.61 0.67 0.24 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 33 S 8.14 3.98 0.00 3.86 3.72 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 34 S 7.62 4.33 0.00 4.02 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 35 L 7.76 4.20 0.00 1.85 1.57 0.95 0.88 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 36 W 7.11 4.64 0.00 3.22 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 37 L 8.99 4.40 0.00 1.89 1.67 0.80 0.47 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 38 T 8.72 4.81 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 1.22 0.00 0.00 39 P 0.00 4.28 0.00 2.15 2.10 0.00 3.59 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 2.10 2.13 0.00 40 A 7.59 4.18 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 41 D 7.98 4.41 0.00 2.82 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 42 L 7.70 4.54 0.00 1.61 1.58 0.73 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 43 G 7.55 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 44 V 7.68 3.88 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 0.80 0.00 0.00 0.89 0.00 0.00 *51 P 0.00 4.24 0.00 2.25 2.01 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 52 A 8.14 4.56 1.32 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 53 D 8.27 4.50 0.00 2.86 2.76 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 54 A 7.17 3.90 1.20 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 0.00 0.00 0.00 55 G 8.69 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.87 2.28 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 0.86 0.00 0.00 1.06 0.00 0.00 57 V 8.60 5.35 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 1.16 0.00 0.00 0.83 0.00 0.00 58 S 8.56 5.16 0.00 3.82 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 59 C 9.11 5.23 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.97 4.47 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 0.84 0.00 0.00 0.73 0.00 0.00 61 H 8.27 4.84 0.00 1.58 2.53 0.00 5.68 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 62 P 0.00 4.56 0.00 2.14 2.09 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 63 G 9.10 4.09 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 0.00 0.00 0.00 64 W 8.35 4.56 0.00 3.29 3.18 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 65 P 0.00 4.61 0.00 2.22 2.13 0.00 3.95 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 66 V 8.17 4.00 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 0.79 0.00 0.00 0.93 0.00 0.00 67 L 8.90 4.95 0.00 1.67 1.53 0.94 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 68 S 9.52 4.96 0.00 3.67 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 69 G 9.42 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 0.00 0.00 0.00 0.00 70 R 8.71 3.82 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 71 G 7.94 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 72 E 8.08 4.00 0.00 2.29 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 2.42 2.38 0.00 73 V 7.79 3.43 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 -0.01 0.00 0.00 0.63 0.00 0.00 74 L 8.28 4.14 0.00 1.82 1.85 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.27 4.06 0.00 2.05 2.05 0.00 3.33 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 76 S 8.00 4.28 0.00 3.92 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 0.00 77 Y 7.68 3.97 0.00 3.19 3.21 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 78 A 8.27 4.21 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 79 L 7.90 4.15 0.00 1.97 1.95 0.95 1.16 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 80 I 7.81 3.66 1.82 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 1.33 0.81 0.90 0.00 0.00 *82 A 7.92 4.37 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 83 N 7.98 4.82 0.00 2.84 2.86 0.00 0.00 6.80 7.09 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 84 T 7.33 4.52 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 1.26 0.00 0.00 85 E 8.99 4.23 0.00 2.01 2.32 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 2.33 2.45 0.00 86 Y 8.27 4.91 0.00 3.09 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 87 I 7.59 4.79 1.73 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.62 0.85 0.00 0.00 88 Q 8.93 4.33 0.00 1.66 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 1.57 2.47 0.00 89 F 9.12 4.99 0.00 2.80 2.74 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 90 F 9.24 4.74 0.00 2.95 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 91 L 8.44 4.87 0.00 1.45 1.48 0.59 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.57 4.61 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 1.24 0.00 0.00 93 D 8.65 4.40 0.00 2.78 2.74 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 94 V 7.78 4.00 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 0.77 0.00 0.00 0.91 0.00 0.00 95 H 9.50 4.93 0.00 3.17 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.12 4.74 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 0.60 0.00 0.00 0.78 0.00 0.00 97 S 9.19 4.53 0.00 3.89 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 98 V 8.41 4.72 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 0.94 0.00 0.00 0.68 0.00 0.00 99 T 8.90 4.50 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 0.00 100 G 8.74 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 0.00 0.00 0.00 101 D 9.14 5.00 0.00 2.58 2.55 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 0.00 102 T 8.25 5.56 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 1.57 0.00 0.00 103 A 9.53 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.19 5.11 0.00 1.73 1.53 0.92 0.75 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 0.00 105 V 9.36 5.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 106 T 8.48 5.34 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 1.23 0.00 0.00 107 C 9.03 4.93 0.00 3.08 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 0.00 108 T 8.76 4.85 4.38 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 1.24 0.00 0.00 109 E 9.12 4.58 0.00 2.07 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 2.22 2.38 0.00 110 N 8.93 4.98 0.00 3.04 2.86 0.00 0.00 6.62 7.13 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 0.00 111 I 8.69 4.64 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.89 0.45 0.00 0.00 112 L 8.89 5.33 0.00 1.93 1.66 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.26 5.31 0.00 3.96 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 0.00 114 G 9.04 4.40 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 0.00 0.00 0.00 115 G 8.43 4.56 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 0.00 116 P 0.00 4.94 0.00 1.96 2.01 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 117 P 0.00 4.63 0.00 2.41 2.27 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 118 P 0.00 4.37 0.00 2.20 2.23 0.00 3.79 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 1.98 1.95 0.00 119 D 7.32 4.47 0.00 2.89 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 0.00 120 D 8.70 4.54 0.00 2.72 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 0.00 121 S 8.87 4.44 0.00 3.92 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 0.00 122 D 7.62 5.01 0.00 2.67 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 0.00 123 E 8.86 4.02 0.00 1.89 1.91 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 2.22 2.30 0.00 124 L 7.37 4.86 0.00 1.41 1.47 0.52 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.92 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 0.00 0.00 0.00 126 P 0.00 4.58 0.00 1.95 2.00 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 127 L 8.36 4.79 0.00 1.54 1.63 0.90 0.91 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 0.00 128 V 9.14 4.49 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 0.77 0.00 0.00 0.96 0.00 0.00 129 G 8.76 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.18 4.77 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 131 L 8.52 4.85 0.00 1.78 1.56 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.57 5.05 2.31 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 1.25 0.00 0.00 1.01 0.00 0.00 133 V 8.82 5.11 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 0.78 0.00 0.00 0.95 0.00 0.00 134 A 9.27 5.33 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 0.00 135 T 8.88 4.89 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 1.19 0.00 0.00 136 N 9.53 5.26 0.00 2.63 2.17 0.00 0.00 6.04 7.88 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 0.00 137 V 8.34 4.77 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 1.10 0.00 0.00 0.80 0.00 0.00 138 F 9.47 5.44 0.00 3.09 3.24 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 0.00 139 R 9.30 5.19 0.00 1.88 1.67 0.00 3.30 0.00 0.00 2.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.39 0.00 140 R 8.77 3.16 0.00 0.78 1.36 0.00 3.21 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.00 141 T 7.88 4.57 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 1.17 0.00 0.00 142 P 0.00 4.26 0.00 1.99 2.08 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 143 D 7.69 4.67 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.61 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 0.00 145 W 8.52 4.64 0.00 3.13 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 0.00 146 K 8.95 4.95 0.00 1.62 1.71 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.48 7.81 147 L 8.74 3.68 0.00 0.51 0.13 -1.79 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 148 W 9.39 4.78 0.00 3.28 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 0.00 149 S 7.57 5.54 0.00 3.64 3.40 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 0.00 150 H 9.12 5.26 0.00 2.87 3.39 0.00 5.66 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 0.00 151 H 9.10 5.26 0.00 3.19 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 9.14 5.46 1.29 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 0.00 0.00 153 S 8.89 4.85 0.00 3.92 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 0.00 154 P 0.00 4.79 0.00 2.14 2.15 0.00 3.82 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 2.03 2.02 0.00 155 V 8.43 4.08 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 0.78 0.00 0.00 0.96 0.00 0.00 156 L 8.37 4.62 0.00 1.68 1.58 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.54 4.17 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.