NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2889 8.1593 117.3738 63.5631 69.9293 173.3300 2 S 4.4851 8.1849 120.4946 55.7573 65.3798 173.3997 3 K 3.8802 9.4611 122.9048 59.8611 32.7870 179.9156 4 K 3.8669 8.1095 118.0568 59.6307 31.7606 178.9022 5 K 3.9647 7.5428 118.5295 59.1229 32.0891 177.9579 6 R 4.3548 7.5584 115.7025 56.5563 30.6102 177.7993 7 Q 4.2315 8.0940 119.7191 56.9404 28.5098 175.5696 8 R 4.0052 7.6256 118.5919 59.5785 29.9067 176.3746 9 G 4.1011 8.9925 111.4263 45.4447 0.0000 173.8341 10 S 4.2210 7.9957 113.2496 58.4390 63.8055 175.1461 11 R 4.2490 8.2008 126.4981 57.5317 29.4269 176.7787 12 T 4.2880 7.6522 104.9794 61.3282 69.7228 174.0780 13 H 4.2120 8.3711 117.7251 56.0372 26.7583 175.6648 14 G 3.9045 8.5190 104.1287 46.0332 0.0000 175.0054 15 G 3.8387 7.9502 107.1887 45.2149 0.0000 176.2428 16 G 3.9402 7.8197 107.2564 45.3462 0.0000 174.5751 17 S 4.1952 8.5375 118.3504 58.3419 62.7388 174.5212 18 H 4.3881 8.8854 121.4532 57.0880 28.1973 175.7618 19 K 4.1094 7.5074 118.5679 56.8339 31.9675 177.4704 20 N 4.3836 7.8755 117.7020 55.8622 39.1734 177.2314 21 R 4.3654 7.4580 119.6338 56.4678 28.7632 177.4085 22 R 4.5480 7.2767 122.3783 56.2516 30.7800 179.9713 23 G 4.0181 8.4732 121.0597 45.7501 0.0000 173.2867 24 A 4.3382 8.6035 120.5960 53.6477 18.3721 179.9030 25 G 3.6210 7.9876 104.8976 47.8930 0.0000 175.1422 26 H 4.4678 8.0271 118.8999 57.8501 29.9982 176.3491 27 R 4.4931 7.7879 117.1660 55.2133 30.8664 176.1168 28 G 3.7838 7.7907 106.4919 46.8584 0.0000 173.9287 29 G 4.0431 8.2196 105.8835 43.8188 0.0000 174.5273 30 R 4.0513 8.6295 119.9667 57.0899 31.7230 176.3464 31 G 3.8163 8.2938 113.5705 47.4022 0.0000 173.5553 32 D 4.6427 8.6959 123.5815 54.0584 40.4075 175.3629 33 A 4.1075 7.4863 122.7019 54.2143 18.6028 179.1270 34 G 3.7954 8.9858 110.6851 44.9220 0.0000 175.0858 35 R 3.4776 7.6253 117.3429 58.0379 29.3256 177.2928 36 D 4.9851 7.9093 115.2753 52.6246 42.7824 176.4940 37 K 4.2340 9.1532 118.1406 56.9126 32.0247 177.1803 38 H 4.5493 9.6796 124.9046 58.2958 29.6893 176.1471 39 E 4.7094 7.5474 119.7074 55.6078 30.3431 177.0681 40 F 4.9767 8.1409 115.2826 59.2622 38.5995 175.1673 41 H 3.5517 6.4634 116.8543 57.3783 28.6095 174.1715 42 N 4.2843 8.9472 120.3516 54.6968 35.8583 173.4931 43 H 4.8872 7.8041 114.3976 53.5030 31.5548 174.0977 44 E 4.0981 8.8008 123.7469 55.5466 29.9117 175.1470 45 P 4.4326 0.0000 0.0000 62.8681 31.7596 175.8799 46 L 4.2098 8.1278 118.6841 54.6317 42.3808 175.8945 47 G 4.2365 8.0214 105.9214 43.4754 0.0000 173.1419 48 K 4.6032 7.9852 119.3184 54.9645 34.2147 176.4781 49 S 4.4069 8.4780 114.3097 58.2353 65.4261 175.8422 50 G 4.0621 9.0000 117.6473 45.3216 0.0000 171.3227 51 F 4.9956 8.4153 113.0399 55.6125 41.0225 173.1501 52 K 4.2611 8.2165 118.5128 54.4843 35.5381 176.3198 53 R 4.5330 7.9737 120.3883 53.7945 31.7066 174.8134 54 P 4.2663 0.0000 0.0000 63.3101 31.4972 176.9414 55 Q 3.9183 9.0117 120.7444 59.2028 28.7212 178.6775 56 K 4.3798 7.9686 113.4288 57.0334 32.6942 176.9852 57 V 4.2927 7.9908 117.5499 62.8905 31.8525 174.8491 58 Q 4.5979 7.5655 117.0698 54.4180 30.1962 174.7264 59 E 4.4872 8.5788 121.0947 54.4113 31.8204 174.8927 60 E 4.4328 8.4152 124.3350 54.2404 31.4939 174.3062 61 A 3.9180 8.2082 129.4686 51.1852 19.7097 176.2292 62 A 4.3887 9.1222 125.9235 51.2652 19.7757 176.7393 63 T 5.4838 8.0510 112.0842 60.3537 71.7684 173.8514 64 I 4.2604 7.7507 118.6667 60.3826 41.4600 172.4750 65 D 5.7266 8.3796 128.2265 52.6401 42.4288 177.7304 66 V 3.6131 8.7129 115.8240 65.0209 31.4652 178.6609 67 R 3.8938 7.8432 117.8692 59.5000 29.5315 178.1928 68 E 3.8637 8.2954 118.3992 59.6467 30.0668 178.1091 69 I 3.6561 7.8655 118.9037 64.9550 37.0019 177.1841 70 D 4.3431 8.6746 118.3714 57.8230 40.9714 178.6286 71 E 4.2176 8.2560 116.6159 58.0225 28.9708 177.0248 72 N 5.0369 8.0095 116.9592 52.8916 40.1866 177.3219 73 V 3.1900 7.5369 113.1947 64.7133 31.8257 178.8098 74 T 3.8505 7.6498 108.2452 64.8262 68.3587 175.4720 75 L 4.0946 7.1534 121.0729 56.6847 41.8942 177.1959 76 L 4.4406 7.7463 120.0710 53.7351 41.6326 178.3183 77 A 3.9899 8.1687 122.7611 55.4310 18.7053 178.3446 78 A 4.4372 7.7304 117.7676 51.8772 18.7812 177.5703 79 D 4.4952 8.2815 119.8845 56.1888 45.6308 176.4395 80 D 4.2259 7.5588 122.2833 49.1609 41.6582 175.4305 81 V 4.5226 8.2914 120.7880 61.1870 34.2204 174.7242 82 A 4.2600 8.1276 133.1329 51.6587 20.4064 176.7393 83 E 3.8009 8.9706 109.5722 59.4400 30.1432 174.0262 *89 F 4.5953 7.7606 114.2547 57.9152 41.0727 174.1550 90 R 5.1648 8.6648 120.1863 54.7435 32.4764 174.8385 91 V 4.4785 8.6323 125.9972 59.8839 34.9594 174.5839 92 D 4.8172 8.7875 124.5060 53.0482 40.9318 176.2731 93 V 3.5834 8.4817 128.5047 66.3518 31.5965 178.4170 94 R 4.1542 7.8202 117.0927 59.0618 29.8749 177.7916 95 D 4.6225 8.1209 116.3571 54.8975 41.2360 178.0333 96 V 3.9697 7.8639 118.9484 63.8681 32.4806 176.2409 97 V 3.6244 7.2658 116.9533 63.0196 31.8348 175.3932 98 E 4.2101 8.5629 126.0037 57.1767 30.4138 177.0004 99 E 4.0904 9.0942 117.8621 57.4625 26.8219 175.4988 100 A 4.4771 7.4899 119.7363 52.8392 18.5619 178.0196 101 D 4.7396 7.9786 118.0038 57.0630 42.2584 178.1964 102 D 4.5390 8.0020 115.7530 53.3603 39.1765 174.7885 103 A 4.7709 7.5662 123.0689 50.6396 20.6445 178.4131 104 D 4.1212 8.7216 122.2586 55.8392 41.7754 175.6520 105 Y 4.7402 6.4683 117.5987 57.0600 41.7517 172.0980 106 V 4.7436 8.6567 121.3881 61.4862 33.6018 174.4824 107 K 4.8730 9.3951 129.0611 54.5849 35.4408 174.6302 108 V 4.5012 8.3351 127.8202 61.7983 32.9767 174.5593 109 L 4.6357 9.2631 128.3876 52.4050 44.3987 176.9559 110 G 4.0027 8.2382 110.1643 45.3531 0.0000 173.2299 111 A 4.6581 8.2218 121.0007 51.6510 21.9416 179.3095 112 G 3.8959 8.9105 108.9365 44.4597 0.0000 172.1162 113 Q 4.5160 8.1746 117.3896 54.1296 31.2327 175.3129 114 V 4.3237 7.9658 117.3892 61.9146 32.9560 174.6055 115 R 4.4771 8.7268 125.1310 56.1464 30.1948 175.6496 116 H 5.2581 7.7412 114.2519 53.7384 33.2957 172.4708 117 E 5.0481 8.8257 118.1251 55.2824 30.3807 175.8241 118 L 5.1432 8.6236 123.7241 53.0627 46.2476 175.7801 119 T 4.9078 8.9200 119.3707 62.1188 70.7614 172.7721 120 L 5.1697 8.7884 127.5162 53.1223 44.1901 175.8366 121 I 5.4734 8.6641 124.4341 59.0702 39.3663 174.7317 122 A 4.8010 8.6499 127.4213 50.5130 22.3753 176.0153 123 D 4.3992 8.6105 117.7757 57.1057 42.0001 176.4107 124 D 4.6039 7.2296 115.5021 53.3905 44.4877 174.1153 125 F 5.5649 8.9863 120.6968 54.9433 43.4967 174.1315 126 S 4.6648 8.6463 115.0826 57.1920 65.4425 174.3247 127 E 4.0043 9.2540 120.2807 59.9783 29.1801 179.7099 128 G 3.9367 8.2209 104.3282 48.1202 0.0000 174.8980 129 A 4.0688 7.9695 123.0243 55.0215 18.3625 179.7509 130 R 3.7770 8.1207 116.2907 59.4523 30.1490 178.7854 131 E 3.9336 8.2616 118.1269 59.6767 29.4385 179.8848 132 K 3.9264 8.0471 117.8862 59.6796 32.2534 179.6162 133 V 3.6112 7.9407 118.3204 65.9419 31.2319 177.9389 134 E 4.8210 7.9661 120.0236 58.6146 29.3249 179.1580 135 G 3.7296 8.3557 104.5542 46.7906 0.0000 173.6132 136 A 4.6009 7.7875 123.8078 51.7593 19.6264 176.9526 137 G 4.0424 8.2960 105.2598 48.7059 0.0000 173.6709 138 G 4.8994 7.8607 104.3043 42.9639 0.0000 172.2433 139 S 5.0974 9.0841 113.4606 56.3250 67.0414 173.3977 140 V 4.5137 8.0937 119.7327 61.2475 33.7923 174.2158 141 E 4.5661 9.2131 128.6653 54.7857 31.4823 174.9630 142 L 5.0825 8.3959 126.5639 54.2414 43.5752 176.3500 143 T 4.1925 8.7560 123.0894 63.4171 69.7238 175.2716 144 D 4.3809 8.7449 121.7832 57.4403 41.0941 179.0824 145 L 3.9876 7.9750 120.1839 57.7671 42.3918 178.0944 146 G 3.7920 7.8835 106.8480 47.1339 0.0000 174.8026 147 E 4.4787 7.8648 120.5158 56.8881 29.1639 176.9370 148 E 4.7982 8.6083 114.2716 56.3281 30.1579 178.5595 149 R 4.5521 7.4508 116.4239 52.1040 30.9137 176.1767 150 Q 4.3065 7.9022 121.4052 56.8447 29.3147 173.0984 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 4.29 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 4.49 0.00 4.07 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 3 K 9.46 3.88 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.11 3.87 0.00 1.83 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.54 3.96 0.00 1.68 2.05 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.56 4.35 0.00 1.95 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 7 Q 8.09 4.23 0.00 1.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.96 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 8 R 7.63 4.01 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 8.99 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 10 S 8.00 4.22 0.00 3.99 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 11 R 8.20 4.25 0.00 1.97 2.11 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.65 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 1.32 0.00 0.00 13 H 8.37 4.21 0.00 3.33 3.42 0.00 5.70 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 8.52 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 0.00 0.00 0.00 15 G 7.95 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 16 G 7.82 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 17 S 8.54 4.20 0.00 3.87 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 18 H 8.89 4.39 0.00 3.31 3.40 0.00 5.57 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 19 K 7.51 4.11 0.00 1.70 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.29 7.81 20 N 7.88 4.38 0.00 2.69 2.62 0.00 0.00 6.95 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.46 4.37 0.00 1.77 1.89 0.00 3.17 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 1.65 1.63 0.00 22 R 7.28 4.55 0.00 1.73 0.96 0.00 3.24 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 23 G 8.47 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 24 A 8.60 4.34 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 7.99 3.62 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 0.00 0.00 0.00 26 H 8.03 4.47 0.00 3.02 3.49 0.00 5.92 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 27 R 7.79 4.49 0.00 2.04 1.93 0.00 3.34 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 28 G 7.79 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 29 G 8.22 4.04 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 0.00 0.00 0.00 30 R 8.63 4.05 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.29 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.70 4.64 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 7.49 4.11 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 34 G 8.99 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 0.00 0.00 0.00 35 R 7.63 3.48 0.00 1.69 2.02 0.00 2.74 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 36 D 7.91 4.99 0.00 2.74 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 37 K 9.15 4.23 0.00 1.76 1.67 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.53 7.81 38 H 9.68 4.55 0.00 3.31 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.55 4.71 0.00 1.85 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 2.17 2.04 0.00 40 F 8.14 4.98 0.00 3.18 3.25 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 41 H 6.46 3.55 0.00 2.91 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.95 4.28 0.00 2.82 2.87 0.00 0.00 6.88 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 7.80 4.89 0.00 3.28 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.80 4.10 0.00 1.98 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 2.33 2.32 0.00 45 P 0.00 4.43 0.00 2.18 2.10 0.00 3.78 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 2.01 2.02 0.00 46 L 8.13 4.21 0.00 1.66 1.63 0.91 0.92 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 8.02 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 0.00 0.00 0.00 0.00 48 K 7.99 4.60 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.48 4.41 0.00 3.80 3.70 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 50 G 9.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.42 5.00 0.00 3.11 2.94 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 52 K 8.22 4.26 0.00 1.65 1.59 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 7.97 4.53 0.00 1.72 1.85 0.00 3.33 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.37 0.00 54 P 0.00 4.27 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 9.01 3.92 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.97 4.38 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 7.99 4.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.57 4.60 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 59 E 8.58 4.49 0.00 1.92 1.78 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 2.47 2.27 0.00 60 E 8.42 4.43 0.00 1.94 1.71 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 2.16 2.19 0.00 61 A 8.21 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.12 4.39 1.23 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 0.00 0.00 0.00 63 T 8.05 5.48 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 1.19 0.00 0.00 64 I 7.75 4.26 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.88 0.00 0.00 65 D 8.38 5.73 0.00 2.64 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 66 V 8.71 3.61 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 0.92 0.00 0.00 1.00 0.00 0.00 67 R 7.84 3.89 0.00 1.88 2.02 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 68 E 8.30 3.86 0.00 1.96 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 2.33 0.00 69 I 7.87 3.66 2.02 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 0.55 0.91 0.00 0.00 70 D 8.67 4.34 0.00 2.84 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 71 E 8.26 4.22 0.00 1.95 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 2.34 2.67 0.00 72 N 8.01 5.04 0.00 2.66 2.70 0.00 0.00 6.85 7.30 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 73 V 7.54 3.19 0.67 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 0.47 0.00 0.00 0.30 0.00 0.00 74 T 7.65 3.85 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 1.16 0.00 0.00 75 L 7.15 4.09 0.00 1.91 1.76 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.75 4.44 0.00 1.86 1.65 0.89 0.60 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 77 A 8.17 3.99 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 78 A 7.73 4.44 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 79 D 8.28 4.50 0.00 2.78 2.61 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 80 D 7.56 4.23 0.00 3.00 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 8.29 4.52 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 0.38 0.00 0.00 0.96 0.00 0.00 82 A 8.13 4.26 1.13 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 0.00 0.00 83 E 8.97 3.80 0.00 1.99 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 2.24 1.95 0.00 *89 F 7.76 4.60 0.00 3.03 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 90 R 8.66 5.16 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.63 4.48 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 0.74 0.00 0.00 0.96 0.00 0.00 92 D 8.79 4.82 0.00 2.73 2.79 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 93 V 8.48 3.58 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 0.86 0.00 0.00 0.97 0.00 0.00 94 R 7.82 4.15 0.00 2.05 2.01 0.00 3.22 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 95 D 8.12 4.62 0.00 2.78 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 96 V 7.86 3.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 97 V 7.27 3.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.56 4.21 0.00 2.06 1.83 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 2.38 2.31 0.00 99 E 9.09 4.09 0.00 2.18 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 2.23 0.00 100 A 7.49 4.48 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 0.00 101 D 7.98 4.74 0.00 2.63 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 0.00 102 D 8.00 4.54 0.00 2.80 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 7.57 4.77 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 0.00 104 D 8.72 4.12 0.00 2.54 2.49 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 0.00 105 Y 6.47 4.74 0.00 2.96 3.03 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 0.00 106 V 8.66 4.74 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.40 4.87 0.00 2.02 1.67 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 108 V 8.34 4.50 1.77 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 0.98 0.00 0.00 0.75 0.00 0.00 109 L 9.26 4.64 0.00 1.79 1.56 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.24 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 0.00 111 A 8.22 4.66 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 8.91 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 0.00 0.00 0.00 113 Q 8.17 4.52 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 114 V 7.97 4.32 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.73 4.48 0.00 1.58 1.80 0.00 3.11 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.74 5.26 0.00 3.02 3.30 0.00 5.69 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 8.83 5.05 0.00 2.02 2.25 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 2.32 2.29 0.00 118 L 8.62 5.14 0.00 1.63 1.62 1.00 0.76 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 0.00 119 T 8.92 4.91 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 8.79 5.17 0.00 1.85 1.88 1.08 0.68 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 0.00 121 I 8.66 5.47 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.86 0.98 0.00 0.00 122 A 8.65 4.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.40 0.00 2.81 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 0.00 124 D 7.23 4.60 0.00 2.46 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 0.00 0.00 0.00 0.00 125 F 8.99 5.56 0.00 2.82 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.65 4.66 0.00 3.93 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 0.00 127 E 9.25 4.00 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 128 G 8.22 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 0.00 129 A 7.97 4.07 1.56 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 0.00 130 R 8.12 3.78 0.00 2.03 1.93 0.00 3.15 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 131 E 8.26 3.93 0.00 2.02 2.03 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 2.34 2.50 0.00 132 K 8.05 3.93 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 V 7.94 3.61 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 1.10 0.00 0.00 1.04 0.00 0.00 134 E 7.97 4.82 0.00 2.03 1.95 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 2.40 2.33 0.00 135 G 8.36 3.73 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 0.00 0.00 0.00 136 A 7.79 4.60 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 8.30 4.04 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 0.00 0.00 0.00 138 G 7.86 4.90 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 0.00 0.00 0.00 139 S 9.08 5.10 0.00 3.79 3.89 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 0.00 0.00 0.00 140 V 8.09 4.51 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 -0.96 0.00 0.00 0.48 0.00 0.00 141 E 9.21 4.57 0.00 1.96 1.87 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 2.24 2.22 0.00 142 L 8.40 5.08 0.00 1.66 1.60 1.22 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.76 4.19 4.35 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 1.26 0.00 0.00 144 D 8.74 4.38 0.00 2.71 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 7.97 3.99 0.00 1.61 1.85 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.88 3.79 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 0.00 147 E 7.86 4.48 0.00 2.10 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 2.35 2.47 0.00 148 E 8.61 4.80 0.00 1.80 1.85 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 2.20 2.50 0.00 149 R 7.45 4.55 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 150 Q 7.90 4.31 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.