NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.5486 8.3193 117.1031 58.3024 62.9748 172.6207 0 H 4.8509 8.2070 121.0650 52.4940 31.3903 172.2031 1 M 4.1265 8.9514 123.8887 55.4550 33.4188 177.1379 2 A 4.4862 8.3780 124.5165 51.9453 20.4668 176.6861 3 G 3.5088 8.8207 108.5707 46.0215 0.0000 176.4793 4 L 3.1708 7.8825 121.7935 57.8647 42.0119 178.3148 5 E 2.5400 7.5136 118.6862 58.5146 29.2949 178.9663 6 V 3.2920 6.9191 117.6767 65.7146 31.7942 177.3231 7 L 3.6684 7.1892 120.1723 58.1165 41.6738 178.7989 8 F 3.9586 8.4180 120.3512 61.1762 39.2052 176.4963 9 A 4.0836 8.1187 119.7277 55.5932 18.2656 179.6744 10 S 4.1327 8.6783 111.3889 60.7144 63.0812 175.3883 11 A 4.5707 7.9178 122.8251 53.0124 20.0151 180.0818 12 A 3.7959 7.9826 120.2714 54.3399 18.9067 177.4712 13 P 4.1494 0.0000 0.0000 65.9531 31.2389 177.6525 14 A 4.0151 8.7353 121.6387 54.2519 18.4207 178.0211 15 I 4.1000 7.3266 117.0201 61.1910 35.1569 175.5759 16 T 4.4701 8.4741 111.8206 61.4292 69.6983 177.2560 18 R 4.1912 7.9587 122.6963 59.2915 30.4205 178.2869 19 Q 4.0445 8.1240 117.3514 59.1705 28.8181 178.4043 20 D 4.5711 8.3534 119.0036 57.7368 40.9165 178.8755 21 A 4.3460 8.1465 120.4769 55.0022 18.4354 179.2484 22 L 4.0695 8.1615 119.1106 58.5048 42.2407 179.3724 23 V 3.7516 8.0027 117.6701 65.2630 31.3925 177.7345 24 C 3.8667 8.2304 118.9496 62.4940 31.3860 174.8603 25 F 3.8808 8.4836 122.3642 61.5322 38.8042 176.9076 26 L 4.1015 8.2225 119.7592 58.2903 41.7991 178.3978 27 H 4.2358 8.2961 119.6684 58.6015 29.8878 177.1456 28 W 4.3878 8.2991 129.7894 60.1266 30.2051 177.8245 29 E 3.9838 7.6571 118.2717 58.9613 29.1843 178.7095 30 V 3.3574 7.6624 118.3797 65.8684 31.2090 177.9258 31 V 4.2467 7.9722 119.5186 65.5981 31.1860 177.8039 32 T 3.7058 7.2931 105.8653 62.8271 68.6236 173.9213 33 H 4.7731 8.0200 119.6498 56.3338 29.6139 174.6507 34 G 3.7068 7.5912 109.2329 45.6694 0.0000 174.1208 35 Y 4.6187 7.8405 119.2876 56.9192 39.6157 174.6275 *37 G 3.8979 8.2607 110.3663 46.5460 0.0000 172.3805 38 L 4.3753 9.4850 120.6022 54.4942 45.2172 176.5601 39 G 4.0767 7.2716 104.1820 46.2174 0.0000 171.8497 40 V 4.3942 8.1712 120.4244 61.5046 33.3175 176.6773 41 G 3.9487 8.3758 110.7223 45.2027 0.0000 172.9446 42 D 4.8081 8.6498 118.0361 53.4620 40.7236 176.7523 43 Q 4.6532 7.6454 117.6736 52.1225 31.1029 178.9588 44 P 4.2818 0.0000 0.0000 62.4753 30.8923 176.8858 45 G 3.8994 8.3227 113.6207 44.3532 0.0000 170.2498 46 P 4.4933 0.0000 0.0000 64.1585 31.6064 176.1037 47 N 5.0543 7.6902 116.6247 53.1945 39.7904 175.2821 48 D 4.8986 7.9712 118.5649 53.1554 39.7530 177.8184 49 K 4.0734 7.6115 120.8722 53.8792 32.7700 178.5360 50 K 4.2454 8.5647 125.9814 55.7996 32.5574 175.7325 51 S 4.6552 8.2700 118.7231 57.6063 65.5030 174.0246 52 E 4.4084 8.6985 123.6074 57.8532 29.9516 177.2338 53 L 4.3404 7.5514 118.0446 53.6625 42.4212 176.7242 54 L 3.7345 7.8464 120.3232 54.0426 42.0197 175.9152 55 P 4.4724 0.0000 0.0000 61.9474 32.1171 175.6642 56 A 4.2688 8.4105 123.4535 53.4505 17.6361 177.8741 57 G 3.9046 9.0197 109.9610 46.0675 0.0000 175.8073 58 W 4.4990 8.2075 119.3739 58.2139 28.1530 176.5142 59 N 4.6272 6.4248 115.3275 52.2733 36.7300 175.5541 60 N 4.1645 8.0443 118.7516 55.6839 39.1690 174.4081 61 N 4.6038 7.4612 116.8201 51.4941 39.5198 174.6041 62 K 4.0635 8.3827 124.5513 57.5765 32.5858 177.3836 63 D 4.8264 8.5366 119.4840 54.0879 43.1182 176.2785 64 L 5.0528 7.5229 119.1600 53.7440 45.3789 174.8577 65 Y 4.7015 9.5075 124.5795 56.1812 40.6624 174.7840 66 V 4.9506 8.5452 123.6015 61.1673 34.5029 174.0566 67 L 5.0640 9.0657 127.3292 53.1410 46.3471 175.5296 68 R 5.0881 9.1855 122.3062 54.8131 32.4802 175.0264 69 Y 5.1188 8.8320 120.2580 56.3520 42.3161 174.1913 70 E 4.9122 8.7461 120.5331 55.0537 32.6702 174.1195 71 Y 3.6617 8.9387 130.9892 57.7850 39.2342 176.0953 72 K 3.6855 7.9486 131.1748 58.6415 31.4735 178.6470 73 D 4.7291 7.4553 117.3435 55.4323 41.5373 180.4732 74 G 4.3173 7.7493 117.8865 45.7389 0.0000 177.6319 *76 R 5.0232 8.5118 123.0122 57.4263 29.8941 173.8882 77 K 4.9528 8.1079 129.2085 53.7396 35.3262 175.0237 78 L 5.0374 8.8652 117.0388 54.4837 46.6748 175.3529 79 L 5.1488 9.1938 125.0849 53.4062 44.9205 174.9788 80 V 4.7321 9.3392 127.2063 61.0516 34.1658 174.2362 81 K 5.2379 9.2554 127.3561 54.6034 35.1229 174.7929 82 A 5.1164 9.0561 127.3921 50.4604 21.3296 175.2979 83 I 4.8371 8.8203 124.7360 60.2233 39.0633 175.6566 84 T 4.5841 9.3352 126.0594 63.3854 69.7917 174.4841 85 V 4.4342 8.9427 125.9328 61.7537 34.8072 176.6441 86 E 3.7452 8.8871 130.3951 58.0462 28.1854 175.8044 87 S 4.7333 9.0578 123.6854 59.1003 63.4028 172.7300 88 S 5.3548 8.1874 116.7171 57.1417 67.6299 172.6193 89 M 5.0984 8.8864 119.7105 53.7873 35.8654 175.0701 90 I 4.7357 8.8430 123.8225 59.8504 39.3667 174.7799 91 L 4.9348 9.3648 129.0026 54.0387 43.4514 175.9008 92 N 5.8239 8.9011 121.5826 52.7677 42.8140 173.2001 93 V 4.8874 8.4606 125.3694 61.1155 35.2659 173.2531 94 L 5.0151 9.0463 130.2616 53.3029 44.6767 174.9297 95 E 4.6054 8.8382 130.1468 55.1851 29.5618 176.7392 *96 Y 4.3640 7.8865 132.4566 55.1116 33.7692 173.8048 97 G 4.0683 7.4999 119.5323 44.8580 0.0000 172.0723 98 S 5.5570 8.4722 124.4947 60.3814 64.2886 179.6718 99 Q 3.3702 7.6975 120.0974 55.8261 25.4407 179.9164 100 Q 4.3824 8.2083 123.1137 56.5805 29.6000 178.0908 101 V 4.9388 8.2236 120.2846 61.1377 34.6273 174.2171 102 A 4.9529 9.1030 129.2746 50.3567 22.0623 174.6890 103 D 5.3026 8.1833 118.3491 52.7920 45.4795 174.8793 104 L 4.3593 8.0186 118.1013 54.8861 46.3293 173.0385 105 T 5.2189 8.8020 122.3430 61.8471 71.5741 173.5560 106 L 4.8391 8.7884 124.3818 53.0577 46.3600 175.5406 107 N 5.0201 9.0655 121.8617 51.9250 38.5093 174.8607 108 L 4.1725 8.4688 127.5447 58.4581 41.5046 179.4514 109 D 4.4071 8.6510 117.9669 56.7218 40.7794 177.5521 110 D 4.5230 8.1600 117.4865 54.5658 41.8438 176.4402 111 Y 4.8371 7.7605 115.5834 57.7648 41.2608 175.4933 112 I 4.7910 7.8860 118.5074 59.2780 40.5076 175.1433 113 D 4.8590 8.5734 124.9852 52.4356 42.3537 176.7827 114 A 4.1402 8.8019 129.5936 54.3058 18.6807 177.6539 115 E 4.2334 8.4356 114.2922 57.5946 30.1792 176.8842 116 H 4.9219 8.1874 115.5352 55.3012 29.5131 175.6004 117 L 4.2837 8.2850 122.1618 57.7266 41.4067 178.2827 118 G 3.9493 8.0434 104.5080 45.4878 0.0000 173.0796 119 D 4.6773 8.5777 120.1351 51.7274 42.4908 175.1933 120 F 3.3620 8.8102 129.8111 61.2016 39.2988 176.7108 121 H 4.3755 8.4105 115.6426 57.1413 28.7246 175.9458 122 R 4.5156 7.7126 116.2966 55.8508 31.4655 176.6519 123 T 3.7189 7.4533 116.0010 66.1577 68.4584 173.7774 124 Y 4.8749 7.2854 119.2389 56.3878 38.3750 175.6538 125 K 4.1757 9.0766 126.3889 58.8347 33.2370 177.7488 126 N 5.1229 7.8854 114.9082 50.6504 39.4975 174.6733 127 S 4.2326 8.4510 121.2646 62.7429 63.3200 177.3887 128 E 4.0354 8.1713 122.0211 60.2036 29.6075 180.3933 129 E 4.1417 8.1789 120.0206 59.0644 29.7962 178.4522 130 L 3.4271 7.8865 120.3609 57.8800 41.9334 178.7514 131 R 4.0529 8.3119 118.8696 59.7699 30.0026 178.3554 132 S 4.1038 8.2247 114.6813 61.8974 62.4008 176.7304 133 R 3.8257 8.5350 120.6721 59.7582 29.7776 179.2306 134 I 3.7308 7.5552 118.7508 64.1297 37.1273 178.6207 135 V 3.4775 7.9375 119.4756 65.9193 31.2802 177.6581 136 S 4.5776 8.6498 111.0946 59.3108 63.2796 174.6035 137 G 4.0860 7.7599 108.6167 45.3365 0.0000 173.8358 138 I 4.3385 8.0089 118.4109 62.4434 39.8092 177.0860 139 I 3.8523 7.7625 119.4995 64.4627 37.3419 177.0117 140 T 3.9304 7.9254 117.2343 66.4038 68.8816 173.8990 141 P 4.6545 0.0000 0.0000 62.5256 30.2199 176.1352 142 I 3.8905 8.7348 116.7973 62.0120 37.4655 176.1565 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 S 8.32 4.55 0.00 3.65 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 H 8.21 4.85 0.00 3.25 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.95 4.13 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 2 A 8.38 4.49 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 3 G 8.82 3.51 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 0.00 4 L 7.88 3.17 0.00 1.61 1.59 0.75 0.48 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 5 E 7.51 2.54 0.00 1.42 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.47 0.00 6 V 6.92 3.29 1.80 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 0.82 0.00 0.00 0.74 0.00 0.00 7 L 7.19 3.67 0.00 0.90 1.36 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.42 3.96 0.00 3.34 2.96 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 9 A 8.12 4.08 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 10 S 8.68 4.13 0.00 3.91 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 11 A 7.92 4.57 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 12 A 7.98 3.80 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.15 0.00 2.20 2.22 0.00 3.76 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 2.03 2.00 0.00 14 A 8.74 4.02 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 15 I 7.33 4.10 1.64 0.00 0.00 1.00 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 -0.08 0.87 0.00 0.00 16 T 8.47 4.47 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 1.19 0.00 0.00 18 R 7.96 4.19 0.00 1.92 2.04 0.00 3.15 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 1.71 1.73 0.00 19 Q 8.12 4.04 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 20 D 8.35 4.57 0.00 2.78 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 21 A 8.15 4.35 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 4.07 0.00 1.84 1.79 0.87 0.73 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 23 V 8.00 3.75 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 1.02 0.00 0.00 0.34 0.00 0.00 24 C 8.23 3.87 0.00 3.12 3.33 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 25 F 8.48 3.88 0.00 3.37 3.22 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 26 L 8.22 4.10 0.00 1.89 1.91 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.30 4.24 0.00 3.47 3.52 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.30 4.39 0.00 3.32 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.66 3.98 0.00 1.88 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 2.57 2.58 0.00 30 V 7.66 3.36 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 -0.33 0.00 0.00 0.45 0.00 0.00 31 V 7.97 4.25 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.86 0.00 0.00 32 T 7.29 3.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 33 H 8.02 4.77 0.00 3.35 3.42 0.00 5.82 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 34 G 7.59 3.71 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 0.00 0.00 0.00 35 Y 7.84 4.62 0.00 2.93 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 *37 G 8.26 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 38 L 9.49 4.38 0.00 1.79 1.57 0.99 1.21 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 39 G 7.27 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 0.00 0.00 0.00 40 V 8.17 4.39 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 0.74 0.00 0.00 1.06 0.00 0.00 41 G 8.38 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 42 D 8.65 4.81 0.00 2.79 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 43 Q 7.65 4.65 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.13 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 44 P 0.00 4.28 0.00 2.04 2.27 0.00 3.66 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 2.04 2.10 0.00 45 G 8.32 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 46 P 0.00 4.49 0.00 2.19 2.19 0.00 3.71 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 1.99 1.99 0.00 47 N 7.69 5.05 0.00 2.68 2.82 0.00 0.00 7.01 8.06 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 48 D 7.97 4.90 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 49 K 7.61 4.07 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 50 K 8.56 4.25 0.00 1.98 1.77 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.00 7.81 51 S 8.27 4.66 0.00 3.89 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 52 E 8.70 4.41 0.00 2.21 2.37 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 2.32 2.39 0.00 53 L 7.55 4.34 0.00 1.69 1.58 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.85 3.73 0.00 0.91 0.39 -0.34 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.47 0.00 2.26 2.00 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 56 A 8.41 4.27 1.28 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 0.00 0.00 57 G 9.02 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 58 W 8.21 4.50 0.00 3.62 3.37 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 59 N 6.42 4.63 0.00 2.45 1.42 0.00 0.00 7.01 7.92 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 60 N 8.04 4.16 0.00 2.62 2.81 0.00 0.00 6.86 8.00 0.00 0.00 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 N 7.46 4.60 0.00 2.53 2.58 0.00 0.00 7.26 6.75 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 62 K 8.38 4.06 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.36 7.81 63 D 8.54 4.83 0.00 2.67 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 64 L 7.52 5.05 0.00 1.68 1.42 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 9.51 4.70 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 67 L 9.07 5.06 0.00 1.72 1.26 1.16 0.71 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 68 R 9.19 5.09 0.00 1.80 1.81 0.00 3.08 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 69 Y 8.83 5.12 0.00 2.99 2.95 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 70 E 8.75 4.91 0.00 2.02 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 2.28 2.39 0.00 71 Y 8.94 3.66 0.00 2.71 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 72 K 7.95 3.69 0.00 1.69 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.31 7.81 73 D 7.46 4.73 0.00 2.69 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 74 G 7.75 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 *76 R 8.51 5.02 0.00 1.54 1.90 0.00 3.31 0.00 0.00 3.34 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.00 77 K 8.11 4.95 0.00 1.43 1.72 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.02 7.81 78 L 8.87 5.04 0.00 1.90 1.64 0.45 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.19 5.15 0.00 1.75 1.53 0.96 0.93 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 80 V 9.34 4.73 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 1.05 0.00 0.00 0.98 0.00 0.00 81 K 9.26 5.24 0.00 1.90 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 82 A 9.06 5.12 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 83 I 8.82 4.84 1.92 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 1.27 0.69 0.95 0.00 0.00 84 T 9.34 4.58 4.30 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 1.27 0.00 0.00 85 V 8.94 4.43 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 1.02 0.00 0.00 0.99 0.00 0.00 86 E 8.89 3.75 0.00 2.17 1.28 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 2.22 2.32 0.00 87 S 9.06 4.73 0.00 3.88 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 88 S 8.19 5.35 0.00 3.89 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 89 M 8.89 5.10 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 90 I 8.84 4.74 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 1.26 0.67 0.94 0.00 0.00 91 L 9.36 4.93 0.00 1.62 1.58 0.89 -0.26 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 92 N 8.90 5.82 0.00 2.94 2.64 0.00 0.00 6.45 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 93 V 8.46 4.89 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 0.96 0.00 0.00 0.92 0.00 0.00 94 L 9.05 5.02 0.00 1.77 1.51 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.84 4.61 0.00 2.06 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 2.33 2.42 0.00 *96 Y 7.89 4.36 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.50 4.07 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 0.00 0.00 0.00 98 S 8.47 5.56 0.00 4.05 4.19 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 99 Q 7.70 3.37 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.02 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 100 Q 8.21 4.38 0.00 1.69 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 101 V 8.22 4.94 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 0.96 0.00 0.00 0.94 0.00 0.00 102 A 9.10 4.95 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 0.00 103 D 8.18 5.30 0.00 2.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.02 4.36 0.00 1.73 1.43 0.91 0.82 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 0.00 105 T 8.80 5.22 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 1.28 0.00 0.00 106 L 8.79 4.84 0.00 1.56 1.54 0.77 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 107 N 9.07 5.02 0.00 2.74 2.79 0.00 0.00 7.65 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 0.00 108 L 8.47 4.17 0.00 1.86 1.79 0.98 1.32 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 0.00 109 D 8.65 4.41 0.00 2.78 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 0.00 110 D 8.16 4.52 0.00 1.98 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 0.00 0.00 0.00 111 Y 7.76 4.84 0.00 2.93 2.84 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 0.00 112 I 7.89 4.79 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.13 0.90 0.00 0.00 113 D 8.57 4.86 0.00 2.67 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 0.00 114 A 8.80 4.14 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 0.00 115 E 8.44 4.23 0.00 2.10 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 2.26 2.24 0.00 116 H 8.19 4.92 0.00 3.26 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.29 4.28 0.00 1.68 1.84 0.95 0.99 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 0.00 118 G 8.04 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 0.00 119 D 8.58 4.68 0.00 2.64 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 0.00 120 F 8.81 3.36 0.00 2.36 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 0.00 121 H 8.41 4.38 0.00 3.33 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.71 4.52 0.00 1.65 1.64 0.00 3.10 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 123 T 7.45 3.72 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 0.78 0.00 0.00 124 Y 7.29 4.87 0.00 2.91 2.95 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 0.00 125 K 9.08 4.18 0.00 1.82 1.83 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 126 N 7.89 5.12 0.00 2.88 2.86 0.00 0.00 6.86 7.57 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 0.00 127 S 8.45 4.23 0.00 4.14 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 0.00 128 E 8.17 4.04 0.00 2.00 2.00 0.00 0.00 0.00 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 1.93 0.00 129 E 8.18 4.14 0.00 2.11 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 0.00 2.49 2.44 0.00 130 L 7.89 3.43 0.00 1.40 1.46 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.31 4.05 0.00 2.26 2.28 0.00 3.22 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 132 S 8.22 4.10 0.00 3.91 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 0.00 133 R 8.53 3.83 0.00 1.69 1.96 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 134 I 7.56 3.73 2.00 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 1.33 0.73 0.87 0.00 0.00 135 V 7.94 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 136 S 8.65 4.58 0.00 4.02 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 0.00 137 G 7.76 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 0.00 138 I 8.01 4.34 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.82 0.00 0.00 139 I 7.76 3.85 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.48 0.89 0.00 0.00 140 T 7.93 3.93 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 1.20 0.00 0.00 141 P 0.00 4.65 0.00 2.15 2.12 0.00 3.74 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 2.11 1.95 0.00 142 I 8.73 3.89 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.55 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.