NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 Q 4.2948 8.3444 119.6876 54.1672 30.9591 174.4906 -2 S 4.3554 7.2728 108.9279 57.7496 64.8320 173.4073 -1 N 4.7622 9.1352 122.5084 53.2256 39.3470 175.1330 0 A 4.1561 7.2872 120.3034 52.4825 19.0397 178.6014 1 M 4.2111 8.6213 120.2508 56.9692 32.8970 175.9808 2 I 4.8639 7.4498 118.7309 59.6493 39.4968 174.9454 3 H 4.3729 9.3948 125.9412 58.5651 30.1435 175.0959 4 G 4.1497 7.3032 103.4747 46.1310 0.0000 172.1033 5 I 5.1826 7.7345 112.8165 59.1529 41.5779 174.3049 6 G 4.3356 9.0174 109.3589 45.0413 0.0000 172.1421 7 V 5.1146 8.1363 120.2273 59.9931 34.4073 173.9740 8 D 4.7839 9.0584 121.7890 52.7226 44.8776 173.3868 9 L 5.1520 8.6823 127.1532 53.4180 44.5417 175.3572 10 I 4.8197 9.0347 125.9908 59.5276 42.0065 174.4793 11 E 4.1722 8.7738 125.8447 55.7074 30.2403 177.6927 12 I 3.6545 8.4822 126.1757 64.6290 37.0981 178.1257 13 D 4.3470 7.9762 119.1175 57.4807 40.6244 178.7822 14 R 3.8250 7.8032 118.6601 59.4792 30.0388 178.7172 15 I 3.6897 7.4415 119.1849 64.0333 37.1648 177.9132 16 Q 4.0198 8.4860 120.7380 59.2371 28.9308 178.2796 17 A 3.9831 8.2053 121.8873 54.9238 18.3987 179.3323 18 L 3.8784 7.9792 118.8333 58.5917 42.0060 178.6791 19 Y 4.3028 7.9988 118.0493 60.7582 38.8011 177.7193 20 S 4.1069 8.1127 115.3306 61.4142 63.0188 176.6679 21 K 4.1787 7.8689 119.7668 58.4367 33.5634 177.9951 22 Q 4.6133 8.3342 118.2517 52.5597 28.7325 174.3883 23 P 4.3003 0.0000 0.0000 65.6839 31.4610 178.6814 24 K 4.1336 8.0660 117.4715 58.8406 31.9200 178.8634 25 L 4.0765 8.2375 119.6175 57.3542 41.3492 179.2881 26 V 3.6075 7.7090 118.6420 65.8322 31.1595 177.4525 27 E 3.8559 7.9464 115.9204 58.3692 29.5748 178.3181 28 R 4.3325 8.0355 118.2652 57.1546 30.6878 177.3168 29 I 4.3124 7.5718 118.1227 62.8926 38.1956 175.8786 30 L 4.7122 8.2485 120.0144 53.4821 42.8503 177.4197 31 T 4.2647 8.7549 113.7564 61.1839 71.0286 175.9797 32 K 4.3253 8.4365 121.6421 59.0742 31.8397 179.3654 33 N 4.3781 8.1344 116.3245 56.4469 38.5808 177.1258 34 E 4.2757 8.2438 119.7070 59.6512 29.1265 179.3594 35 Q 4.2988 8.6662 118.5581 59.2744 28.5226 178.4916 36 H 4.2130 8.0613 118.2944 59.1192 30.2643 177.2573 37 K 3.6592 7.7600 120.2430 59.2355 31.3854 178.7029 38 F 4.2667 8.3952 121.1855 61.9322 39.0673 177.1047 39 N 3.9678 8.7380 114.7874 56.0058 38.3009 177.0844 40 N 4.3405 7.4779 117.3543 55.0492 38.8335 175.7672 41 F 3.9912 6.2374 117.1866 58.4640 39.2447 175.8702 42 T 4.1314 8.6205 115.2519 63.0172 69.5903 174.5636 43 H 4.7181 7.9875 122.5726 54.5266 31.5431 174.9088 44 E 3.8735 8.4833 128.1223 59.6592 29.5336 179.1035 45 Q 3.9785 7.8678 118.9303 59.1323 29.1030 178.2300 46 R 3.9031 7.9261 118.7580 58.2464 30.2194 178.5782 47 K 3.7135 7.4994 118.8708 59.4569 32.6971 179.4287 48 I 3.7603 7.7138 121.2707 64.0111 36.9199 177.8010 49 E 3.8480 8.0188 120.1847 59.2734 29.4532 178.6380 50 F 4.0541 8.1274 120.5797 61.2583 39.4036 176.8068 51 L 3.8217 8.4090 119.8015 58.0639 41.8741 178.8461 52 A 4.0893 8.5498 121.3939 55.0394 18.3209 179.8605 53 G 3.5531 8.3762 104.5153 47.9926 0.0000 176.2483 54 R 3.7441 7.8541 120.4587 58.6826 29.9825 178.8100 55 F 3.8182 8.3923 120.4088 61.2229 39.3280 177.0461 56 A 4.3698 8.1020 121.6731 55.0079 18.0973 179.6858 57 T 3.9465 7.7344 115.5281 66.2290 68.4668 177.0744 58 K 3.6108 7.7406 120.3007 59.0517 31.7376 179.3567 59 E 3.9882 7.9375 118.7638 59.3172 29.3820 179.2504 60 A 3.9301 8.2308 121.1229 55.0179 18.3760 179.3783 61 F 3.8620 8.4154 119.4740 61.5732 39.4616 177.3390 62 S 3.9869 8.2374 114.7390 61.5383 62.4066 176.8711 63 K 3.8443 7.9505 119.7407 59.5137 31.8403 178.9155 64 A 4.1952 7.8067 122.2392 54.4411 18.0139 179.4948 65 L 3.5482 7.3184 118.1693 56.6726 42.1228 178.1453 66 G 3.6193 7.6440 104.9268 46.2017 0.0000 173.0281 *73 V 3.8776 7.6459 117.3966 61.9622 32.5528 174.9154 74 A 4.2953 8.4588 129.7676 51.8352 19.3825 177.8087 75 F 4.1231 9.3795 121.8499 60.9933 39.0174 177.0064 76 N 4.6385 8.2915 113.6139 53.3865 37.0909 174.8886 77 D 4.7191 8.6914 117.8813 54.4816 41.7714 176.6543 78 I 3.9001 7.4152 121.2420 59.6699 36.2610 174.4050 79 D 4.5014 8.2694 125.2970 52.9403 40.8369 175.2344 80 C 4.8177 8.5926 128.6369 58.2627 32.4303 172.1460 81 Y 5.0367 8.7991 124.3296 55.3015 41.5598 173.7974 82 N 5.0755 8.7503 116.7120 52.5670 40.4694 173.4355 83 D 4.2877 9.1226 124.6445 55.5199 39.1159 177.2924 *85 L 3.9717 8.3372 115.2939 53.3512 43.9496 178.5870 86 G 3.8088 8.3240 106.2820 45.2494 0.0000 174.0562 87 K 4.2715 7.5652 123.2379 55.3817 33.2392 174.3503 88 P 4.9199 0.0000 0.0000 62.7023 32.3463 175.4211 89 K 4.5392 8.9217 123.0665 54.9176 36.1175 174.7078 90 I 5.0649 8.0794 124.8636 59.6901 40.8813 174.3216 91 D 4.9415 8.8995 125.9135 52.8490 42.5527 175.6343 92 Y 4.5705 8.4012 124.5378 55.8108 41.3785 173.5332 93 E 4.0194 8.3060 128.7688 57.7345 30.4046 176.2958 94 G 3.8861 9.2811 113.3856 44.9331 0.0000 172.7459 95 F 5.6144 7.6624 115.6381 55.8421 43.4729 174.6072 96 I 4.3773 9.1517 121.9527 60.0186 38.7221 175.2202 97 V 4.3751 8.4654 128.2341 61.9864 32.3670 174.5222 98 H 4.9587 9.0724 126.4182 54.4087 30.5501 174.6035 99 V 5.0029 8.2636 121.7119 61.4100 34.9400 174.2666 100 S 4.7429 8.9958 119.6354 56.8940 66.1831 172.6320 101 I 5.0861 8.2943 125.4332 59.6599 40.5852 174.6626 102 S 4.7198 8.8424 119.1134 56.9905 66.2214 172.2775 103 H 5.5325 8.8188 121.4241 54.4002 32.2954 172.6553 104 T 4.7567 8.7287 111.7611 59.5091 71.8841 173.2182 105 E 3.9790 8.9526 121.0121 59.4047 29.6422 177.3579 106 H 4.6926 8.0819 113.5346 56.0302 30.3248 173.6694 107 Y 5.3280 8.0190 115.9518 56.0134 42.4508 174.1869 108 A 5.3855 9.1376 123.4317 50.5999 22.7344 175.0606 109 M 5.3050 8.9766 116.9805 54.3720 35.5310 173.5755 110 S 5.2512 8.8576 112.8702 56.9766 66.5831 172.5844 111 Q 4.9680 9.2351 123.2786 54.3913 32.0239 174.2483 112 V 4.9397 8.8476 120.7161 61.1900 35.2891 174.1716 113 V 4.5268 8.9057 127.2640 61.0995 34.4891 174.1674 114 L 4.7209 8.8160 129.2513 53.5457 42.6723 175.2519 115 E 4.8847 9.0277 126.4829 54.9294 31.3037 175.5705 116 K 4.6686 8.9355 127.2214 56.4597 33.1840 176.6377 117 S 4.3776 8.9066 120.2532 57.3261 63.4979 174.4512 118 A 4.3348 8.7865 131.7441 53.4850 16.5710 177.1738 119 F 4.7984 6.5707 121.3774 58.1966 38.4069 176.4877 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 -3 Q 8.34 4.29 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 -2 S 7.27 4.36 0.00 3.84 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 -1 N 9.14 4.76 0.00 2.74 2.79 0.00 0.00 6.91 7.35 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 A 7.29 4.16 1.30 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 0.00 0.00 1 M 8.62 4.21 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 2 I 7.45 4.86 1.87 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 1.32 0.78 0.98 0.00 0.00 3 H 9.39 4.37 0.00 3.33 3.40 0.00 5.99 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 4 G 7.30 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 0.00 0.00 0.00 5 I 7.73 5.18 1.83 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 1.23 0.89 0.87 0.00 0.00 6 G 9.02 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 0.00 0.00 0.00 0.00 7 V 8.14 5.11 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 0.71 0.00 0.00 0.95 0.00 0.00 8 D 9.06 4.78 0.00 2.81 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 9 L 8.68 5.15 0.00 1.64 1.52 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 I 9.03 4.82 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.84 0.00 0.00 11 E 8.77 4.17 0.00 1.94 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 0.00 2.47 2.41 0.00 12 I 8.48 3.65 1.78 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 1.59 1.03 0.87 0.00 0.00 13 D 7.98 4.35 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 14 R 7.80 3.82 0.00 1.85 1.88 0.00 3.05 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 15 I 7.44 3.69 1.93 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.87 0.00 0.00 16 Q 8.49 4.02 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 17 A 8.21 3.98 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 18 L 7.98 3.88 0.00 1.83 1.88 0.88 0.74 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 19 Y 8.00 4.30 0.00 3.01 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 20 S 8.11 4.11 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.87 4.18 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 22 Q 8.33 4.61 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 23 P 0.00 4.30 0.00 2.22 1.90 0.00 3.72 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 2.01 1.89 0.00 24 K 8.07 4.13 0.00 1.82 1.94 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.49 7.81 25 L 8.24 4.08 0.00 1.85 1.79 0.96 0.62 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 26 V 7.71 3.61 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 0.60 0.00 0.00 1.11 0.00 0.00 27 E 7.95 3.86 0.00 2.17 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 2.60 2.39 0.00 28 R 8.04 4.33 0.00 2.02 2.04 0.00 3.32 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 29 I 7.57 4.31 1.97 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.77 1.09 0.00 0.00 30 L 8.25 4.71 0.00 1.68 1.64 0.76 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.75 4.26 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 1.33 0.00 0.00 32 K 8.44 4.33 0.00 1.84 1.93 0.00 1.96 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.42 7.81 33 N 8.13 4.38 0.00 2.94 2.92 0.00 0.00 7.16 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 34 E 8.24 4.28 0.00 2.41 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 2.56 2.61 0.00 35 Q 8.67 4.30 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 36 H 8.06 4.21 0.00 3.17 3.54 0.00 5.78 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 37 K 7.76 3.66 0.00 1.24 1.21 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.65 7.81 38 F 8.40 4.27 0.00 3.27 3.35 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 39 N 8.74 3.97 0.00 2.75 2.86 0.00 0.00 7.19 7.86 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 40 N 7.48 4.34 0.00 2.40 2.51 0.00 0.00 6.98 7.41 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 41 F 6.24 3.99 0.00 2.82 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 42 T 8.62 4.13 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 1.19 0.00 0.00 43 H 7.99 4.72 0.00 3.27 3.21 0.00 5.87 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 44 E 8.48 3.87 0.00 1.94 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 2.34 2.28 0.00 45 Q 7.87 3.98 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 46 R 7.93 3.90 0.00 1.65 1.65 0.00 3.06 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 47 K 7.50 3.71 0.00 1.61 1.85 0.00 0.61 0.00 0.00 1.36 0.00 0.00 3.03 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.39 1.01 7.81 48 I 7.71 3.76 1.86 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 1.56 0.93 0.91 0.00 0.00 49 E 8.02 3.85 0.00 2.04 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 1.91 2.00 0.00 50 F 8.13 4.05 0.00 3.01 3.17 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 0.00 0.00 0.00 51 L 8.41 3.82 0.00 1.86 1.86 0.72 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.55 4.09 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 53 G 8.38 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 0.00 0.00 0.00 54 R 7.85 3.74 0.00 1.71 1.77 0.00 3.14 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.27 0.00 55 F 8.39 3.82 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.10 4.37 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.95 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 1.09 0.00 0.00 58 K 7.74 3.61 0.00 0.79 0.74 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.96 1.12 7.81 59 E 7.94 3.99 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 60 A 8.23 3.93 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 61 F 8.42 3.86 0.00 3.07 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 62 S 8.24 3.99 0.00 4.17 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 63 K 7.95 3.84 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 64 A 7.81 4.20 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 65 L 7.32 3.55 0.00 0.80 1.40 0.43 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.64 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 *73 V 7.65 3.88 2.29 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 0.99 0.00 0.00 1.21 0.00 0.00 74 A 8.46 4.30 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 75 F 9.38 4.12 0.00 2.93 3.23 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 76 N 8.29 4.64 0.00 2.98 3.02 0.00 0.00 5.89 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 77 D 8.69 4.72 0.00 2.88 2.78 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 78 I 7.42 3.90 1.62 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 0.99 0.69 0.29 0.00 0.00 79 D 8.27 4.50 0.00 2.62 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 80 C 8.59 4.82 0.00 2.92 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 81 Y 8.80 5.04 0.00 3.04 3.02 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 82 N 8.75 5.08 0.00 2.69 2.80 0.00 0.00 6.92 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 83 D 9.12 4.29 0.00 2.98 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 *85 L 8.34 3.97 0.00 1.74 1.77 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.32 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 4.27 0.00 1.99 1.89 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 88 P 0.00 4.92 0.00 2.04 1.99 0.00 3.75 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 2.13 1.93 0.00 89 K 8.92 4.54 0.00 1.40 0.74 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.06 1.27 7.81 90 I 8.08 5.06 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.58 0.00 0.00 91 D 8.90 4.94 0.00 2.76 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 92 Y 8.40 4.57 0.00 3.20 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 93 E 8.31 4.02 0.00 1.78 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 2.00 2.13 0.00 94 G 9.28 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 0.00 0.00 0.00 95 F 7.66 5.61 0.00 3.11 3.02 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 96 I 9.15 4.38 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.02 0.85 0.00 0.00 97 V 8.47 4.38 2.34 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 0.91 0.00 0.00 1.22 0.00 0.00 98 H 9.07 4.96 0.00 3.20 3.19 0.00 5.61 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 99 V 8.26 5.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 100 S 9.00 4.74 0.00 3.88 3.59 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 0.00 101 I 8.29 5.09 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.81 0.00 0.00 102 S 8.84 4.72 0.00 3.83 3.59 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 0.00 103 H 8.82 5.53 0.00 3.04 3.12 0.00 5.69 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 0.00 104 T 8.73 4.76 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 1.26 0.00 0.00 105 E 8.95 3.98 0.00 1.86 1.79 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 1.98 2.23 0.00 106 H 8.08 4.69 0.00 3.19 2.91 0.00 5.61 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 0.00 107 Y 8.02 5.33 0.00 2.91 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 0.00 108 A 9.14 5.39 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 0.00 109 M 8.98 5.31 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 110 S 8.86 5.25 0.00 3.84 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 0.00 111 Q 9.24 4.97 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 112 V 8.85 4.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.99 0.00 0.00 113 V 8.91 4.53 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 1.04 0.00 0.00 0.92 0.00 0.00 114 L 8.82 4.72 0.00 1.41 0.94 0.05 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.03 4.88 0.00 2.20 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 2.36 2.52 0.00 116 K 8.94 4.67 0.00 1.70 1.72 0.00 1.95 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.70 1.53 7.81 117 S 8.91 4.38 0.00 4.08 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 0.00 118 A 8.79 4.33 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 0.00 119 F 6.57 4.80 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.