NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7269 8.1333 121.3349 55.6405 29.8228 177.5733 20 K 3.6970 9.3708 122.8771 59.3699 31.9439 175.8803 21 D 4.3318 8.8266 119.5197 57.5029 41.7622 178.0346 22 K 4.5121 7.9868 119.8637 58.6685 32.1350 178.8113 23 E 3.9744 9.0382 120.3912 59.3072 29.5659 178.7575 24 F 4.2537 8.3948 120.5701 61.4587 39.3714 177.0451 25 Q 3.9868 8.2376 117.7062 58.9771 28.4330 179.1229 26 V 3.5955 8.2700 119.5862 66.0715 31.5288 178.1371 27 L 3.9794 8.0788 118.7594 57.4955 41.3348 179.2578 28 F 3.3515 8.4022 121.0971 61.0195 39.2367 177.2378 29 V 3.2622 7.9199 118.0042 66.0026 31.3183 177.8824 30 L 3.8728 8.0181 118.8738 58.0480 41.3512 179.7540 31 T 3.6460 7.7464 115.7500 66.5232 68.3137 176.8159 32 I 3.3887 7.1839 121.7334 64.3162 37.0085 178.4872 33 L 4.0128 7.9116 119.9553 58.1208 41.4943 179.8238 34 T 3.9549 7.9661 115.7066 66.6280 68.2871 176.8585 35 L 4.2452 8.1912 121.1239 57.6645 41.5303 179.5992 36 I 3.7270 8.1771 120.4979 64.3202 37.1164 178.2903 37 S 4.1918 8.4555 114.3616 61.4151 62.2202 176.5554 38 G 3.6502 8.0473 109.5032 47.3423 0.0000 175.9451 39 T 4.0670 8.2893 118.3970 66.6550 68.3486 176.8780 40 I 3.7699 8.0323 121.9505 64.0483 37.1494 178.3872 41 F 3.5502 7.8504 121.2634 61.4628 39.3205 177.0589 42 Y 4.1375 7.7082 116.3649 60.6071 37.3786 178.3178 43 S 4.9228 8.0035 115.8026 59.5388 63.5754 175.4922 44 T 4.3339 7.1769 110.6469 61.5020 69.1464 175.0392 45 V 4.0346 7.2290 118.9406 62.8195 33.4101 175.6877 46 E 4.4711 7.8578 115.9275 54.9360 30.2005 175.7637 47 G 3.9298 7.7383 106.3955 46.8237 0.0000 173.4472 48 L 4.6105 7.1430 116.6977 52.2045 44.7578 177.2126 49 R 4.2495 8.0746 120.0919 55.5728 32.0798 176.1705 50 P 4.2427 0.0000 0.0000 66.0844 31.3601 178.9165 51 I 3.7765 7.6904 116.7403 64.1041 37.8654 177.5559 52 D 4.3900 7.9260 119.2410 57.0959 40.7975 178.3905 53 A 4.0750 8.4232 121.8482 54.8930 18.2701 179.5546 54 L 4.0787 8.1069 120.3285 57.9320 42.2001 178.4583 55 Y 3.9775 8.1543 119.5451 60.7701 38.8338 177.8930 56 F 4.2218 8.8184 121.8695 61.3604 39.4855 177.2674 57 S 4.3706 8.3513 114.8943 61.5780 62.8257 176.8577 58 V 3.4627 7.9544 120.9688 66.2333 31.3871 178.6553 59 V 3.5095 7.5502 111.8776 64.1170 31.3340 178.9146 60 T 3.6800 7.3806 115.6840 66.4542 68.1855 176.9432 61 L 3.9501 7.6641 119.0572 56.9310 41.7676 177.9206 62 T 3.9252 7.4938 106.9169 60.9881 69.1643 175.4250 63 T 3.3845 7.6806 110.8381 62.4141 68.0836 173.0784 64 V 3.5588 7.7601 122.9421 64.7708 31.7701 177.1908 65 G 4.1027 8.3381 103.8109 45.6560 0.0000 171.7987 66 D 5.0053 8.4812 119.1423 52.5575 42.8527 176.2007 67 G 4.1863 8.7732 114.0774 45.6614 0.0000 173.3981 68 N 4.8595 8.1984 114.9204 54.3252 42.3756 174.9530 69 F 4.7596 8.1986 118.1141 57.4861 40.5587 175.0312 70 S 4.0882 6.6281 119.9294 56.2729 66.7163 172.6945 71 P 3.9466 0.0000 0.0000 63.5285 31.5005 176.0346 72 Q 4.3269 8.9354 121.0830 56.8404 30.1976 176.7751 73 T 4.5815 7.6108 108.6199 60.5729 72.0265 175.5443 74 D 4.5278 8.5657 121.5228 57.2278 40.7998 178.8438 75 F 4.8254 8.4281 121.3828 61.3416 39.5642 177.3458 76 G 3.9932 8.7009 105.5259 47.4399 0.0000 176.1208 77 K 4.1788 8.1918 120.7106 59.5277 32.2625 179.5178 78 I 3.9505 7.8782 112.7127 63.5758 37.4995 178.0976 79 F 3.8836 8.0810 123.0072 61.4032 39.0341 177.2126 80 T 4.1077 8.2873 115.4342 66.7694 68.1646 176.6355 81 I 3.7816 7.8541 121.6825 64.5276 37.1929 178.5635 82 L 4.0991 7.8749 119.7207 57.7407 41.2990 178.8273 83 Y 3.9827 8.2955 119.9721 60.5788 38.6390 178.2810 84 I 3.5134 7.9580 120.8061 64.5221 37.0390 178.5525 85 F 4.0735 7.6734 116.8088 60.3770 38.7720 177.3456 86 I 4.1420 7.9127 118.5375 63.0808 37.3335 177.6795 87 G 3.6260 8.1028 106.3172 46.3227 0.0000 175.9721 88 I 4.0032 7.7521 122.2835 64.2824 37.1099 178.5060 89 G 3.6945 8.0859 105.9713 47.7382 0.0000 175.2578 90 L 3.9266 7.8080 122.5338 57.8560 42.2023 178.8770 91 V 3.5632 7.9434 118.4129 66.2358 31.3505 177.9582 92 F 4.0933 8.6130 117.3190 59.8716 38.7674 178.1404 93 G 3.6600 8.1449 106.0183 47.6094 0.0000 175.6849 94 F 4.2985 8.7119 123.5355 61.2109 39.4277 177.2916 95 I 3.4208 8.0586 119.7362 64.4189 36.7402 177.9195 96 H 4.1220 8.4894 119.1599 59.3760 29.6986 177.5889 97 K 3.9434 8.1570 120.2599 59.1333 31.7592 179.1877 98 L 3.7050 8.0874 120.9304 57.8839 41.9318 178.8965 99 A 4.1069 7.8551 122.0054 54.8318 18.1758 179.8391 100 V 3.5065 7.7116 115.4559 65.1577 31.7546 176.9764 101 N 4.7215 8.1101 113.4266 52.9192 39.4669 174.6492 102 V 3.9771 7.0649 117.6131 64.1981 33.6877 177.4344 103 Q 3.9121 8.3939 118.9610 58.6359 28.4209 178.3923 104 L 3.9276 7.9494 121.4342 57.8588 42.1008 177.2975 105 P 4.1771 0.0000 0.0000 65.4933 31.1983 178.5956 106 S 4.0896 7.7522 112.7966 60.8013 62.1112 176.1568 107 I 3.6543 7.8720 121.6151 64.4391 37.1700 178.0304 108 L 4.1319 8.1397 120.1780 57.8826 41.0757 179.7905 109 S 4.1430 8.2501 114.2523 61.4620 62.6806 175.7035 110 N 4.6209 8.1506 117.6197 54.2061 38.5710 176.0674 111 L 4.5467 7.4082 119.3241 53.3883 42.6591 176.5505 112 V 3.7500 6.8996 119.8136 61.7294 31.9363 173.7217 113 P 4.5510 0.0000 0.0000 62.4668 32.3060 176.3700 114 R 4.1930 8.3164 118.9991 56.5092 30.8797 175.2089 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 *19 W 8.13 4.73 0.00 2.44 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 0.00 0.00 0.00 20 K 9.37 3.70 0.00 1.88 1.92 0.00 1.63 0.00 0.00 2.03 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.57 7.81 21 D 8.83 4.33 0.00 2.81 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 22 K 7.99 4.51 0.00 1.85 1.88 0.00 2.06 0.00 0.00 2.02 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.32 7.81 23 E 9.04 3.97 0.00 2.11 2.24 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 2.41 2.39 0.00 24 F 8.39 4.25 0.00 3.21 3.32 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 25 Q 8.24 3.99 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.81 0.00 26 V 8.27 3.60 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 1.13 0.00 0.00 1.04 0.00 0.00 27 L 8.08 3.98 0.00 2.00 1.90 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.40 3.35 0.00 2.59 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 29 V 7.92 3.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 30 L 8.02 3.87 0.00 1.76 1.63 0.91 0.74 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 31 T 7.75 3.65 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 0.83 0.00 0.00 32 I 7.18 3.39 1.42 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.33 0.70 0.00 0.00 33 L 7.91 4.01 0.00 1.74 1.68 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.97 3.95 4.33 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 1.22 0.00 0.00 35 L 8.19 4.25 0.00 1.78 1.73 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.18 3.73 2.01 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 1.39 0.76 0.91 0.00 0.00 37 S 8.46 4.19 0.00 3.93 4.17 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 38 G 8.05 3.65 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 0.00 0.00 0.00 39 T 8.29 4.07 4.42 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 1.29 0.00 0.00 40 I 8.03 3.77 1.97 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 1.39 1.31 0.86 0.00 0.00 41 F 7.85 3.55 0.00 2.42 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 0.00 0.00 0.00 42 Y 7.71 4.14 0.00 3.21 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 43 S 8.00 4.92 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.18 4.33 4.12 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 1.17 0.00 0.00 45 V 7.23 4.03 0.80 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 0.50 0.00 0.00 0.24 0.00 0.00 46 E 7.86 4.47 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.78 0.00 47 G 7.74 3.93 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 0.00 0.00 0.00 48 L 7.14 4.61 0.00 1.63 1.34 -0.11 0.29 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 49 R 8.07 4.25 0.00 1.79 1.81 0.00 3.11 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 50 P 0.00 4.24 0.00 2.15 2.12 0.00 3.58 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 2.10 2.14 0.00 51 I 7.69 3.78 1.88 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 1.64 1.24 0.89 0.00 0.00 52 D 7.93 4.39 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.42 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.11 4.08 0.00 1.93 1.97 0.97 0.56 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 55 Y 8.15 3.98 0.00 3.20 3.12 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 56 F 8.82 4.22 0.00 3.23 3.10 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 57 S 8.35 4.37 0.00 4.30 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 0.00 58 V 7.95 3.46 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 0.89 0.00 0.00 0.96 0.00 0.00 59 V 7.55 3.51 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 0.07 0.00 0.00 0.84 0.00 0.00 60 T 7.38 3.68 4.11 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 1.09 0.00 0.00 61 L 7.66 3.95 0.00 1.46 1.51 0.43 0.10 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 62 T 7.49 3.93 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 1.04 0.00 0.00 63 T 7.68 3.38 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 1.29 0.00 0.00 64 V 7.76 3.56 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 0.79 0.00 0.00 0.91 0.00 0.00 65 G 8.34 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 66 D 8.48 5.01 0.00 2.98 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 67 G 8.77 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 0.00 0.00 0.00 68 N 8.20 4.86 0.00 2.86 2.86 0.00 0.00 6.78 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 69 F 8.20 4.76 0.00 2.90 3.13 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 70 S 6.63 4.09 0.00 3.62 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 3.95 0.00 2.08 2.11 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 72 Q 8.94 4.33 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 73 T 7.61 4.58 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 74 D 8.57 4.53 0.00 2.88 2.85 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 75 F 8.43 4.83 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.70 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 77 K 8.19 4.18 0.00 2.10 1.96 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.76 7.81 78 I 7.88 3.95 1.97 0.00 0.00 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 1.57 1.05 1.13 0.00 0.00 79 F 8.08 3.88 0.00 2.45 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 80 T 8.29 4.11 4.62 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 1.48 0.00 0.00 81 I 7.85 3.78 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 1.11 0.00 0.00 82 L 7.87 4.10 0.00 1.64 1.63 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.30 3.98 0.00 2.01 2.90 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 84 I 7.96 3.51 1.86 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 1.40 0.74 0.52 0.00 0.00 85 F 7.67 4.07 0.00 2.99 3.06 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 86 I 7.91 4.14 1.90 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 1.67 0.74 0.90 0.00 0.00 87 G 8.10 3.63 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 0.00 0.00 0.00 88 I 7.75 4.00 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.61 1.01 0.00 0.00 89 G 8.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.81 3.93 0.00 1.75 1.79 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.94 3.56 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 0.69 0.00 0.00 0.82 0.00 0.00 92 F 8.61 4.09 0.00 3.29 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 G 8.14 3.66 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 0.00 0.00 0.00 94 F 8.71 4.30 0.00 2.99 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 95 I 8.06 3.42 1.93 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.89 0.00 0.00 96 H 8.49 4.12 0.00 3.37 3.54 0.00 5.78 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 97 K 8.16 3.94 0.00 2.02 2.06 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.58 7.81 98 L 8.09 3.70 0.00 1.28 1.55 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.86 4.11 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 0.00 100 V 7.71 3.51 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 0.81 0.00 0.00 0.78 0.00 0.00 101 N 8.11 4.72 0.00 2.71 2.72 0.00 0.00 6.74 8.31 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 0.00 102 V 7.06 3.98 1.92 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 0.77 0.00 0.00 -0.21 0.00 0.00 103 Q 8.39 3.91 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 104 L 7.95 3.93 0.00 1.81 1.76 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.18 0.00 2.11 2.02 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 106 S 7.75 4.09 0.00 3.91 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 0.00 107 I 7.87 3.65 2.00 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 1.49 0.78 0.89 0.00 0.00 108 L 8.14 4.13 0.00 1.80 1.69 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.25 4.14 0.00 4.02 4.17 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 0.00 110 N 8.15 4.62 0.00 2.90 2.89 0.00 0.00 6.97 7.50 0.00 0.00 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 L 7.41 4.55 0.00 1.76 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.90 3.75 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 0.76 0.00 0.00 0.99 0.00 0.00 113 P 0.00 4.55 0.00 2.21 2.02 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 114 R 8.32 4.19 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.