NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.9237 8.2681 121.8870 55.1018 42.3232 175.1802 2 K 4.2716 8.0172 123.0241 56.0113 35.3739 174.3136 3 G 4.0820 9.1991 106.7248 43.9537 0.0000 172.8682 4 L 4.4789 8.4237 118.4632 55.6501 41.9368 178.2110 5 R 4.6326 9.1116 122.8272 56.1277 32.8533 176.1778 6 R 5.6796 7.4957 117.3117 55.9625 33.6383 173.6385 7 L 5.3011 8.5757 124.3725 52.9737 46.6519 175.6979 8 V 4.7407 8.6560 121.2466 61.4279 34.4084 173.9468 9 L 5.2042 8.9360 128.9625 52.9582 44.5960 175.6429 10 D 4.6114 9.4863 124.3543 53.5912 41.8897 174.9316 11 V 4.8624 8.4506 126.5697 60.8847 34.6340 173.8902 12 L 5.1627 8.5369 128.6985 53.2031 44.8062 175.1580 13 K 4.9152 8.4604 123.3005 54.9370 36.3027 173.6360 14 P 4.7694 0.0000 0.0000 62.2606 32.3909 177.4160 15 H 4.3654 8.2925 116.8316 57.9816 28.7733 176.1031 16 E 4.7532 7.4439 119.1520 53.6151 31.5270 174.1592 17 P 4.6681 0.0000 0.0000 61.5309 32.8209 176.1030 18 K 4.0228 8.6477 118.8363 56.9454 32.7100 178.0813 19 T 3.7658 8.6789 112.7397 65.2559 68.1987 176.4056 20 I 3.7418 7.8533 115.1276 63.8830 37.2745 178.0333 21 V 3.5899 8.1578 120.3668 65.7720 31.4114 177.5318 22 F 3.9065 8.7743 116.6600 60.8031 38.8127 177.2409 23 A 4.0434 8.4796 120.3339 55.8600 18.1285 179.3338 24 L 4.1557 7.9966 118.4403 57.2473 41.5337 179.7131 25 K 3.8564 8.2748 119.3772 59.2084 32.4045 178.4080 26 L 4.4097 7.8379 118.8298 56.5028 42.2992 178.8678 27 S 4.2326 8.2121 114.2626 60.9667 62.5279 175.3859 28 E 4.5692 7.7914 119.8454 55.2632 29.5759 176.2851 29 L 4.2649 7.0741 119.7933 54.0246 42.5130 176.0622 30 E 4.1116 8.3771 121.3285 57.2464 30.3023 176.2549 31 N 4.4572 9.1073 121.7905 53.2359 35.8477 173.4826 32 V 4.3745 7.3755 118.2484 61.3588 32.0681 175.4753 33 D 4.5141 9.2340 128.6361 54.9191 41.3538 176.5558 34 G 4.5518 6.8774 109.5800 46.1940 0.0000 171.4853 35 V 5.0707 7.9803 119.2701 61.0194 35.5212 174.2999 36 N 4.9222 8.9603 122.9976 52.1884 42.1491 172.8980 37 I 4.8678 8.5438 127.2640 59.9411 39.3278 174.3721 38 H 4.7640 9.2107 128.1536 54.3116 31.8785 173.3033 39 L 4.3421 8.0937 128.0100 55.0043 42.0783 175.9116 40 S 4.5205 9.0718 124.0765 60.3115 63.0040 173.9479 41 E 4.7738 7.8270 118.8339 54.7402 33.4534 173.0924 42 I 4.8311 8.3364 124.0757 59.8160 40.3624 174.5195 43 D 5.0164 9.0754 124.7353 52.3774 44.4716 176.3116 44 Q 4.0704 8.6881 117.6177 59.3562 28.9521 177.1496 45 A 4.9013 7.9489 116.4058 52.1813 26.3000 175.7204 46 T 4.7238 7.8504 104.6018 59.7554 73.0571 172.4946 47 E 5.0691 8.9235 118.2382 54.8694 33.8196 173.8316 48 N 5.5140 9.6182 118.8163 51.4844 41.4717 174.0864 49 I 5.1060 8.7510 116.0668 59.0507 42.2539 174.4957 50 K 4.6265 9.1919 121.8061 54.8777 34.9301 175.4088 51 I 4.7332 8.3718 127.0423 60.2942 39.0396 175.2092 52 T 5.0149 9.2374 124.6934 61.9840 70.8856 173.2023 53 I 4.9017 8.6557 128.0069 59.3045 40.0264 174.5645 54 L 4.9825 8.2043 128.4398 53.5396 44.5957 175.0247 55 G 4.5020 8.2686 113.0651 46.5054 0.0000 170.9954 56 N 5.0348 8.4535 120.0956 52.2244 42.3205 175.4064 57 N 4.2392 8.3666 122.9500 54.0829 38.0561 174.1841 58 L 4.0092 7.9355 117.0870 55.3078 42.8066 178.0035 59 D 4.7999 8.3566 120.2925 53.0218 42.4839 175.8694 60 Y 4.0527 8.7012 127.6610 60.9684 38.7914 177.3930 61 E 4.0410 8.4396 119.1159 59.5427 29.5715 179.4838 62 Q 3.8518 7.9029 119.0464 59.1091 29.3502 177.5880 63 I 3.5837 7.7682 120.8907 64.4264 37.1426 178.1506 64 K 3.7396 8.1351 120.5404 59.3331 31.7696 178.8007 65 G 3.5584 7.8304 105.7648 47.9036 0.0000 175.5558 66 V 3.4937 7.6175 120.0773 65.6726 31.7378 177.8518 67 I 3.7609 7.6337 119.2652 64.5490 36.7775 178.3945 68 E 4.7882 8.1645 119.6964 58.4227 29.5781 179.2070 69 D 4.6481 8.1613 120.7707 53.8376 40.7859 177.4301 *71 G 3.9318 8.1034 107.4730 44.7745 0.0000 173.9972 72 G 4.0634 8.2564 108.4618 46.2447 0.0000 173.1572 73 V 4.8072 8.7289 122.3104 60.8365 35.2040 174.4550 74 I 4.5137 8.4541 128.4444 61.0317 36.9743 175.2732 75 H 4.7476 9.5416 126.5718 58.5473 29.4514 176.1866 76 S 4.5413 7.8283 109.4836 57.6097 65.9531 174.9446 77 V 4.4175 8.3345 122.2457 61.6469 30.6394 174.8342 78 D 4.6078 8.9007 128.4120 56.6280 41.5933 176.7053 79 E 4.7549 8.0013 117.6642 54.5024 33.5678 174.3697 80 V 4.9099 8.3408 124.8209 61.2874 34.6466 174.2988 81 V 4.6215 8.8153 127.2938 61.2633 34.4041 174.0074 82 A 4.9005 8.6884 126.7881 51.8477 22.2364 174.6489 83 G 3.7443 8.0765 104.6252 44.2931 0.0000 173.7961 84 K 4.4016 8.5638 116.7561 57.2763 32.6109 177.2571 85 I 4.4710 7.3839 117.4644 59.1722 39.8312 175.7097 86 I 3.9803 8.1329 124.3770 60.6194 36.0808 175.3856 87 V 4.0489 8.0676 125.6182 61.5300 32.2625 175.5065 88 E 4.4495 8.4447 126.6136 55.0471 30.7834 176.0608 89 S 4.2236 8.3278 116.2993 58.2494 63.2406 174.3217 90 V 3.8484 8.2567 125.3243 63.1519 31.2944 175.5231 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 L 8.27 4.92 0.00 1.74 1.66 1.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.02 4.27 0.00 2.01 1.86 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.50 7.81 3 G 9.20 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 4 L 8.42 4.48 0.00 1.65 1.66 0.98 0.83 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 5 R 9.11 4.63 0.00 1.68 1.95 0.00 3.49 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 6 R 7.50 5.68 0.00 1.86 1.72 0.00 3.17 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 7 L 8.58 5.30 0.00 1.65 1.57 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.66 4.74 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 0.99 0.00 0.00 0.94 0.00 0.00 9 L 8.94 5.20 0.00 1.65 1.61 0.97 0.98 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 10 D 9.49 4.61 0.00 2.90 2.81 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 11 V 8.45 4.86 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 0.96 0.00 0.00 0.96 0.00 0.00 12 L 8.54 5.16 0.00 1.43 1.22 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.46 4.92 0.00 1.77 1.64 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.23 7.81 14 P 0.00 4.77 0.00 2.34 2.02 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 15 H 8.29 4.37 0.00 3.21 3.34 0.00 5.60 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 16 E 7.44 4.75 0.00 2.08 1.88 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 2.27 2.37 0.00 17 P 0.00 4.67 0.00 2.27 2.09 0.00 3.98 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 2.24 2.00 0.00 18 K 8.65 4.02 0.00 1.88 1.81 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.47 7.81 19 T 8.68 3.77 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 1.10 0.00 0.00 20 I 7.85 3.74 1.90 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 1.55 0.77 0.92 0.00 0.00 21 V 8.16 3.59 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 1.09 0.00 0.00 1.03 0.00 0.00 22 F 8.77 3.91 0.00 3.23 3.16 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 0.00 0.00 0.00 0.00 23 A 8.48 4.04 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 24 L 8.00 4.16 0.00 2.02 1.69 0.97 0.54 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 25 K 8.27 3.86 0.00 1.59 1.80 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 26 L 7.84 4.41 0.00 1.96 1.71 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.21 4.23 0.00 4.05 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 0.00 28 E 7.79 4.57 0.00 1.96 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 2.29 2.33 0.00 29 L 7.07 4.26 0.00 1.74 1.59 0.90 0.73 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 30 E 8.38 4.11 0.00 1.92 1.84 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 2.28 2.32 0.00 31 N 9.11 4.46 0.00 2.95 3.28 0.00 0.00 6.69 7.68 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 32 V 7.38 4.37 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 0.92 0.00 0.00 0.97 0.00 0.00 33 D 9.23 4.51 0.00 2.87 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 34 G 6.88 4.55 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 35 V 7.98 5.07 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 0.85 0.00 0.00 0.97 0.00 0.00 36 N 8.96 4.92 0.00 2.78 2.61 0.00 0.00 7.29 8.39 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 37 I 8.54 4.87 1.87 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 1.25 0.79 0.85 0.00 0.00 38 H 9.21 4.76 0.00 3.21 3.17 0.00 5.77 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 39 L 8.09 4.34 0.00 1.58 1.44 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.07 4.52 0.00 3.89 3.87 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 41 E 7.83 4.77 0.00 1.98 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 2.41 2.33 0.00 42 I 8.34 4.83 1.87 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 1.34 0.78 0.95 0.00 0.00 43 D 9.08 5.02 0.00 2.81 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 44 Q 8.69 4.07 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 45 A 7.95 4.90 1.22 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 0.00 0.00 46 T 7.85 4.72 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 1.16 0.00 0.00 47 E 8.92 5.07 0.00 2.12 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 2.09 2.16 0.00 48 N 9.62 5.51 0.00 2.53 2.71 0.00 0.00 6.88 7.11 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 49 I 8.75 5.11 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.78 0.00 0.00 50 K 9.19 4.63 0.00 1.65 1.76 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.55 7.81 51 I 8.37 4.73 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.96 0.00 0.00 52 T 9.24 5.01 4.26 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 1.27 0.00 0.00 53 I 8.66 4.90 1.90 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 1.14 0.79 0.93 0.00 0.00 54 L 8.20 4.98 0.00 1.76 1.48 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.27 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.45 5.03 0.00 2.77 2.62 0.00 0.00 7.49 6.99 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 57 N 8.37 4.24 0.00 2.87 2.77 0.00 0.00 7.21 7.82 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 58 L 7.94 4.01 0.00 1.71 1.65 0.92 1.21 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 59 D 8.36 4.80 0.00 2.72 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 60 Y 8.70 4.05 0.00 3.12 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 61 E 8.44 4.04 0.00 2.06 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 2.61 2.50 0.00 62 Q 7.90 3.85 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 63 I 7.77 3.58 1.84 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 1.38 0.50 0.86 0.00 0.00 64 K 8.14 3.74 0.00 0.98 1.65 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.36 7.81 65 G 7.83 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 0.00 0.00 0.00 0.00 66 V 7.62 3.49 2.14 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 0.78 0.00 0.00 0.86 0.00 0.00 67 I 7.63 3.76 2.02 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 1.65 0.73 1.14 0.00 0.00 68 E 8.16 4.79 0.00 1.89 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 2.34 2.37 0.00 69 D 8.16 4.65 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 *71 G 8.10 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 72 G 8.26 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 73 V 8.73 4.81 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 1.11 0.00 0.00 1.01 0.00 0.00 74 I 8.45 4.51 1.95 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 0.71 1.07 0.00 0.00 75 H 9.54 4.75 0.00 3.15 3.34 0.00 5.71 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 76 S 7.83 4.54 0.00 3.86 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 77 V 8.33 4.42 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 0.81 0.00 0.00 0.95 0.00 0.00 78 D 8.90 4.61 0.00 2.75 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 79 E 8.00 4.75 0.00 1.99 1.72 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 2.27 2.30 0.00 80 V 8.34 4.91 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 0.82 0.00 0.00 0.91 0.00 0.00 81 V 8.82 4.62 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 82 A 8.69 4.90 1.18 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 0.00 0.00 83 G 8.08 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 0.00 0.00 0.00 84 K 8.56 4.40 0.00 1.76 1.88 0.00 1.75 0.00 0.00 2.36 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.42 7.81 85 I 7.38 4.47 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 1.41 0.87 0.91 0.00 0.00 86 I 8.13 3.98 1.87 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 1.30 0.75 0.91 0.00 0.00 87 V 8.07 4.05 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 0.81 0.00 0.00 0.97 0.00 0.00 88 E 8.44 4.45 0.00 1.99 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 2.27 2.23 0.00 89 S 8.33 4.22 0.00 3.83 3.76 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 90 V 8.26 3.85 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.