NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2159 8.3449 119.6441 55.5579 30.1019 174.1803 4 L 4.7347 8.2189 122.1224 51.9970 44.6655 173.6285 5 Q 4.5609 9.4703 124.8975 54.6634 33.1457 173.6587 6 E 5.1248 9.0024 126.1095 56.4731 31.1903 175.4463 7 S 4.4825 9.2848 115.9694 58.1289 66.9145 175.0330 8 G 3.9338 9.0951 107.6220 45.0117 0.0000 173.7314 9 G 3.7209 7.5037 108.8292 44.4073 0.0000 173.4140 10 G 3.7978 6.8213 104.3892 45.6907 0.0000 170.1035 11 L 5.1952 8.1662 121.4400 53.4674 43.8340 177.2233 12 V 4.7182 8.7420 118.7605 59.4252 36.5203 174.9928 13 Q 4.8553 8.3536 119.9084 53.9946 30.6099 173.5435 14 P 4.5574 0.0000 0.0000 64.6117 31.7143 177.1570 15 G 3.9071 9.4565 111.7609 45.0282 0.0000 173.6814 16 G 4.0993 7.9140 107.6041 45.7546 0.0000 172.5246 17 S 5.2147 8.2432 112.7607 56.7769 66.3083 173.2018 18 L 4.7425 8.5262 119.4367 53.2343 46.5275 176.0617 19 R 4.7016 8.2332 118.5791 54.4411 32.3391 175.2900 20 L 4.5689 8.4747 124.9951 54.1832 43.3651 176.3336 21 S 5.4276 9.1262 115.2209 56.9708 67.3285 171.8832 22 C 5.3211 9.1578 119.8055 54.9296 45.6093 172.4654 23 A 4.7678 9.0049 129.0768 50.8056 19.2091 177.6152 *30 S 4.4270 8.6720 117.6688 59.1247 64.8578 175.2063 31 N 4.4742 8.2330 115.9274 54.5303 38.8180 174.1853 32 Y 4.8096 7.6669 115.9475 55.9884 39.8660 176.0762 33 R 4.3364 8.7489 122.9930 56.7450 31.5833 175.5945 34 M 5.4444 8.9569 120.8273 53.8543 36.2589 174.8931 35 G 4.6194 9.2502 107.0289 44.6784 0.0000 171.3771 36 W 5.3440 8.9479 121.1181 54.7005 32.2484 175.0595 37 F 5.4997 9.8308 121.9647 55.8094 43.3771 173.8949 38 R 5.0819 9.3407 115.7753 54.7666 33.2898 174.0015 39 Q 4.8422 9.3790 122.0694 54.5496 31.5408 174.2420 40 A 4.8841 8.5021 128.2491 49.7203 21.4585 174.4617 41 P 4.1853 0.0000 0.0000 64.1829 31.7352 176.8146 42 G 3.9939 8.9595 110.3548 46.0621 0.0000 173.0237 43 K 4.6357 7.6313 118.0339 53.9423 35.4946 175.8281 44 E 4.1293 8.5808 123.7824 55.8908 30.0954 176.8317 45 R 4.2922 8.5119 122.2987 57.0990 30.6836 175.2806 46 E 4.9673 9.5675 124.4574 54.1068 32.3875 175.2161 47 F 3.7838 9.2043 125.5652 58.8757 39.8543 173.4958 48 V 3.9856 7.4067 123.9659 63.5799 33.5777 174.8610 49 A 4.6203 6.2489 119.0920 51.1586 22.5172 174.3786 50 T 5.6233 9.1980 113.9296 60.7079 71.7858 172.5436 51 I 5.1597 8.8891 125.3223 59.0374 41.9818 174.7769 52 S 4.5922 8.8904 123.4394 58.1254 64.0338 175.1774 53 Q 4.1552 8.8843 119.7442 59.3035 28.4356 178.9837 54 S 4.1535 7.9532 110.1237 59.4753 63.4212 175.1608 55 G 3.8324 7.9909 108.6323 45.2247 0.0000 173.8832 56 A 4.2310 7.5338 121.4000 53.0306 19.2752 177.4363 57 A 4.9026 7.8499 118.3753 50.1853 22.2476 175.3935 58 T 5.1507 8.5882 110.7873 59.8775 72.4656 173.0257 59 A 4.8353 8.6840 122.8810 50.5917 22.8821 174.7041 60 Y 5.1529 8.6723 117.3707 55.6099 41.5819 175.6263 61 A 4.2818 8.7989 125.0867 52.2245 19.1974 178.2983 62 D 4.3525 9.1469 120.6610 57.3469 41.4651 178.7920 63 S 4.1038 8.0614 112.1221 60.2687 63.2524 174.8875 64 V 3.7999 7.1467 111.8027 60.0676 33.3189 175.5292 65 K 3.8466 7.6747 121.7656 57.8379 32.2995 176.6587 66 G 3.9923 8.8270 114.2944 44.8907 0.0000 173.8835 67 R 4.5825 8.0147 117.2223 56.1901 33.1198 175.9280 68 F 5.5764 8.0721 115.7871 56.0687 41.7959 175.6994 69 T 4.7802 8.8790 117.8393 62.0671 72.2386 172.4939 70 F 5.8184 10.0742 130.3462 56.8461 40.8572 174.9224 71 S 4.9409 9.7721 119.8062 56.8582 66.9470 172.5992 72 R 5.0568 8.5408 119.2843 54.7737 33.9298 174.1406 73 D 4.7635 9.1960 122.9965 52.3908 43.0246 175.8910 74 N 4.3373 8.9049 124.3296 56.0751 38.9660 177.7657 75 A 4.0443 8.1981 119.7954 54.4135 18.5325 177.9454 76 K 4.3975 7.8223 111.8124 55.4806 32.8872 175.7860 77 N 4.2168 7.7513 115.0224 54.5507 36.8375 173.9525 78 L 4.9987 7.7396 115.1782 52.8972 46.1730 176.6347 79 L 5.1633 8.5435 121.1849 53.2276 45.7119 175.1180 80 Y 5.4773 9.3284 118.2195 56.3703 42.5719 174.4946 81 L 4.9622 9.0304 124.8713 53.0984 44.9140 174.7164 82 E 4.3556 9.0654 129.1266 55.9664 31.1965 175.1581 83 M 4.0797 8.8001 126.6267 53.4829 34.5918 174.7657 84 L 4.7539 8.5859 123.7003 52.6854 44.3889 176.5970 85 S 3.6922 8.3752 113.8375 59.7172 60.5248 173.2323 86 L 4.4464 8.0455 119.9202 54.6893 42.5799 176.8309 87 E 5.0334 9.2654 119.1008 53.5103 33.0423 174.8196 88 P 4.5163 0.0000 0.0000 65.0502 31.3670 178.3373 89 E 4.2084 8.0791 113.3187 58.0843 29.6557 176.9969 90 D 4.7193 8.2277 119.2041 55.4946 41.3069 176.6258 91 T 4.3465 8.0085 117.5135 63.7452 68.8526 173.6525 92 A 4.4251 8.5536 126.9633 51.5349 23.7894 175.0468 93 V 4.2302 7.9714 119.9294 62.8283 32.8576 174.3919 94 Y 5.1203 9.1110 126.0704 56.6748 40.2303 174.2552 95 Y 5.3898 9.6439 121.4926 56.4796 41.7313 173.9560 96 C 4.4500 9.6655 123.6535 55.3433 44.8592 172.1345 97 A 4.7836 8.3373 124.6242 50.1667 22.7951 174.6995 98 A 5.2137 8.9118 121.9541 50.1094 22.1763 175.2673 99 S 5.0261 9.5913 117.4496 56.4713 65.0309 174.6865 100 S 4.1532 8.4254 120.0379 58.2613 63.4673 174.7149 101 R 3.8263 7.3765 121.3049 56.5895 30.2711 176.8047 102 V 3.4379 8.3047 123.1878 65.5542 31.7845 175.9480 103 F 5.1093 7.3084 116.3748 55.7004 40.6959 174.9314 104 Y 4.1999 8.6239 124.9264 57.7489 39.3855 174.8744 105 T 4.4429 7.2801 115.5414 59.5119 72.2586 174.2427 106 E 3.8232 8.4591 118.9783 58.6619 29.7400 179.4814 107 V 3.5420 7.1852 118.3346 64.4213 31.3460 177.8303 108 L 4.1085 7.5528 118.9085 56.4383 41.4210 177.3428 109 Q 2.8108 7.7443 117.6095 54.9122 28.8893 175.2085 110 T 5.0622 7.9603 108.5913 59.6556 72.1841 175.0680 111 T 3.9211 8.7833 112.7999 65.1451 68.9504 176.5123 112 T 3.9569 7.5062 118.7962 66.4019 68.4838 175.3655 113 G 3.6581 8.1915 108.4302 46.7976 0.0000 172.8517 114 Y 4.5788 7.7965 116.8618 56.3907 40.8217 174.9043 115 D 4.6751 9.2617 122.0491 56.0402 42.2607 176.5433 116 Y 4.9850 7.6871 114.8483 55.9131 41.6371 174.5816 117 W 5.3018 8.8378 120.8987 54.9192 33.2104 175.4923 118 G 4.1160 9.1064 111.5716 45.7918 0.0000 173.5111 119 Q 4.5100 8.8386 117.2847 55.8409 29.3892 177.0839 120 G 3.7831 9.1782 105.1294 44.9121 0.0000 172.7908 121 T 4.6236 8.6239 114.2077 59.8207 70.5948 172.7096 122 Q 4.4798 8.7226 129.9923 55.9254 30.7569 174.2925 123 V 4.6084 8.9719 126.5584 61.3911 34.3126 174.1471 124 T 4.9234 9.0430 124.5766 61.7170 71.4696 172.9552 125 V 4.7932 8.7264 127.5313 60.7573 33.4680 175.2607 126 S 4.3109 8.8675 123.6882 58.1836 64.3794 174.9651 127 S 4.2939 8.4952 116.1065 59.0804 62.6050 174.3461 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 4.22 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 4 L 8.22 4.73 0.00 1.79 1.43 0.84 0.31 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 5 Q 9.47 4.56 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 6 E 9.00 5.12 0.00 1.99 2.10 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 2.70 2.40 0.00 7 S 9.28 4.48 0.00 3.87 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 8 G 9.10 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 9 G 7.50 3.72 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 0.00 0.00 0.00 10 G 6.82 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 11 L 8.17 5.20 0.00 1.60 1.53 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.74 4.72 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 0.68 0.00 0.00 0.88 0.00 0.00 13 Q 8.35 4.86 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 14 P 0.00 4.56 0.00 2.06 2.05 0.00 3.66 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 2.03 2.22 0.00 15 G 9.46 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 0.00 0.00 0.00 16 G 7.91 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 17 S 8.24 5.21 0.00 3.82 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 18 L 8.53 4.74 0.00 1.26 1.29 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.23 4.70 0.00 1.57 1.80 0.00 3.14 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 20 L 8.47 4.57 0.00 0.88 1.24 0.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.13 5.43 0.00 3.93 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 22 C 9.16 5.32 0.00 2.74 2.82 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 23 A 9.00 4.77 1.24 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 *30 S 8.67 4.43 0.00 3.91 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 31 N 8.23 4.47 0.00 2.55 2.62 0.00 0.00 6.86 7.46 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 32 Y 7.67 4.81 0.00 2.82 2.87 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 33 R 8.75 4.34 0.00 1.80 2.02 0.00 3.12 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 34 M 8.96 5.44 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.80 0.00 35 G 9.25 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 0.00 0.00 0.00 0.00 36 W 8.95 5.34 0.00 2.90 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 F 9.83 5.50 0.00 3.26 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 38 R 9.34 5.08 0.00 1.02 0.89 0.00 2.40 0.00 0.00 2.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 39 Q 9.38 4.84 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 40 A 8.50 4.88 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 41 P 0.00 4.19 0.00 2.07 2.04 0.00 3.84 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 2.05 2.12 0.00 42 G 8.96 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 43 K 7.63 4.64 0.00 1.66 1.64 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 44 E 8.58 4.13 0.00 2.03 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 2.32 2.25 0.00 45 R 8.51 4.29 0.00 1.70 1.79 0.00 2.55 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 46 E 9.57 4.97 0.00 2.07 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 0.00 2.44 2.21 0.00 47 F 9.20 3.78 0.00 3.13 3.04 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 48 V 7.41 3.99 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 1.13 0.00 0.00 0.87 0.00 0.00 49 A 6.25 4.62 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 50 T 9.20 5.62 4.86 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 1.63 0.00 0.00 51 I 8.89 5.16 0.71 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 0.91 0.94 0.26 0.00 0.00 52 S 8.89 4.59 0.00 3.95 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 53 Q 8.88 4.16 0.00 2.03 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.15 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 54 S 7.95 4.15 0.00 3.98 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 55 G 7.99 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.53 4.23 1.27 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 0.00 0.00 0.00 57 A 7.85 4.90 1.14 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 0.00 0.00 58 T 8.59 5.15 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 1.24 0.00 0.00 59 A 8.68 4.84 1.31 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 0.00 0.00 60 Y 8.67 5.15 0.00 2.90 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 61 A 8.80 4.28 1.27 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 0.00 0.00 0.00 62 D 9.15 4.35 0.00 2.81 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 63 S 8.06 4.10 0.00 3.95 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 64 V 7.15 3.80 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 0.12 0.00 0.00 0.84 0.00 0.00 65 K 7.67 3.85 0.00 1.93 1.70 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.36 7.81 66 G 8.83 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 67 R 8.01 4.58 0.00 1.89 2.31 0.00 3.42 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 68 F 8.07 5.58 0.00 2.66 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 69 T 8.88 4.78 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 1.34 0.00 0.00 70 F 10.07 5.82 0.00 3.07 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 71 S 9.77 4.94 0.00 4.03 4.05 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 0.00 0.00 0.00 72 R 8.54 5.06 0.00 1.74 1.69 0.00 3.31 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 73 D 9.20 4.76 0.00 2.95 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.34 0.00 2.84 2.86 0.00 0.00 6.92 8.10 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 75 A 8.20 4.04 1.31 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 0.00 0.00 76 K 7.82 4.40 0.00 1.82 1.88 0.00 2.03 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.58 7.81 77 N 7.75 4.22 0.00 2.86 2.84 0.00 0.00 6.69 7.37 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 78 L 7.74 5.00 0.00 1.44 0.96 1.03 0.36 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 79 L 8.54 5.16 0.00 1.71 1.92 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 9.33 5.48 0.00 2.97 2.83 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 0.00 0.00 0.00 81 L 9.03 4.96 0.00 0.69 0.50 0.80 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.07 4.36 0.00 2.04 1.76 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 2.19 2.19 0.00 83 M 8.80 4.08 0.00 0.98 1.34 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.81 0.00 84 L 8.59 4.75 0.00 1.61 1.56 0.95 0.72 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 85 S 8.38 3.69 0.00 4.00 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 86 L 8.05 4.45 0.00 1.78 1.60 0.78 0.90 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 87 E 9.27 5.03 0.00 2.08 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 2.30 2.29 0.00 88 P 0.00 4.52 0.00 2.21 2.18 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 89 E 8.08 4.21 0.00 2.09 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 0.00 2.29 2.35 0.00 90 D 8.23 4.72 0.00 2.91 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 91 T 8.01 4.35 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 1.31 0.00 0.00 92 A 8.55 4.43 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 93 V 7.97 4.23 2.02 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 0.41 0.00 0.00 0.99 0.00 0.00 94 Y 9.11 5.12 0.00 2.93 3.04 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 95 Y 9.64 5.39 0.00 3.21 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 96 C 9.67 4.45 0.00 1.23 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 97 A 8.34 4.78 -0.26 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 98 A 8.91 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.59 5.03 0.00 2.87 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.15 0.00 3.82 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 0.00 101 R 7.38 3.83 0.00 1.73 1.82 0.00 3.24 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 102 V 8.30 3.44 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.66 0.00 0.00 103 F 7.31 5.11 0.00 3.10 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 0.00 104 Y 8.62 4.20 0.00 2.98 2.93 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 0.00 105 T 7.28 4.44 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 1.18 0.00 0.00 106 E 8.46 3.82 0.00 2.10 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 0.00 2.29 2.23 0.00 107 V 7.19 3.54 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 0.58 0.00 0.00 0.90 0.00 0.00 108 L 7.55 4.11 0.00 1.52 1.83 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.74 2.81 0.00 1.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 1.33 1.96 0.00 110 T 7.96 5.06 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 1.24 0.00 0.00 111 T 8.78 3.92 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 0.98 0.00 0.00 112 T 7.51 3.96 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 1.22 0.00 0.00 113 G 8.19 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 0.00 114 Y 7.80 4.58 0.00 2.77 2.45 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 0.00 115 D 9.26 4.68 0.00 2.69 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 0.00 0.00 0.00 0.00 116 Y 7.69 4.99 0.00 2.68 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 0.00 117 W 8.84 5.30 0.00 3.08 3.08 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 0.00 118 G 9.11 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 0.00 0.00 0.00 0.00 119 Q 8.84 4.51 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 120 G 9.18 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 0.00 121 T 8.62 4.62 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 0.00 122 Q 8.72 4.48 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 123 V 8.97 4.61 2.27 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 0.80 0.00 0.00 0.43 0.00 0.00 124 T 9.04 4.92 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 1.22 0.00 0.00 125 V 8.73 4.79 2.19 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 1.01 0.00 0.00 0.99 0.00 0.00 126 S 8.87 4.31 0.00 3.93 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 0.00 127 S 8.50 4.29 0.00 3.89 3.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.