NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3893 8.1927 115.2899 58.3320 64.9266 175.2923 5 D 4.1841 8.0283 118.9442 56.7919 41.3298 175.2074 6 L 4.3238 7.7556 118.2968 55.2437 42.7751 174.9597 7 V 4.0811 8.8199 127.1662 63.9354 29.3238 172.3057 8 T 4.1520 7.8543 108.8289 64.1172 69.2841 175.7738 9 K 4.0368 8.4880 123.5558 59.2036 32.6720 178.1313 10 F 4.1735 8.5884 120.7959 61.4157 39.1373 176.6252 11 E 3.7891 9.3329 118.6129 57.8955 29.5608 177.8954 12 S 4.4849 7.6130 113.2669 58.4652 63.4445 173.7529 13 L 4.5931 7.5452 123.5781 53.8898 43.4380 176.4275 14 I 4.2121 7.9261 121.0014 58.6704 38.4510 175.8029 *18 Y 3.6740 8.1301 118.0899 55.9953 37.7552 174.7639 19 P 4.4541 0.0000 0.0000 61.7964 32.0186 178.0785 20 V 3.7519 8.2476 113.4210 63.7334 31.7013 177.4393 21 S 4.4849 8.0212 112.5817 58.2027 63.4587 174.0862 22 F 4.2218 8.2329 125.2030 59.0059 39.5618 175.4019 23 T 4.4030 7.8652 118.2230 60.4611 71.5538 175.8149 24 K 3.9519 8.5882 123.1119 60.3474 32.0179 180.0465 25 E 3.9390 7.9920 117.8843 61.1696 29.7223 180.9268 26 Q 3.9515 7.7801 119.3952 58.6032 28.5978 178.9493 27 S 4.2731 8.0760 114.0904 61.5659 62.4768 176.1295 28 A 4.0318 8.3413 123.7517 55.2982 18.0800 179.6823 29 Q 4.0736 8.3212 116.4211 58.7801 28.7564 178.5411 30 A 4.2106 8.3769 121.7856 55.3108 18.4194 179.3605 31 A 3.9974 8.0722 119.1844 55.5891 18.4189 179.8712 32 Q 3.8100 8.1895 116.3341 58.9743 28.6917 179.2114 33 W 4.1341 8.2110 119.9481 59.6138 28.9987 178.2477 34 E 4.0268 8.6277 119.5373 59.2953 29.0702 178.8564 35 S 4.0855 8.4215 113.5415 61.4782 62.3782 176.5987 36 V 3.6975 7.8273 116.4871 63.5984 31.1907 178.5257 37 L 4.1016 8.4362 121.4442 58.5859 41.3585 180.4025 38 K 4.0773 8.2394 122.6074 59.2764 31.4457 180.1173 39 S 4.7862 8.2028 112.5471 57.5226 63.1937 174.8542 40 G 3.8076 7.8006 110.2241 47.2819 0.0000 174.0853 41 Q 4.7091 8.1243 116.6739 55.4263 29.5085 178.5165 42 I 4.0966 7.9062 122.0222 64.5280 37.8323 178.5183 43 Q 3.9471 7.8886 119.3249 58.6373 28.8684 176.1503 44 P 4.4890 0.0000 0.0000 64.6208 31.5739 176.6313 45 H 4.7929 8.2021 116.2944 55.7934 29.0583 176.3536 46 L 4.0596 7.8665 123.0466 58.0475 41.4806 178.9191 47 D 4.5002 8.2883 118.2405 57.5812 40.7925 178.6005 48 Q 4.0301 8.1674 119.4463 59.0506 29.1827 177.7912 49 L 3.9145 8.3774 121.4833 58.1631 42.0182 178.3998 50 N 4.3258 8.8318 117.2975 56.7344 38.6793 176.6034 51 L 3.9780 7.8896 120.6869 57.9569 42.3454 178.6653 52 V 3.7302 8.2621 118.7249 66.1193 31.3092 177.9367 53 L 4.3587 7.6521 117.8957 56.1088 41.4862 178.9174 54 R 3.6977 7.4461 118.4998 58.9046 30.1276 176.7559 55 D 4.7694 7.4509 114.4448 53.9658 41.8130 176.0206 56 N 4.9222 7.4401 117.0946 51.4496 42.3261 175.1435 57 T 3.5002 8.6683 120.1154 65.9041 68.8736 174.1904 58 F 5.1763 7.3855 117.3850 55.1542 42.9552 175.7656 59 I 3.4144 9.1819 124.0338 64.1188 36.8249 177.9010 60 V 4.3297 7.6910 116.8893 62.5589 31.7005 174.8486 61 S 3.8388 7.9521 111.3150 59.5516 60.0053 170.8917 62 T 4.6976 7.9234 108.4906 60.1191 70.8805 174.4338 63 L 4.2814 8.4235 120.7860 56.2201 42.1871 176.7203 64 Y 4.5328 7.5456 114.8033 54.7008 41.8300 173.2439 65 P 3.8466 0.0000 0.0000 62.9796 32.0960 176.1137 66 T 4.5676 8.6519 111.1177 59.6179 72.6940 175.4914 67 S 4.0691 8.4080 115.3554 61.6243 62.6707 176.6451 68 T 3.9396 7.9059 119.1594 66.6770 68.2199 175.7463 69 D 4.7634 7.7079 120.2904 57.7349 41.0303 179.3043 70 V 3.6681 7.6955 117.9762 66.3436 31.1744 177.8378 71 H 4.3846 8.6985 116.4428 58.8563 28.5528 178.0628 72 V 3.7647 8.1226 120.0962 65.9963 31.3466 177.4980 73 F 4.2681 8.8410 120.6568 61.8751 38.8394 177.0431 74 E 3.6535 8.0871 116.4304 58.9070 29.0015 178.9989 75 V 3.8575 7.3103 118.0415 65.3473 31.9533 177.9809 76 A 4.0342 8.4439 120.9498 54.6625 18.1090 179.4021 77 L 3.7058 7.8052 119.5065 57.8338 42.1386 177.5953 78 P 4.1668 0.0000 0.0000 65.3523 31.1732 178.1323 79 L 3.8679 7.5107 119.7643 58.1276 42.0129 179.0084 80 I 3.5441 8.0439 120.0916 64.2868 37.0605 178.2859 81 K 3.8324 8.1391 119.5154 59.8237 31.8614 178.7592 82 D 4.3245 8.2184 117.9866 57.2804 40.9447 178.2277 83 L 4.0869 7.9279 120.1212 57.1695 41.9048 179.3120 84 V 3.8308 8.0912 118.0400 66.0427 31.2825 177.7972 85 A 4.0488 7.8640 119.3500 54.9938 18.1335 178.9421 86 S 4.4352 8.2012 110.4016 57.9107 63.7360 174.1745 87 S 4.3711 7.3678 118.2916 58.3494 62.7024 174.3100 88 K 4.1346 8.5992 126.0623 58.7374 32.3683 177.4930 89 D 4.4995 8.0359 118.2030 51.8842 44.0972 175.6816 90 V 3.6282 8.4486 127.2207 65.8989 31.7082 177.4066 91 K 3.7569 8.0245 118.9195 59.8919 31.9556 178.4997 92 S 4.1447 8.4173 115.0913 61.9944 62.5361 177.0056 93 T 3.9702 7.7760 118.1590 66.8872 68.0351 176.3522 94 Y 4.0752 8.4271 117.8165 61.5984 37.9903 178.7268 95 T 4.0603 8.0631 115.5695 66.8597 68.5939 176.7020 96 T 3.9147 7.6808 116.7857 65.2371 69.1434 174.2518 97 Y 4.9886 7.5177 118.8386 56.8057 39.2891 177.8105 98 R 3.9594 8.1289 120.9287 59.8803 30.4574 178.1902 99 H 4.4097 7.8504 115.2499 58.5406 28.8557 177.5234 100 I 3.8688 7.8839 121.2338 64.6465 36.9044 178.2039 101 L 3.9147 8.1482 119.6047 57.6296 41.4537 179.3630 102 R 3.9253 8.1049 118.6994 59.4561 30.0356 178.4331 103 W 4.1946 8.3334 127.9108 60.3894 30.6495 177.9165 104 I 3.5729 8.7530 120.5813 64.4240 36.2290 177.7221 105 D 4.2979 8.4285 119.0462 57.4764 41.0107 177.7657 106 Y 3.8669 7.7865 119.6398 61.0954 38.8194 177.9503 107 M 3.6955 8.1610 120.2126 58.0548 31.7982 178.8167 108 Q 3.9355 7.7539 117.7776 58.9006 28.8455 178.4671 109 N 4.1758 7.5908 118.3925 55.9383 38.4131 176.8039 110 L 3.6697 7.1962 120.8209 58.0801 42.0325 177.7386 111 L 4.2451 7.9051 115.0949 53.7994 42.1173 176.5705 112 E 3.6932 7.4855 117.0298 57.3940 27.1683 175.0879 113 V 3.8608 7.8350 117.3785 61.9266 33.0484 175.5027 114 S 4.0649 8.6530 119.9496 58.3219 62.5991 173.6815 115 S 4.2177 8.5844 121.4683 60.7118 62.7027 173.0304 116 T 3.6289 8.9150 118.9388 62.0293 65.6893 171.7480 117 D 4.6436 7.7643 118.5901 54.7756 42.2575 176.6911 118 K 4.0107 7.9301 119.8263 56.5793 32.6282 175.0834 119 L 4.4631 8.2877 124.5908 55.2438 43.9480 176.7343 120 E 3.8727 7.9577 121.8475 55.5852 31.6669 175.8322 121 I 3.9196 8.2127 127.3003 62.9709 38.0352 173.9440 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 4 S 8.19 4.39 0.00 3.87 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 0.00 5 D 8.03 4.18 0.00 2.80 2.66 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 6 L 7.76 4.32 0.00 1.67 1.60 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.82 4.08 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 nan 0.00 0.00 0.92 0.00 0.00 8 T 7.85 4.15 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 1.32 0.00 0.00 9 K 8.49 4.04 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.55 7.81 10 F 8.59 4.17 0.00 3.10 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 11 E 9.33 3.79 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.24 0.00 12 S 7.61 4.48 0.00 3.98 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 13 L 7.55 4.59 0.00 1.57 1.49 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.93 4.21 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 1.27 0.74 0.91 0.00 0.00 *18 Y 8.13 3.67 0.00 2.35 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 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.27 2.04 0.00 2.82 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 20 V 8.25 3.75 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 0.74 0.00 0.00 0.97 0.00 0.00 21 S 8.02 4.48 0.00 4.03 4.03 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 0.00 0.00 0.00 22 F 8.23 4.22 0.00 3.22 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 23 T 7.87 4.40 4.18 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 1.17 0.00 0.00 24 K 8.59 3.95 0.00 1.80 1.90 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 25 E 7.99 3.94 0.00 1.97 1.96 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 2.31 1.97 0.00 26 Q 7.78 3.95 0.00 1.36 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 27 S 8.08 4.27 0.00 4.07 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 28 A 8.34 4.03 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 29 Q 8.32 4.07 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 30 A 8.38 4.21 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 0.00 0.00 0.00 0.00 0.00 31 A 8.07 4.00 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.19 3.81 0.00 2.12 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 33 W 8.21 4.13 0.00 3.60 3.26 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 34 E 8.63 4.03 0.00 2.23 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 0.00 2.35 2.37 0.00 35 S 8.42 4.09 0.00 3.98 3.92 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 36 V 7.83 3.70 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 0.55 0.00 0.00 1.17 0.00 0.00 37 L 8.44 4.10 0.00 1.96 1.77 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.24 4.08 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 S 8.20 4.79 0.00 4.07 4.16 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 40 G 7.80 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 41 Q 8.12 4.71 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 I 7.91 4.10 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.98 0.00 0.00 43 Q 7.89 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 44 P 0.00 4.49 0.00 2.17 2.16 0.00 3.90 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 2.15 2.01 0.00 45 H 8.20 4.79 0.00 3.68 3.64 0.00 5.82 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 46 L 7.87 4.06 0.00 1.89 1.76 0.72 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.29 4.50 0.00 2.75 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 48 Q 8.17 4.03 0.00 2.19 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 L 8.38 3.91 0.00 1.74 1.81 -0.12 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.83 4.33 0.00 3.02 3.08 0.00 0.00 6.90 6.58 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 51 L 7.89 3.98 0.00 1.69 1.87 0.91 0.87 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 52 V 8.26 3.73 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 0.95 0.00 0.00 1.13 0.00 0.00 53 L 7.65 4.36 0.00 1.57 1.60 0.11 0.13 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 54 R 7.45 3.70 0.00 1.55 1.99 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.28 0.00 55 D 7.45 4.77 0.00 2.59 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 56 N 7.44 4.92 0.00 2.79 2.73 0.00 0.00 7.09 7.05 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 57 T 8.67 3.50 3.75 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 0.10 0.00 0.00 58 F 7.39 5.18 0.00 3.13 3.20 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 0.00 0.00 0.00 59 I 9.18 3.41 1.72 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.45 0.17 0.00 0.00 60 V 7.69 4.33 2.26 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 1.02 0.00 0.00 1.13 0.00 0.00 61 S 7.95 3.84 0.00 4.09 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 62 T 7.92 4.70 4.43 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 1.56 0.00 0.00 63 L 8.42 4.28 0.00 1.75 1.53 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.55 4.53 0.00 2.87 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 65 P 0.00 3.85 0.00 1.97 1.53 0.00 3.63 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 66 T 8.65 4.57 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 1.31 0.00 0.00 67 S 8.41 4.07 0.00 3.87 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 68 T 7.91 3.94 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 69 D 7.71 4.76 0.00 3.06 3.01 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 0.00 0.00 0.00 70 V 7.70 3.67 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 1.09 0.00 0.00 0.89 0.00 0.00 71 H 8.70 4.38 0.00 3.26 3.38 0.00 5.67 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 72 V 8.12 3.76 2.26 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 0.82 0.00 0.00 0.92 0.00 0.00 73 F 8.84 4.27 0.00 2.77 3.26 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 74 E 8.09 3.65 0.00 2.22 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 0.00 2.36 2.61 0.00 75 V 7.31 3.86 2.25 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 1.05 0.00 0.00 1.01 0.00 0.00 76 A 8.44 4.03 1.55 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 77 L 7.81 3.71 0.00 0.87 1.07 0.93 0.81 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 78 P 0.00 4.17 0.00 2.24 2.21 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 79 L 7.51 3.87 0.00 1.89 1.84 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.04 3.54 1.87 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.83 0.00 0.00 81 K 8.14 3.83 0.00 2.00 1.87 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 82 D 8.22 4.32 0.00 2.91 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 83 L 7.93 4.09 0.00 1.76 1.80 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.09 3.83 2.31 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 1.23 0.00 0.00 1.10 0.00 0.00 85 A 7.86 4.05 1.42 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 0.00 0.00 0.00 86 S 8.20 4.44 0.00 4.08 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 87 S 7.37 4.37 0.00 4.09 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 88 K 8.60 4.13 0.00 1.81 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.38 7.81 89 D 8.04 4.50 0.00 2.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.63 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 0.90 0.00 0.00 0.95 0.00 0.00 91 K 8.02 3.76 0.00 1.79 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 92 S 8.42 4.14 0.00 4.08 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 93 T 7.78 3.97 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 94 Y 8.43 4.08 0.00 3.03 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 95 T 8.06 4.06 4.39 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 0.00 0.00 0.00 1.20 0.00 0.00 96 T 7.68 3.91 3.84 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 0.56 0.00 0.00 97 Y 7.52 4.99 0.00 3.00 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 98 R 8.13 3.96 0.00 1.45 1.84 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.71 0.00 99 H 7.85 4.41 0.00 3.33 3.38 0.00 5.64 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 0.00 100 I 7.88 3.87 2.09 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 1.60 0.96 1.13 0.00 0.00 101 L 8.15 3.91 0.00 1.84 1.62 0.28 0.46 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 0.00 102 R 8.10 3.93 0.00 1.95 2.24 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 103 W 8.33 4.19 0.00 3.37 3.41 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 0.00 0.00 0.00 0.00 104 I 8.75 3.57 2.17 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 1.63 0.86 1.01 0.00 0.00 105 D 8.43 4.30 0.00 2.95 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 0.00 106 Y 7.79 3.87 0.00 3.16 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 0.00 107 M 8.16 3.70 0.00 0.51 0.63 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.01 0.00 108 Q 7.75 3.94 0.00 2.41 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.38 0.00 109 N 7.59 4.18 0.00 2.76 2.71 0.00 0.00 6.48 6.40 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 0.00 110 L 7.20 3.67 0.00 1.15 1.59 0.85 0.91 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 0.00 111 L 7.91 4.25 0.00 1.63 1.66 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.49 3.69 0.00 2.07 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 2.21 2.41 0.00 113 V 7.84 3.86 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 1.10 0.00 0.00 114 S 8.65 4.06 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 0.00 115 S 8.58 4.22 0.00 4.01 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 0.00 116 T 8.91 3.63 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 1.21 0.00 0.00 117 D 7.76 4.64 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 0.00 118 K 7.93 4.01 0.00 1.92 1.75 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.59 7.81 119 L 8.29 4.46 0.00 1.65 1.55 0.98 0.91 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 0.00 120 E 7.96 3.87 0.00 2.21 2.23 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 2.36 2.39 0.00 121 I 8.21 3.92 1.92 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 1.30 0.40 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.