NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3362 8.1233 123.5836 52.1597 20.4027 178.3535 2 D 4.4710 8.1296 121.1216 56.7172 41.0747 176.3749 3 L 4.2564 7.9907 121.0390 58.1166 42.2161 179.0800 4 E 3.9735 8.0663 117.4591 60.6877 29.6078 180.3533 5 D 4.5625 7.8214 116.1088 57.5422 41.1678 177.5227 6 N 4.4545 8.0164 118.8312 55.9525 38.8743 176.3345 7 W 4.3757 8.2156 119.7873 60.1445 29.0176 178.1280 8 E 4.1859 8.1354 117.5885 59.4802 28.8269 179.1956 9 T 3.8825 8.5106 116.2469 66.6449 68.4930 176.4707 10 L 3.8909 8.7884 121.9193 58.0402 41.2482 179.1594 11 N 4.2238 8.5812 117.1777 56.6807 38.8628 176.3813 12 D 4.4257 9.4652 118.6306 56.5082 41.4230 177.9611 13 N 4.4543 8.4035 117.6271 56.8412 38.2514 177.2010 14 L 3.9927 7.6244 120.0989 57.6065 41.5914 179.7478 15 K 3.9519 7.7688 119.4309 59.4330 32.0446 179.0784 16 V 3.6758 7.6248 118.1605 66.4441 30.4828 177.0240 17 I 3.9291 7.5241 119.8933 63.2038 36.6345 177.5321 18 E 4.6799 8.0396 122.4597 59.2164 29.7381 178.4658 19 K 4.3859 7.7916 114.8773 55.8752 33.0896 177.0529 20 A 4.0580 9.3948 123.5930 53.9882 18.2804 180.2189 21 D 4.6013 8.4674 110.6195 55.0297 40.8904 173.1106 22 N 5.0197 8.0616 114.6484 50.7004 42.8808 175.3263 23 A 4.0529 8.7132 122.7076 54.9020 18.1980 180.2303 24 A 3.8934 7.8822 119.1973 55.6365 18.6366 179.7134 25 Q 4.0280 7.9984 115.3815 58.2035 28.8089 179.0213 26 V 3.5429 7.3240 119.2044 65.8077 31.3614 177.8647 27 K 3.8519 7.7478 117.8499 59.8374 31.7541 178.7414 28 D 4.3990 7.6166 117.3976 57.7946 41.1590 178.7739 29 A 4.0818 8.2605 121.4569 55.2151 18.4933 179.7390 30 L 4.0083 8.6662 117.1053 57.7629 41.4930 180.0240 31 T 3.8860 8.9647 117.1802 66.6083 68.3250 176.6823 32 K 4.0463 8.0066 119.8654 60.0391 31.9688 178.3662 33 M 4.1397 8.0055 119.4248 57.2167 31.7791 177.9019 34 R 3.3626 8.4972 119.8641 59.9833 30.2588 178.6241 35 A 3.9770 7.7251 120.4190 54.9958 18.3245 179.4471 36 A 3.9289 8.6783 118.7841 54.7523 18.2416 179.7089 37 A 4.0720 8.5065 119.9745 55.5149 18.5890 179.7039 38 L 4.0640 7.5609 115.5354 57.3360 41.7283 178.9972 39 D 4.4175 7.7155 118.2881 56.9812 41.2244 177.9297 40 A 4.0463 8.6389 120.0235 53.6925 18.4771 178.6063 41 Q 3.1053 7.3855 119.0056 58.7662 28.8613 179.8902 42 K 4.4770 7.6774 116.4393 56.4054 31.9288 177.0405 43 A 4.3893 7.8712 122.7068 52.6619 19.1396 179.5691 44 T 4.7422 8.4055 117.1091 59.4719 67.5529 173.7329 45 P 4.2594 0.0000 0.0000 64.6743 31.5546 175.7882 46 P 4.3780 0.0000 0.0000 62.1540 32.0136 172.3692 47 K 3.8633 8.2772 124.5746 56.3484 29.9791 176.4369 48 L 4.1796 8.1189 122.4678 55.3508 41.5299 177.3348 49 E 4.5137 7.8365 118.6885 55.8243 29.5961 175.5396 50 D 4.8439 7.3138 116.1321 52.1188 42.2223 174.9980 51 K 4.1053 7.3171 119.9598 56.9987 36.0087 175.3771 52 S 4.2456 8.8201 115.7731 57.3319 62.3174 172.3986 53 P 4.4311 0.0000 0.0000 62.8795 32.9332 177.2107 54 D 4.4200 7.8901 118.5444 55.0240 38.9477 173.5357 55 S 4.6225 8.6581 122.5752 59.7395 67.8515 175.2201 56 P 4.4131 0.0000 0.0000 63.4992 30.3168 175.8869 57 E 3.8888 9.0710 110.1928 57.3854 27.3809 176.9348 58 M 3.2479 8.1681 115.2883 55.9391 30.8942 178.5435 59 K 3.9401 8.8577 121.3605 59.9587 31.9447 177.7695 60 D 4.4124 8.1534 116.2600 56.7325 41.2413 177.7656 61 F 4.2488 9.4853 122.7506 61.4160 38.8422 177.4527 62 R 4.2711 8.2936 115.3801 59.5943 28.5041 177.8737 63 H 4.7721 8.8573 119.5668 59.2107 29.9296 177.4849 64 G 4.1205 7.9110 107.5725 47.4725 0.0000 175.6660 65 F 4.1719 7.8244 119.4391 60.0176 39.0101 177.4596 66 D 4.3306 9.3830 117.0722 57.4422 41.4273 177.8212 67 I 3.7271 9.0201 120.5040 64.3005 37.0651 177.9901 68 L 3.8636 7.7038 120.6592 58.2423 41.9978 179.1273 69 V 3.8380 7.8587 117.4349 65.0034 31.4361 178.1173 70 G 3.5775 8.3753 106.4234 48.1074 0.0000 175.9144 71 Q 4.0471 7.8974 119.8985 58.9819 28.9285 178.3188 72 I 3.7552 7.8297 121.7027 63.6714 36.6263 177.9439 73 D 4.2648 7.9670 119.1958 57.6327 41.0061 178.1443 74 D 4.3583 7.9967 118.6085 57.1708 40.7062 178.7104 75 A 3.9904 7.9881 121.4387 54.8595 18.2051 179.2413 76 L 3.8742 8.1513 118.4988 58.0570 42.0284 179.0880 77 K 4.0793 7.4166 118.5206 59.5284 32.4773 178.5108 78 L 4.0872 7.6080 119.0352 57.5510 41.2890 179.5349 79 A 3.8531 8.1432 123.3037 55.6216 18.2364 177.8738 *80 N 4.4878 7.9807 116.9111 52.7345 39.6159 176.7286 *81 E 4.2854 8.3859 114.8005 55.9902 31.5748 175.5159 82 G 4.0411 8.2977 108.9484 45.6967 0.0000 176.3658 83 K 4.3507 8.2208 122.1761 55.1012 30.4226 177.1879 84 V 3.6307 7.8111 122.4470 65.3648 32.0464 176.9380 85 K 3.8717 8.0759 117.5306 59.8772 31.9705 179.0274 86 E 3.9475 8.1101 117.7865 59.2378 29.4302 179.1011 87 A 3.9481 7.9808 120.7862 55.0702 18.2675 179.2366 88 Q 3.8508 9.3395 116.5484 59.4848 29.5687 178.0955 89 A 4.5817 8.5846 123.0582 54.6832 18.3062 179.4239 90 A 3.9263 8.1885 118.8667 55.0428 18.4025 179.3504 91 A 3.8644 8.1930 119.7900 55.8481 18.2578 179.8208 92 E 4.1683 8.0972 116.0203 59.3131 29.1892 179.4355 93 Q 3.9539 8.6378 120.4086 58.8869 29.3890 177.7261 94 L 4.0805 7.6974 119.6421 57.6577 41.2288 179.2203 95 K 3.8504 8.5331 118.8207 60.0217 31.9892 179.4719 96 T 3.9883 7.7187 115.3729 66.6121 68.2602 176.9753 97 T 3.8409 7.9068 118.0224 66.6601 68.2191 176.3369 98 I 3.5061 7.0694 119.5495 64.4299 37.3560 178.1503 99 R 4.0348 7.7970 118.4858 59.5316 29.9589 178.3964 100 A 4.0857 8.0555 120.1537 54.8966 18.0947 178.8927 101 Y 3.8413 8.5777 118.9521 60.5679 38.6702 177.2438 102 N 4.0779 8.2905 118.2514 56.5632 38.7993 176.6254 103 Q 3.9897 7.5445 120.3027 58.4924 29.4580 177.8745 104 K 4.0445 7.5849 120.4671 59.2071 32.2108 177.5396 105 Y 4.5805 8.3042 116.1217 57.6565 39.0437 175.8598 106 G 4.1626 7.8002 114.0839 46.2430 0.0000 173.5990 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 A 8.12 4.34 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 2 D 8.13 4.47 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.99 4.26 0.00 1.72 1.79 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.07 3.97 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 1.93 0.00 5 D 7.82 4.56 0.00 2.83 2.79 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 6 N 8.02 4.45 0.00 2.94 3.15 0.00 0.00 6.98 7.62 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 7 W 8.22 4.38 0.00 3.48 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 8 E 8.14 4.19 0.00 2.13 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 0.00 2.33 2.39 0.00 9 T 8.51 3.88 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 1.20 0.00 0.00 10 L 8.79 3.89 0.00 1.29 1.52 0.59 0.50 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 11 N 8.58 4.22 0.00 2.80 2.93 0.00 0.00 6.81 8.40 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 12 D 9.47 4.43 0.00 2.72 2.75 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 0.00 13 N 8.40 4.45 0.00 2.91 2.80 0.00 0.00 6.80 6.52 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 14 L 7.62 3.99 0.00 1.73 1.69 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.77 3.95 0.00 1.81 1.78 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 16 V 7.62 3.68 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 0.92 0.00 0.00 0.97 0.00 0.00 17 I 7.52 3.93 1.97 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 1.50 0.91 0.89 0.00 0.00 18 E 8.04 4.68 0.00 1.94 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 0.00 2.31 2.56 0.00 19 K 7.79 4.39 0.00 1.95 1.82 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 20 A 9.39 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.60 0.00 2.97 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 22 N 8.06 5.02 0.00 2.76 2.62 0.00 0.00 6.94 6.97 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 23 A 8.71 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.88 3.89 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 25 Q 8.00 4.03 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 26 V 7.32 3.54 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 0.90 0.00 0.00 1.00 0.00 0.00 27 K 7.75 3.85 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 28 D 7.62 4.40 0.00 2.74 2.75 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 0.00 29 A 8.26 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.67 4.01 0.00 1.63 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.96 3.89 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 1.20 0.00 0.00 32 K 8.01 4.05 0.00 2.11 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 33 M 8.01 4.14 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 34 R 8.50 3.36 0.00 1.98 1.95 0.00 3.08 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 35 A 7.73 3.98 1.36 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 0.00 0.00 0.00 36 A 8.68 3.93 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 37 A 8.51 4.07 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 38 L 7.56 4.06 0.00 1.75 1.75 0.95 1.49 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 39 D 7.72 4.42 0.00 2.72 2.76 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 40 A 8.64 4.05 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 41 Q 7.39 3.11 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.16 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 42 K 7.68 4.48 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.50 7.81 43 A 7.87 4.39 1.48 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 0.00 0.00 44 T 8.41 4.74 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 1.25 0.00 0.00 45 P 0.00 4.26 0.00 2.20 2.18 0.00 4.33 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.21 0.00 46 P 0.00 4.38 0.00 2.12 2.17 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 47 K 8.28 3.86 0.00 1.98 2.01 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.39 7.81 48 L 8.12 4.18 0.00 1.44 1.39 0.47 -0.11 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 E 7.84 4.51 0.00 1.87 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 2.19 2.24 0.00 50 D 7.31 4.84 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.32 4.11 0.00 1.79 1.53 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.58 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 1.23 7.81 52 S 8.82 4.25 0.00 3.83 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 53 P 0.00 4.43 0.00 2.18 2.10 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 54 D 7.89 4.42 0.00 2.88 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 0.00 0.00 0.00 55 S 8.66 4.62 0.00 3.91 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 56 P 0.00 4.41 0.00 2.31 2.12 0.00 3.77 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 2.15 2.14 0.00 57 E 9.07 3.89 0.00 2.04 1.99 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 2.24 2.37 0.00 58 M 8.17 3.25 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 59 K 8.86 3.94 0.00 1.70 1.92 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.62 7.81 60 D 8.15 4.41 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 9.49 4.25 0.00 3.11 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 62 R 8.29 4.27 0.00 2.18 2.34 0.00 3.45 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 63 H 8.86 4.77 0.00 3.49 3.39 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.91 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 65 F 7.82 4.17 0.00 3.29 3.09 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 66 D 9.38 4.33 0.00 2.85 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 67 I 9.02 3.73 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 0.83 0.00 0.00 68 L 7.70 3.86 0.00 1.75 1.78 0.85 0.63 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 69 V 7.86 3.84 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 0.95 0.00 0.00 1.04 0.00 0.00 70 G 8.38 3.58 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 0.00 71 Q 7.90 4.05 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 72 I 7.83 3.76 1.94 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 1.36 0.53 0.89 0.00 0.00 73 D 7.97 4.26 0.00 2.77 2.79 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 74 D 8.00 4.36 0.00 2.83 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 75 A 7.99 3.99 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 76 L 8.15 3.87 0.00 1.86 1.72 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.42 4.08 0.00 1.77 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.27 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 78 L 7.61 4.09 0.00 1.87 1.85 0.99 1.00 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 79 A 8.14 3.85 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 *80 N 7.98 4.49 0.00 2.50 2.64 0.00 0.00 6.49 7.65 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 *81 E 8.39 4.29 0.00 1.73 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 2.13 2.38 0.00 82 G 8.30 4.04 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 0.00 0.00 0.00 83 K 8.22 4.35 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.56 7.81 84 V 7.81 3.63 2.07 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 1.02 0.00 0.00 0.94 0.00 0.00 85 K 8.08 3.87 0.00 1.87 1.87 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.62 7.81 86 E 8.11 3.95 0.00 2.14 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 2.39 2.37 0.00 87 A 7.98 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.34 3.85 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 89 A 8.58 4.58 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 90 A 8.19 3.93 1.39 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 0.00 0.00 0.00 91 A 8.19 3.86 1.34 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 92 E 8.10 4.17 0.00 2.26 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 2.32 2.35 0.00 93 Q 8.64 3.95 0.00 1.92 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 94 L 7.70 4.08 0.00 1.90 1.63 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.53 3.85 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.62 7.81 96 T 7.72 3.99 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 1.20 0.00 0.00 97 T 7.91 3.84 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 1.11 0.00 0.00 98 I 7.07 3.51 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.73 0.00 0.00 99 R 7.80 4.03 0.00 1.92 2.00 0.00 3.26 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 100 A 8.06 4.09 1.34 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 0.00 101 Y 8.58 3.84 0.00 2.83 2.96 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 0.00 0.00 0.00 102 N 8.29 4.08 0.00 3.02 3.10 0.00 0.00 7.02 6.96 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 0.00 103 Q 7.54 3.99 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 104 K 7.58 4.04 0.00 1.57 1.48 0.00 1.14 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.59 1.20 7.81 105 Y 8.30 4.58 0.00 2.69 3.18 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 0.00 106 G 7.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.