NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4542 8.3193 116.7983 58.4259 64.2693 172.9193 -1 N 3.7175 8.1866 120.7838 51.9146 37.0116 173.1273 0 A 4.5031 8.1491 126.3098 49.1289 20.0745 177.0613 1 I 3.6753 7.6212 114.5575 62.4540 37.7642 177.6607 2 E 3.7244 7.8007 121.6439 59.2988 29.3860 178.2641 3 E 3.9442 7.6411 117.6734 59.1372 29.5026 179.1874 4 V 3.5365 7.5891 117.8130 66.2881 31.5126 177.3388 5 Y 4.4053 7.7956 116.5441 61.4870 37.7544 178.7957 6 E 4.0072 8.1407 119.2419 59.0567 29.4815 178.9814 7 A 4.1306 8.3199 121.3222 55.7744 18.3542 179.9222 8 T 3.7729 8.1026 114.0667 66.6444 68.6211 176.9493 9 L 3.8482 8.0749 121.0006 57.7951 41.5993 179.2245 10 D 4.3183 8.5313 118.8545 57.4358 40.8066 178.8111 11 A 3.9410 8.1711 121.3625 55.2593 18.3959 179.4776 12 I 3.5685 8.3000 118.8013 64.8550 37.0508 178.4787 13 Q 4.2287 8.0776 117.9279 58.1597 28.3962 178.5222 14 G 3.6014 7.9359 106.4368 47.4625 0.0000 175.0689 15 A 4.2050 8.1706 123.9240 53.9333 18.5329 178.1528 16 L 4.5967 7.7696 112.3174 53.8938 44.0649 176.6750 17 N 4.1482 7.6403 113.6370 54.4044 35.8979 171.7341 18 C 4.8996 7.3295 113.7677 56.2201 33.5581 174.4189 19 D 4.6885 8.0982 119.0288 56.2846 41.2598 177.0945 20 R 4.8660 7.6078 112.5147 54.9855 33.5824 173.7522 21 A 5.5480 9.3100 120.1861 50.9981 23.0913 175.4070 22 S 5.2336 9.7656 113.9758 56.9482 67.4748 172.7859 23 I 5.0712 8.7782 121.0690 59.6500 40.2070 174.7969 24 L 5.2486 8.9383 125.4312 53.0025 45.9419 175.5144 25 L 5.0694 8.5731 120.0898 52.7430 46.3599 176.0962 26 F 4.9137 8.3827 120.2974 57.8075 39.8358 175.2798 27 D 4.8547 8.8309 122.4790 51.7190 41.3195 176.9877 28 E 3.9942 8.6624 117.3806 58.5243 29.3330 177.8531 29 A 4.2149 8.1435 120.2383 51.9815 19.2363 177.8507 30 G 3.7166 8.3404 104.2355 45.5961 0.0000 173.2039 31 T 4.8168 8.3777 110.1064 59.6328 71.2720 173.4539 32 M 4.5809 8.7143 125.0386 55.3084 32.9033 175.8821 33 R 4.7857 8.7394 121.7653 53.9868 34.5152 174.8464 34 F 4.5935 9.0395 122.3973 58.0839 38.9921 175.7315 35 V 4.3481 8.5496 116.4184 61.1461 32.8565 175.8818 36 A 4.5551 7.6938 119.1209 51.2213 22.0896 175.1648 37 A 5.1160 8.2870 122.1445 50.9515 23.0370 175.3257 38 R 4.1048 8.3105 115.2399 55.8762 34.3185 174.0920 39 G 4.2137 8.7949 114.1578 44.7963 0.0000 172.3996 40 L 4.4563 7.7369 125.5425 53.5052 43.5141 177.7104 41 S 4.4424 8.6908 117.4692 57.7970 65.3789 175.4669 42 E 3.8949 8.5228 121.6820 59.6878 29.2664 178.9494 43 H 4.0400 8.2293 117.8870 59.4654 29.9299 176.5382 44 Y 4.0783 8.1115 121.1913 60.8904 38.4423 177.9188 45 Q 3.6677 7.8189 117.8089 59.0813 29.0942 178.2936 46 R 3.9187 8.3475 118.9158 58.9944 29.8289 179.0082 47 A 3.8694 7.5349 120.8924 55.0635 19.0039 179.2405 48 V 3.8944 7.4683 114.9333 63.5659 31.7006 177.0401 49 D 4.5522 7.9231 117.2970 57.9769 41.0738 177.8713 50 G 3.6386 8.0629 105.8832 47.9276 0.0000 173.7569 51 H 4.6395 8.1561 115.3174 56.4002 28.7813 176.4627 52 S 3.9942 8.1374 116.1315 59.7773 63.1632 173.4581 53 P 3.9119 0.0000 0.0000 59.4335 37.9700 174.7924 54 W 4.3866 8.1583 114.7441 56.7815 27.6718 177.9459 *60 E 3.9866 9.2039 118.9395 56.6677 29.3932 173.7924 61 P 4.0074 0.0000 0.0000 59.8092 27.9677 174.4954 62 E 4.7455 7.8292 120.1767 53.4235 33.7683 173.8132 63 P 4.1275 0.0000 0.0000 63.0967 32.3968 175.9017 64 I 4.1226 7.3233 120.8313 59.4432 41.5189 174.4466 65 F 4.9138 8.3316 123.9803 55.6770 41.9915 174.7949 66 V 4.2308 9.1955 125.5020 61.7189 31.7012 176.1384 67 E 4.6475 8.9858 128.8172 58.3704 30.7865 176.6346 68 N 5.7342 8.0172 118.0904 53.1432 41.4912 175.5407 69 V 3.7598 9.0893 120.7069 64.9078 31.6407 177.1783 70 D 4.4801 8.0854 119.1244 57.6399 41.3081 178.5172 71 D 4.7160 7.6610 120.3787 53.4816 39.4405 177.1925 72 A 4.4766 7.3833 120.2684 50.9225 22.6681 177.6439 73 E 4.2133 8.2094 124.0786 54.8416 28.0166 175.3043 74 F 5.0833 7.5430 120.2142 54.8609 42.6216 175.6942 75 S 4.4259 8.6036 118.3602 58.7779 63.7877 176.3765 76 R 4.0486 8.5724 123.5186 62.0405 28.9557 178.5720 77 E 4.2719 8.3577 117.7311 58.5005 29.4888 178.3091 78 L 3.8240 8.7382 120.5206 58.6459 42.3756 179.8602 79 K 3.9514 8.3383 119.5119 59.4439 32.1386 178.7362 80 E 4.2314 8.2319 117.7330 59.2021 29.5724 179.2062 81 S 4.2464 7.8267 116.4930 61.6433 63.0527 176.7157 82 I 3.8064 7.6590 121.6619 64.6762 36.9531 179.0006 83 V 3.7786 8.3890 113.7669 64.3252 31.1107 178.7556 84 G 3.7102 8.7146 105.8070 47.9391 0.0000 174.9987 85 E 4.0891 7.9397 119.9236 57.1083 29.7097 177.3206 86 G 3.9136 8.1983 107.5053 45.4323 0.0000 172.0882 87 I 4.6229 7.3515 119.7342 59.5427 38.2964 175.7288 88 A 4.8094 9.4130 127.7280 52.0490 21.1032 175.5527 89 A 5.1183 7.8749 115.0759 51.3275 22.9017 175.2980 90 L 5.0402 9.6107 119.3525 53.3300 46.8686 175.2786 91 G 4.2626 9.0747 110.5610 43.4348 0.0000 171.6974 92 F 4.8089 8.5794 124.3525 55.5092 41.6362 174.8299 93 F 4.6530 8.7719 122.3140 54.6235 41.8407 172.9063 94 P 4.7538 0.0000 0.0000 62.6841 32.0787 175.9391 95 L 4.8989 8.9844 123.2149 53.1280 44.5459 175.7702 96 V 5.5979 8.0679 120.8860 61.1307 35.3924 174.4140 97 T 4.4505 7.9335 120.9617 62.8213 71.5121 174.0736 98 E 3.8831 9.5135 126.4641 57.6884 26.7784 175.1018 99 G 3.9437 8.3819 103.3014 46.1859 0.0000 174.1656 100 R 4.2191 7.8211 119.9039 54.6073 30.6435 175.9128 101 L 4.4726 8.6776 125.4929 55.6135 42.6852 176.3590 102 I 4.7179 9.9625 125.5300 59.7692 39.9712 175.8115 103 G 3.9187 7.0945 105.8294 46.0068 0.0000 170.6560 104 K 5.0920 7.8099 118.0242 55.7946 36.6185 174.8957 105 F 5.5989 9.3872 115.7583 55.4605 41.4787 174.0071 106 M 5.2578 9.8333 119.0216 53.7535 36.1813 174.5382 107 T 5.0901 8.6263 112.0462 60.1834 72.3451 172.5411 108 Y 5.1771 8.7579 120.4346 56.6014 42.3200 174.0852 109 Y 4.8566 9.0405 119.2380 56.5823 41.8544 176.2479 110 D 4.8225 8.9587 122.1942 56.1226 41.7792 177.0926 111 R 4.6213 7.8993 115.3768 53.8101 31.9429 174.8021 112 P 4.5061 0.0000 0.0000 63.6763 32.4341 175.2951 113 H 4.4556 8.9409 120.1890 54.9141 33.0558 172.6961 114 R 4.4565 7.7873 124.9267 54.3263 32.1330 175.3355 115 F 4.6141 8.3718 119.5504 55.6912 40.7205 176.5710 116 A 4.2984 8.2838 127.0166 51.5851 20.4482 178.0195 117 D 4.3700 8.5285 121.0029 57.4140 40.8245 179.4289 118 S 4.1706 8.0208 114.3987 61.4554 62.8696 176.3084 119 E 3.9870 8.1549 121.7513 59.2940 29.3336 178.9274 120 I 4.0267 7.9940 119.9528 64.6160 37.1002 178.7119 121 G 3.6161 8.5301 106.5928 48.0974 0.0000 175.4568 122 M 4.0414 8.2846 121.9108 58.0987 32.1850 178.6068 123 A 3.9735 8.9432 121.7268 55.3490 18.3507 179.7627 124 L 4.0649 8.2343 117.5677 58.1837 41.8477 179.7256 125 T 3.9361 8.2552 115.9856 66.7410 68.4668 176.5038 126 I 3.6773 8.2391 121.8463 64.5857 37.1471 178.3677 127 A 4.3028 8.2111 120.9389 54.7555 18.1878 179.7599 128 R 3.7506 8.0982 117.7676 59.7297 30.1941 178.5786 129 Q 4.2012 8.1311 119.1709 58.8807 28.9739 177.8428 130 L 4.0563 8.0707 121.5285 58.0346 42.1772 178.7479 131 G 3.8166 7.9834 105.8163 48.2762 0.0000 175.5629 132 F 4.4590 8.0459 120.6022 60.0118 38.8709 177.7263 133 S 4.2009 8.7722 115.2724 62.0184 62.7175 176.9538 134 I 3.7048 8.5139 122.3053 64.5001 36.6321 178.0556 135 Q 4.0167 8.5127 120.7232 59.5938 28.7687 178.8303 136 R 4.1410 8.4189 118.6514 58.8091 29.8335 178.8456 137 M 4.1349 8.4705 119.0737 58.2849 32.0674 178.4151 138 R 3.7299 7.9027 118.6315 59.3324 30.0711 175.9514 *139 A 4.3763 7.3212 121.8220 51.8619 19.9886 176.3148 140 E 4.2863 8.0000 115.6006 57.7244 29.7162 177.8513 141 Y 4.0531 7.6919 119.6634 60.2072 39.0654 176.4622 142 A 4.2529 8.3398 123.8871 55.8384 18.6945 179.8662 143 R 4.3455 7.8990 120.3625 60.9839 29.6670 181.5758 144 R 4.4491 7.8486 113.3130 56.9899 28.5226 179.6038 145 Q 4.3771 8.3530 115.9157 58.2268 31.0490 175.8424 146 A 4.1452 7.9394 123.9108 52.7054 18.3056 177.1516 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 -2 S 8.32 4.45 0.00 3.90 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 -1 N 8.19 3.72 0.00 2.90 2.90 0.00 0.00 5.88 6.38 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 A 8.15 4.50 1.19 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 1 I 7.62 3.68 1.36 0.00 0.00 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 1.30 0.41 0.77 0.00 0.00 2 E 7.80 3.72 0.00 2.05 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 0.00 2.39 2.48 0.00 3 E 7.64 3.94 0.00 2.13 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 2.28 2.42 0.00 4 V 7.59 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 1.08 0.00 0.00 0.87 0.00 0.00 5 Y 7.80 4.41 0.00 3.12 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 6 E 8.14 4.01 0.00 2.08 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 2.58 2.49 0.00 7 A 8.32 4.13 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 8 T 8.10 3.77 4.37 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 0.95 0.00 0.00 9 L 8.07 3.85 0.00 1.87 1.71 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.53 4.32 0.00 2.82 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 11 A 8.17 3.94 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 12 I 8.30 3.57 1.90 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.33 0.92 0.00 0.00 13 Q 8.08 4.23 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 14 G 7.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.17 4.20 1.40 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 0.00 0.00 16 L 7.77 4.60 0.00 1.78 1.77 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.64 4.15 0.00 2.78 2.88 0.00 0.00 6.70 7.52 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 18 C 7.33 4.90 0.00 1.86 2.58 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 19 D 8.10 4.69 0.00 2.53 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 20 R 7.61 4.87 0.00 1.69 2.00 0.00 3.14 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 21 A 9.31 5.55 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 22 S 9.77 5.23 0.00 4.31 4.38 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 23 I 8.78 5.07 1.66 0.00 0.00 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 1.22 0.81 0.80 0.00 0.00 24 L 8.94 5.25 0.00 1.37 1.31 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.57 5.07 0.00 1.49 1.49 0.98 1.35 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 26 F 8.38 4.91 0.00 3.00 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 27 D 8.83 4.85 0.00 2.95 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 28 E 8.66 3.99 0.00 1.99 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 0.00 2.34 2.27 0.00 29 A 8.14 4.21 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 30 G 8.34 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 31 T 8.38 4.82 4.27 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 1.28 0.00 0.00 32 M 8.71 4.58 0.00 1.66 1.89 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.02 0.00 33 R 8.74 4.79 0.00 1.75 1.77 0.00 3.31 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 34 F 9.04 4.59 0.00 2.96 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 35 V 8.55 4.35 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 0.57 0.00 0.00 -0.16 0.00 0.00 36 A 7.69 4.56 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 37 A 8.29 5.12 1.07 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 0.00 0.00 38 R 8.31 4.10 0.00 1.80 1.70 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 39 G 8.79 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.74 4.46 0.00 1.45 1.33 0.80 -0.34 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 41 S 8.69 4.44 0.00 4.02 3.94 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 42 E 8.52 3.89 0.00 1.98 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 2.36 2.28 0.00 43 H 8.23 4.04 0.00 3.19 3.28 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 44 Y 8.11 4.08 0.00 3.13 2.84 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 0.00 45 Q 7.82 3.67 0.00 1.84 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 1.25 2.25 0.00 46 R 8.35 3.92 0.00 2.05 1.87 0.00 3.12 0.00 0.00 3.14 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 47 A 7.53 3.87 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.47 3.89 1.74 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 1.02 0.00 0.00 0.50 0.00 0.00 49 D 7.92 4.55 0.00 3.06 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 50 G 8.06 3.64 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 0.00 0.00 0.00 51 H 8.16 4.64 0.00 3.11 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.14 3.99 0.00 3.82 3.82 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 53 P 0.00 3.91 0.00 2.48 2.51 0.00 3.76 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 2.08 2.17 0.00 54 W 8.16 4.39 0.00 3.51 2.42 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 *60 E 9.20 3.99 0.00 2.06 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 2.26 2.33 0.00 61 P 0.00 4.01 0.00 2.16 2.16 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 62 E 7.83 4.75 0.00 1.62 1.61 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 2.15 2.27 0.00 63 P 0.00 4.13 0.00 1.28 1.23 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 64 I 7.32 4.12 1.39 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.31 0.53 0.00 0.00 65 F 8.33 4.91 0.00 2.68 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 0.00 0.00 0.00 66 V 9.20 4.23 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 1.22 0.00 0.00 1.11 0.00 0.00 67 E 8.99 4.65 0.00 2.05 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 0.00 2.87 2.37 0.00 68 N 8.02 5.73 0.00 2.77 2.67 0.00 0.00 7.67 7.71 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 69 V 9.09 3.76 2.33 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 1.00 0.00 0.00 1.04 0.00 0.00 70 D 8.09 4.48 0.00 2.73 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 71 D 7.66 4.72 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 72 A 7.38 4.48 1.20 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 0.00 0.00 73 E 8.21 4.21 0.00 1.79 1.81 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 2.24 2.26 0.00 74 F 7.54 5.08 0.00 3.08 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 75 S 8.60 4.43 0.00 4.06 4.07 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 76 R 8.57 4.05 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 77 E 8.36 4.27 0.00 2.02 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 0.00 2.41 2.39 0.00 78 L 8.74 3.82 0.00 1.68 1.71 0.82 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.34 3.95 0.00 2.15 1.86 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.51 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.58 7.81 80 E 8.23 4.23 0.00 2.29 2.22 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 2.49 2.37 0.00 81 S 7.83 4.25 0.00 4.02 4.01 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 82 I 7.66 3.81 2.02 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 1.65 1.34 0.99 0.00 0.00 83 V 8.39 3.78 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 0.96 0.00 0.00 1.03 0.00 0.00 84 G 8.71 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 0.00 0.00 0.00 85 E 7.94 4.09 0.00 1.98 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 1.47 1.96 0.00 86 G 8.20 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 87 I 7.35 4.62 1.97 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.43 1.14 0.00 0.00 88 A 9.41 4.81 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 89 A 7.87 5.12 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 90 L 9.61 5.04 0.00 1.62 0.89 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.07 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 0.00 0.00 0.00 0.00 92 F 8.58 4.81 0.00 2.40 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 93 F 8.77 4.65 0.00 1.65 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 94 P 0.00 4.75 0.00 1.94 1.95 0.00 3.68 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 95 L 8.98 4.90 0.00 1.62 1.56 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.07 5.60 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 0.99 0.00 0.00 0.95 0.00 0.00 97 T 7.93 4.45 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 1.25 0.00 0.00 98 E 9.51 3.88 0.00 2.13 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 0.00 2.24 2.38 0.00 99 G 8.38 3.94 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 0.00 0.00 0.00 100 R 7.82 4.22 0.00 2.15 1.91 0.00 3.14 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 101 L 8.68 4.47 0.00 1.74 1.78 1.09 1.36 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 0.00 102 I 9.96 4.72 2.03 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 1.31 1.25 0.97 0.00 0.00 103 G 7.09 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 0.00 0.00 0.00 104 K 7.81 5.09 0.00 1.85 1.80 0.00 1.36 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.36 7.81 105 F 9.39 5.60 0.00 3.17 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 0.00 106 M 9.83 5.26 0.00 1.11 1.75 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 107 T 8.63 5.09 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 1.50 0.00 0.00 108 Y 8.76 5.18 0.00 2.70 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 0.00 109 Y 9.04 4.86 0.00 2.89 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 0.00 110 D 8.96 4.82 0.00 2.59 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 0.00 111 R 7.90 4.62 0.00 1.72 1.86 0.00 3.26 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 112 P 0.00 4.51 0.00 1.91 2.14 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 113 H 8.94 4.46 0.00 2.58 2.22 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.79 4.46 0.00 1.61 1.68 0.00 3.18 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 115 F 8.37 4.61 0.00 2.43 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 0.00 116 A 8.28 4.30 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 0.00 117 D 8.53 4.37 0.00 2.71 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 0.00 118 S 8.02 4.17 0.00 4.07 4.14 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 0.00 119 E 8.15 3.99 0.00 2.21 2.22 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 2.49 2.47 0.00 120 I 7.99 4.03 2.12 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 1.18 0.00 0.00 121 G 8.53 3.62 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 0.00 122 M 8.28 4.04 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 123 A 8.94 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.23 4.06 0.00 1.90 1.80 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.26 3.94 4.38 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 1.26 0.00 0.00 126 I 8.24 3.68 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.57 0.00 0.00 127 A 8.21 4.30 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.10 3.75 0.00 2.31 2.09 0.00 3.23 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 129 Q 8.13 4.20 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 130 L 8.07 4.06 0.00 1.86 1.85 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.98 3.82 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 0.00 0.00 0.00 132 F 8.05 4.46 0.00 3.30 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 0.00 133 S 8.77 4.20 0.00 4.05 3.96 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 0.00 134 I 8.51 3.70 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.98 0.00 0.00 135 Q 8.51 4.02 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 136 R 8.42 4.14 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 137 M 8.47 4.13 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 138 R 7.90 3.73 0.00 2.01 2.03 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 *139 A 7.32 4.38 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 0.00 140 E 8.00 4.29 0.00 2.33 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 2.32 2.61 0.00 141 Y 7.69 4.05 0.00 3.08 3.28 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 0.00 0.00 0.00 0.00 142 A 8.34 4.25 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 0.00 143 R 7.90 4.35 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 144 R 7.85 4.45 0.00 1.81 1.84 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 145 Q 8.35 4.38 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 146 A 7.94 4.15 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.