NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3484 8.2033 119.6281 55.7196 30.7694 173.3561 4 L 4.8228 8.5569 123.9995 52.1868 43.8310 174.1767 5 Q 4.4524 9.6263 127.0693 54.5236 30.5194 173.8975 6 E 5.0458 8.7245 127.8400 55.9906 31.2099 174.9813 7 S 4.4855 9.4363 118.1692 58.2033 66.9886 174.1543 8 G 3.8270 8.3355 105.8692 45.2342 0.0000 172.5230 9 G 3.5856 6.9225 106.9194 44.5373 0.0000 169.6042 10 G 3.7125 7.9812 104.7138 43.8191 0.0000 171.3454 11 L 5.2634 8.2760 120.9891 53.3670 43.9353 177.3115 12 V 4.5744 8.4639 124.1562 60.1147 35.4001 173.8552 13 Q 4.5648 8.8997 122.7572 54.8082 30.3860 175.0575 14 A 4.2504 8.4356 128.0895 54.3333 18.8285 177.8703 15 G 4.0266 9.4554 110.7117 45.3071 0.0000 174.1836 16 G 4.0181 7.6467 108.6452 44.8423 0.0000 172.3621 17 S 5.2527 8.1896 113.1877 57.1782 67.6391 173.2897 18 L 4.6181 8.5824 120.5951 53.2525 46.4694 175.0380 19 R 4.8313 8.3331 120.5771 54.5229 33.3117 174.1207 20 L 4.8820 8.5053 125.3323 53.2259 45.1986 175.5324 21 S 5.4393 9.1219 116.2472 57.7021 68.1652 172.3183 22 C 5.4451 9.4140 120.6383 55.5720 45.7220 172.4905 23 A 5.4005 9.1220 127.1589 49.3369 22.0867 173.3978 24 A 5.6504 8.2710 128.2840 51.1337 19.2069 180.9303 *31 S 3.9804 8.9301 116.0338 60.2706 62.7833 171.9546 32 F 5.1472 7.5720 120.3876 55.6331 40.4190 173.6333 33 A 4.4062 8.5241 122.8096 52.2246 19.7044 176.0510 34 M 5.2298 9.0339 121.3513 53.8671 34.8989 175.0202 35 G 4.5639 9.2978 112.0661 44.1613 0.0000 171.3056 36 W 5.4335 9.0269 119.8854 54.7313 32.7388 174.9405 37 F 5.4815 9.7662 122.1167 55.7537 43.1195 174.0628 38 R 5.0804 9.2830 116.3403 54.7672 33.4148 173.9463 39 Q 4.7901 9.1894 121.1967 54.7700 32.4266 173.8639 40 A 4.9166 8.5742 128.9443 49.5477 21.1124 174.1431 41 P 4.3290 0.0000 0.0000 64.2999 31.6224 177.4212 42 G 3.9485 8.9721 110.4881 45.5289 0.0000 173.0415 43 K 4.6334 7.7297 118.4179 53.9019 34.5966 175.7875 44 E 4.0654 8.4819 122.1175 55.7303 30.2478 176.5602 45 R 4.2799 8.6872 125.6089 57.3724 30.7666 175.1784 46 E 4.9740 9.5036 124.9707 54.1488 33.0221 175.3125 47 F 3.8134 9.2456 126.2733 58.8194 39.9636 173.5632 48 V 4.1327 7.4868 123.4744 63.4760 33.6747 174.8635 49 A 4.6069 6.3849 119.0997 51.1599 22.5021 174.4498 50 S 5.2340 8.9014 113.4641 57.3253 67.4228 172.7665 51 I 5.2154 8.8348 120.2764 59.4656 41.8556 174.6266 52 S 4.7860 8.9603 123.4674 57.2171 64.2081 175.0131 53 R 3.7529 8.8208 120.9376 59.6151 29.6337 177.9184 54 S 4.1493 7.9554 110.4304 59.5052 63.2911 175.1599 55 G 4.0203 7.9420 108.5071 45.2083 0.0000 174.3199 56 T 4.0801 7.5549 108.7613 63.0939 69.4440 174.5126 57 L 4.8999 7.9309 122.8865 53.0061 44.0170 175.8031 58 T 5.1159 8.6143 113.4675 59.8555 72.0482 173.2762 59 R 4.7680 8.5766 121.9989 54.9831 33.9433 173.3209 60 Y 5.2504 8.6260 121.6539 55.7981 41.5548 175.3408 61 A 4.3579 9.0611 125.4924 52.0808 19.3060 178.1660 62 D 4.3713 9.1342 119.8817 57.8398 40.6834 179.6991 63 S 3.9902 8.0190 112.1844 60.4440 63.5126 175.3695 64 A 3.2378 7.7741 124.2281 52.0788 18.8855 177.5026 65 K 3.6179 6.7089 117.0227 58.2728 32.3596 177.5559 66 G 3.9246 8.8799 112.0041 45.2571 0.0000 173.5619 67 R 4.6201 7.2943 113.1182 55.2404 31.7925 174.8698 68 F 5.6284 8.1324 117.8466 56.1903 41.7213 175.5327 69 T 4.7634 8.9699 117.7155 62.0540 71.9856 172.7259 70 I 5.0259 9.1192 127.8324 59.7000 39.6815 174.7316 71 S 4.8382 9.0568 122.0210 57.0405 66.9526 172.6901 72 V 4.7951 8.3143 119.7484 61.2221 34.4093 174.4669 73 D 4.7668 8.6608 127.5414 52.7799 41.3751 176.6773 74 N 4.4544 8.9061 123.8732 55.1443 39.0081 176.4570 75 A 4.2731 8.2804 120.8214 53.6446 19.2192 178.2107 76 K 4.3177 8.1950 111.9239 55.5904 32.9992 175.7213 77 N 4.1617 7.9864 116.1875 54.9589 36.1833 172.9694 78 T 5.2103 7.6358 106.0686 59.9233 73.0205 173.7086 79 V 5.0282 9.0529 121.4078 61.4012 35.2986 174.3673 80 S 5.2853 9.4228 122.1023 56.6303 67.3410 172.9115 81 L 4.7046 8.4042 124.6529 53.2558 44.3739 174.7862 82 Q 4.4534 8.9546 129.2689 55.0870 30.9247 174.0840 83 M 4.4582 8.7778 126.4972 53.6929 34.3161 174.8427 84 D 5.0691 8.7936 123.3555 51.0928 44.0286 175.4732 85 N 4.2480 8.5362 115.1206 54.7344 37.5018 174.2638 86 L 4.5355 7.8728 116.9389 54.8161 42.8344 176.4360 87 N 5.3289 9.4225 117.8407 50.4248 40.9015 173.7053 88 P 4.4957 0.0000 0.0000 65.0094 31.4566 178.5710 89 D 4.5389 8.4447 117.1169 56.6806 40.7284 176.9593 90 D 4.7432 8.2068 118.0135 55.5809 41.2333 176.7630 91 T 4.3175 7.8207 116.8578 63.9425 68.8493 173.5505 92 A 4.3475 8.6426 127.1560 51.6639 23.7639 174.9075 93 V 4.3757 8.0433 119.7920 62.5892 32.9984 174.3446 94 Y 5.1645 9.1254 125.9802 56.5797 40.4200 174.2610 95 Y 5.4986 9.6889 121.5710 56.3813 41.6564 172.8198 96 C 4.2527 8.8930 117.4794 54.6871 40.8452 172.1219 97 A 4.5779 8.1917 120.3839 50.3443 22.5550 174.8585 98 A 4.9977 8.5107 122.0362 50.0837 22.2973 175.1795 99 D 4.6622 9.0814 122.7754 52.2392 41.8636 176.7496 100 L 4.2243 8.2256 125.5070 56.8277 41.9932 178.3908 101 H 4.4741 8.1875 115.3473 57.4727 29.0145 175.9758 102 R 4.5200 7.5100 118.8693 53.3240 29.8301 174.1564 103 P 4.2417 0.0000 0.0000 64.3464 32.1457 177.5170 104 Y 4.6726 7.4935 114.5880 59.3242 40.8510 176.4484 105 G 4.1266 8.0726 105.7370 44.6423 0.0000 171.3613 106 P 4.8362 0.0000 0.0000 62.0558 32.3543 176.5794 107 G 4.3279 8.8741 108.0895 46.0205 0.0000 173.7041 108 T 4.3125 8.2415 112.9364 60.8838 70.0532 174.4031 109 Q 2.8339 8.1073 118.2854 55.7371 29.1101 176.0627 110 R 4.6448 7.8635 119.0614 54.4052 31.1175 177.0569 111 S 3.8981 9.0844 118.7566 61.4300 62.4604 175.8598 112 D 4.5970 8.1482 118.3531 56.6781 40.6732 177.0129 113 E 4.1801 8.3030 117.6903 57.6686 30.1739 176.0147 114 Y 4.4905 8.2122 118.0263 56.4783 39.0612 175.8896 115 D 4.8575 8.1766 124.1885 54.2796 42.3471 176.3402 116 S 4.8605 7.5290 114.0306 56.0469 65.4701 172.5988 117 W 5.2455 8.6752 125.2205 54.6501 32.6273 175.3761 118 G 4.1018 9.1670 112.0659 45.8703 0.0000 173.7495 119 Q 4.3171 8.8251 117.2133 56.9165 29.2504 177.3707 120 G 3.6396 9.0200 104.9906 45.9575 0.0000 172.6355 121 T 4.6600 8.2751 114.6117 59.8308 71.3616 172.6637 122 Q 4.4670 8.7091 129.3905 56.0041 30.6857 174.4086 123 V 4.8063 9.0105 126.4438 61.4246 34.5373 174.2293 124 T 4.9166 8.9903 124.0038 61.7131 72.3724 172.9349 125 V 4.8400 8.6844 126.5564 60.9631 33.8515 175.5557 126 S 4.4337 8.9520 122.8867 58.5931 63.2869 174.1636 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 8.20 4.35 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 L 8.56 4.82 0.00 1.54 1.51 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.63 4.45 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 6 E 8.72 5.05 0.00 2.08 1.90 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 2.42 2.68 0.00 7 S 9.44 4.49 0.00 3.89 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 8 G 8.34 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 9 G 6.92 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 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 11 L 8.28 5.26 0.00 1.61 1.52 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.46 4.57 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 0.63 0.00 0.00 0.96 0.00 0.00 13 Q 8.90 4.56 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 14 A 8.44 4.25 1.30 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 0.00 0.00 0.00 15 G 9.46 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 0.00 0.00 0.00 16 G 7.65 4.02 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 0.00 0.00 0.00 17 S 8.19 5.25 0.00 3.66 3.69 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 18 L 8.58 4.62 0.00 1.28 1.25 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.33 4.83 0.00 1.82 1.61 0.00 3.16 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 20 L 8.51 4.88 0.00 0.66 1.33 0.36 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.12 5.44 0.00 3.77 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 22 C 9.41 5.45 0.00 2.96 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 23 A 9.12 5.40 1.25 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 0.00 0.00 0.00 24 A 8.27 5.65 1.15 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 0.00 0.00 *31 S 8.93 3.98 0.00 3.81 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 32 F 7.57 5.15 0.00 2.98 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 A 8.52 4.41 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 34 M 9.03 5.23 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 35 G 9.30 4.56 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 36 W 9.03 5.43 0.00 3.11 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 37 F 9.77 5.48 0.00 3.28 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 38 R 9.28 5.08 0.00 0.87 0.90 0.00 2.42 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 39 Q 9.19 4.79 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 40 A 8.57 4.92 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 41 P 0.00 4.33 0.00 2.07 2.04 0.00 3.77 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 8.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.73 4.63 0.00 1.88 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 44 E 8.48 4.07 0.00 1.94 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 2.33 2.31 0.00 45 R 8.69 4.28 0.00 2.01 1.84 0.00 2.99 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 46 E 9.50 4.97 0.00 1.93 1.87 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 2.28 2.48 0.00 47 F 9.25 3.81 0.00 3.09 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 48 V 7.49 4.13 2.17 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 1.25 0.00 0.00 1.02 0.00 0.00 49 A 6.38 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.90 5.23 0.00 4.17 4.40 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 51 I 8.83 5.22 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 1.05 0.00 0.00 52 S 8.96 4.79 0.00 4.17 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 53 R 8.82 3.75 0.00 1.73 2.00 0.00 3.17 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 54 S 7.96 4.15 0.00 4.03 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 7.94 4.02 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 0.00 0.00 0.00 56 T 7.55 4.08 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 1.22 0.00 0.00 57 L 7.93 4.90 0.00 1.65 1.62 0.95 0.38 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 58 T 8.61 5.12 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 1.24 0.00 0.00 59 R 8.58 4.77 0.00 1.91 1.91 0.00 3.01 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 60 Y 8.63 5.25 0.00 2.91 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 61 A 9.06 4.36 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 62 D 9.13 4.37 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 63 S 8.02 3.99 0.00 3.94 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 A 7.77 3.24 1.26 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 65 K 6.71 3.62 0.00 1.58 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.72 7.81 66 G 8.88 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 67 R 7.29 4.62 0.00 2.03 2.05 0.00 3.10 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 68 F 8.13 5.63 0.00 2.86 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 69 T 8.97 4.76 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 1.28 0.00 0.00 70 I 9.12 5.03 1.91 0.00 0.00 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 1.41 1.16 0.85 0.00 0.00 71 S 9.06 4.84 0.00 3.91 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 72 V 8.31 4.80 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 0.89 0.00 0.00 0.95 0.00 0.00 73 D 8.66 4.77 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.45 0.00 2.75 2.85 0.00 0.00 7.09 7.35 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 75 A 8.28 4.27 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 76 K 8.19 4.32 0.00 1.76 1.87 0.00 2.04 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 77 N 7.99 4.16 0.00 2.98 2.86 0.00 0.00 6.62 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 78 T 7.64 5.21 4.31 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 1.29 0.00 0.00 79 V 9.05 5.03 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 1.44 0.00 0.00 0.99 0.00 0.00 80 S 9.42 5.29 0.00 3.75 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 81 L 8.40 4.70 0.00 0.27 0.19 0.78 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.95 4.45 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 83 M 8.78 4.46 0.00 1.01 1.45 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 84 D 8.79 5.07 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.25 0.00 2.79 2.85 0.00 0.00 7.03 7.78 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 86 L 7.87 4.54 0.00 1.86 1.59 0.86 0.37 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 87 N 9.42 5.33 0.00 2.86 2.88 0.00 0.00 7.19 7.38 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 88 P 0.00 4.50 0.00 2.22 2.18 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 89 D 8.44 4.54 0.00 2.87 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 90 D 8.21 4.74 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.82 4.32 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 1.27 0.00 0.00 92 A 8.64 4.35 1.12 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 93 V 8.04 4.38 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 0.55 0.00 0.00 0.97 0.00 0.00 94 Y 9.13 5.16 0.00 2.88 3.06 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 95 Y 9.69 5.50 0.00 3.23 3.21 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 96 C 8.89 4.25 0.00 2.02 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 97 A 8.19 4.58 -0.43 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 0.00 0.00 0.00 98 A 8.51 5.00 0.17 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 0.00 0.00 99 D 9.08 4.66 0.00 1.65 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 0.00 0.00 0.00 100 L 8.23 4.22 0.00 1.56 1.66 0.83 1.23 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 0.00 101 H 8.19 4.47 0.00 3.15 3.27 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.51 4.52 0.00 1.77 1.77 0.00 3.21 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 103 P 0.00 4.24 0.00 1.37 1.85 0.00 3.50 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 0.59 1.54 0.00 104 Y 7.49 4.67 0.00 2.85 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 G 8.07 4.13 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 0.00 106 P 0.00 4.84 0.00 2.13 2.23 0.00 3.80 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 2.00 2.00 0.00 107 G 8.87 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 0.00 0.00 0.00 0.00 108 T 8.24 4.31 4.20 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 1.16 0.00 0.00 109 Q 8.11 2.83 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 1.16 2.00 0.00 110 R 7.86 4.64 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 111 S 9.08 3.90 0.00 3.48 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 0.00 112 D 8.15 4.60 0.00 2.76 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 0.00 113 E 8.30 4.18 0.00 2.07 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 2.37 2.40 0.00 114 Y 8.21 4.49 0.00 2.71 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 0.00 0.00 0.00 0.00 115 D 8.18 4.86 0.00 2.51 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 0.00 116 S 7.53 4.86 0.00 3.68 3.34 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 0.00 117 W 8.68 5.25 0.00 3.08 3.05 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 0.00 118 G 9.17 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 0.00 119 Q 8.83 4.32 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 G 9.02 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 0.00 121 T 8.28 4.66 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 1.35 0.00 0.00 122 Q 8.71 4.47 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 123 V 9.01 4.81 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 0.77 0.00 0.00 0.54 0.00 0.00 124 T 8.99 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 8.68 4.84 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 1.06 0.00 0.00 0.94 0.00 0.00 126 S 8.95 4.43 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.