NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3838 8.1749 115.2494 62.3584 68.3332 173.6136 -4 E 5.6305 8.5668 125.4627 55.9794 31.6647 174.8485 -3 F 4.8118 9.0571 121.9486 57.1576 43.2872 172.9166 -2 K 4.1108 7.6215 126.5051 53.6950 35.5090 175.4732 -1 A 3.7770 8.1516 125.6694 52.7271 18.8859 177.4069 -4 G 5.2405 8.4768 114.0627 44.4794 0.0000 173.1485 -3 S 4.6618 9.0671 117.3486 57.7576 67.4872 171.7166 -2 A 4.1108 7.5715 129.9051 49.9950 21.5090 176.6732 -1 K 3.7770 8.2016 122.2694 56.4271 32.8859 176.2069 5 K 4.0085 8.2032 118.5905 60.0019 32.2669 178.5917 6 G 4.5242 8.2691 104.6431 48.3660 0.0000 174.7233 7 A 2.6624 7.5741 121.8332 52.5972 18.7304 178.1133 8 T 4.3370 7.7367 108.0772 62.1812 70.3082 176.8180 9 L 3.8910 7.7321 122.1906 58.2664 40.9783 178.1138 10 F 3.7100 8.3178 119.1092 61.7526 38.6696 176.6153 11 K 3.8365 8.1550 116.4810 60.8609 32.1325 177.7797 12 T 4.0589 8.0072 109.9402 63.0922 69.1197 175.1650 13 R 4.4918 7.8540 118.1293 56.1166 33.2319 175.6861 14 C 4.3035 8.7109 113.5455 59.3553 30.2245 175.9955 15 L 4.5475 6.5340 121.1106 57.2036 41.8739 178.4384 16 Q 4.1669 7.9654 118.7979 58.7046 29.1045 176.6596 17 C 4.7332 7.6862 114.3090 60.2396 31.4420 173.8626 18 H 5.5262 8.5681 114.4568 54.0010 33.2051 172.8331 19 T 5.0177 8.5137 108.8666 60.4703 71.6941 175.0347 20 V 4.0190 8.2963 116.0380 62.3926 33.2594 176.3707 21 E 4.1349 7.9196 118.6350 55.4747 29.8440 174.9737 22 K 3.7084 8.1733 124.4823 60.6989 31.6183 176.0672 23 G 4.0375 8.8890 114.0968 45.1120 0.0000 172.9208 24 G 3.8104 8.1559 109.2884 44.2612 0.0000 172.0466 25 P 4.5262 0.0000 0.0000 61.8948 32.6612 175.3446 26 H 4.8834 8.2645 115.7569 55.2876 30.8538 175.3016 27 K 4.6554 8.8149 122.2586 56.4348 32.2182 177.8140 28 V 3.6809 9.1401 126.7723 66.3271 31.3399 175.2932 29 G 3.9888 7.9294 106.1392 43.3613 0.0000 171.0247 30 P 4.5469 0.0000 0.0000 61.6398 32.2874 175.8813 31 N 4.8491 8.6781 119.1535 52.5988 39.9646 174.6191 32 L 4.4885 8.8200 122.5760 54.2200 42.4860 175.8762 33 H 4.2608 7.4707 117.9427 57.2224 29.8422 174.9230 34 G 3.8900 8.7098 114.4559 46.2839 0.0000 174.0969 35 I 3.6595 7.9716 122.6878 63.6728 37.9432 176.5640 36 F 4.5349 7.8057 117.1801 58.9379 39.5027 173.5730 37 G 4.3099 9.7314 115.2848 45.6895 0.0000 174.4103 38 R 4.1702 7.3933 118.8625 56.1365 31.4420 175.7568 39 H 5.5737 8.7221 120.3627 54.1482 30.2641 175.2362 40 S 4.1285 8.2228 114.7491 58.7959 63.5843 174.3135 41 G 2.3787 7.9216 108.7602 45.0263 0.0000 173.1747 42 Q 4.5118 7.4779 111.5366 55.0042 32.1036 176.0196 43 A 4.2299 8.9130 122.4910 52.3300 18.9536 176.8606 44 E 4.5055 8.8099 119.6269 56.5122 31.1840 176.4715 45 G 3.9785 9.2679 109.5406 45.5559 0.0000 171.9201 46 Y 4.2478 7.8025 120.1495 55.1454 40.9322 174.7555 47 S 4.4900 6.6621 121.8505 56.7563 62.6339 173.3357 48 Y 4.5899 8.0715 124.3503 57.4543 38.6768 175.7388 49 T 4.3524 8.3812 112.2567 61.1460 70.3223 175.3018 50 D 4.4379 8.7643 120.3169 57.4818 41.1855 178.6156 51 A 4.0052 8.3363 120.6465 56.0426 18.1896 178.4576 52 N 4.2504 8.1783 115.1540 56.3325 38.7038 176.7555 53 I 3.5174 7.2842 122.4923 64.6767 37.5880 178.1422 54 K 4.0511 7.9331 117.4923 59.1357 31.9160 178.7368 55 K 3.8052 8.0148 119.4263 58.2577 33.4113 176.0553 56 N 3.8624 7.4831 113.9539 54.3016 37.4019 172.3250 57 V 3.8969 7.4253 119.4746 60.8574 33.9907 174.6114 58 L 4.2714 7.9600 129.6309 53.9258 42.8175 176.5760 59 W 4.8412 9.4560 128.9871 56.5332 29.0593 175.1186 60 D 5.5732 8.5927 124.3343 50.9307 42.4858 177.1922 61 E 3.9770 8.8105 117.5230 59.7576 28.0667 178.9822 62 N 4.5082 9.5464 118.5675 55.6920 38.5820 177.2887 63 N 4.2017 8.3952 117.6195 56.6657 38.9867 176.7937 64 M 4.3911 8.1754 119.0639 58.8467 32.0489 178.2753 65 S 4.1737 7.7355 111.8971 61.1339 62.7405 175.9586 66 E 4.5049 7.5919 122.5932 58.7873 28.9852 178.7176 67 F 4.1082 8.1556 119.9101 61.7187 39.3607 177.0053 68 L 3.9088 7.9280 117.9096 57.8383 40.9824 179.7167 69 T 4.3568 7.8943 116.1956 65.2539 68.5406 174.0116 70 N 4.8498 8.0490 123.4853 52.4550 40.2375 173.5358 71 P 4.7636 0.0000 0.0000 62.6774 30.9683 179.0298 *73 K 4.2659 8.2101 119.9209 56.7782 33.7692 176.1554 74 Y 4.2782 8.4348 118.2816 60.2813 39.2329 176.4853 75 I 4.5801 8.7824 121.5931 57.9554 37.7795 171.3642 76 P 4.4555 0.0000 0.0000 64.0471 31.8079 176.6757 77 G 4.1357 9.1277 110.8675 45.5209 0.0000 173.2019 78 T 4.3860 8.0292 114.7400 61.1464 68.1061 175.0098 79 K 4.4244 8.6537 125.5364 57.4012 32.7584 177.3118 80 M 4.2924 7.5894 119.1028 55.2013 30.9415 176.3456 81 A 4.3537 8.1656 131.7436 51.1905 16.6160 176.6765 82 F 4.6528 7.6336 121.1635 55.2440 41.7166 174.2928 83 G 3.2907 7.9419 117.9168 46.8894 0.0000 173.6139 84 G 4.0412 5.3800 107.3355 43.8072 0.0000 172.2850 85 L 4.6925 7.4123 120.5867 52.0760 41.5198 176.8583 86 K 4.0798 8.4081 122.9427 59.1066 33.2213 179.0067 87 K 4.2643 7.8910 119.8364 55.2292 33.5498 176.9472 88 E 3.9771 8.8709 125.2402 59.2321 29.6855 178.7153 89 K 3.8674 8.1427 118.2244 60.5185 32.4048 178.2741 90 D 4.4022 8.1572 120.2007 56.7298 40.7506 178.9464 91 R 3.9959 8.1022 118.3155 59.3718 30.0380 178.7474 92 N 4.8067 8.3076 116.0222 56.8247 38.5615 177.1994 93 D 4.4301 8.2062 120.1206 57.1709 40.8912 178.4638 94 L 4.0440 8.0850 120.8143 58.6220 42.0525 179.2147 95 I 3.9826 8.3739 119.8637 64.7129 36.8494 178.6796 96 T 3.9160 8.4326 117.1051 66.7728 68.3147 176.1433 97 Y 4.0273 8.4045 121.8566 60.4884 38.7546 177.9893 98 L 3.8530 8.5879 120.2735 57.7999 41.6219 179.1405 99 K 3.3714 8.3161 118.9892 59.7762 32.0094 178.1974 100 K 3.9734 7.6621 117.9857 59.3610 31.9223 179.3426 101 A 3.8519 7.9643 121.2199 54.2080 18.4620 178.6516 102 T 4.3309 7.2943 106.9467 61.5977 68.9321 174.6505 103 E 4.0653 7.5882 127.9374 56.7080 29.6643 175.8326 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 -5 T 8.17 4.38 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 -4 E 8.57 5.63 0.00 2.10 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 2.17 2.37 0.00 -3 F 9.06 4.81 0.00 2.99 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 -2 K 7.62 4.11 0.00 1.58 1.42 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.26 7.81 -1 A 8.15 3.78 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 0.00 0.00 -4 G 8.48 5.24 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 0.00 -3 S 9.07 4.66 0.00 3.74 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 -2 A 7.57 4.11 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 -1 K 8.20 3.78 0.00 1.56 1.50 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.39 7.81 5 K 8.20 4.01 0.00 1.91 2.02 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.74 1.61 7.81 6 G 8.27 4.52 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 0.00 0.00 0.00 7 A 7.57 2.66 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 8 T 7.74 4.34 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 1.18 0.00 0.00 9 L 7.73 3.89 0.00 1.93 1.72 0.98 0.97 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 10 F 8.32 3.71 0.00 2.89 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 11 K 8.15 3.84 0.00 2.02 1.72 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.58 7.81 12 T 8.01 4.06 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 1.21 0.00 0.00 13 R 7.85 4.49 0.00 1.95 1.70 0.00 3.16 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 14 C 8.71 4.30 0.00 1.23 1.97 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 15 L 6.53 4.55 0.00 1.72 1.73 1.19 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 16 Q 7.97 4.17 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 17 C 7.69 4.73 0.00 2.87 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 18 H 8.57 5.53 0.00 3.22 3.28 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 5.02 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 1.28 0.00 0.00 20 V 8.30 4.02 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 0.14 0.00 0.00 0.75 0.00 0.00 21 E 7.92 4.13 0.00 2.11 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 2.29 0.00 22 K 8.17 3.71 0.00 1.14 1.64 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.33 7.81 23 G 8.89 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 24 G 8.16 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 25 P 0.00 4.53 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 26 H 8.26 4.88 0.00 3.29 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.81 4.66 0.00 1.81 0.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.38 1.35 7.81 28 V 9.14 3.68 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 0.79 0.00 0.00 0.94 0.00 0.00 29 G 7.93 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 30 P 0.00 4.55 0.00 1.63 1.04 0.00 3.51 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.44 0.00 31 N 8.68 4.85 0.00 2.98 2.75 0.00 0.00 7.21 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 32 L 8.82 4.49 0.00 1.55 1.42 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.47 4.26 0.00 3.17 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.71 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.97 3.66 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.38 0.26 0.00 0.00 36 F 7.81 4.53 0.00 3.05 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 37 G 9.73 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 0.00 0.00 0.00 0.00 38 R 7.39 4.17 0.00 2.10 2.00 0.00 3.14 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 39 H 8.72 5.57 0.00 3.01 3.09 0.00 6.00 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.22 4.13 0.00 3.91 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 2.38 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 0.00 42 Q 7.48 4.51 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 43 A 8.91 4.23 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 44 E 8.81 4.51 0.00 2.17 2.05 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 2.29 2.36 0.00 45 G 9.27 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 0.00 0.00 0.00 46 Y 7.80 4.25 0.00 2.54 2.30 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 47 S 6.66 4.49 0.00 3.77 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 48 Y 8.07 4.59 0.00 3.12 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 49 T 8.38 4.35 4.32 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 1.34 0.00 0.00 50 D 8.76 4.44 0.00 2.79 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 51 A 8.34 4.01 1.45 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 0.00 0.00 52 N 8.18 4.25 0.00 2.86 2.87 0.00 0.00 7.28 7.85 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 53 I 7.28 3.52 1.87 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 1.51 0.49 0.89 0.00 0.00 54 K 7.93 4.05 0.00 1.82 1.84 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 55 K 8.01 3.81 0.00 1.86 1.95 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.27 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 N 7.48 3.86 0.00 2.84 2.64 0.00 0.00 7.17 7.70 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 57 V 7.43 3.90 1.49 0.00 0.00 0.00 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 0.63 0.00 0.00 58 L 7.96 4.27 0.00 1.58 1.46 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.46 4.84 0.00 3.44 2.71 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 60 D 8.59 5.57 0.00 2.84 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 61 E 8.81 3.98 0.00 1.27 1.72 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 2.22 2.30 0.00 62 N 9.55 4.51 0.00 2.86 2.96 0.00 0.00 7.01 6.80 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 63 N 8.40 4.20 0.00 3.22 3.08 0.00 0.00 6.77 7.66 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 64 M 8.18 4.39 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 65 S 7.74 4.17 0.00 4.06 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 66 E 7.59 4.50 0.00 2.26 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 2.46 2.29 0.00 67 F 8.16 4.11 0.00 2.73 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 68 L 7.93 3.91 0.00 1.99 1.72 0.93 0.59 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 69 T 7.89 4.36 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 1.24 0.00 0.00 70 N 8.05 4.85 0.00 2.70 2.70 0.00 0.00 7.32 7.14 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 71 P 0.00 4.76 0.00 2.21 1.47 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.60 0.00 *73 K 8.21 4.27 0.00 2.12 2.15 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.55 7.81 74 Y 8.43 4.28 0.00 3.34 3.52 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 75 I 8.78 4.58 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.97 0.00 0.00 76 P 0.00 4.46 0.00 2.05 2.04 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 77 G 9.13 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 0.00 0.00 0.00 78 T 8.03 4.39 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 1.46 0.00 0.00 79 K 8.65 4.42 0.00 1.97 1.96 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 80 M 7.59 4.29 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 81 A 8.17 4.35 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 82 F 7.63 4.65 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 83 G 7.94 3.29 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 0.00 84 G 5.38 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 85 L 7.41 4.69 0.00 1.74 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.41 4.08 0.00 1.86 1.94 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 87 K 7.89 4.26 0.00 2.09 1.76 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 88 E 8.87 3.98 0.00 2.06 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 2.44 2.43 0.00 89 K 8.14 3.87 0.00 2.03 2.09 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.57 7.81 90 D 8.16 4.40 0.00 2.78 2.81 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 91 R 8.10 4.00 0.00 2.15 2.07 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 92 N 8.31 4.81 0.00 2.98 2.98 0.00 0.00 7.09 7.75 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 93 D 8.21 4.43 0.00 2.76 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 94 L 8.08 4.04 0.00 1.82 1.89 1.06 1.01 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 95 I 8.37 3.98 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.33 0.00 0.00 96 T 8.43 3.92 4.54 0.00 0.00 0.00 0.00 0.00 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 97 Y 8.40 4.03 0.00 3.21 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 98 L 8.59 3.85 0.00 1.90 1.92 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.32 3.37 0.00 1.46 2.03 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.28 7.81 100 K 7.66 3.97 0.00 1.67 1.64 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.54 7.81 101 A 7.96 3.85 0.58 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 0.00 102 T 7.29 4.33 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 1.16 0.00 0.00 103 E 7.59 4.07 0.00 2.01 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 2.26 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.