NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5985 8.4293 117.3749 54.2643 29.4471 174.5499 *2 I 4.1278 8.5234 109.3949 61.3728 40.2868 176.1202 3 V 4.8122 8.5601 123.4722 61.2144 34.1372 173.6701 4 E 5.0164 9.2637 129.7966 55.0443 30.9143 174.4760 5 E 4.7547 9.0878 128.5710 54.7664 31.8846 174.4686 6 R 5.0717 8.8222 126.1774 54.3921 33.2201 174.7811 7 I 4.8783 8.8899 125.1453 59.7302 40.1899 174.1577 8 Y 5.4508 8.9265 124.9857 56.1800 41.4452 174.7697 9 R 4.7748 8.9313 124.3910 55.1711 31.5437 175.2083 10 I 4.6154 8.3953 128.0975 59.9840 38.7287 176.2724 11 R 3.9770 8.8257 125.0655 56.1109 31.3106 176.6007 12 G 3.8571 8.7140 111.1150 47.7771 0.0000 173.8318 13 G 3.9666 9.1086 112.8316 45.4422 0.0000 174.1035 14 K 4.3568 7.6898 120.7879 54.6979 31.0900 176.4656 *16 Q 4.2834 7.8549 120.8376 55.6784 31.6600 177.7135 17 E 3.9280 8.2641 117.9981 59.3521 29.7900 177.8403 18 Y 4.0732 8.3723 119.8899 60.8981 38.7803 178.2125 19 L 4.0630 8.1449 119.3468 57.5579 41.7810 179.2391 20 K 3.8922 7.9404 119.4092 59.3931 32.1797 178.7780 21 L 4.0747 7.7508 118.8547 57.8933 41.5620 179.7929 22 V 3.5526 7.5571 117.8843 65.9578 31.2645 177.8441 23 R 3.7477 8.2331 117.6372 59.3527 30.0031 177.6139 24 E 4.3914 8.1106 115.6042 57.1079 29.7118 176.2495 25 E 4.4367 7.7891 116.5857 57.0329 33.0758 177.6609 26 G 2.9286 7.7708 105.0899 47.7452 0.0000 175.4676 27 I 3.8687 7.8783 121.1999 63.4991 37.7493 177.7892 28 A 3.9930 7.8413 120.5524 54.8508 17.2834 179.3684 29 I 3.8342 7.3906 117.6680 64.5094 37.3916 178.2807 30 Q 3.4950 8.3945 120.3867 58.8998 28.9063 178.1415 31 A 4.3210 8.1896 121.7270 54.9999 18.2992 177.7333 32 P 4.2796 0.0000 0.0000 65.8013 31.4327 178.6972 33 I 3.8626 6.9089 114.8107 64.4248 37.2125 178.2241 34 L 4.1669 7.7291 118.5637 56.0652 41.4514 176.6902 35 G 4.2691 9.7515 106.7369 45.8694 0.0000 173.8760 36 N 4.8513 7.6503 116.5991 51.3812 39.2772 171.9499 37 L 3.3766 7.8137 120.2953 55.0812 42.8281 176.4253 38 I 3.9080 7.9544 127.4310 63.5022 37.9612 176.3695 39 G 3.8288 6.8650 104.3546 45.1755 0.0000 171.5279 40 Y 4.6858 7.4007 122.4260 55.5266 41.5268 174.3152 41 F 5.1569 9.6866 125.1316 55.7669 43.8381 173.7523 42 V 4.8902 8.4749 120.6686 61.3936 33.5325 175.2841 43 T 4.0879 8.6565 125.0679 63.8095 68.2928 173.9328 44 D 4.6384 8.8916 125.1664 55.0518 42.5504 176.4935 45 I 4.5679 8.2103 118.6590 59.1932 40.9821 173.5348 46 G 3.7824 8.7227 114.4774 43.7684 0.0000 171.3579 47 P 4.2647 0.0000 0.0000 62.6517 31.7167 176.1858 48 L 4.4247 8.3648 123.1651 53.4143 43.9248 175.6057 49 S 3.6510 8.2713 111.3439 59.9113 60.8704 170.9729 50 Q 5.1106 7.7437 119.6520 54.4246 32.1775 174.8134 51 V 5.0611 8.4730 119.0021 59.7985 35.1547 174.7928 52 I 5.0310 9.1483 123.7586 60.1036 41.2825 174.3598 53 H 5.3725 8.2330 121.0770 52.5327 32.5329 171.5780 *55 W 4.7313 8.4633 116.3653 56.8563 30.4016 174.9318 56 G 4.2779 8.7747 112.5577 45.2579 0.0000 172.6793 57 Y 5.0762 8.7411 120.2942 55.9538 41.6033 175.7371 58 A 4.1771 9.0238 125.2253 55.0946 19.0081 178.2174 59 S 4.6592 7.5483 108.5843 56.3746 66.9403 175.4402 60 L 3.8793 8.3568 122.0707 57.9026 41.3812 179.4128 61 D 4.2819 8.0039 118.4975 57.3752 40.7992 178.1678 62 D 4.2783 7.9154 118.3287 57.0809 41.1804 178.0982 63 R 2.7185 7.9085 119.3497 59.0182 29.8495 178.2675 64 A 3.8308 7.9653 120.6276 55.0533 18.3876 179.0461 65 E 3.8004 8.0895 117.7123 59.7129 29.6241 179.4026 66 R 3.9415 7.9099 117.8850 59.2065 30.1734 179.2590 67 R 3.8614 8.3828 118.5136 58.8671 29.7471 179.3369 68 G 3.5665 8.0178 105.2517 47.4725 0.0000 175.6760 69 K 4.0723 8.0576 120.8396 59.1356 32.1518 178.8347 70 L 3.6586 7.8962 120.4518 58.3788 41.6562 179.0923 71 A 4.2930 7.7621 118.6912 54.6517 18.3824 178.5211 72 E 4.3444 7.7597 114.6932 55.9791 30.4389 176.1673 73 D 4.4962 7.7315 123.3624 54.4804 41.9601 177.7514 74 Q 4.4568 8.6810 129.4766 59.6340 28.1921 175.9426 75 R 4.2017 8.1765 118.1991 59.2896 30.2154 178.5770 76 W 4.4263 8.6138 128.2228 60.7386 30.2535 178.0443 77 Q 3.9593 8.3793 117.8502 58.9121 27.9264 178.5800 78 A 4.0892 7.7594 120.6713 54.5262 18.7370 179.2087 79 F 4.1588 8.0766 119.3621 61.2551 39.5735 177.5519 80 I 2.9552 7.8450 118.4926 63.3635 37.4418 176.0517 81 P 4.0812 0.0000 0.0000 65.3671 30.9076 178.7334 82 R 3.7734 7.3104 116.2196 58.7151 30.1527 178.4429 83 L 3.9099 7.0192 119.8731 58.0069 42.1571 178.9499 84 S 4.0969 8.1408 115.7324 61.2854 62.5574 176.7076 85 V 3.7573 7.3445 120.5622 63.6256 31.2464 177.2001 86 L 4.5974 7.8843 118.8856 53.6693 41.8928 175.4291 87 I 4.5692 6.9896 121.0913 59.8430 38.0548 175.3994 88 E 4.2400 8.9780 126.5262 58.9645 30.0234 177.2245 89 S 4.8368 7.7950 111.9607 57.1031 66.2330 172.8438 90 S 5.4067 8.4124 117.5661 57.6012 65.9018 172.4324 91 E 4.9564 9.2961 118.5133 56.1517 33.2478 173.0501 92 N 5.6636 8.5195 116.8577 52.2555 40.7700 173.2414 93 R 4.6570 8.8781 114.0315 55.4136 33.3677 174.0408 94 I 4.7756 8.3207 121.2104 59.9513 38.6509 174.9918 95 L 4.5735 9.1259 128.5654 53.2889 43.5572 175.7846 96 L 4.8089 8.3203 123.7826 52.2065 42.9513 174.8946 97 P 4.2016 0.0000 0.0000 62.6897 32.1693 176.5713 98 T 4.0104 7.8755 112.0843 60.7742 69.5108 174.9626 99 D 4.5388 8.3082 120.6475 54.8039 39.4748 176.6873 100 F 4.8626 6.9001 114.8271 56.5634 38.0844 174.7718 101 S 4.4991 7.5539 116.4326 56.9556 62.5838 172.1487 102 P 4.2539 0.0000 0.0000 65.0708 31.2831 176.1722 103 L 4.3517 7.6362 119.8937 54.0438 42.2970 176.0161 104 R 4.1083 8.2930 125.4678 57.0184 29.8201 174.0789 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 *0 H 8.43 4.60 0.00 2.95 2.74 0.00 7.20 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 8.52 4.13 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.94 0.00 0.00 3 V 8.56 4.81 2.10 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 0.81 0.00 0.00 0.93 0.00 0.00 4 E 9.26 5.02 0.00 2.24 2.14 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 2.38 2.34 0.00 5 E 9.09 4.75 0.00 2.10 1.80 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 2.20 2.26 0.00 6 R 8.82 5.07 0.00 1.22 1.43 0.00 3.30 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 7 I 8.89 4.88 1.91 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 1.22 0.78 0.94 0.00 0.00 8 Y 8.93 5.45 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 4.77 0.00 1.90 1.81 0.00 3.08 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 10 I 8.40 4.62 1.80 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 1.03 0.55 0.96 0.00 0.00 11 R 8.83 3.98 0.00 1.76 1.86 0.00 3.14 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 G 8.71 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 0.00 0.00 0.00 13 G 9.11 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 0.00 0.00 0.00 14 K 7.69 4.36 0.00 1.94 1.80 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.54 7.81 *16 Q 7.85 4.28 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 17 E 8.26 3.93 0.00 2.07 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 2.39 2.38 0.00 18 Y 8.37 4.07 0.00 3.08 2.98 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 19 L 8.14 4.06 0.00 1.81 1.74 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.94 3.89 0.00 1.94 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 21 L 7.75 4.07 0.00 1.87 1.82 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.56 3.55 1.83 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 0.65 0.00 0.00 0.67 0.00 0.00 23 R 8.23 3.75 0.00 1.81 1.94 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 24 E 8.11 4.39 0.00 2.07 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 2.27 2.50 0.00 25 E 7.79 4.44 0.00 2.11 1.68 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 2.28 2.31 0.00 26 G 7.77 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 0.00 0.00 0.00 27 I 7.88 3.87 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 0.86 0.00 0.00 28 A 7.84 3.99 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 29 I 7.39 3.83 2.14 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 1.43 0.90 1.02 0.00 0.00 30 Q 8.39 3.50 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.80 1.45 0.00 31 A 8.19 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.28 0.00 2.01 2.13 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 33 I 6.91 3.86 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.39 0.83 0.00 0.00 34 L 7.73 4.17 0.00 1.39 1.49 -0.52 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.75 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 0.00 0.00 0.00 0.00 36 N 7.65 4.85 0.00 2.71 2.76 0.00 0.00 6.84 6.66 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 37 L 7.81 3.38 0.00 1.13 1.34 -0.25 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.95 3.91 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.88 0.00 0.00 39 G 6.87 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 40 Y 7.40 4.69 0.00 2.66 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 41 F 9.69 5.16 0.00 2.90 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 42 V 8.47 4.89 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 0.91 0.00 0.00 1.07 0.00 0.00 43 T 8.66 4.09 4.35 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 1.22 0.00 0.00 44 D 8.89 4.64 0.00 2.62 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 45 I 8.21 4.57 1.86 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 1.35 0.78 0.91 0.00 0.00 46 G 8.72 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 0.00 0.00 0.00 47 P 0.00 4.26 0.00 2.06 2.02 0.00 3.66 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 2.03 2.10 0.00 48 L 8.36 4.42 0.00 1.63 1.61 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.27 3.65 0.00 3.95 3.80 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 50 Q 7.74 5.11 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 51 V 8.47 5.06 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 0.76 0.00 0.00 0.92 0.00 0.00 52 I 9.15 5.03 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 0.99 0.00 0.00 53 H 8.23 5.37 0.00 2.56 1.81 0.00 5.58 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 W 8.46 4.73 0.00 3.31 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 56 G 8.77 4.28 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 0.00 57 Y 8.74 5.08 0.00 2.84 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 58 A 9.02 4.18 1.33 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 59 S 7.55 4.66 0.00 4.01 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 60 L 8.36 3.88 0.00 1.68 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.00 4.28 0.00 2.73 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 62 D 7.92 4.28 0.00 2.76 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 63 R 7.91 2.72 0.00 0.84 1.64 0.00 3.26 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 64 A 7.97 3.83 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 65 E 8.09 3.80 0.00 2.24 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 2.31 2.23 0.00 66 R 7.91 3.94 0.00 1.92 2.11 0.00 3.62 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 67 R 8.38 3.86 0.00 1.73 1.87 0.00 3.00 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 68 G 8.02 3.57 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 0.00 0.00 0.00 69 K 8.06 4.07 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 70 L 7.90 3.66 0.00 1.49 1.61 -0.27 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.76 4.29 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 72 E 7.76 4.34 0.00 2.06 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 0.00 2.32 2.32 0.00 73 D 7.73 4.50 0.00 2.71 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 74 Q 8.68 4.46 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.36 1.88 0.00 75 R 8.18 4.20 0.00 2.12 2.08 0.00 3.13 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 76 W 8.61 4.43 0.00 3.41 3.38 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 77 Q 8.38 3.96 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 78 A 7.76 4.09 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 79 F 8.08 4.16 0.00 3.13 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 80 I 7.85 2.96 0.77 0.00 0.00 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 1.40 1.11 0.73 0.00 0.00 81 P 0.00 4.08 0.00 2.07 1.98 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 82 R 7.31 3.77 0.00 1.53 1.76 0.00 3.07 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 83 L 7.02 3.91 0.00 0.94 1.43 0.39 1.17 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 84 S 8.14 4.10 0.00 3.78 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 85 V 7.34 3.76 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 0.75 0.00 0.00 0.90 0.00 0.00 86 L 7.88 4.60 0.00 1.98 1.81 0.99 0.73 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 87 I 6.99 4.57 1.74 0.00 0.00 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 1.25 0.72 0.70 0.00 0.00 88 E 8.98 4.24 0.00 1.93 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 2.39 2.39 0.00 89 S 7.80 4.84 0.00 3.84 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 90 S 8.41 5.41 0.00 3.98 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 91 E 9.30 4.96 0.00 2.08 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 0.00 2.26 2.29 0.00 92 N 8.52 5.66 0.00 2.87 2.87 0.00 0.00 5.82 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 93 R 8.88 4.66 0.00 1.90 2.03 0.00 2.75 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 94 I 8.32 4.78 1.89 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 1.37 0.92 0.94 0.00 0.00 95 L 9.13 4.57 0.00 1.63 1.57 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.32 4.81 0.00 1.49 1.58 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.20 0.00 1.97 2.13 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 98 T 7.88 4.01 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 0.87 0.00 0.00 99 D 8.31 4.54 0.00 2.81 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 0.00 100 F 6.90 4.86 0.00 3.05 3.13 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 0.00 101 S 7.55 4.50 0.00 3.70 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 0.00 102 P 0.00 4.25 0.00 2.09 2.13 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 103 L 7.64 4.35 0.00 1.57 1.57 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.29 4.11 0.00 1.96 1.69 0.00 3.31 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.