NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9920 7.8976 120.3919 62.8494 32.8603 174.8231 7 E 4.7182 8.0169 117.3552 52.7651 30.7685 170.1284 8 V 3.8769 8.8484 127.0716 62.2127 32.7960 179.6732 9 S 4.6757 8.5814 116.2594 57.9751 62.7256 175.5237 10 E 4.5040 8.8606 113.3274 55.9007 31.9787 177.6315 11 Q 3.9056 8.2033 119.0960 59.2219 29.2211 177.7827 12 E 3.9102 8.1519 119.5439 59.4946 29.3434 179.4829 13 V 3.6256 7.0055 114.3571 65.7804 31.1200 177.8773 14 K 4.1494 7.8938 118.3890 58.3239 32.0386 177.7584 15 R 4.2766 7.4412 117.4615 56.5063 30.6588 176.4661 16 E 3.9386 8.7758 116.1443 57.0928 27.1614 175.2430 17 K 4.4978 7.8093 119.0499 55.8004 34.2560 176.3616 18 E 4.5501 7.6636 115.5184 56.6736 31.3907 177.6134 19 K 4.9663 8.3735 119.1673 57.4067 32.5697 177.9206 20 A 4.1536 7.8131 120.6908 55.5091 18.6373 179.5671 21 R 4.0146 7.7770 115.8128 59.0456 30.1153 178.3835 22 E 3.9842 8.0513 117.2861 57.7511 29.4650 178.3060 23 L 4.1843 8.1031 121.4624 57.3241 42.2910 178.3430 24 R 4.0705 7.3481 115.9445 58.2171 30.0536 177.3431 25 R 4.4864 7.8386 115.3604 56.2841 31.2996 177.1980 26 S 4.5520 8.2283 114.7799 57.8764 65.2036 174.9003 27 Q 4.0429 8.6755 123.2763 59.0287 28.8322 177.6232 28 W 4.3610 8.5225 128.9977 60.7674 30.6573 177.4738 29 W 3.5977 8.7893 127.6538 60.1797 30.2006 178.1175 30 K 3.8278 8.0428 117.9319 59.7128 31.5753 179.1080 31 N 4.2648 8.3453 116.8814 56.2839 38.5685 177.7468 32 R 3.5740 7.6263 119.7377 58.4325 29.7149 178.4524 33 I 3.7673 6.7612 110.8283 61.8685 38.0985 177.7460 34 A 4.0014 7.2879 122.5635 55.3383 18.3577 179.0901 35 R 3.9829 7.4983 115.2095 58.1744 30.3856 178.3896 36 G 4.3570 7.3626 103.2255 46.6017 0.0000 172.4299 37 I 4.5325 7.4385 120.4265 59.9037 37.8549 175.2968 38 C 4.3734 9.2874 127.3555 59.1023 32.1443 173.7334 39 H 4.0552 9.0923 127.6100 59.5804 29.4990 176.0950 40 Y 4.2096 7.9236 115.9767 60.6757 37.9693 176.3824 41 C 4.1778 8.2832 113.3885 58.4231 30.5637 175.2184 42 G 4.0443 7.9919 107.6670 45.8161 0.0000 173.4480 43 E 4.3151 7.6525 119.2631 55.8041 31.1644 175.5671 44 I 4.8597 7.7470 121.8634 60.4528 38.9238 175.1486 45 F 5.0245 9.4151 123.8238 55.1750 44.0913 172.3385 46 P 4.7184 0.0000 0.0000 61.7388 32.2012 175.5007 47 P 4.2474 0.0000 0.0000 66.1717 31.7795 177.6046 48 E 4.1306 8.4171 116.8954 59.8141 29.4360 179.1631 49 E 4.1045 8.1118 115.6884 56.4830 28.9527 175.9007 50 L 5.0243 7.8060 119.5866 53.2671 45.3116 175.3237 51 T 4.6184 8.5909 112.1429 61.9778 71.3607 176.1931 *53 D 4.6629 8.7643 118.9123 54.3158 42.5058 171.9594 54 H 5.0140 8.7165 122.2339 54.7039 29.6571 174.8040 55 L 4.1937 9.6737 126.0443 57.2912 41.6441 177.3515 56 V 4.0093 7.6076 118.4308 60.8319 32.3833 173.8517 57 P 4.5751 0.0000 0.0000 62.7902 32.1299 177.4758 58 V 3.8506 8.4867 115.2957 63.9530 32.0490 178.6844 59 V 3.5227 7.9106 118.6320 66.2910 31.3564 178.1774 60 R 5.0810 7.2372 114.1315 56.2239 29.2992 177.4725 61 G 3.9307 8.0771 105.7483 44.9985 0.0000 174.8849 62 G 4.2855 8.1421 108.7635 45.0417 0.0000 173.2472 63 K 4.5729 7.9132 119.4110 54.7413 34.8964 177.5708 64 S 4.6305 8.0816 118.9480 57.3882 61.3657 173.4103 65 T 4.6524 7.1271 112.5978 59.0710 72.1625 176.2390 66 R 3.3234 8.2492 120.7455 58.8503 29.9951 177.9728 67 G 4.0343 7.3230 105.2451 45.4964 0.0000 173.6133 68 N 5.0804 8.5293 116.5235 52.9456 43.1757 174.1927 69 V 5.1807 7.9312 110.8795 60.1011 34.5905 175.3475 70 V 4.9607 8.8133 122.6299 59.5179 34.6876 172.5971 71 P 5.0446 0.0000 0.0000 63.2759 32.5012 174.9153 72 A 5.2486 9.1591 123.9921 50.4840 23.2482 175.4099 73 C 4.5694 8.4242 113.9331 56.0715 31.2536 174.7153 74 K 3.8020 8.5152 120.1664 59.4788 31.8180 178.6371 75 E 3.8124 8.7109 115.2107 58.9698 29.1281 178.8900 76 C 4.0622 9.0180 120.5618 63.8806 29.0068 175.1916 77 N 4.1388 7.9492 116.9020 56.4237 38.6774 176.4384 78 N 4.3863 8.3246 118.2092 56.1788 39.0284 177.6143 79 R 2.5100 7.4201 118.0692 57.5304 29.7409 178.8260 80 K 2.0000 6.4804 119.2319 58.5867 32.2198 178.7275 81 K 3.9677 7.4088 117.3210 58.3100 31.9794 177.2935 82 Y 4.6974 7.0001 114.1788 56.5991 39.9329 176.0225 83 L 4.3223 6.9353 120.0675 54.2152 42.5447 177.2256 84 L 4.3728 8.2083 120.2716 53.8064 43.6086 176.5391 85 P 4.5711 0.0000 0.0000 65.7121 31.3480 179.1141 86 V 3.8863 7.7639 117.6678 64.7636 31.6858 178.2582 87 E 4.3094 8.0505 120.2410 58.2689 29.5951 178.8538 88 W 4.5938 9.1246 128.5392 59.5349 30.3538 176.7256 89 E 4.3989 7.5686 117.2190 56.0854 29.4070 176.2484 90 E 4.5197 8.2233 120.7868 57.5647 32.5896 178.0935 91 Y 4.0596 8.0831 119.2897 60.7044 39.2733 177.4259 92 L 3.4270 7.0160 117.2775 57.9050 41.6350 178.0950 93 D 4.6412 7.2313 112.4413 54.2472 40.5510 176.6476 94 S 4.3021 7.6307 120.4753 58.3751 63.0238 173.7701 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 6 V 7.90 3.99 2.08 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 0.99 0.00 0.00 0.93 0.00 0.00 7 E 8.02 4.72 0.00 2.00 1.91 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 2.15 2.42 0.00 8 V 8.85 3.88 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 0.76 0.00 0.00 0.95 0.00 0.00 9 S 8.58 4.68 0.00 3.90 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 10 E 8.86 4.50 0.00 1.99 1.89 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 2.24 2.30 0.00 11 Q 8.20 3.91 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 12 E 8.15 3.91 0.00 2.02 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 2.32 2.45 0.00 13 V 7.01 3.63 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 0.80 0.00 0.00 0.97 0.00 0.00 14 K 7.89 4.15 0.00 2.07 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.86 1.60 7.81 15 R 7.44 4.28 0.00 2.02 1.83 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 16 E 8.78 3.94 0.00 2.07 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 2.19 2.25 0.00 17 K 7.81 4.50 0.00 1.84 1.90 0.00 1.58 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 18 E 7.66 4.55 0.00 2.30 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 2.39 2.18 0.00 19 K 8.37 4.97 0.00 1.77 1.88 0.00 1.57 0.00 0.00 2.49 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.34 7.81 20 A 7.81 4.15 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 21 R 7.78 4.01 0.00 1.95 1.98 0.00 3.27 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 22 E 8.05 3.98 0.00 2.20 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 2.33 2.55 0.00 23 L 8.10 4.18 0.00 1.72 1.53 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.35 4.07 0.00 2.03 2.09 0.00 3.16 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.48 0.00 25 R 7.84 4.49 0.00 1.82 2.02 0.00 3.31 0.00 0.00 3.54 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 26 S 8.23 4.55 0.00 4.21 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 27 Q 8.68 4.04 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.78 0.00 28 W 8.52 4.36 0.00 3.46 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 29 W 8.79 3.60 0.00 3.75 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 30 K 8.04 3.83 0.00 2.15 1.83 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 31 N 8.35 4.26 0.00 2.64 2.78 0.00 0.00 7.09 8.02 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 32 R 7.63 3.57 0.00 0.86 1.11 0.00 2.94 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 33 I 6.76 3.77 1.64 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 1.31 0.38 0.10 0.00 0.00 34 A 7.29 4.00 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 35 R 7.50 3.98 0.00 1.67 1.95 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 36 G 7.36 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 0.00 0.00 0.00 0.00 37 I 7.44 4.53 1.84 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 1.28 0.57 0.92 0.00 0.00 38 C 9.29 4.37 0.00 3.08 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 39 H 9.09 4.06 0.00 3.04 3.19 0.00 6.00 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.92 4.21 0.00 3.20 3.01 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 41 C 8.28 4.18 0.00 3.13 3.26 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 42 G 7.99 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 43 E 7.65 4.32 0.00 1.78 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 2.32 2.41 0.00 44 I 7.75 4.86 1.73 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 0.45 0.91 0.00 0.00 45 F 9.42 5.02 0.00 2.90 2.92 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 46 P 0.00 4.72 0.00 2.43 2.20 0.00 3.96 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 2.15 2.05 0.00 47 P 0.00 4.25 0.00 2.04 2.15 0.00 3.69 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 2.01 2.36 0.00 48 E 8.42 4.13 0.00 2.09 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 2.42 2.42 0.00 49 E 8.11 4.10 0.00 2.00 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 2.38 2.51 0.00 50 L 7.81 5.02 0.00 1.72 1.51 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.59 4.62 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 1.24 0.00 0.00 *53 D 8.76 4.66 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 54 H 8.72 5.01 0.00 3.07 3.40 0.00 5.76 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.67 4.19 0.00 1.63 1.76 1.10 0.20 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 56 V 7.61 4.01 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 1.02 0.00 0.00 0.96 0.00 0.00 57 P 0.00 4.58 0.00 2.19 1.94 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 58 V 8.49 3.85 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 0.95 0.00 0.00 0.82 0.00 0.00 59 V 7.91 3.52 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 0.97 0.00 0.00 0.89 0.00 0.00 60 R 7.24 5.08 0.00 1.84 1.92 0.00 3.30 0.00 0.00 3.88 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 61 G 8.08 3.93 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 62 G 8.14 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 0.00 0.00 0.00 0.00 63 K 7.91 4.57 0.00 1.84 1.70 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.50 7.81 64 S 8.08 4.63 0.00 3.83 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 65 T 7.13 4.65 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 1.16 0.00 0.00 66 R 8.25 3.32 0.00 1.40 1.32 0.00 2.66 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 67 G 7.32 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 68 N 8.53 5.08 0.00 2.77 2.89 0.00 0.00 7.02 7.60 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 69 V 7.93 5.18 1.89 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 0.58 0.00 0.00 1.10 0.00 0.00 70 V 8.81 4.96 2.03 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 0.60 0.00 0.00 0.68 0.00 0.00 71 P 0.00 5.04 0.00 1.96 1.58 0.00 3.69 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 2.00 1.65 0.00 72 A 9.16 5.25 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 73 C 8.42 4.57 0.00 2.09 1.63 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 74 K 8.52 3.80 0.00 1.68 1.94 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.61 7.81 75 E 8.71 3.81 0.00 2.06 1.91 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 2.50 2.54 0.00 76 C 9.02 4.06 0.00 3.17 3.35 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 77 N 7.95 4.14 0.00 2.74 2.94 0.00 0.00 7.33 7.68 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 78 N 8.32 4.39 0.00 2.89 2.95 0.00 0.00 6.93 7.27 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 79 R 7.42 2.51 0.00 1.56 1.44 0.00 2.99 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 80 K 6.48 2.00 0.00 0.79 1.26 0.00 1.29 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.97 0.57 7.81 81 K 7.41 3.97 0.00 1.80 1.78 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.51 7.81 82 Y 7.00 4.70 0.00 2.89 2.97 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 83 L 6.94 4.32 0.00 1.75 1.81 1.20 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.21 4.37 0.00 1.79 1.63 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.57 0.00 2.07 2.20 0.00 3.71 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 2.06 2.18 0.00 86 V 7.76 3.89 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 1.04 0.00 0.00 0.96 0.00 0.00 87 E 8.05 4.31 0.00 2.15 2.15 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 2.46 2.24 0.00 88 W 9.12 4.59 0.00 3.27 3.14 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 89 E 7.57 4.40 0.00 2.04 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 2.16 2.50 0.00 90 E 8.22 4.52 0.00 2.23 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 2.22 2.48 0.00 91 Y 8.08 4.06 0.00 3.03 2.92 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 92 L 7.02 3.43 0.00 1.40 1.41 -0.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.23 4.64 0.00 2.71 2.61 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 0.00 94 S 7.63 4.30 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.