NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5179 8.1576 122.0617 56.3807 36.2077 176.4341 4 V 4.5234 8.3440 117.6269 58.1790 33.7948 173.5739 5 C 3.9887 9.6849 126.4035 59.9608 32.6925 175.6346 6 E 4.0876 8.6681 126.8206 59.0260 29.5812 178.4655 7 I 3.8097 7.6952 118.8842 63.3451 37.2388 176.7471 8 S 4.4159 7.7896 111.7681 57.1721 63.2568 175.1878 9 G 3.9670 8.0240 107.6999 45.9115 0.0000 174.3675 10 K 4.2260 7.3982 119.3265 56.6385 33.0101 176.3101 11 R 5.4086 8.5378 119.4955 52.5345 33.1247 172.7164 12 P 4.7153 0.0000 0.0000 63.0145 32.0342 175.5298 13 I 4.6239 8.4580 114.9174 58.9920 41.4410 174.1562 14 V 4.4928 8.2429 122.8301 62.1801 32.4361 174.7607 15 A 4.8566 9.3061 128.8599 50.1914 23.4841 173.9323 16 N 5.1801 8.3659 115.6471 51.4420 41.3526 174.4625 17 S 4.4227 9.2645 120.3166 58.3237 63.3225 172.8193 18 I 4.8430 8.2862 128.9112 59.7903 38.7659 175.2521 19 Q 4.6111 8.9399 127.1212 54.6672 30.4850 175.3176 20 R 5.2227 8.5113 121.0055 54.5036 34.4093 174.1434 21 R 4.5802 8.8147 120.7570 55.5374 34.2766 175.4217 22 G 4.2739 8.8686 106.1366 45.3340 0.0000 172.9384 23 K 4.1102 8.1933 120.1520 54.8303 33.1371 176.7249 24 A 4.1542 8.4419 128.2518 52.6514 18.8364 177.5493 25 K 4.3004 8.3627 115.5583 57.9812 32.9281 179.0171 26 R 4.2549 7.9885 117.3895 58.2862 31.2108 175.1059 27 E 4.6968 7.6158 117.2008 56.2244 30.9564 176.9624 28 G 3.8691 8.3387 115.0121 47.9574 0.0000 175.7397 29 G 3.7548 8.2357 107.9935 46.3023 0.0000 172.2563 30 V 3.1054 9.6381 111.7633 64.2462 30.9940 172.8140 31 G 3.8149 7.1048 100.0468 44.0052 0.0000 172.8078 32 K 4.6808 8.1890 117.8237 55.5194 33.5506 176.9432 33 K 4.5865 8.9688 122.7637 54.6893 35.4125 175.5861 34 T 4.4808 8.6460 122.0598 63.6654 68.6633 173.6869 35 T 4.3932 9.3193 122.0125 60.1995 67.8964 174.1115 36 G 4.3265 7.1245 110.4530 44.5319 0.0000 172.6885 37 I 4.9130 7.6343 122.7390 60.2272 40.2646 174.3942 38 S 4.8410 9.1434 123.1103 56.2850 65.6386 173.6367 39 K 5.0017 8.7496 122.8817 55.9780 33.2127 175.5348 40 R 4.6622 8.3235 120.8914 55.6816 33.2083 173.2596 41 R 5.0160 8.4165 115.2283 54.3473 32.4773 174.8651 42 Q 4.4437 8.8018 120.1607 54.4457 31.1846 174.8417 43 Y 4.7041 8.3865 121.9493 55.8571 39.6835 173.6536 44 P 4.5395 0.0000 0.0000 62.3654 33.0505 176.7027 45 N 4.7754 8.4538 119.4144 54.3477 36.0618 173.3869 46 L 4.6581 7.7489 120.6899 54.6770 43.1895 177.1052 47 Q 4.6479 8.9536 120.6468 54.0822 33.6332 173.7885 48 K 4.6967 8.5877 122.6157 55.3881 33.8689 176.0415 49 V 4.3481 9.0647 126.7734 61.4212 34.1882 174.1771 50 R 5.0873 8.6654 127.2266 55.0334 32.0964 176.4314 51 V 4.3789 8.6674 121.1911 60.5315 34.9704 175.2529 52 R 3.7055 9.2223 122.2283 56.9824 30.5337 177.4062 53 V 3.0367 8.6415 116.4024 63.4594 30.4989 174.2460 54 A 3.6066 8.3786 130.8724 51.3820 16.1854 175.5051 55 G 3.5927 8.2358 98.6744 50.1352 0.0000 174.3503 56 Q 4.1789 7.6259 119.6338 54.3026 30.2123 175.3665 57 E 5.1732 8.7207 120.0028 54.1349 30.1777 175.0309 58 I 4.3991 7.9123 120.1431 59.5716 40.5608 174.3610 59 T 4.8785 8.0836 117.3431 60.4185 69.6660 172.9887 60 F 5.3172 9.4402 127.4015 55.9515 42.3883 174.6818 61 R 5.1613 9.4821 122.3396 54.7729 32.3705 174.8267 62 V 4.8125 8.7628 124.7039 59.8947 35.1632 173.7154 63 A 4.5932 8.7193 122.9983 52.3760 18.8195 178.7996 64 A 4.1016 8.4903 122.9961 54.7843 18.8992 179.9135 65 S 4.2538 8.1465 110.1973 61.8133 63.1153 174.8619 66 H 4.6149 7.9028 115.9727 55.6131 28.6229 177.2781 67 I 3.4658 7.8514 122.5698 63.9052 36.8653 175.9544 68 P 4.2585 0.0000 0.0000 66.2755 30.6763 177.9901 69 K 3.9172 7.1750 118.6040 59.1085 32.0374 178.2032 70 V 3.7479 7.8219 112.6247 63.9812 31.5906 178.1207 71 Y 4.5428 8.3857 117.0112 61.1747 37.6381 177.7524 72 E 4.3441 8.2950 119.1798 58.3295 29.6124 177.4150 73 L 4.3549 7.5551 118.5552 56.3367 42.5809 177.4244 74 V 4.1564 8.2283 117.6992 65.4152 32.0429 177.1332 75 E 3.9449 8.1609 118.0272 59.6008 29.5433 179.1131 76 R 3.8004 7.8490 116.3378 59.5431 30.1535 178.9657 77 A 4.1031 7.8428 120.0797 54.8101 18.1716 179.2183 78 K 4.2150 8.6248 115.5817 57.9946 32.1160 177.6752 79 G 4.0418 7.6485 107.0333 44.9738 0.0000 173.4512 80 L 4.7555 7.9697 119.6246 52.7257 44.1485 177.4232 81 R 4.2445 8.2188 121.0994 55.4210 28.0436 176.4577 82 L 4.0785 7.6425 122.1139 52.5930 42.1560 179.0519 83 E 3.5863 7.9388 117.5789 57.4594 31.1049 174.9528 84 G 3.6886 7.9371 109.1004 44.8456 0.0000 173.1576 85 L 4.0771 8.3593 127.8218 55.0239 40.5092 175.6182 86 S 4.3614 8.0523 119.0743 55.2416 63.7276 173.6477 87 P 4.2189 0.0000 0.0000 66.6172 31.0687 177.1712 88 K 3.8354 8.2840 118.8128 58.0009 31.8760 177.9198 89 E 3.9236 8.1287 117.3958 59.9515 29.6739 179.5152 90 I 3.6907 7.3321 117.8221 64.5713 36.9970 177.9109 91 K 4.0611 8.3991 120.6269 59.3645 31.8371 178.5818 92 K 4.0682 8.0799 117.9080 59.8555 32.2453 178.5679 93 E 4.3359 8.6407 116.2918 57.0624 29.5201 177.0619 94 L 4.3650 8.8795 120.6449 53.6643 41.6096 175.9681 95 L 3.6263 8.7210 132.1039 56.8280 41.8667 175.0846 *96 K 4.1330 7.8924 121.4751 54.7406 32.3453 177.2035 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 K 8.16 4.52 0.00 1.91 1.32 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 4 V 8.34 4.52 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 0.77 0.00 0.00 0.99 0.00 0.00 5 C 9.68 3.99 0.00 2.93 3.03 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 6 E 8.67 4.09 0.00 1.96 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 2.37 2.47 0.00 7 I 7.70 3.81 1.69 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.15 0.92 0.00 0.00 8 S 7.79 4.42 0.00 3.62 3.43 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 9 G 8.02 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 10 K 7.40 4.23 0.00 1.73 1.73 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.30 7.81 11 R 8.54 5.41 0.00 1.75 1.85 0.00 2.64 0.00 0.00 3.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 12 P 0.00 4.72 0.00 1.89 2.14 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 13 I 8.46 4.62 1.82 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 1.04 0.95 0.91 0.00 0.00 14 V 8.24 4.49 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 0.84 0.00 0.00 0.89 0.00 0.00 15 A 9.31 4.86 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 16 N 8.37 5.18 0.00 2.61 2.71 0.00 0.00 6.45 7.12 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 17 S 9.26 4.42 0.00 3.86 3.88 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 18 I 8.29 4.84 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.91 0.00 0.00 19 Q 8.94 4.61 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 20 R 8.51 5.22 0.00 1.64 1.78 0.00 3.15 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 21 R 8.81 4.58 0.00 1.79 1.71 0.00 3.13 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 22 G 8.87 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 23 K 8.19 4.11 0.00 1.80 1.68 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.43 7.81 24 A 8.44 4.15 1.35 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 0.00 0.00 25 K 8.36 4.30 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 26 R 7.99 4.25 0.00 1.76 1.96 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 E 7.62 4.70 0.00 1.94 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 2.24 2.29 0.00 28 G 8.34 3.87 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 0.00 0.00 0.00 29 G 8.24 3.75 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 0.00 0.00 0.00 30 V 9.64 3.11 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.10 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 32 K 8.19 4.68 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.46 7.81 33 K 8.97 4.59 0.00 1.57 1.67 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 34 T 8.65 4.48 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 1.33 0.00 0.00 35 T 9.32 4.39 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 1.23 0.00 0.00 36 G 7.12 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 37 I 7.63 4.91 1.87 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 1.40 0.52 0.95 0.00 0.00 38 S 9.14 4.84 0.00 3.85 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 39 K 8.75 5.00 0.00 1.76 1.73 0.00 1.58 0.00 0.00 2.61 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.31 7.81 40 R 8.32 4.66 0.00 1.88 1.96 0.00 2.75 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 41 R 8.42 5.02 0.00 1.14 1.67 0.00 3.05 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 42 Q 8.80 4.44 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 43 Y 8.39 4.70 0.00 2.98 2.91 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 44 P 0.00 4.54 0.00 2.19 2.06 0.00 3.92 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 2.03 1.98 0.00 45 N 8.45 4.78 0.00 2.85 2.79 0.00 0.00 7.10 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 46 L 7.75 4.66 0.00 1.56 1.58 0.96 0.95 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 47 Q 8.95 4.65 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 48 K 8.59 4.70 0.00 1.75 1.70 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.50 7.81 49 V 9.06 4.35 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 0.81 0.00 0.00 0.88 0.00 0.00 50 R 8.67 5.09 0.00 1.75 1.97 0.00 3.24 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 51 V 8.67 4.38 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 0.69 0.00 0.00 1.16 0.00 0.00 52 R 9.22 3.71 0.00 1.87 1.94 0.00 3.39 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 53 V 8.64 3.04 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 0.64 0.00 0.00 0.96 0.00 0.00 54 A 8.38 3.61 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 55 G 8.24 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 56 Q 7.63 4.18 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 57 E 8.72 5.17 0.00 1.89 1.84 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 2.36 2.17 0.00 58 I 7.91 4.40 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.59 0.86 0.00 0.00 59 T 8.08 4.88 4.19 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 1.16 0.00 0.00 60 F 9.44 5.32 0.00 2.95 2.74 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 0.00 0.00 0.00 0.00 61 R 9.48 5.16 0.00 1.85 1.90 0.00 3.11 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 62 V 8.76 4.81 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 0.59 0.00 0.00 0.87 0.00 0.00 63 A 8.72 4.59 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 64 A 8.49 4.10 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 65 S 8.15 4.25 0.00 4.02 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 66 H 7.90 4.61 0.00 3.26 3.29 0.00 5.82 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 67 I 7.85 3.47 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.61 0.87 0.00 0.00 68 P 0.00 4.26 0.00 2.27 2.36 0.00 3.73 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 2.04 2.03 0.00 69 K 7.17 3.92 0.00 1.81 2.03 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 70 V 7.82 3.75 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 0.72 0.00 0.00 0.63 0.00 0.00 71 Y 8.39 4.54 0.00 3.15 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 72 E 8.29 4.34 0.00 2.05 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 2.40 2.33 0.00 73 L 7.56 4.35 0.00 1.87 1.95 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.23 4.16 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 1.07 0.00 0.00 1.30 0.00 0.00 75 E 8.16 3.94 0.00 2.13 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 2.42 2.48 0.00 76 R 7.85 3.80 0.00 1.92 2.03 0.00 3.18 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 77 A 7.84 4.10 1.47 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 0.00 0.00 78 K 8.62 4.21 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 79 G 7.65 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 80 L 7.97 4.76 0.00 1.79 1.58 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.22 4.24 0.00 1.80 1.91 0.00 3.20 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 1.61 1.65 0.00 82 L 7.64 4.08 0.00 1.64 1.59 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.94 3.59 0.00 2.18 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 2.19 2.28 0.00 84 G 7.94 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 0.00 0.00 0.00 85 L 8.36 4.08 0.00 1.61 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.05 4.36 0.00 3.96 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 87 P 0.00 4.22 0.00 2.20 2.20 0.00 3.76 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 1.97 2.01 0.00 88 K 8.28 3.84 0.00 1.83 1.70 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 89 E 8.13 3.92 0.00 2.04 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 2.42 2.45 0.00 90 I 7.33 3.69 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.89 0.00 0.00 91 K 8.40 4.06 0.00 1.79 1.88 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.38 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.38 7.81 92 K 8.08 4.07 0.00 1.90 1.91 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.58 7.81 93 E 8.64 4.34 0.00 2.10 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 2.53 2.52 0.00 94 L 8.88 4.37 0.00 2.02 1.78 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.72 3.63 0.00 1.74 1.74 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.89 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.