NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2440 7.8833 121.4005 61.2797 38.9407 173.9211 3 V 4.8032 8.4150 120.3909 58.9459 34.6395 173.6537 4 T 4.7524 8.6006 119.0158 60.6918 71.3618 173.6907 5 T 4.8268 9.0218 116.9972 62.2683 69.4622 174.0772 6 T 4.6257 7.7029 113.0270 60.3284 70.9647 175.9551 7 S 4.2545 8.8466 117.1493 60.4619 62.7105 173.4244 8 G 4.1732 7.5441 106.5926 45.1716 0.0000 171.7830 9 I 4.4594 8.0080 119.1124 59.1471 39.4369 175.4020 10 Q 4.1181 8.6438 125.1522 56.8844 29.1091 176.4297 11 G 3.9576 9.2423 111.7262 44.9380 0.0000 173.2527 12 K 4.3940 7.0915 117.3363 54.0034 32.8704 175.8117 13 E 4.1472 8.3589 121.3530 55.7164 30.4929 176.9598 14 I 4.0006 7.9479 121.0769 60.5734 37.5933 176.1209 15 I 3.9627 8.3055 127.5890 63.7613 37.7435 176.6222 16 E 4.5569 7.6542 121.7135 54.6435 33.2111 173.8118 17 Y 4.0176 8.7194 124.7738 57.3539 37.6742 175.2433 18 I 4.0624 8.6561 126.8210 62.3025 36.8886 176.1082 19 D 4.6675 7.5137 118.5152 53.2657 45.4297 173.8811 20 I 4.4323 8.3174 122.9345 61.3078 37.6636 176.2295 21 V 4.5181 8.8323 120.8776 60.0309 34.3395 174.7018 22 N 5.5228 8.5099 118.5241 52.2032 42.9571 173.8923 23 G 4.6139 8.7026 106.1516 45.7186 0.0000 171.6606 24 E 5.6258 9.2511 119.8232 54.8375 34.4010 174.4191 25 A 4.4732 8.2033 119.4779 51.7368 21.7821 176.6004 26 I 4.9165 7.6135 122.7490 59.1448 39.6420 175.2477 *28 G 3.6930 8.3278 109.6179 46.0117 0.0000 173.2911 29 A 3.7919 8.6335 124.2772 55.0241 18.3863 177.5882 30 N 4.7369 7.7903 116.4901 56.6545 39.0405 172.5494 31 I 3.6396 8.8334 130.3913 62.2797 34.2659 176.2134 32 V 3.5471 8.1862 120.2724 66.2066 29.7862 178.1665 33 R 3.9712 8.5655 118.6759 59.0640 29.5910 178.0106 34 D 4.2054 7.9420 116.9590 57.1777 41.8275 177.3726 35 L 4.4175 8.5743 118.8958 56.2195 42.0793 178.7601 36 F 3.9648 8.3061 115.9482 59.2542 39.2329 176.6850 37 A 4.1295 7.4469 121.2686 53.8065 18.3396 177.5463 38 S 4.2450 7.1481 111.4849 58.7143 63.6503 170.0054 39 V 3.5316 8.3458 127.7309 63.1881 31.6580 171.3068 40 R 4.5872 8.5386 124.3017 56.1597 32.8640 175.8763 41 D 4.6904 8.4309 112.8467 54.1865 41.2048 176.6724 42 V 4.3246 8.9371 115.5187 61.0369 34.5858 173.4284 43 V 4.3849 8.3072 126.3366 60.9039 33.3168 175.4043 44 G 4.0201 8.5342 115.8681 44.5168 0.0000 174.5807 45 G 3.4685 8.5581 107.9991 47.9984 0.0000 175.2249 46 R 3.9029 8.1080 115.6662 58.6245 29.5543 176.7078 47 A 4.7988 7.2643 118.4830 50.3026 19.2997 174.4229 48 G 4.0329 7.3100 114.3625 44.3079 0.0000 171.7327 49 S 4.5300 8.2421 111.9883 57.9286 67.3488 175.3193 50 Y 3.9052 7.5446 118.7937 59.0887 37.6057 177.2096 51 E 3.6589 6.9316 121.0519 59.0751 29.7253 178.4004 52 S 4.2345 7.9248 113.8008 61.8986 62.6359 176.7556 53 K 4.0469 7.9451 121.5836 58.6499 31.8812 178.9907 54 L 4.1526 8.1806 120.6791 58.2505 42.1307 178.9766 55 K 3.9694 9.1237 120.6910 59.3737 32.1459 178.3143 56 E 3.9304 8.3110 119.5236 59.2129 29.5749 178.7312 57 A 4.0322 8.2545 120.8700 55.1315 18.2465 179.6286 58 R 3.8483 8.1710 116.4644 59.7802 30.2948 178.2161 59 D 4.5093 8.0787 117.5196 57.2036 40.9428 178.6835 60 I 3.9046 7.7291 119.7434 64.2309 37.2546 178.7367 61 A 4.0745 7.6960 118.0136 53.4084 18.1240 178.6630 *63 D 4.4580 7.9881 121.4618 55.8144 42.8847 178.1384 64 E 4.0062 8.3186 115.8290 57.2612 29.4182 178.2310 *66 K 4.2207 8.1135 118.5489 56.1296 34.2991 177.6395 67 E 3.8886 8.5691 119.3606 59.3238 29.5663 178.6488 68 L 3.9166 8.0967 120.0644 58.0283 42.0808 178.8044 69 A 3.9595 7.9483 120.1872 55.0925 18.4059 179.0639 70 K 3.7688 8.3913 117.3961 60.2570 31.9807 179.0512 71 Q 4.0542 8.0391 116.7375 59.1285 28.8437 178.9104 72 K 4.2782 7.7008 116.1128 56.8641 32.2982 177.9961 73 G 3.8748 8.2848 108.2857 45.0142 0.0000 173.8886 74 A 4.2022 7.7863 122.4210 52.1508 18.8117 177.4052 75 N 5.1545 8.5859 115.9154 52.2284 38.7179 173.8386 76 A 4.8562 7.6912 119.6771 51.2187 23.1875 175.4347 77 I 4.9508 8.9561 120.7739 59.6823 40.5199 175.6219 78 V 4.6375 8.4853 119.6884 58.9156 35.3692 175.4228 79 G 4.1128 8.9536 107.7053 46.7251 0.0000 173.7698 80 V 4.2209 7.7009 118.8864 62.2288 33.3150 174.3533 81 D 5.0722 9.1856 127.2269 52.3619 44.2838 174.5418 82 V 4.6696 8.4855 125.6465 61.3612 32.9031 173.9452 83 D 5.0524 8.8963 127.5891 51.6125 43.0435 174.3157 84 Y 5.0558 8.4343 115.2966 56.2701 41.6846 175.2590 85 E 4.4912 8.6357 121.2643 54.7622 33.4803 175.4543 86 V 4.1292 8.5467 125.5997 61.9105 30.0590 175.7228 87 V 3.8062 7.9863 119.0222 63.0330 32.2758 175.9051 88 R 4.5646 7.3480 118.1960 55.2501 32.4516 173.3899 89 D 4.3950 9.0160 115.1336 57.7820 40.9710 177.3370 90 G 3.6416 7.5612 105.2097 44.9232 0.0000 170.6919 *92 L 4.4341 8.2105 118.7684 54.6202 43.1844 174.8783 *94 V 4.1392 7.9934 116.0180 61.6873 32.9274 174.1391 95 A 5.1398 8.7401 127.0752 49.9695 21.8620 175.0021 96 V 4.9351 8.8150 116.4111 59.5479 34.6125 175.2243 97 S 5.1250 8.9690 118.2446 56.5269 67.1126 172.8931 98 G 4.2195 7.7387 107.0133 46.5781 0.0000 171.8336 99 T 5.0731 8.2392 116.9025 61.2985 70.6315 174.4836 100 A 4.4651 9.0234 130.4664 52.1510 19.4907 176.3431 101 V 4.7563 9.0663 122.6314 61.0426 35.8561 174.0165 102 R 5.1246 8.5099 126.8246 54.4042 32.2910 175.9969 103 I 4.0089 8.7897 119.5827 60.9551 37.6559 175.2536 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 2 I 7.88 4.24 1.86 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 0.54 0.90 0.00 0.00 3 V 8.41 4.80 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 0.66 0.00 0.00 0.93 0.00 0.00 4 T 8.60 4.75 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 1.32 0.00 0.00 5 T 9.02 4.83 4.30 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 1.22 0.00 0.00 6 T 7.70 4.63 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 1.22 0.00 0.00 7 S 8.85 4.25 0.00 3.87 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 8 G 7.54 4.17 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 0.00 9 I 8.01 4.46 1.86 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 1.41 0.97 0.90 0.00 0.00 10 Q 8.64 4.12 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 11 G 9.24 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 0.00 0.00 0.00 12 K 7.09 4.39 0.00 1.82 1.72 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.32 7.81 13 E 8.36 4.15 0.00 2.05 1.95 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 2.27 2.38 0.00 14 I 7.95 4.00 1.62 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 1.23 0.48 0.03 0.00 0.00 15 I 8.31 3.96 1.96 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 1.09 0.31 0.88 0.00 0.00 16 E 7.65 4.56 0.00 1.95 1.66 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 2.28 2.34 0.00 17 Y 8.72 4.02 0.00 2.90 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 18 I 8.66 4.06 2.01 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 1.23 0.59 0.92 0.00 0.00 19 D 7.51 4.67 0.00 2.78 2.47 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 20 I 8.32 4.43 1.88 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 1.36 0.67 0.96 0.00 0.00 21 V 8.83 4.52 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 0.87 0.00 0.00 0.99 0.00 0.00 22 N 8.51 5.52 0.00 2.53 2.64 0.00 0.00 6.68 7.65 0.00 0.00 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 G 8.70 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 0.00 0.00 0.00 0.00 24 E 9.25 5.63 0.00 1.79 1.92 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 2.23 2.13 0.00 25 A 8.20 4.47 1.24 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 26 I 7.61 4.92 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 1.30 1.10 0.91 0.00 0.00 *28 G 8.33 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 29 A 8.63 3.79 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 30 N 7.79 4.74 0.00 2.69 2.79 0.00 0.00 7.11 7.94 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 31 I 8.83 3.64 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 1.03 0.00 0.00 32 V 8.19 3.55 2.19 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 0.82 0.00 0.00 0.69 0.00 0.00 33 R 8.57 3.97 0.00 1.90 1.98 0.00 3.32 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 34 D 7.94 4.21 0.00 2.78 2.86 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 35 L 8.57 4.42 0.00 1.96 1.67 0.97 1.10 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 36 F 8.31 3.96 0.00 3.28 3.02 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 37 A 7.45 4.13 1.40 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 0.00 0.00 38 S 7.15 4.24 0.00 4.10 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 39 V 8.35 3.53 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 0.79 0.00 0.00 0.97 0.00 0.00 40 R 8.54 4.59 0.00 1.82 1.93 0.00 3.37 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 41 D 8.43 4.69 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 42 V 8.94 4.32 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 0.87 0.00 0.00 0.93 0.00 0.00 43 V 8.31 4.38 2.16 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 0.99 0.00 0.00 0.95 0.00 0.00 44 G 8.53 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 45 G 8.56 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 0.00 0.00 0.00 46 R 8.11 3.90 0.00 1.89 2.09 0.00 2.97 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 47 A 7.26 4.80 1.27 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 48 G 7.31 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 49 S 8.24 4.53 0.00 3.80 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 50 Y 7.54 3.91 0.00 1.43 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 51 E 6.93 3.66 0.00 1.41 1.69 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 2.21 2.10 0.00 52 S 7.92 4.23 0.00 4.05 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 K 7.95 4.05 0.00 2.06 2.06 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.52 7.81 54 L 8.18 4.15 0.00 2.27 1.96 1.17 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.12 3.97 0.00 2.13 1.80 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.54 7.81 56 E 8.31 3.93 0.00 2.29 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 2.33 2.35 0.00 57 A 8.25 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 3.85 0.00 2.05 2.03 0.00 3.35 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 59 D 8.08 4.51 0.00 2.76 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 60 I 7.73 3.90 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.92 0.00 0.00 61 A 7.70 4.07 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 *63 D 7.99 4.46 0.00 2.91 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 64 E 8.32 4.01 0.00 1.97 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 2.30 2.29 0.00 *66 K 8.11 4.22 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 E 8.57 3.89 0.00 2.01 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 0.00 2.31 2.32 0.00 68 L 8.10 3.92 0.00 1.89 1.65 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.95 3.96 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 70 K 8.39 3.77 0.00 1.95 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 71 Q 8.04 4.05 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 72 K 7.70 4.28 0.00 1.89 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 73 G 8.28 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 74 A 7.79 4.20 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 75 N 8.59 5.15 0.00 2.69 2.84 0.00 0.00 6.66 7.06 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 76 A 7.69 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 77 I 8.96 4.95 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 1.23 0.83 0.96 0.00 0.00 78 V 8.49 4.64 2.26 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 0.72 0.00 0.00 1.02 0.00 0.00 79 G 8.95 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.70 4.22 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 0.88 0.00 0.00 0.93 0.00 0.00 81 D 9.19 5.07 0.00 2.72 2.43 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 82 V 8.49 4.67 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 0.62 0.00 0.00 0.90 0.00 0.00 83 D 8.90 5.05 0.00 2.77 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 84 Y 8.43 5.06 0.00 2.81 2.84 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 0.00 0.00 0.00 85 E 8.64 4.49 0.00 1.84 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 0.00 2.40 2.22 0.00 86 V 8.55 4.13 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 0.80 0.00 0.00 0.89 0.00 0.00 87 V 7.99 3.81 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 0.72 0.00 0.00 0.92 0.00 0.00 88 R 7.35 4.56 0.00 1.68 1.84 0.00 3.39 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 89 D 9.02 4.40 0.00 2.69 2.70 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 0.00 0.00 0.00 0.00 90 G 7.56 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 *92 L 8.21 4.43 0.00 1.51 1.51 0.82 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *94 V 7.99 4.14 2.16 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 0.73 0.00 0.00 0.75 0.00 0.00 95 A 8.74 5.14 1.17 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 96 V 8.82 4.94 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 0.72 0.00 0.00 0.98 0.00 0.00 97 S 8.97 5.12 0.00 3.83 4.05 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 98 G 7.74 4.22 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 0.00 0.00 0.00 99 T 8.24 5.07 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 1.42 0.00 0.00 100 A 9.02 4.47 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 0.00 101 V 9.07 4.76 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 0.79 0.00 0.00 0.73 0.00 0.00 102 R 8.51 5.12 0.00 1.88 1.69 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 103 I 8.79 4.01 1.83 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 0.79 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.