NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5896 8.3293 117.6196 57.2245 30.6323 174.7164 11 P 4.4610 0.0000 0.0000 64.0994 32.4653 174.5433 12 L 5.0589 7.7289 121.9048 53.4983 45.0667 176.2242 13 M 4.9515 9.1317 125.5351 53.6648 36.2440 173.9165 14 V 4.8236 8.1753 122.9168 60.9118 35.0096 174.1080 15 K 4.9732 8.9889 128.0968 54.5755 35.6582 174.7789 16 V 4.7965 8.7609 126.3397 61.0873 34.6527 174.1483 17 L 5.0157 8.8732 126.7841 52.8737 46.0835 174.8357 18 D 5.1914 9.0684 121.4330 52.7737 42.6608 176.4305 19 A 4.3842 9.3000 128.2110 53.3970 18.7395 178.4848 20 V 3.9044 8.5477 114.7876 65.1495 32.0452 177.0760 21 R 4.2629 8.8412 116.6219 55.7351 30.9686 176.0971 22 G 3.8674 8.3028 105.3462 45.7908 0.0000 172.6384 23 S 4.7403 7.3629 111.3977 55.9010 67.1879 172.9251 24 P 4.5801 0.0000 0.0000 62.8512 31.8229 176.3402 25 A 4.3249 8.6790 125.1353 50.9871 19.5333 176.3645 26 I 4.3053 8.3637 122.4642 61.3148 39.0317 175.7487 27 N 4.2217 8.5727 121.4511 54.3572 36.6855 174.3222 28 V 4.0715 7.6781 118.2098 62.0084 33.0144 174.9579 29 A 4.6534 8.5568 129.7690 51.8732 20.0207 176.1366 30 V 4.7509 8.7876 121.5331 61.3558 35.0869 173.8779 31 H 5.1646 9.2546 124.6930 53.8673 31.9450 172.8568 32 V 4.8430 8.8232 122.9548 61.1656 34.0814 174.3731 33 F 5.5483 9.3627 125.2048 55.7560 43.3504 173.6961 34 R 4.7695 9.1165 121.5216 54.1660 32.8277 174.7833 35 K 3.9858 8.6162 127.7906 56.1397 32.8380 176.5737 36 A 4.4022 8.5181 130.4945 50.1694 20.8160 177.6150 37 A 3.8557 8.4499 122.1034 55.3936 18.2906 178.3639 38 D 4.5367 7.8625 112.2451 53.4192 39.5819 176.8583 39 D 4.4070 8.0581 118.6757 54.6106 39.1984 174.2556 40 T 4.1850 7.5808 110.3226 60.5464 71.2988 173.6572 41 W 5.1359 8.4154 121.8791 55.5378 30.2792 175.7087 42 E 4.8021 9.2505 125.6682 54.0202 30.9582 174.1165 43 P 4.4369 0.0000 0.0000 63.8547 31.5132 175.2211 44 F 4.8459 8.7975 124.0455 59.5169 41.7406 174.5741 45 A 4.5165 7.6959 117.0011 51.5958 22.2967 174.8398 46 S 4.5843 7.5888 112.8663 57.6057 66.0589 173.6231 47 G 3.9294 7.4597 105.7362 46.4179 0.0000 171.7870 48 K 5.2822 8.4196 118.3568 54.2334 35.3407 176.9957 49 T 4.2384 8.5378 114.5122 61.8685 70.2960 174.8802 50 S 4.7534 8.6729 118.5388 57.4252 64.8186 174.5692 51 E 3.9999 8.6597 118.9090 58.8847 29.1280 177.9865 52 S 4.4135 7.9979 112.1709 57.7119 63.6107 175.0547 53 G 3.8584 8.3625 109.9113 45.2241 0.0000 172.6875 54 E 5.0087 7.4776 118.5400 54.1724 32.9135 175.0891 55 L 4.7618 8.6919 124.1987 53.9433 44.5622 175.1011 56 H 4.8809 8.8613 123.0119 54.6651 31.5866 174.9498 57 G 3.8724 8.7431 106.6093 46.3337 0.0000 174.9687 58 L 3.9807 7.8940 121.4864 57.4870 41.7203 176.5163 59 T 4.4324 7.2726 109.9543 61.3315 70.4076 171.4591 60 T 4.7284 8.1869 113.7996 59.8059 71.7333 175.3036 61 E 4.1270 8.8948 117.9333 59.1324 29.9046 178.4416 62 E 4.2151 8.3026 119.0937 58.9949 29.8536 177.5457 63 E 4.3403 7.9438 117.0243 58.2086 30.3668 177.1824 64 F 4.9015 8.0261 123.0968 57.0227 37.7040 174.9984 65 V 3.9899 7.3981 116.6722 60.0053 32.9932 176.0984 66 E 4.1281 7.9924 120.3765 55.6991 30.0067 177.4001 67 G 3.7803 7.8672 108.9127 46.5661 0.0000 170.3120 68 I 4.7982 7.1483 120.0504 59.8390 39.2419 175.0028 69 Y 5.1628 8.5748 123.9631 55.8945 41.9034 174.3642 70 K 4.8995 9.0618 123.3156 54.5429 35.3450 174.7438 71 V 4.7716 9.0759 127.6981 61.3310 33.8033 173.8313 72 E 5.0107 9.5336 128.3767 54.7280 31.9067 174.9570 73 I 4.5435 8.8165 126.1175 59.4164 39.8426 175.6906 74 D 4.8447 8.7914 129.2424 53.5794 37.7773 176.5747 75 T 3.9767 7.7564 114.6832 63.9552 69.4452 176.5720 76 K 4.0866 8.1433 122.0905 59.7716 32.3141 178.7982 77 S 4.1755 8.2961 114.9441 61.4951 62.8208 176.0361 78 Y 3.9257 7.5966 121.0144 60.6258 38.5577 178.4058 79 W 4.3890 8.1642 119.7447 59.7063 29.1504 178.7194 80 K 4.0445 8.4661 118.3670 59.4742 31.2558 179.2344 81 A 4.0509 7.8868 120.0644 54.4433 18.3477 178.7012 82 L 4.3159 7.1955 114.2590 54.5425 42.0431 177.5094 83 G 3.9221 7.9212 107.1686 45.7855 0.0000 173.1407 84 I 4.4409 7.6611 119.4755 58.8911 39.3942 175.4595 85 S 4.3165 8.7015 120.1193 57.2065 62.3685 171.6774 86 P 4.6055 0.0000 0.0000 61.2882 33.3725 175.2911 87 F 4.0499 8.2489 120.9616 60.5556 39.6447 176.0872 88 H 4.4606 7.8772 115.8074 54.9573 29.5661 175.4263 89 E 4.0344 8.6593 122.7680 59.6689 29.4833 176.2380 90 H 4.7921 7.6440 110.3440 55.9220 31.4257 172.7082 91 A 4.4346 8.5655 120.4173 50.0408 21.0990 175.6486 92 E 5.0552 8.7571 120.6300 54.4105 33.0824 175.5192 93 V 4.4667 8.9572 124.0338 61.1261 34.3427 174.1473 94 V 5.1590 8.6577 127.9203 61.1333 33.6754 174.3433 95 F 5.1609 8.9711 121.4597 56.1490 41.9032 172.9142 96 T 4.9241 8.6907 116.0294 62.1850 69.5664 174.2346 97 A 4.5916 8.8510 128.7422 51.2318 20.6132 175.8222 98 N 5.3822 9.0735 119.7144 51.4957 41.6622 175.8292 99 D 4.5531 9.6272 126.1421 57.5272 41.4432 178.8638 100 S 4.2392 8.3538 115.3493 61.0145 62.2865 180.2676 101 G 3.9170 7.3949 107.2637 43.5241 0.0000 170.9561 102 P 4.2528 0.0000 0.0000 62.4647 31.8648 176.4333 103 R 4.5134 8.3431 114.7743 56.9420 31.1549 176.4564 104 R 4.8833 8.0607 119.8113 54.5555 32.6805 174.6283 105 Y 4.9853 9.3233 122.1637 56.5337 40.5378 174.7122 106 T 4.9008 8.9668 121.7477 61.8399 71.3626 173.2984 107 I 4.6932 8.6230 127.7592 59.6380 39.2569 174.5670 108 A 5.2823 8.8946 128.9018 49.9766 22.1602 174.7481 109 A 5.1934 8.9277 122.2144 50.0283 22.8922 174.6449 110 L 4.9562 9.0670 124.7256 53.3419 44.4077 174.9136 111 L 5.3906 8.9974 126.7629 53.3682 43.8463 175.8686 112 S 5.2157 9.3139 118.6175 55.9860 67.0634 173.4274 113 P 3.1997 0.0000 0.0000 65.2135 31.0595 177.8571 114 Y 4.7823 7.8642 111.7633 57.3362 38.6581 174.9377 115 S 4.7591 8.0044 113.7194 57.3571 65.7077 172.2963 116 Y 5.4949 7.7342 121.7619 55.8206 41.1009 174.0557 117 S 4.9476 9.1433 115.8694 57.1851 66.7468 173.1522 118 T 5.2061 8.4443 116.1449 61.0031 70.6020 172.4619 119 T 4.8548 8.9203 120.4496 60.5480 71.7505 171.9034 120 A 5.1275 8.5206 125.7732 49.9660 21.9486 175.5982 121 V 4.2335 8.7211 122.1577 60.9932 34.0561 174.4529 122 V 4.7577 8.3841 127.9927 61.2651 33.5094 174.4740 123 T 4.5797 8.6033 119.8890 60.3503 72.7101 174.7214 *124 N 4.5107 8.5671 118.1146 52.6919 38.3806 175.4084 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 10 C 8.33 4.59 0.00 2.75 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 11 P 0.00 4.46 0.00 2.26 2.50 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 12 L 7.73 5.06 0.00 0.73 1.08 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.13 4.95 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.54 0.00 14 V 8.18 4.82 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 0.96 0.00 0.00 0.88 0.00 0.00 15 K 8.99 4.97 0.00 1.76 1.53 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 V 8.76 4.80 1.88 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 0.73 0.00 0.00 0.80 0.00 0.00 17 L 8.87 5.02 0.00 1.59 1.50 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.07 5.19 0.00 2.63 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 19 A 9.30 4.38 1.43 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 0.00 0.00 20 V 8.55 3.90 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 0.96 0.00 0.00 1.02 0.00 0.00 21 R 8.84 4.26 0.00 1.92 2.03 0.00 3.39 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.07 0.00 22 G 8.30 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 23 S 7.36 4.74 0.00 3.88 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 24 P 0.00 4.58 0.00 1.94 2.15 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 25 A 8.68 4.32 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.31 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.91 0.00 0.00 27 N 8.57 4.22 0.00 2.91 2.92 0.00 0.00 6.90 7.26 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 28 V 7.68 4.07 1.90 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 0.75 0.00 0.00 0.56 0.00 0.00 29 A 8.56 4.65 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 30 V 8.79 4.75 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 0.91 0.00 0.00 0.85 0.00 0.00 31 H 9.25 5.16 0.00 3.04 2.65 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.82 4.84 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 1.16 0.00 0.00 0.94 0.00 0.00 33 F 9.36 5.55 0.00 2.97 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 34 R 9.12 4.77 0.00 1.36 1.70 0.00 2.47 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.22 0.00 35 K 8.62 3.99 0.00 1.03 1.28 0.00 0.87 0.00 0.00 1.29 0.00 0.00 2.54 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.98 0.49 7.81 36 A 8.52 4.40 1.23 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 0.00 0.00 37 A 8.45 3.86 1.23 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 0.00 0.00 38 D 7.86 4.54 0.00 2.74 2.72 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 0.00 0.00 0.00 39 D 8.06 4.41 0.00 2.99 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 40 T 7.58 4.18 4.20 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 1.20 0.00 0.00 41 W 8.42 5.14 0.00 2.96 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 42 E 9.25 4.80 0.00 2.02 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 2.29 2.46 0.00 43 P 0.00 4.44 0.00 2.01 2.05 0.00 3.78 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 2.18 2.42 0.00 44 F 8.80 4.85 0.00 3.06 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 45 A 7.70 4.52 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 0.00 0.00 0.00 0.00 0.00 46 S 7.59 4.58 0.00 3.63 3.58 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 47 G 7.46 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 48 K 8.42 5.28 0.00 1.57 1.65 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.30 7.81 49 T 8.54 4.24 4.15 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 0.00 0.00 1.15 0.00 0.00 50 S 8.67 4.75 0.00 4.01 4.12 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 0.00 0.00 0.00 51 E 8.66 4.00 0.00 1.97 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 2.24 0.00 52 S 8.00 4.41 0.00 3.98 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 53 G 8.36 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 54 E 7.48 5.01 0.00 1.74 1.65 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 0.00 2.17 2.37 0.00 55 L 8.69 4.76 0.00 1.62 1.40 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.86 4.88 0.00 3.00 3.16 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.74 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 58 L 7.89 3.98 0.00 1.55 1.69 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.27 4.43 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 1.03 0.00 0.00 60 T 8.19 4.73 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 1.21 0.00 0.00 61 E 8.89 4.13 0.00 2.01 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 1.88 0.00 62 E 8.30 4.22 0.00 2.22 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 2.29 1.91 0.00 63 E 7.94 4.34 0.00 2.12 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 0.00 2.37 2.29 0.00 64 F 8.03 4.90 0.00 3.09 3.05 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 65 V 7.40 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 0.81 0.00 0.00 0.96 0.00 0.00 66 E 7.99 4.13 0.00 1.81 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 2.42 2.28 0.00 67 G 7.87 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 68 I 7.15 4.80 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 1.03 0.00 0.00 69 Y 8.57 5.16 0.00 1.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.90 0.00 0.79 0.86 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.04 7.81 71 V 9.08 4.77 2.18 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 1.02 0.00 0.00 1.13 0.00 0.00 72 E 9.53 5.01 0.00 2.17 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 2.09 2.27 0.00 73 I 8.82 4.54 1.72 0.00 0.00 0.76 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 0.68 0.77 0.00 0.00 74 D 8.79 4.84 0.00 2.80 2.57 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 75 T 7.76 3.98 4.45 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 1.15 0.00 0.00 76 K 8.14 4.09 0.00 2.19 1.90 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.60 7.81 77 S 8.30 4.18 0.00 4.05 3.92 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 78 Y 7.60 3.93 0.00 2.91 2.80 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 79 W 8.16 4.39 0.00 3.51 3.34 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 0.00 80 K 8.47 4.04 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 81 A 7.89 4.05 1.25 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 0.00 0.00 0.00 82 L 7.20 4.32 0.00 1.88 1.74 0.41 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.92 3.92 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 0.00 0.00 0.00 84 I 7.66 4.44 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.76 0.00 0.00 85 S 8.70 4.32 0.00 3.87 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 86 P 0.00 4.61 0.00 2.28 2.11 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 87 F 8.25 4.05 0.00 1.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.88 4.46 0.00 3.29 3.46 0.00 5.95 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 89 E 8.66 4.03 0.00 1.75 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 0.00 2.18 2.15 0.00 90 H 7.64 4.79 0.00 3.23 3.24 0.00 5.10 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.57 4.43 0.41 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 92 E 8.76 5.06 0.00 1.87 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 0.00 2.07 2.22 0.00 93 V 8.96 4.47 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 1.04 0.00 0.00 0.98 0.00 0.00 94 V 8.66 5.16 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 1.17 0.00 0.00 0.89 0.00 0.00 95 F 8.97 5.16 0.00 3.19 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 96 T 8.69 4.92 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 1.23 0.00 0.00 97 A 8.85 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.07 5.38 0.00 2.88 2.75 0.00 0.00 6.65 8.12 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 99 D 9.63 4.55 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.24 0.00 3.63 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 0.00 101 G 7.39 3.92 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 0.00 0.00 0.00 102 P 0.00 4.25 0.00 1.84 2.04 0.00 3.60 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 2.06 2.06 0.00 103 R 8.34 4.51 0.00 2.15 2.10 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 104 R 8.06 4.88 0.00 1.72 1.87 0.00 3.32 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 105 Y 9.32 4.99 0.00 2.88 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 0.00 106 T 8.97 4.90 4.20 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 1.17 0.00 0.00 107 I 8.62 4.69 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.88 0.00 0.00 108 A 8.89 5.28 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 0.00 109 A 8.93 5.19 1.16 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 0.00 0.00 110 L 9.07 4.96 0.00 1.79 1.59 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.00 5.39 0.00 1.79 1.99 0.51 0.90 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 0.00 112 S 9.31 5.22 0.00 3.89 3.72 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 0.00 0.00 0.00 113 P 0.00 3.20 0.00 2.08 1.65 0.00 3.31 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.61 0.00 114 Y 7.86 4.78 0.00 2.75 2.78 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 0.00 115 S 8.00 4.76 0.00 3.84 3.70 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 0.00 116 Y 7.73 5.49 0.00 3.09 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 0.00 117 S 9.14 4.95 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.44 5.21 4.41 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 1.34 0.00 0.00 119 T 8.92 4.85 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 1.21 0.00 0.00 120 A 8.52 5.13 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 0.00 0.00 0.00 0.00 0.00 121 V 8.72 4.23 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 0.95 0.00 0.00 0.90 0.00 0.00 122 V 8.38 4.76 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 0.24 0.00 0.00 0.71 0.00 0.00 123 T 8.60 4.58 4.20 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 1.16 0.00 0.00 *124 N 8.57 4.51 0.00 2.49 2.67 0.00 0.00 6.56 7.56 0.00 0.00 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.