NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.9000 8.4104 110.3448 62.3428 70.2315 171.4467 4 A 3.9741 8.9735 125.6068 52.3857 16.8559 177.5349 5 Y 4.4537 8.6295 110.6812 58.1664 39.8119 174.3712 6 D 4.7034 7.8969 119.4926 54.9047 42.0987 178.1944 7 V 3.7179 7.7566 120.1652 65.4486 32.8420 175.5798 8 I 4.4371 7.6701 120.8364 60.5883 37.2006 175.4671 9 L 4.6490 8.8077 127.3989 56.2903 43.2343 176.8076 10 A 4.7355 7.7492 116.9512 50.4510 22.1768 174.3121 11 P 4.2789 0.0000 0.0000 62.7117 31.9785 175.9283 12 V 2.7329 7.8949 113.1848 60.9409 30.6523 175.7114 13 L 3.5795 7.9583 119.8737 54.6340 38.1538 174.1615 14 S 4.5161 6.0857 112.9648 55.5270 66.5307 175.6481 15 E 3.9569 8.9774 123.2659 59.8166 28.8399 179.6089 16 K 3.8117 7.5230 118.7930 58.9218 31.9400 178.4301 17 A 3.5189 7.3777 120.9080 55.4229 18.6126 179.0062 18 Y 2.6187 6.6845 114.0597 60.2747 38.0390 178.0224 19 A 4.0176 7.4665 122.3006 55.5224 18.4244 180.0836 20 G 3.4888 7.4207 102.6323 47.5514 0.0000 175.5485 21 F 4.0633 7.5669 119.4445 60.2011 38.9246 177.2964 22 A 4.1632 7.3752 118.5577 54.4897 18.6363 177.2599 23 E 4.5357 7.9482 116.2082 54.6660 31.8607 177.4131 24 G 4.1793 8.3847 105.5731 46.8377 0.0000 174.1659 25 K 4.9865 8.7890 123.2899 54.8732 31.3661 174.9146 26 Y 4.7445 9.0131 121.7741 56.3653 40.6331 174.2510 27 T 5.1230 8.2395 117.4004 60.3495 70.6912 172.4796 28 F 5.2146 9.3772 126.0912 55.1947 43.9144 174.0905 29 W 4.9158 9.5559 121.9333 57.0274 29.8609 176.2369 30 V 5.0830 9.0383 118.2935 59.2397 35.0479 174.8609 31 H 4.5067 9.0894 121.5467 56.4513 29.7116 174.6752 32 P 4.1594 0.0000 0.0000 66.0247 31.5549 177.4263 33 K 4.1898 7.5579 114.5521 56.1221 31.7110 176.7865 34 A 5.1583 8.2184 122.7677 51.5560 19.4181 178.5947 35 T 4.4900 8.2481 117.3057 62.1329 71.5830 176.6393 36 K 3.9737 8.3709 121.7101 60.0995 32.0440 179.6434 37 T 3.8244 7.8689 115.5356 66.4789 68.5286 176.0348 38 E 3.9049 8.1929 119.7353 60.1286 29.5240 179.3148 39 I 3.5627 8.1074 119.6326 64.0832 37.1730 177.8864 40 K 3.7313 8.5049 120.3878 60.1953 32.0871 178.5332 41 N 4.3032 8.3301 116.0166 56.0362 38.1749 177.4061 42 A 3.7964 7.6412 121.3458 55.0665 18.7993 179.4619 43 V 3.4383 7.9071 117.0233 66.1833 31.4387 177.6548 44 E 4.2461 8.3243 119.7407 58.9780 29.1298 179.1379 45 T 4.4851 7.5354 105.7098 61.8791 69.0079 174.9003 46 A 4.6408 8.4090 121.4147 52.3291 21.2548 177.4233 47 F 4.5068 8.1812 111.2186 56.1238 41.6418 175.0367 48 K 3.9919 7.6022 119.6111 57.9821 29.5018 174.0120 49 V 4.5341 7.2004 111.6085 59.3486 35.9793 174.7141 50 K 5.3952 8.5360 122.3241 54.4301 34.0531 175.0412 51 V 4.7280 8.5067 126.5823 61.5445 32.5938 175.2873 52 V 4.2583 9.1813 127.9368 63.3861 32.8335 175.1625 53 K 4.5696 7.5785 119.0943 55.8761 35.3623 174.0006 54 V 5.0010 8.2416 123.3390 61.4554 35.2613 174.1311 55 N 5.1991 8.9982 122.5035 51.8603 42.6848 173.6376 56 T 5.2500 8.2139 112.8285 60.0789 72.3907 173.0046 57 L 4.4617 7.9909 119.5165 55.5320 43.9072 173.9174 58 H 5.0061 8.9921 118.7387 55.4235 30.8179 175.2249 59 V 4.3286 9.3417 119.5768 61.1160 33.9499 174.3599 60 R 4.6917 8.3770 128.3272 56.2067 30.7131 175.7289 61 G 4.4783 8.5796 111.8800 44.3345 0.0000 173.6546 62 K 4.1359 8.7876 125.5221 56.8934 33.3879 176.2723 63 K 4.6599 8.6968 124.4695 56.0960 32.9138 176.1979 64 K 4.6395 8.1935 125.1522 54.8255 34.9192 175.8656 65 R 4.6784 8.3742 120.6490 54.3764 33.0739 174.3706 66 L 4.6328 8.3510 125.2640 54.0003 44.9192 175.7251 67 G 3.8985 8.6807 116.2750 46.7845 0.0000 174.1940 68 R 3.9685 8.0496 118.4872 56.6495 30.3994 176.5623 69 Y 4.3802 7.2335 118.1552 57.1110 37.0421 174.0294 70 L 4.5687 8.3434 127.2505 54.3120 43.0187 175.8634 71 G 4.2682 8.2868 111.1682 45.6138 0.0000 171.3249 72 K 4.9990 8.3484 117.6757 54.5150 35.8985 177.0315 73 R 4.4305 8.7037 122.6040 54.6996 31.6503 174.4208 74 P 4.6021 0.0000 0.0000 63.5353 31.9953 175.4547 75 D 4.8605 8.5472 120.8179 54.1398 42.6381 175.5373 76 R 4.9453 8.7453 119.5585 54.4635 35.3670 173.7067 77 K 5.1713 8.7150 121.1951 54.5285 35.2423 174.6427 78 K 5.1982 9.4627 125.7978 55.1245 35.4207 174.9933 79 A 4.9910 8.8700 125.3690 50.2805 22.6566 175.5062 80 I 4.8405 8.8632 119.5765 59.7252 41.0780 174.6492 81 V 4.5874 9.2137 123.9382 60.3693 34.0144 175.5447 82 Q 4.6833 9.1895 125.8567 54.4091 30.1805 174.5569 83 V 4.3599 9.2629 128.0647 62.2072 32.3404 175.4839 84 A 4.1595 9.1309 129.7598 51.5202 19.2809 175.1306 85 P 4.1691 0.0000 0.0000 64.1259 31.8777 175.6088 86 G 4.1774 8.8555 113.0422 46.1604 0.0000 174.4387 87 Q 4.1952 7.2372 116.5452 55.2043 29.2992 176.2395 88 K 4.2524 7.7154 114.5410 56.7720 34.1767 174.8309 89 I 4.0257 6.8986 122.8801 60.2695 36.9581 176.7211 90 E 4.0173 8.8538 126.4754 59.2620 29.7893 179.5501 91 A 4.0059 8.2526 120.6393 55.3266 18.3888 178.1970 92 L 4.5243 7.3839 111.6836 55.1919 41.5278 177.4151 93 E 4.1783 7.9522 116.7994 56.5398 29.4912 177.0824 94 G 3.6570 7.6498 109.4418 47.5288 0.0000 174.5851 *95 L 4.1219 7.6113 124.7709 53.6259 41.6291 178.8202 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 T 8.41 4.90 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 4 A 8.97 3.97 1.34 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 0.00 0.00 5 Y 8.63 4.45 0.00 2.95 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 6 D 7.90 4.70 0.00 2.72 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 7 V 7.76 3.72 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 0.95 0.00 0.00 0.91 0.00 0.00 8 I 7.67 4.44 1.92 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 0.92 0.26 0.76 0.00 0.00 9 L 8.81 4.65 0.00 1.78 1.82 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.75 4.74 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 11 P 0.00 4.28 0.00 2.13 2.13 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 2.11 2.12 0.00 12 V 7.89 2.73 1.62 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 0.13 0.00 0.00 0.60 0.00 0.00 13 L 7.96 3.58 0.00 1.87 1.90 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.09 4.52 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.98 3.96 0.00 2.10 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 2.49 0.00 16 K 7.52 3.81 0.00 1.61 1.61 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.34 7.81 17 A 7.38 3.52 0.59 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 18 Y 6.68 2.62 0.00 2.88 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 19 A 7.47 4.02 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 20 G 7.42 3.49 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 0.00 21 F 7.57 4.06 0.00 3.02 2.89 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 0.00 0.00 0.00 22 A 7.38 4.16 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 23 E 7.95 4.54 0.00 2.08 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 2.24 2.27 0.00 24 G 8.38 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.79 4.99 0.00 1.69 1.70 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.50 7.81 26 Y 9.01 4.74 0.00 3.10 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 27 T 8.24 5.12 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 0.89 0.00 0.00 28 F 9.38 5.21 0.00 2.84 3.09 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 0.00 0.00 0.00 0.00 29 W 9.56 4.92 0.00 3.54 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 30 V 9.04 5.08 2.25 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 0.77 0.00 0.00 1.01 0.00 0.00 31 H 9.09 4.51 0.00 3.45 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.85 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 4.16 0.00 2.21 2.16 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 33 K 7.56 4.19 0.00 1.68 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 34 A 8.22 5.16 1.29 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 35 T 8.25 4.49 4.32 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 1.24 0.00 0.00 36 K 8.37 3.97 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.47 7.81 37 T 7.87 3.82 4.23 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 1.20 0.00 0.00 38 E 8.19 3.90 0.00 2.23 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 0.00 2.41 2.44 0.00 39 I 8.11 3.56 2.02 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 1.75 0.84 0.81 0.00 0.00 40 K 8.50 3.73 0.00 1.74 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 41 N 8.33 4.30 0.00 2.77 2.81 0.00 0.00 7.02 6.88 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 42 A 7.64 3.80 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 43 V 7.91 3.44 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 0.78 0.00 0.00 0.30 0.00 0.00 44 E 8.32 4.25 0.00 2.23 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 2.54 2.35 0.00 45 T 7.54 4.49 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 1.22 0.00 0.00 46 A 8.41 4.64 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 47 F 8.18 4.51 0.00 2.85 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 48 K 7.60 3.99 0.00 1.77 1.90 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 49 V 7.20 4.53 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 1.03 0.00 0.00 0.92 0.00 0.00 50 K 8.54 5.40 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.21 7.81 51 V 8.51 4.73 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 0.89 0.00 0.00 0.89 0.00 0.00 52 V 9.18 4.26 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 0.79 0.00 0.00 0.96 0.00 0.00 53 K 7.58 4.57 0.00 1.84 1.58 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.40 7.81 54 V 8.24 5.00 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 0.86 0.00 0.00 0.91 0.00 0.00 55 N 9.00 5.20 0.00 2.81 2.61 0.00 0.00 6.62 7.09 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 56 T 8.21 5.25 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 1.20 0.00 0.00 57 L 7.99 4.46 0.00 1.64 1.75 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.99 5.01 0.00 3.10 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.34 4.33 2.32 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 1.05 0.00 0.00 1.22 0.00 0.00 60 R 8.38 4.69 0.00 1.88 1.85 0.00 3.11 0.00 0.00 3.79 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 61 G 8.58 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.14 0.00 1.72 1.77 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 63 K 8.70 4.66 0.00 1.95 1.86 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.47 7.81 64 K 8.19 4.64 0.00 1.58 1.76 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81 65 R 8.37 4.68 0.00 1.72 1.75 0.00 3.26 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 66 L 8.35 4.63 0.00 1.74 1.55 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.68 3.90 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 0.00 0.00 0.00 68 R 8.05 3.97 0.00 1.68 1.82 0.00 2.58 0.00 0.00 2.82 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 69 Y 7.23 4.38 0.00 3.26 2.96 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 70 L 8.34 4.57 0.00 1.61 1.58 0.92 1.03 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 71 G 8.29 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 72 K 8.35 5.00 0.00 1.57 1.66 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.49 7.81 73 R 8.70 4.43 0.00 1.73 1.78 0.00 3.12 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 74 P 0.00 4.60 0.00 2.00 2.02 0.00 3.69 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 1.88 1.94 0.00 75 D 8.55 4.86 0.00 2.69 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 0.00 0.00 0.00 0.00 76 R 8.75 4.95 0.00 1.31 1.49 0.00 2.94 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.45 0.00 77 K 8.72 5.17 0.00 1.75 1.65 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.36 7.81 78 K 9.46 5.20 0.00 1.20 1.65 0.00 0.63 0.00 0.00 1.37 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.17 7.81 79 A 8.87 4.99 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 80 I 8.86 4.84 1.79 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 1.22 1.66 0.90 0.00 0.00 81 V 9.21 4.59 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 0.56 0.00 0.00 1.22 0.00 0.00 82 Q 9.19 4.68 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 83 V 9.26 4.36 2.22 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 0.89 0.00 0.00 0.99 0.00 0.00 84 A 9.13 4.16 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 85 P 0.00 4.17 0.00 2.20 2.14 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 86 G 8.86 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.24 4.20 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 88 K 7.72 4.25 0.00 1.99 1.87 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.53 7.81 89 I 6.90 4.03 0.82 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 1.17 0.47 1.17 0.00 0.00 90 E 8.85 4.02 0.00 1.99 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 2.40 2.26 0.00 91 A 8.25 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.38 4.52 0.00 1.60 1.53 0.55 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.95 4.18 0.00 2.14 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 2.56 2.39 0.00 94 G 7.65 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 0.00 0.00 0.00 *95 L 7.61 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.