NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4146 0.0000 0.0000 62.1201 33.0782 178.3726 5 I 3.5150 8.2364 122.0204 64.6909 37.3443 176.0928 6 L 4.7391 7.8013 121.2952 54.0436 43.2595 176.8729 7 K 4.0827 7.6577 119.8144 56.5056 32.0339 179.4240 8 D 4.7505 8.9064 121.4693 53.5303 38.9903 174.2229 9 V 3.8880 7.6733 121.0669 62.4910 32.9258 174.8357 10 V 4.8176 9.0781 128.5921 61.3538 33.4652 173.7250 11 A 5.1929 9.1519 131.1373 50.5802 21.3905 174.6725 12 Y 5.0094 8.8981 123.4355 55.6989 41.4485 174.3648 13 V 4.4645 7.7515 126.1515 61.1755 33.6966 175.0570 14 E 4.5560 9.2089 128.8425 54.0667 31.0787 172.1657 15 V 4.7150 9.0959 123.5525 60.4702 34.3442 173.8895 16 W 5.5116 9.0437 127.6009 54.3832 32.9570 175.7503 17 S 4.3890 9.3990 117.0615 58.3332 63.2334 175.4510 18 S 4.1990 8.8785 116.1148 61.2140 62.2297 174.7951 19 N 4.4905 8.2177 115.2183 52.8060 37.6023 175.8823 20 G 3.9091 8.3148 107.5892 46.2055 0.0000 174.2469 21 T 4.5754 9.0310 109.6885 61.3985 70.3419 174.5841 22 E 4.4444 8.4907 122.5524 54.2412 31.9098 174.1503 23 N 3.7469 7.9913 122.1840 52.0413 39.6782 173.6487 24 Y 4.3339 8.4814 122.9821 58.0411 38.4444 177.9349 25 S 4.3332 8.6618 122.4740 62.2270 62.9693 177.2168 26 K 4.2527 7.9395 125.5852 59.0713 31.3029 180.8775 27 T 4.2514 7.7233 107.0573 64.0961 69.1404 175.7951 28 F 4.4696 7.8057 118.6772 58.5374 39.5392 177.7656 29 T 3.9240 7.4880 115.1803 67.1466 68.2516 176.3613 30 T 3.8931 7.8515 116.8174 66.6176 68.2843 176.5799 31 Q 3.9551 7.9151 118.3205 58.9473 29.1750 178.4640 32 L 4.1155 8.1969 120.1003 57.9018 41.5103 179.7025 33 V 4.0497 7.8680 118.4717 65.2624 31.8379 178.3465 34 D 4.7035 8.3498 119.9951 53.8978 40.2714 177.2281 *36 G 3.9939 7.9371 104.2745 45.5895 0.0000 173.8409 37 A 4.6897 8.1161 122.9273 51.3924 20.2578 176.7848 38 K 4.4154 8.7368 121.5308 55.4219 34.1000 175.5568 39 V 4.8510 8.3761 126.4840 61.2869 33.2903 174.4060 40 S 4.8861 9.0905 123.4191 56.8351 63.3760 174.4617 41 K 4.3551 8.9330 125.0953 58.3646 32.3667 176.8095 42 T 4.7247 7.5207 107.2442 59.5325 71.7978 174.4317 43 F 4.1336 7.8613 125.3500 56.9917 37.5469 174.4019 44 N 4.8691 7.8760 123.4256 50.6665 39.9070 176.4207 45 K 4.1584 8.4110 116.0200 58.7875 32.3745 178.4666 46 Q 4.1588 8.3862 117.6510 57.8336 28.9955 176.9546 47 V 3.9042 7.5512 118.3380 63.4231 31.5555 175.3959 48 T 4.5983 9.0811 116.5639 62.2334 71.3634 173.7973 49 H 5.0138 8.0185 119.1196 54.0040 33.3797 172.1976 50 V 4.6120 8.8271 123.6567 61.1608 33.7006 174.4207 51 I 4.5642 8.4090 129.9298 60.4605 38.2263 174.7469 52 F 5.2163 9.0651 129.8838 56.1791 42.1427 174.2120 53 K 4.2765 8.4626 127.2160 55.0857 35.2388 175.5831 54 D 4.4642 8.6965 128.5304 55.1572 39.0086 174.6948 55 G 3.4966 6.0948 110.4194 45.3419 0.0000 173.6169 56 Y 4.4482 9.4365 118.5784 56.9710 40.3119 176.1204 57 Q 4.1768 8.9771 124.6525 59.6278 29.1283 179.1298 58 S 4.2813 8.3408 114.6837 61.8462 62.9770 176.6319 59 T 4.2347 8.2385 118.8282 66.1346 68.4412 176.2305 60 W 3.8838 8.4314 130.3033 60.6798 30.6228 177.7309 61 D 4.4521 8.7899 119.1390 57.2782 40.2190 178.7376 62 K 3.8142 8.2242 119.9486 59.3387 32.1799 178.7217 63 A 4.1771 8.2519 121.0747 55.2364 17.8398 179.5927 64 Q 3.7257 7.8592 116.4765 59.0046 28.5895 179.0325 65 K 3.9639 8.0991 119.4969 58.9825 32.3423 178.0693 66 R 4.4214 7.9647 115.2412 55.0938 30.4657 176.6529 67 G 3.7752 7.4862 105.6428 46.2866 0.0000 173.7177 68 V 3.9795 7.5661 119.4785 61.4160 32.6811 175.9664 69 K 3.9287 8.1774 126.6041 56.6056 32.9340 175.7251 70 L 4.8774 8.1581 125.2360 53.3842 42.9671 176.3943 71 V 4.8064 8.4998 116.8323 59.2593 36.0463 175.6079 72 S 4.8483 8.7839 118.1533 57.8686 64.2817 175.7079 73 V 3.5657 8.5153 113.3651 64.4239 31.1441 178.7326 74 L 4.0067 7.7326 117.5805 57.3146 41.3907 179.2817 75 W 2.9457 8.0146 128.5502 59.8662 30.5223 178.0657 76 V 3.1583 7.5606 118.3447 66.0650 30.9282 177.7422 77 E 3.8939 7.9625 118.3486 58.8733 29.4672 178.4925 78 K 3.8161 7.5761 119.9864 59.4157 32.2715 178.5069 79 C 4.3553 7.3267 118.3599 62.0915 27.7128 176.2354 80 R 3.7524 7.5116 120.0053 59.6498 29.5227 178.7221 81 T 3.9858 7.8498 108.2130 64.3035 69.0320 175.9066 82 A 4.2626 8.1423 121.7957 51.4061 19.3354 177.0332 83 G 3.8268 7.5759 103.6467 45.6505 0.0000 173.4128 84 A 4.5136 7.5654 119.1837 50.7413 22.5167 176.4576 85 H 4.3780 8.5224 120.5483 55.2818 28.5061 174.8055 86 I 4.0412 7.7523 126.0795 60.2865 38.1711 175.8307 87 D 4.5717 8.9148 123.7561 54.5840 41.6356 177.0883 88 E 3.9642 9.0928 126.8408 59.2798 29.2587 179.0532 89 S 4.2979 8.2155 113.0329 60.4218 63.2269 175.7572 90 L 4.1724 7.8099 121.4275 55.8292 43.0919 176.6071 91 F 5.0324 8.0575 117.4208 55.1335 38.5922 172.8796 92 P 4.7483 0.0000 0.0000 62.7695 32.4834 177.8658 93 A 4.7378 8.6623 123.2887 51.4502 20.0811 176.3910 94 A 4.8353 8.7658 121.3016 50.3570 21.8196 176.3218 95 N 4.2081 7.9901 118.0232 53.4962 39.0495 174.1368 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 4 P 0.00 4.41 0.00 2.25 2.34 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 5 I 8.24 3.51 1.80 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 1.38 0.62 0.82 0.00 0.00 6 L 7.80 4.74 0.00 1.64 1.62 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.66 4.08 0.00 1.80 1.62 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.30 7.81 8 D 8.91 4.75 0.00 2.91 2.94 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 0.00 0.00 0.00 0.00 9 V 7.67 3.89 2.24 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 0.82 0.00 0.00 1.03 0.00 0.00 10 V 9.08 4.82 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 0.90 0.00 0.00 0.98 0.00 0.00 11 A 9.15 5.19 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 12 Y 8.90 5.01 0.00 2.94 2.56 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 0.00 0.00 0.00 0.00 13 V 7.75 4.46 1.97 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 0.70 0.00 0.00 0.89 0.00 0.00 14 E 9.21 4.56 0.00 1.93 1.79 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 2.43 2.59 0.00 15 V 9.10 4.72 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 1.13 0.00 0.00 0.61 0.00 0.00 16 W 9.04 5.51 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 17 S 9.40 4.39 0.00 3.98 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 0.00 18 S 8.88 4.20 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 19 N 8.22 4.49 0.00 2.88 2.95 0.00 0.00 6.06 7.00 0.00 0.00 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 8.31 3.91 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 0.00 0.00 0.00 21 T 9.03 4.58 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 1.33 0.00 0.00 22 E 8.49 4.44 0.00 2.16 1.64 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 2.19 2.25 0.00 23 N 7.99 3.75 0.00 1.44 1.98 0.00 0.00 7.10 7.54 0.00 0.00 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 Y 8.48 4.33 0.00 3.23 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 25 S 8.66 4.33 0.00 3.76 3.98 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 0.00 0.00 0.00 26 K 7.94 4.25 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.06 7.81 27 T 7.72 4.25 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 1.13 0.00 0.00 28 F 7.81 4.47 0.00 3.21 3.15 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 0.00 29 T 7.49 3.92 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 1.23 0.00 0.00 30 T 7.85 3.89 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 1.19 0.00 0.00 31 Q 7.92 3.96 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 32 L 8.20 4.12 0.00 1.73 1.75 1.00 1.18 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 33 V 7.87 4.05 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 1.15 0.00 0.00 1.02 0.00 0.00 34 D 8.35 4.70 0.00 2.88 2.65 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 0.00 0.00 0.00 *36 G 7.94 3.99 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 0.00 0.00 0.00 37 A 8.12 4.69 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 38 K 8.74 4.42 0.00 1.90 1.71 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 39 V 8.38 4.85 2.13 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 0.89 0.00 0.00 0.98 0.00 0.00 40 S 9.09 4.89 0.00 3.95 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 41 K 8.93 4.36 0.00 1.87 1.95 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.49 7.81 42 T 7.52 4.72 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 F 7.86 4.13 0.00 2.03 2.56 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 0.00 0.00 0.00 0.00 44 N 7.88 4.87 0.00 2.99 2.98 0.00 0.00 6.14 6.83 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 45 K 8.41 4.16 0.00 1.77 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 46 Q 8.39 4.16 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 47 V 7.55 3.90 2.41 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 0.72 0.00 0.00 1.12 0.00 0.00 48 T 9.08 4.60 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 1.32 0.00 0.00 49 H 8.02 5.01 0.00 3.04 3.03 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.83 4.61 1.94 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 1.16 0.00 0.00 0.38 0.00 0.00 51 I 8.41 4.56 1.69 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 1.08 0.47 0.61 0.00 0.00 52 F 9.07 5.22 0.00 3.06 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 53 K 8.46 4.28 0.00 1.78 1.54 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.42 7.81 54 D 8.70 4.46 0.00 2.95 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 55 G 6.09 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.44 4.45 0.00 3.24 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 57 Q 8.98 4.18 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 58 S 8.34 4.28 0.00 4.14 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 59 T 8.24 4.23 5.07 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 0.00 0.00 0.00 1.74 0.00 0.00 60 W 8.43 3.88 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.45 0.00 2.92 2.75 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 62 K 8.22 3.81 0.00 1.66 1.77 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.41 1.02 7.81 63 A 8.25 4.18 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 64 Q 7.86 3.73 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 1.88 2.31 0.00 65 K 8.10 3.96 0.00 1.76 1.97 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 66 R 7.96 4.42 0.00 1.83 1.90 0.00 3.39 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 67 G 7.49 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 V 7.57 3.98 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 0.75 0.00 0.00 1.08 0.00 0.00 69 K 8.18 3.93 0.00 1.51 1.41 0.00 1.26 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.24 7.81 70 L 8.16 4.88 0.00 1.12 1.31 -0.50 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.50 4.81 1.86 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 0.04 0.00 0.00 0.58 0.00 0.00 72 S 8.78 4.85 0.00 4.06 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 0.00 73 V 8.52 3.57 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 0.63 0.00 0.00 0.99 0.00 0.00 74 L 7.73 4.01 0.00 2.09 1.95 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.01 2.95 0.00 3.23 3.25 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 76 V 7.56 3.16 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 1.05 0.00 0.00 1.02 0.00 0.00 77 E 7.96 3.89 0.00 2.11 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 2.36 2.38 0.00 78 K 7.58 3.82 0.00 1.69 1.24 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.49 7.81 79 C 7.33 4.36 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 3.75 0.00 1.86 1.96 0.00 3.04 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 81 T 7.85 3.99 4.21 0.00 0.00 0.00 0.00 0.00 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 82 A 8.14 4.26 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 83 G 7.58 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.57 4.51 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 85 H 8.52 4.38 0.00 3.36 3.29 0.00 5.75 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 86 I 7.75 4.04 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 1.27 0.00 0.00 87 D 8.91 4.57 0.00 2.79 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 88 E 9.09 3.96 0.00 2.00 1.73 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 1.93 1.70 0.00 89 S 8.22 4.30 0.00 4.03 3.99 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 90 L 7.81 4.17 0.00 1.85 1.47 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.06 5.03 0.00 3.13 3.10 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 0.00 0.00 0.00 0.00 92 P 0.00 4.75 0.00 2.14 2.08 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 93 A 8.66 4.74 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.77 4.84 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 95 N 7.99 4.21 0.00 1.44 1.42 0.00 0.00 6.89 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.